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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    27201 LEO
    ZINC000004097365    		 11 C10 H16 O InChI=1S/C10H16O/c1-7(2)8
    -4-5-10(3)9(6-8)11-10/h8-
    9H,1,4-6H2,2-3H3/t8-,9-,1
    0+/m1/s1;
    CCEFMUBVSUDRLG-BBBLOLIVSA-N    		 CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C; CC(
    =C)C1CCC2(C(C1)O2)C; CC(=C)[CH]1CC[C]2(C
    )O[CH]2C1; CC(=C)[C@@H]1CC[C@]2(C)O[C@@H
    ]2C1; O1C2(C)CCC(/C(=C)C)CC12    		 D-LIMONENE 1,2-EPOXIDE
    27202 LEP 0 C6 H15 N2 O4 P InChI=1S/C6H15N2O4P/c1-4(
    2)3-5(6(7)9)8-13(10,11)12
    /h4-5H,3H2,1-2H3,(H2,7,9)
    (H3,8,10,11,12)/t5-/m0/s1;
    LHNDGZQCKJAVRF-YFKPBYRVSA-N    		 CC(C)CC(C(=O)N)NP(=O)(O)O; CC(C)C[C@@H](
    C(=O)N)NP(=O)(O)O; CC(C)C[CH](N[P](O)(O)
    =O)C(N)=O; CC(C)C[C@H](N[P](O)(O)=O)C(N)
    =O; O=P(O)(O)NC(C(=O)N)CC(C)C    		 N~2~-phosphono-L-leucinamide;
    P-Leu-NH2
    27203 LEQ
    ZINC000040539343    		 1 C14 H14 N2 O2 S InChI=1S/C14H14N2O2S/c1-1
    5-8-11(2-3-13(15)17)14(18
    )16-6-4-12-10(9-16)5-7-19
    -12/h2-3,5,7-8H,4,6,9H2,1
    H3;
    PXCRFQLKGNEWBG-UHFFFAOYSA-N    		 CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2; CN1
    C=C(C=CC1=O)C(=O)N2CCc3sccc3C2    		 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one
    27204 LER
    ZINC000000901231    		 9 C4 H8 O4 InChI=1S/C4H8O4/c5-1-3(7)
    4(8)2-6/h3,5-7H,1-2H2/t3-
    /m0/s1;
    UQPHVQVXLPRNCX-VKHMYHEASA-N    		 C(O)C(C(CO)O)=O; C([C@@H](C(=O)CO)O)O; O
    C[CH](O)C(=O)CO; C(C(C(=O)CO)O)O; OC[C@H
    ](O)C(=O)CO    		 L-Erythrulose;
    (3S)-1,3,4-trihydroxybutan-2-one
    27205 LES 1 C10 H16 N4 InChI=1S/C10H16N4/c1-2-5-
    11-8-9(4-1)14-10-12-6-3-7
    -13-10/h3,6-7,9,11H,1-2,4
    -5,8H2,(H,12,13,14)/t9-/m
    0/s1;
    PFXDAYBNPUUKPB-VIFPVBQESA-N    		 C1CC[C@@H](CNC1)Nc2ncccn2; C1CC[CH](CNC1
    )Nc2ncccn2; c1cnc(nc1)NC2CCCCNC2; N(C1CN
    CCCC1)c2ncccn2; c1cnc(nc1)N[C@H]2CCCCNC2    		 (3S)-N-(pyrimidin-2-yl)azepan-3-amine
    27206 LET
    ZINC000058649650    		 0 C16 H26 N2 O8 InChI=1S/C16H26N2O8/c17-1
    3(16(24)25)3-1-2-8-18-11(
    4-6-14(20)21)9-26-10-12(1
    9)5-7-15(22)23/h13H,1-10,
    17H2,(H,20,21)(H,22,23)(H
    ,24,25)/b18-11+/t13-/m0/s
    1;
    CAXNMAPFZIWDHX-FHXOWUIVSA-N    		 C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C
    @@H](C(=O)O)N; N[CH](CCCCN=C(CCC(O)=O)CO
    CC(=O)CCC(O)=O)C(O)=O; N[C@@H](CCCCN=C(C
    CC(O)=O)COCC(=O)CCC(O)=O)C(O)=O; C(CCN=C
    (CCC(=O)O)COCC(=O)CCC(=O)O)CC(C(=O)O)N;
    O=C(COC/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CCC
    (=O)O    		 (Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE;
    2-AMINO-6-[3-CARBOXY-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID
    27207 LEU
    CHEMBL291962
    DB00149
    ZINC000003645145    		 252 C6 H13 N O2 InChI=1S/C6H13NO2/c1-4(2)
    3-5(7)6(8)9/h4-5H,3,7H2,1
    -2H3,(H,8,9)/t5-/m0/s1;
    ROHFNLRQFUQHCH-YFKPBYRVSA-N    		 CC(C)C[C@@H](C(=O)O)N; CC(C)C[C@H](N)C(O
    )=O; CC(C)CC(C(=O)O)N; O=C(O)C(N)CC(C)C;
    CC(C)C[CH](N)C(O)=O    		 LEUCINE
    27208 LEV
    CHEMBL1289601
    DB09078
    ZINC000003816292    		 3 C21 H19 Cl N4 O4 InChI=1S/C21H19ClN4O4/c1-
    29-19-10-17-13(9-14(19)20
    (23)27)18(6-7-24-17)30-12
    -4-5-16(15(22)8-12)26-21(
    28)25-11-2-3-11/h4-11H,2-
    3H2,1H3,(H2,23,27)(H2,25,
    26,28);
    WOSKHXYHFSIKNG-UHFFFAOYSA-N    		 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)
    c2cc1C(N)=O; COc1cc2c(cc1C(=O)N)c(ccn2)O
    c3ccc(c(c3)Cl)NC(=O)NC4CC4; COc2cc1nccc(
    c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl    		 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide;
    lenvatinib
    27209 LEW
    CHEMBL600202
    ZINC000045373802    		 1 C18 H19 N3 O5 InChI=1S/C18H19N3O5/c22-9
    -14-15(23)16(24)17(25)18(
    26-14)21-8-13(19-20-21)12
    -7-3-5-10-4-1-2-6-11(10)1
    2/h1-8,14-18,22-25H,9H2/t
    14-,15-,16+,17-,18-/m1/s1;
    ZQSWMZLNZOWSSB-UYTYNIKBSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O
    )n2cc(nn2)c3cccc4ccccc34; n1nn(cc1c3c2cc
    ccc2ccc3)C4OC(C(O)C(O)C4O)CO; c1ccc2c(c1
    )cccc2c3cn(nn3)C4C(C(C(C(O4)CO)O)O)O; c1
    ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H
    ]([C@@H]([C@H](O4)CO)O)O)O; OC[CH]1O[CH]
    ([CH](O)[CH](O)[CH]1O)n2cc(nn2)c3cccc4cc
    ccc34    		 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole
    27210 LEX 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-5(2)
    3-6(8)7(10)4-9/h5-6,9H,3-
    4,8H2,1-2H3/t6-/m0/s1;
    VEROGSXUMLPXMN-LURJTMIESA-N    		 CC(C)C[C@H](N)C(=O)CO; CC(C)C[CH](N)C(=O
    )CO; O=C(C(N)CC(C)C)CO; CC(C)CC(C(=O)CO)
    N; CC(C)C[C@@H](C(=O)CO)N    		 (3S)-3-amino-1-hydroxy-5-methylhexan-2-one
    27211 LEY
    CHEMBL4921316    		 1 C14 H16 F N3 O InChI=1S/C14H16FN3O/c1-9(
    2)13-16-8-12(18-13)14(19)
    17-7-10-3-5-11(15)6-4-10/
    h3-6,8-9H,7H2,1-2H3,(H,16
    ,18)(H,17,19);
    TURNDZZBBPNUCW-UHFFFAOYSA-N    		 CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F; CC(
    C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2; n2c(C(
    NCc1ccc(cc1)F)=O)cnc2C(C)C    		 N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
    27212 LEZ 1 C21 H24 Cl N3 InChI=1S/C21H24ClN3/c22-1
    8-5-3-4-16(12-18)13-23-19
    -8-10-25(11-9-19)15-17-14
    -24-21-7-2-1-6-20(17)21/h
    1-7,12,14,19,23-24H,8-11,
    13,15H2;
    ZBFRXMWMJAMISF-UHFFFAOYSA-N    		 Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c
    1; c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cc
    cc(c4)Cl    		 ~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine
    27213 LF0
    CHEMBL3287908
    ZINC000095921378    		 9 C25 H27 N O4 InChI=1S/C25H27NO4/c1-15-
    21(23(24(27)28)30-25(2,3)
    4)22(18-9-5-6-10-19(18)26
    -15)17-11-12-20-16(14-17)
    8-7-13-29-20/h5-6,9-12,14
    ,23H,7-8,13H2,1-4H3,(H,27
    ,28)/t23-/m0/s1;
    ZFERZAMPQIXCPM-QHCPKHFHSA-N    		 Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)C(C(=
    O)O)OC(C)(C)C; Cc1c(c(c2ccccc2n1)c3ccc4c
    (c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C; O=C(O
    )C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCC
    c2c3)C; Cc1nc2ccccc2c(c3ccc4OCCCc4c3)c1[
    C@H](OC(C)(C)C)C(O)=O; Cc1nc2ccccc2c(c3c
    cc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O    		 (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
    27214 LF1
    CHEMBL3828191
    ZINC000575623806    		 5 C22 H27 N5 O3 InChI=1S/C22H27N5O3/c1-14
    -13-23-9-10-27(14)17-12-1
    9-18(25(2)22(29)26(19)3)1
    1-16(17)24-21(28)15-7-5-6
    -8-20(15)30-4/h5-8,11-12,
    14,23H,9-10,13H2,1-4H3,(H
    ,24,28)/t14-/m1/s1;
    FQWDVNSBYDXPIO-CQSZACIVSA-N    		 CC1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(
    =O)N3C)C; COc1ccccc1C(=O)Nc2cc3N(C)C(=O)
    N(C)c3cc2N4CCNC[C@H]4C; COc1ccccc1C(=O)N
    c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[CH]4C; C[C
    @@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(
    C(=O)N3C)C    		 N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide
    27215 LF2
    CHEMBL3259895
    ZINC000098209106    		 2 C22 H21 Br Cl N O3 InChI=1S/C22H21BrClNO3/c1
    -12-18(20(21(26)27)28-22(
    2,3)4)19(13-5-8-15(24)9-6
    -13)16-11-14(23)7-10-17(1
    6)25-12/h5-11,20H,1-4H3,(
    H,26,27)/t20-/m0/s1;
    UXIVWMINNPGARX-FQEVSTJZSA-N    		 Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)C(C(=
    O)O)OC(C)(C)C; Cc1c(c(c2cc(ccc2n1)Br)c3c
    cc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C; O=C(O
    )C(OC(C)(C)C)c1c(c2cc(Br)ccc2nc1C)c3ccc(
    Cl)cc3; Cc1nc2ccc(Br)cc2c(c3ccc(Cl)cc3)c
    1[C@H](OC(C)(C)C)C(O)=O; Cc1nc2ccc(Br)cc
    2c(c3ccc(Cl)cc3)c1[CH](OC(C)(C)C)C(O)=O    		 (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
    27216 LF3 1 C16 H14 Cl N3 O3 InChI=1S/C16H14ClN3O3/c1-
    10-4-5-18-7-12(10)19-15(2
    1)8-20-13-6-11(17)2-3-14(
    13)23-9-16(20)22/h2-7H,8-
    9H2,1H3,(H,19,21);
    SHDRXRMTUQTXFE-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl; Cc
    1ccncc1NC(=O)CN2C(=O)COc3ccc(Cl)cc23; Cc
    1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O    		 2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide
    27217 LF4 1 C14 H16 F N3 O InChI=1S/C14H16FN3O/c1-9(
    2)12-7-13(18-17-12)14(19)
    16-8-10-3-5-11(15)6-4-10/
    h3-7,9H,8H2,1-2H3,(H,16,1
    9)(H,17,18);
    JIIFDIPYTRJFHZ-UHFFFAOYSA-N    		 n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O; CC(C
    )c1cc([nH]n1)C(=O)NCc2ccc(F)cc2; CC(C)c1
    cc([nH]n1)C(=O)NCc2ccc(cc2)F    		 N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
    27218 LF5 5 C12 H13 Cl N2 O S InChI=1S/C12H13ClN2OS/c1-
    6(2)16-9-4-3-8(13)7-5-10(
    12(14)15)17-11(7)9/h3-6H,
    1-2H3,(H3,14,15);
    RFZOPKHHJPMIJW-UHFFFAOYSA-N    		 [H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N; C
    C(C)Oc1ccc(c2c1sc(c2)C(=N)N)Cl; CC(C)Oc1
    ccc(Cl)c2cc(sc12)C(N)=N    		 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
    27219 LF6
    ZINC000195531027    		 3 C9 H15 N3 O S InChI=1S/C9H15N3OS/c1-6-1
    0-9(14-12-6)11-8-4-2-3-7(
    8)5-13/h7-8,13H,2-5H2,1H3
    ,(H,10,11,12)/t7-,8+/m0/s
    1;
    QUKZXHGECCPEIZ-JGVFFNPUSA-N    		 CC1=NC(SN1)=N[C@@H]2CCC[C@H]2CO; CC1=N/C
    (=N/[C@@H]2CCC[C@H]2CO)/SN1; CC1=NC(SN1)
    =N[CH]2CCC[CH]2CO; CC1=NC(=NC2CCCC2CO)SN
    1; CC1=N\C(=N\C2CCCC2CO)SN1    		 {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol
    27220 LF7 4 C17 H27 N3 O2 InChI=1S/C17H27N3O2/c18-9
    -14-2-1-3-20(14)15(21)10-
    19-16-5-12-4-13(6-16)8-17
    (22,7-12)11-16/h9,12-14,1
    8-19,22H,1-8,10-11H2/b18-
    9+/t12-,13+,14-,16+,17-/m
    0/s1;
    LUWVSODOPBYGON-FEZPVXCISA-N    		 [H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C
    @@H](C2)CC(C4)(C3)O; OC12C[C@H]3C[C@@H](
    C1)CC(C3)(C2)NCC(=O)N4CCC[C@H]4C=N; C1CC
    (N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C=N
    ; OC12C[CH]3C[CH](C1)CC(C3)(C2)NCC(=O)N4
    CCC[CH]4C=N; O=C(N1C(CCC1)\C=N)CNC24CC3C
    C(C2)CC(C3)(O)C4    		 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne;
    Vildagliptin, bound form
    27221 LF8
    CHEMBL3287924
    ZINC000098209107    		 1 C27 H30 Cl N O3 InChI=1S/C27H30ClNO3/c1-1
    5-8-9-20(14-16(15)2)24-17
    (3)22(19-10-12-21(28)13-1
    1-19)23(18(4)29-24)25(26(
    30)31)32-27(5,6)7/h8-14,2
    5H,1-7H3,(H,30,31)/t25-/m
    0/s1;
    DQQCEFPUGHRAEE-VWLOTQADSA-N    		 Cc1ccc(cc1C)c2c(c(c(c(n2)C)C(C(=O)O)OC(C
    )(C)C)c3ccc(cc3)Cl)C; O=C(O)C(OC(C)(C)C)
    c1c(c(c(nc1C)c2ccc(c(c2)C)C)C)c3ccc(Cl)c
    c3; Cc1ccc(cc1C)c2nc(C)c([C@H](OC(C)(C)C
    )C(O)=O)c(c2C)c3ccc(Cl)cc3; Cc1ccc(cc1C)
    c2nc(C)c([CH](OC(C)(C)C)C(O)=O)c(c2C)c3c
    cc(Cl)cc3; Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C
    @@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C    		 (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
    27222 LF9
    ZINC000098209108    		 2 C26 H26 Cl N3 O3 InChI=1S/C26H26ClN3O3/c1-
    14-20(16-9-7-6-8-10-16)21
    (23(25(31)32)33-26(3,4)5)
    15(2)28-22(14)24-29-18-12
    -11-17(27)13-19(18)30-24/
    h6-13,23H,1-5H3,(H,29,30)
    (H,31,32)/t23-/m0/s1;
    CTTJHLOYHQRQKO-QHCPKHFHSA-N    		 Cc1nc(c(C)c(c2ccccc2)c1[CH](OC(C)(C)C)C(
    O)=O)c3[nH]c4ccc(Cl)cc4n3; O=C(O)C(OC(C)
    (C)C)c2c(c1ccccc1)c(c(nc2C)c4nc3cc(Cl)cc
    c3n4)C; Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl
    )C)C(C(=O)O)OC(C)(C)C)c4ccccc4; Cc1c(c(c
    (nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O
    )OC(C)(C)C)c4ccccc4; Cc1nc(c(C)c(c2ccccc
    2)c1[C@H](OC(C)(C)C)C(O)=O)c3[nH]c4ccc(C
    l)cc4n3    		 (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
    27223 LFA
    ZINC000015638542    		 0 C20 H42 InChI=1S/C20H42/c1-3-5-7-
    9-11-13-15-17-19-20-18-16
    -14-12-10-8-6-4-2/h3-20H2
    ,1-2H3;
    CBFCDTFDPHXCNY-UHFFFAOYSA-N    		 C(CCCCCCCCCCCCCCCCC)CC; CCCCCCCCCCCCCCCC
    CCCC    		 EICOSANE;
    LIPID FRAGMENT
    27224 LFB 1 C10 H10 N2 O S InChI=1S/C10H10N2OS/c1-13
    -7-4-2-3-6-5-8(10(11)12)1
    4-9(6)7/h2-5H,1H3,(H3,11,
    12);
    ZWUNRCDOCDRURS-UHFFFAOYSA-N    		 COc1cccc2c1sc(c2)C(=N)N; COc1cccc2cc(sc1
    2)C(N)=N; [H]/N=C(\c1cc2cccc(c2s1)OC)/N    		 7-methoxy-1-benzothiophene-2-carboximidamide
    27225 LFC
    ZINC000000901090    		 3 C6 H12 O6 InChI=1S/C6H12O6/c1-2(7)3
    (8)4(9)5(10)6(11)12/h2-5,
    7-10H,1H3,(H,11,12)/t2-,3
    +,4+,5-/m0/s1;
    NBFWIISVIFCMDK-RSJOWCBRSA-N    		 C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O; CC(
    C(C(C(C(=O)O)O)O)O)O; C[C@H](O)[C@@H](O)
    [C@@H](O)[C@H](O)C(O)=O; C[C@@H]([C@H]([
    C@H]([C@@H](C(=O)O)O)O)O)O; O=C(O)C(O)C(
    O)C(O)C(O)C    		 6-deoxy-L-galactonic acid
    27226 LFD
    CHEMBL3318325
    ZINC000098209109    		 2 C28 H25 Cl4 N5 O2 InChI=1S/C28H25Cl4N5O2/c2
    9-19-1-7-23(25(31)15-19)2
    7(17-35-10-9-33-18-35)39-
    28(38)34-20-2-4-21(5-3-20
    )36-11-13-37(14-12-36)22-
    6-8-24(30)26(32)16-22/h1-
    10,15-16,18,27H,11-14,17H
    2,(H,34,38)/t27-/m0/s1;
    RKYWJGOKHMLHHS-MHZLTWQESA-N    		 c1cc(ccc1NC(=O)OC(Cn2ccnc2)c3ccc(cc3Cl)C
    l)N4CCN(CC4)c5ccc(c(c5)Cl)Cl; Clc1ccc([C
    @H](Cn2ccnc2)OC(=O)Nc3ccc(cc3)N4CCN(CC4)
    c5ccc(Cl)c(Cl)c5)c(Cl)c1; Clc1ccc(cc1Cl)
    N5CCN(c2ccc(cc2)NC(=O)OC(c3ccc(Cl)cc3Cl)
    Cn4ccnc4)CC5; c1cc(ccc1NC(=O)O[C@@H](Cn2
    ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c
    5)Cl)Cl; Clc1ccc([CH](Cn2ccnc2)OC(=O)Nc3
    ccc(cc3)N4CCN(CC4)c5ccc(Cl)c(Cl)c5)c(Cl)
    c1    		 (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate
    27227 LFE 4 C54 H70 Cl N9 O11 S2 InChI=1S/C54H70ClN9O11S2/
    c1-31-33(3)77-53-46(31)47
    (35-10-12-38(55)13-11-35)
    59-41(50-62-61-34(4)64(50
    )53)24-44(66)58-39-27-72-
    17-14-70-16-19-74-29-45(6
    7)60-49(54(5,6)7)52(69)63
    -26-40(65)23-42(63)51(68)
    56-25-37-9-8-36(48-32(2)5
    7-30-76-48)22-43(37)75-21
    -20-71-15-18-73-28-39/h8-
    13,22,30,39-42,47,49,59,6
    5H,14-21,23-29H2,1-7H3,(H
    ,56,68)(H,58,66)(H,60,67)
    /t39-,40+,41-,42-,47-,49+
    /m0/s1;
    VFKKFUVFBVEDJY-NXSSZGKESA-N    		 Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NC4COC
    COCCOCC(=O)NC(C(=O)N5CC(CC5C(=O)NCc6ccc(
    cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc
    (cc8)Cl)C; Cc1c(sc-2c1[C@@H](N[C@H](c3n2
    c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H
    ](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6
    OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc
    8)Cl)C; Cc1sc2n3c(C)nnc3[CH](CC(=O)N[CH]
    4COCCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH
    ]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7scnc7C)C(C
    )(C)C)N[CH](c8ccc(Cl)cc8)c2c1C; Cc1sc2n3
    c(C)nnc3[C@H](CC(=O)N[C@H]4COCCOCCOCC(=O
    )N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc6
    ccc(cc6OCCOCCOC4)c7scnc7C)C(C)(C)C)N[C@@
    H](c8ccc(Cl)cc8)c2c1C    		 ~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
    27228 LFF
    CHEMBL4460840
    ZINC000014976267    		 2 C26 H35 N2 O6 P InChI=1S/C26H35N2O6P/c1-1
    8(2)14-23(27-19(3)29)25(3
    0)28-24(16-21-12-8-5-9-13
    -21)35(33,34)17-22(26(31)
    32)15-20-10-6-4-7-11-20/h
    4-13,18,22-24H,14-17H2,1-
    3H3,(H,27,29)(H,28,30)(H,
    31,32)(H,33,34)/t22-,23+,
    24-/m1/s1;
    GRMCSCYPDCPNRA-TZRRMPRUSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O
    )(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C; CC
    (C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[P
    ](O)(=O)C[CH](Cc2ccccc2)C(O)=O; CC(C)CC(
    C(=O)NC(Cc1ccccc1)P(=O)(CC(Cc2ccccc2)C(=
    O)O)O)NC(=O)C; CC(C)C[C@H](NC(C)=O)C(=O)
    N[C@@H](Cc1ccccc1)[P](O)(=O)C[C@@H](Cc2c
    cccc2)C(O)=O; O=C(O)C(Cc1ccccc1)CP(=O)(O
    )C(NC(=O)C(NC(=O)C)CC(C)C)Cc2ccccc2    		 (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid;
    ACETYL-LEU-PHE-Y(PO2CH2)-PHE-OH
    27229 LFG 2 C12 H19 N3 O InChI=1S/C12H19N3O/c1-2-4
    -6-10(5-3-1)13-12-15-14-1
    1(16-12)9-7-8-9/h9-10H,1-
    8H2,(H,13,15);
    JVKMRHJNTQEBIV-UHFFFAOYSA-N    		 C1CCCC(CC1)Nc2nnc(o2)C3CC3; C1CCCC(CC1)N
    c2oc(nn2)C3CC3; n2nc(NC1CCCCCC1)oc2C3CC3    		 N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
    27230 LFH 1 C7 H5 Fe2 N3 O3 S3 InChI=1S/C2H6NS2.2CN.3CO.
    2Fe.H2S/c4-1-3-2-5;5*1-2;
    ;;/h3-4H,1-2H2;;;;;;;;1H2
    /q;;;;2*+1;;+1;/p-2;
    VVXMKEXCTCBOII-UHFFFAOYSA-L    		 S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C
    #N)C#[O+]; C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O
    )(C#N)(C#[O+])[S])(C#N)C#[O+]    		 dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide
    27231 LFI 1 C12 H18 Br3 N3 O3 InChI=1S/C12H18Br3N3O3/c1
    3-4-1-10(19)16-7-17(11(20
    )2-5-14)9-18(8-16)12(21)3
    -6-15/h1-9H2;
    UYNTZRFVDTZUQI-UHFFFAOYSA-N    		 C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr;
    BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr    		 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one;
    Chemical crosslinker
    27232 LFJ 1 C15 H16 N2 O4 InChI=1S/C15H16N2O4/c1-11
    (18)16-5-2-6-17(8-7-16)15
    (19)12-3-4-13-14(9-12)21-
    10-20-13/h2-5,9H,6-8,10H2
    ,1H3;
    BVVWUNAJSHTQLD-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3;
    CC(=O)N1CCN(CC=C1)C(=O)c2ccc3OCOc3c2; N1
    (CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3    		 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one
    27233 LFK 2 C14 H10 O5 InChI=1S/C14H10O5/c15-11-
    5-1-4-10(7-11)14(18)19-12
    -6-2-3-9(8-12)13(16)17/h1
    -8,15H,(H,16,17);
    IZVHEBMVWHVUFW-UHFFFAOYSA-N    		 c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O; OC(
    =O)c1cccc(OC(=O)c2cccc(O)c2)c1    		 3-(3-hydroxyphenyl)carbonyloxybenzoic acid
    27234 LFL
    CHEMBL3039507
    DB12713
    ZINC000095641922    		 1 C21 H25 Cl O5 S InChI=1S/C21H25ClO5S/c1-3
    -26-15-7-4-12(5-8-15)10-1
    4-11-13(6-9-16(14)22)20-1
    8(24)17(23)19(25)21(27-20
    )28-2/h4-9,11,17-21,23-25
    H,3,10H2,1-2H3/t17-,18-,1
    9+,20+,21-/m1/s1;
    QKDRXGFQVGOQKS-CRSSMBPESA-N    		 CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([
    C@H]([C@@H]([C@H](O3)SC)O)O)O; CCOc1ccc(
    Cc2cc(ccc2Cl)[C@@H]3O[C@H](SC)[C@@H](O)[
    C@H](O)[C@H]3O)cc1; CCOc1ccc(cc1)Cc2cc(c
    cc2Cl)C3C(C(C(C(O3)SC)O)O)O; CCOc1ccc(Cc
    2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[
    CH]3O)cc1    		 (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol;
    Sotagliflozin
    27235 LFM
    CHEMBL4961169    		 1 C14 H14 F N3 O2 InChI=1S/C14H14FN3O2/c15-
    11-4-2-10(3-5-11)8-16-13(
    19)12-9-17-18-6-1-7-20-14
    (12)18/h2-5,9H,1,6-8H2,(H
    ,16,19);
    GWOXVNOLEPNQGX-UHFFFAOYSA-N    		 c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F; N(Cc1cc
    c(F)cc1)C(=O)c2cnn3c2OCCC3; Fc1ccc(CNC(=
    O)c2cnn3CCCOc23)cc1    		 N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
    27236 LFN
    CHEMBL1233985
    DB04726
    ZINC000000391159    		 1 C13 H12 N4 O2 InChI=1S/C13H12N4O2/c1-6-
    4-8-9(5-7(6)2)17(3)11-10(
    14-8)12(18)16-13(19)15-11
    /h4-5H,1-3H3,(H,16,18,19);
    KPDQZGKJTJRBGU-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C; C
    N1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13; O=
    C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C    		 LUMIFLAVIN;
    7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE
    27237 LFO
    ZINC000004054174    		 7 C11 H12 N2 O InChI=1S/C11H12N2O/c1-12-
    11(14)9-7-13(2)10-6-4-3-5
    -8(9)10/h3-7H,1-2H3,(H,12
    ,14);
    OHXYWSIWHXTWCT-UHFFFAOYSA-N    		 CNC(=O)c1cn(c2c1cccc2)C; CNC(=O)c1cn(C)c
    2ccccc12; CNC(=O)c1cn(C)c2ccccc21    		 N,1-dimethyl-1H-indole-3-carboxamide
    27238 LFP 1 C12 H11 Cl F N3 O InChI=1S/C12H11ClFN3O/c1-
    17-11(13)10(7-16-17)12(18
    )15-6-8-2-4-9(14)5-3-8/h2
    -5,7H,6H2,1H3,(H,15,18);
    HYVAEYATDXVPMU-UHFFFAOYSA-N    		 Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl; Cn1ncc
    (C(=O)NCc2ccc(F)cc2)c1Cl; n2(c(c(C(NCc1c
    cc(cc1)F)=O)cn2)Cl)C    		 5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
    27239 LFQ 2 C12 H12 N2 S InChI=1S/C12H12N2S/c1-8-1
    0(7-11(15-8)12(13)14)9-5-
    3-2-4-6-9/h2-7H,1H3,(H3,1
    3,14);
    HUQORXRDKCJHHJ-UHFFFAOYSA-N    		 Cc1sc(cc1c2ccccc2)C(N)=N; [H]/N=C(/c1cc(
    c(s1)C)c2ccccc2)\N; Cc1c(cc(s1)C(=N)N)c2
    ccccc2    		 5-methyl-4-phenyl-thiophene-2-carboximidamide
    27240 LFR
    DB04173    		 3 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
    -/m0/s1;
    RFSUNEUAIZKAJO-AZGQCCRYSA-N    		 OC1C(O)C(OC1(O)CO)CO; 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]1O;
    C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)
    O    		 beta-L-fructofuranose;
    beta-L-fructose;
    L-fructose;
    fructose;
    BETA-L-FRUCTO-FURANOSE
    27241 LFS
    CHEMBL3318310
    ZINC000073387306    		 1 C21 H22 F N3 O2 InChI=1S/C21H22FN3O2/c1-1
    5(2)16-5-9-19(10-6-16)24-
    21(26)27-20(13-25-12-11-2
    3-14-25)17-3-7-18(22)8-4-
    17/h3-12,14-15,20H,13H2,1
    -2H3,(H,24,26)/t20-/m1/s1;
    OMXCIRVMHPGVCD-HXUWFJFHSA-N    		 CC(C)c1ccc(NC(=O)O[CH](Cn2ccnc2)c3ccc(F)
    cc3)cc1; CC(C)c1ccc(NC(=O)O[C@H](Cn2ccnc
    2)c3ccc(F)cc3)cc1; CC(C)c1ccc(cc1)NC(=O)
    O[C@H](Cn2ccnc2)c3ccc(cc3)F; CC(C)c1ccc(
    cc1)NC(=O)OC(Cn2ccnc2)c3ccc(cc3)F; Fc1cc
    c(cc1)C(OC(=O)Nc2ccc(cc2)C(C)C)Cn3ccnc3    		 (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate
    27242 LFT
    CHEMBL2385091
    ZINC000073199308    		 1 C21 H22 Cl N3 O2 InChI=1S/C21H22ClN3O2/c1-
    15(2)16-5-9-19(10-6-16)24
    -21(26)27-20(13-25-12-11-
    23-14-25)17-3-7-18(22)8-4
    -17/h3-12,14-15,20H,13H2,
    1-2H3,(H,24,26)/t20-/m1/s
    1;
    JBMGTRUHKILUNG-HXUWFJFHSA-N    		 CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3c
    cc(cc3)Cl; CC(C)c1ccc(NC(=O)O[CH](Cn2ccn
    c2)c3ccc(Cl)cc3)cc1; CC(C)c1ccc(cc1)NC(=
    O)OC(Cn2ccnc2)c3ccc(cc3)Cl; CC(C)c1ccc(N
    C(=O)O[C@H](Cn2ccnc2)c3ccc(Cl)cc3)cc1; C
    lc1ccc(cc1)C(OC(=O)Nc2ccc(cc2)C(C)C)Cn3c
    cnc3    		 (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate
    27243 LFU
    ZINC000013511460    		 1 C5 H12 N2 O InChI=1S/C5H12N2O/c1-5(8)
    7-4-2-3-6/h2-4,6H2,1H3,(H
    ,7,8);
    YFZBPSXRYCOKCW-UHFFFAOYSA-N    		 CC(=O)NCCCN ~{N}-(3-azanylpropyl)ethanamide
    27244 LFV
    CHEMBL4128885    		 2 C28 H19 Cl2 F4 N5 O3 InChI=1S/C28H19Cl2F4N5O3/
    c29-18-5-7-20(22(30)11-18
    )24(13-39-10-9-35-15-39)3
    6-25(40)16-1-3-17(4-2-16)
    26-37-38-27(42-26)21-8-6-
    19(12-23(21)31)41-14-28(3
    2,33)34/h1-12,15,24H,13-1
    4H2,(H,36,40)/t24-/m0/s1;
    PFDAIZREODDAGQ-DEOSSOPVSA-N    		 Fc1cc(OCC(F)(F)F)ccc1c2oc(nn2)c3ccc(cc3)
    C(=O)N[C@@H](Cn4ccnc4)c5ccc(Cl)cc5Cl; c1
    cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(
    =O)NC(Cn4ccnc4)c5ccc(cc5Cl)Cl; c5(ccc(c1
    oc(nn1)c4ccc(C(=O)NC(c2ccc(Cl)cc2Cl)Cn3c
    cnc3)cc4)c(c5)F)OCC(F)(F)F; Fc1cc(OCC(F)
    (F)F)ccc1c2oc(nn2)c3ccc(cc3)C(=O)N[CH](C
    n4ccnc4)c5ccc(Cl)cc5Cl; c1cc(ccc1c2nnc(o
    2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4
    ccnc4)c5ccc(cc5Cl)Cl    		 N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
    27245 LFW 13 C17 H11 I O4 InChI=1S/C17H11IO4/c1-10-
    5-6-15-11(7-10)8-14(17(20
    )22-15)16(19)21-13-4-2-3-
    12(18)9-13/h2-9H,1H3;
    OUKFXYLCMXELAC-UHFFFAOYSA-N    		 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)
    I; Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)
    c3    		 (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
    27246 LFX
    CHEMBL33
    DB01137
    ZINC000000538273    		 3 C18 H20 F N3 O4 InChI=1S/C18H20FN3O4/c1-1
    0-9-26-17-14-11(16(23)12(
    18(24)25)8-22(10)14)7-13(
    19)15(17)21-5-3-20(2)4-6-
    21/h7-8,10H,3-6,9H2,1-2H3
    ,(H,24,25)/t10-/m0/s1;
    GSDSWSVVBLHKDQ-JTQLQIEISA-N    		 C[CH]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=C
    N1c24)C(O)=O; C[C@H]1COc2c(N3CCN(C)CC3)c
    (F)cc4C(=O)C(=CN1c24)C(O)=O; CC1COc2c3c(
    cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O;
    O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)
    CC3)c(F)c4)C; C[C@H]1COc2c3c(cc(c2N4CCN(
    CC4)C)F)C(=O)C(=CN31)C(=O)O    		 (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
    Levofloxacin
    27247 LFY
    CHEMBL5027263    		 1 C13 H14 F N3 O InChI=1S/C13H14FN3O/c1-2-
    17-8-12(16-9-17)13(18)15-
    7-10-3-5-11(14)6-4-10/h3-
    6,8-9H,2,7H2,1H3,(H,15,18
    );
    IQYMOCPZCUBALG-UHFFFAOYSA-N    		 CCn1cc(nc1)C(=O)NCc2ccc(cc2)F; n2(cnc(C(
    NCc1ccc(F)cc1)=O)c2)CC; CCn1cnc(c1)C(=O)
    NCc2ccc(F)cc2    		 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide
    27248 LFZ
    CHEMBL4451817    		 1 C16 H10 F6 O2 InChI=1S/C16H10F6O2/c17-1
    5(18,19)12-6-11(7-13(8-12
    )16(20,21)22)10-3-1-9(2-4
    -10)5-14(23)24/h1-4,6-8H,
    5H2,(H,23,24);
    QXUJSELRLOECDC-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F
    )(F)F; c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(
    F)F)C(F)(F)F    		 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid
    27249 LG 0 C10 H14 N5 O8 P InChI=1/C10H14N5O8P/c11-1
    0-13-7-4(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,(H2,19,20,21
    )(H3,11,13,14,18)/t3-,5-,
    6-,9-/m0/s1/f/h14,19-20H,
    11H2;
    RQFCJASXJCIDSX-XJTIDQAEDL    		 c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO
    P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2
    C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O; NC1=Nc2n(cnc2C(=O)N1)[C@H]3O[C@@
    H](CO[P](O)(O)=O)[C@H](O)[C@@H]3O; O=C1c
    2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
    ; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=
    C(NC2=O)N    		 L-GUANOSINE-5'-MONOPHOSPHATE
    27250 LG0
    CHEMBL461091
    ZINC000024980026    		 1 C28 H29 F3 N4 O2 InChI=1S/C28H29F3N4O2/c1-
    37-22-10-8-21(9-11-22)35-
    24-23(25(32-35)28(29,30)3
    1)12-17-34(26(24)36)20-6-
    4-19(5-7-20)27(13-14-27)1
    8-33-15-2-3-16-33/h4-11H,
    2-3,12-18H2,1H3;
    VNHRSGCBTKUBAX-UHFFFAOYSA-N    		 COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O
    )c4ccc(cc4)C5(CC5)CN6CCCC6; COc1ccc(cc1)
    n2nc(c3CCN(C(=O)c23)c4ccc(cc4)C5(CC5)CN6
    CCCC6)C(F)(F)F; FC(F)(F)c6nn(c1ccc(OC)cc
    1)c5C(=O)N(c2ccc(cc2)C3(CC3)CN4CCCC4)CCc
    56    		 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
    27251 LG1
    CHEMBL1181174
    ZINC000001551456    		 0 C22 H17 F2 N2 InChI=1S/C22H17F2N2/c1-12
    -8-16-15-10-13(23)4-6-18(
    15)26(3)22-17-11-14(24)5-
    7-19(17)25(2)20(9-12)21(1
    6)22/h4-11H,1-3H3/q+1;
    FJUYVGXXNUNWDT-UHFFFAOYSA-N    		 CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[
    n+]3C; Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c
    5c4cc(cc5)F)C)C)F; Fc5cc4c2c1c(cc(cc1c3c
    ([n+]2C)ccc(F)c3)C)N(c4cc5)C    		 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
    27252 LG2
    CHEMBL288436
    DB01941
    ZINC000003873121    		 8 C24 H29 N O2 InChI=1S/C24H29NO2/c1-15-
    12-18-19(23(4,5)9-8-22(18
    ,2)3)13-17(15)24(10-11-24
    )20-7-6-16(14-25-20)21(26
    )27/h6-7,12-14H,8-11H2,1-
    5H3,(H,26,27);
    SLXTWXQUEZSSTJ-UHFFFAOYSA-N    		 Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC
    2(C)C)(C)C; Cc1cc2c(cc1C3(CC3)c4ccc(cn4)
    C(O)=O)C(C)(C)CCC2(C)C; O=C(O)c1cnc(cc1)
    C4(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC4    		 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID
    27253 LG3
    CHEMBL1233987
    ZINC000001661391    		 13 C4 H6 N4 InChI=1S/C4H6N4/c5-3-1-2-
    7-4(6)8-3/h1-2H,(H4,5,6,7
    ,8);
    YAAWASYJIRZXSZ-UHFFFAOYSA-N    		 c1cnc(nc1N)N; n1c(N)ccnc1N; Nc1ccnc(N)n1 PYRIMIDINE-2,4-DIAMINE
    27254 LG4
    CHEMBL61990
    ZINC000000164623    		 3 C6 H8 N2 InChI=1S/C6H8N2/c1-5-2-3-
    6(7)8-4-5/h2-4H,1H3,(H2,7
    ,8);
    CMBSSVKZOPZBKW-UHFFFAOYSA-N    		 Cc1ccc(N)nc1; Cc1ccc(nc1)N; n1cc(ccc1N)C 5-METHYLPYRIDIN-2-AMINE;
    2-AMINO-5-PICOLINE
    27255 LG5
    ZINC000103548388    		 2 C6 H10 N2 InChI=1S/C6H10N2/c1-8-4-2
    -3-6(7)5-8/h2-3,5H,4,7H2,
    1H3;
    NJIDBKRVRJXCLL-UHFFFAOYSA-N    		 NC=1C=CCN(C=1)C; CN1CC=CC(=C1)N 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE;
    1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE
    27256 LG6
    DB01655
    ZINC000002047359    		 4 C6 H13 O10 P InChI=1S/C6H13O10P/c7-2(1
    -16-17(13,14)15)3(8)4(9)5
    (10)6(11)12/h2-5,7-10H,1H
    2,(H,11,12)(H2,13,14,15)/
    t2-,3+,4-,5-/m0/s1;
    BIRSGZKFKXLSJQ-QTBDOELSSA-N    		 C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)
    O)O)OP(=O)(O)O; O=P(O)(O)OCC(O)C(O)C(O)C
    (O)C(=O)O; C(C(C(C(C(C(=O)O)O)O)O)O)OP(=
    O)(O)O; O[C@@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H](O)[C@H](O)C(O)=O; O[CH](CO[P](O)(O)
    =O)[CH](O)[CH](O)[CH](O)C(O)=O    		 L-GULURONIC ACID 6-PHOSPHATE
    27257 LG7
    CHEMBL425646
    DB08087
    ZINC000014967191    		 1 C17 H13 N3 O3 InChI=1S/C17H13N3O3/c18-9
    -10-5-6-13(12-4-2-1-3-11(
    10)12)20-16(22)15-14(21)7
    -8-19(15)17(20)23/h1-6,14
    -15,21H,7-8H2/t14-,15+/m1
    /s1;
    NHBIWLQQJPSMNP-CABCVRRESA-N    		 O[C@@H]1CCN2[C@@H]1C(=O)N(C2=O)c3ccc(C#N
    )c4ccccc34; N#Cc1c4c(c(cc1)N2C(=O)C3N(C2
    =O)CCC3O)cccc4; c1ccc2c(c1)c(ccc2N3C(=O)
    [C@@H]4[C@@H](CCN4C3=O)O)C#N; O[CH]1CCN2
    [CH]1C(=O)N(C2=O)c3ccc(C#N)c4ccccc34; c1
    ccc2c(c1)c(ccc2N3C(=O)C4C(CCN4C3=O)O)C#N    		 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE
    27258 LG8
    ZINC000103548401    		 2 C28 H28 N4 O2 InChI=1S/C28H27N4O2/c1-30
    (2)15-17-12-13-32-22-11-7
    -5-9-19(22)24(23(32)14-17
    )26-25(27(33)29-28(26)34)
    20-16-31(3)21-10-6-4-8-18
    (20)21/h4-11,16-17H,12-15
    H2,1-3H3/q+1/p+1/b25-20+,
    26-24+/t17-/m1/s1;
    OYDDKWPGAIBVKO-JQQWWDHGSA-O    		 C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H
    ](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6; O=C3C
    (=C1\C=[N+](c2ccccc12)C)C(\C(=O)N3)=C5\c
    4ccccc4[N+]6=C5CC(CN(C)C)CC6; C[N+]1=CC(
    =C2C(=C3c4ccccc4[N+]5=C3CC(CC5)CN(C)C)C(
    =O)NC2=O)c6c1cccc6; CN(C)C[CH]1CC[N+]2=C
    (C1)C(c3ccccc23)=C4C(=O)NC(=O)C4=C5C=[N+
    ](C)c6ccccc56; CN(C)C[C@@H]1CC[N+]2=C(C1
    )\C(c3ccccc23)=C/4C(=O)NC(=O)C/4=C5/C=[N
    +](C)c6ccccc56    		 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE
    27259 LG9
    ZINC000058649776    		 4 C9 H17 N O5 InChI=1S/C9H17NO5/c11-2-4
    -6(13)1-10-5(3-12)8(14)9(
    15)7(4)10/h4-9,11-15H,1-3
    H2/t4-,5-,6+,7-,8-,9-/m1/
    s1;
    WQQQECZSNNTNJJ-FJYMVOSHSA-N    		 OC[CH]1[CH](O)CN2[CH](CO)[CH](O)[CH](O)[
    CH]12; C1C(C(C2N1C(C(C2O)O)CO)CO)O; C1[C
    @@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@
    H]2O)O)CO)CO)O; OC2C(C1N(C(C(O)C1O)CO)C2
    )CO; OC[C@@H]1[C@@H](O)CN2[C@H](CO)[C@@H
    ](O)[C@H](O)[C@@H]12    		 (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL;
    CASUARINE ANALOGUE
    27260 LGA
    CHEMBL88580
    ZINC000000967472    		 14 C4 H5 N3 InChI=1S/C4H5N3/c5-4-6-2-
    1-3-7-4/h1-3H,(H2,5,6,7);
    LJXQPZWIHJMPQQ-UHFFFAOYSA-N    		 Nc1ncccn1; n1cccnc1N; c1cnc(nc1)N PYRIMIDIN-2-AMINE
    27261 LGB
    CHEMBL484726
    DB08088
    ZINC000013982536    		 1 C15 H13 Cl F3 N3 O2 InChI=1S/C15H13ClF3N3O2/c
    1-7-9(3-2-8(6-20)11(7)16)
    21-14-22-5-4-10(23)12(22)
    13(24-14)15(17,18)19/h2-3
    ,10,12-13,23H,4-5H2,1H3/b
    21-14-/t10-,12-,13+/m0/s1;
    KALFKWQLCWAXJO-RNSKTZJQSA-N    		 Cc1c(ccc(c1Cl)C#N)N=C2N3CCC(C3C(O2)C(F)(
    F)F)O; Cc1c(Cl)c(ccc1N=C2O[CH]([CH]3[CH]
    (O)CCN23)C(F)(F)F)C#N; Cc1c(Cl)c(ccc1N=C
    2O[C@H]([C@@H]3[C@@H](O)CCN23)C(F)(F)F)C
    #N; N#Cc3ccc(/N=C1\OC(C(F)(F)F)C2N1CCC2O
    )c(c3Cl)C; Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC
    [C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O    		 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile;
    3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
    27262 LGC
    CHEMBL1200829
    DB04564
    ZINC000002539702    		 26 C6 H10 O6 InChI=1S/C6H10O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    5,7-10H,1H2/t2-,3-,4+,5-/
    m1/s1;
    PHOQVHQSTUBQQK-SQOUGZDYSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)
    O)O; OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@
    H]1O; OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O;
    O=C1OC(CO)C(O)C(O)C1O; C(C1C(C(C(C(=O)O
    1)O)O)O)O    		 D-glucono-1,5-lactone;
    (3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE;
    GLUCONOLACTONE
    27263 LGD
    CHEMBL436784
    DB08089
    ZINC000014968232    		 1 C14 H9 F9 N2 O InChI=1S/C14H9F9N2O/c15-1
    2(16,17)5-25(6-13(18,19)2
    0)7-1-2-10-8(3-7)9(14(21,
    22)23)4-11(26)24-10/h1-4H
    ,5-6H2,(H,24,26);
    ULBPQWIGZUGPHU-UHFFFAOYSA-N    		 c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O
    )N2)C(F)(F)F; FC(F)(F)CN(CC(F)(F)F)c1ccc
    2NC(=O)C=C(c2c1)C(F)(F)F; FC(F)(F)CN(c2c
    cc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F    		 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE;
    1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE
    27264 LGE
    CHEMBL1910111
    ZINC000034804610    		 2 C18 H17 Cl2 N3 O3 InChI=1S/C18H17Cl2N3O3/c1
    -9-12(6-21)16(11-4-3-10(1
    9)5-14(11)20)13-7-23(8-15
    (24)26-2)18(25)17(13)22-9
    /h3-5H,6-8,21H2,1-2H3;
    ZPJLWUGRTVIDEI-UHFFFAOYSA-N    		 Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(c
    c3Cl)Cl)CN; COC(=O)CN1Cc2c(nc(C)c(CN)c2c
    3ccc(Cl)cc3Cl)C1=O; Clc3ccc(c1c(c(nc2C(=
    O)N(Cc12)CC(=O)OC)C)CN)c(Cl)c3    		 methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate
    27265 LGF
    ZINC000016052434    		 1 C27 H24 F2 N6 O5 InChI=1S/C27H24F2N6O5/c1-
    40-25-19(9-18-20(11-30-23
    (18)32-25)22(37)27(39)33-
    5-4-16(36)13-33)26(38)34-
    6-7-35-15(12-34)10-31-24(
    35)17-3-2-14(28)8-21(17)2
    9/h2-3,8-11,16,36H,4-7,12
    -13H2,1H3,(H,30,32)/t16-/
    m1/s1;
    GRRHHDRNCLEFSY-MRXNPFEDSA-N    		 COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H]
    (C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4;
    COc1nc2[nH]cc(C(=O)C(=O)N3CC[C@@H](O)C3)
    c2cc1C(=O)N4CCn5c(C4)cnc5c6ccc(F)cc6F; C
    Oc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CCC(C3)O
    )C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4; COc1n
    c2[nH]cc(C(=O)C(=O)N3CC[CH](O)C3)c2cc1C(
    =O)N4CCn5c(C4)cnc5c6ccc(F)cc6F    		 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione;
    3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
    27266 LGG
    ZINC000024903829    		 2 C34 H51 N7 O11 InChI=1S/C34H51N7O11/c1-1
    9(2)17-25(33(51)38-22(9-1
    3-27(35)43)10-15-29(45)46
    )40-32(50)24(11-14-28(36)
    44)39-34(52)26(18-21-7-5-
    4-6-8-21)41-31(49)23(37-2
    0(3)42)12-16-30(47)48/h4-
    8,19,22-26H,9-18H2,1-3H3,
    (H2,35,43)(H2,36,44)(H,37
    ,42)(H,38,51)(H,39,52)(H,
    40,50)(H,41,49)(H,45,46)(
    H,47,48)/t22-,23-,24-,25-
    ,26-/m0/s1;
    IDWPNCOZKNRFJZ-LROMGURASA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=
    O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1
    ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C; CC(
    C)C[CH](NC(=O)[CH](CCC(N)=O)NC(=O)[CH](C
    c1ccccc1)NC(=O)[CH](CCC(O)=O)NC(C)=O)C(=
    O)N[CH](CCC(N)=O)CCC(O)=O; CC(C)CC(C(=O)
    NC(CCC(=O)N)CCC(=O)O)NC(=O)C(CCC(=O)N)NC
    (=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C
    ; CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O
    )[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC
    (C)=O)C(=O)N[C@@H](CCC(N)=O)CCC(O)=O; O=
    C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(
    NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C
    )C)CCC(=O)O    		 N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE
    27267 LGH
    ZINC000098209110    		 4 C22 H21 Cl N4 O5 InChI=1S/C22H21ClN4O5/c1-
    14-20(21(24-32-14)16-5-3-
    4-6-19(16)31-2)22(28)26-1
    1-9-25(10-12-26)18-8-7-15
    (27(29)30)13-17(18)23/h3-
    8,13H,9-12H2,1-2H3;
    OQYUKAFYGKRXTK-UHFFFAOYSA-N    		 Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4c
    cc(cc4Cl)[N+](=O)[O-]; [O-][N+](=O)c1ccc
    (c(Cl)c1)N4CCN(C(=O)c3c(onc3c2c(OC)cccc2
    )C)CC4; COc1ccccc1c2noc(C)c2C(=O)N3CCN(C
    C3)c4ccc(cc4Cl)[N+]([O-])=O    		 [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
    27268 LGJ
    CHEMBL591955
    ZINC000001551487    		 1 C26 H18 F4 N6 O4 S InChI=1S/C26H18F4N6O4S/c1
    -41(39,40)21-8-3-2-7-17(2
    1)14-9-10-19(18(27)12-14)
    31-24(37)20-13-22(26(28,2
    9)30)35-36(20)16-6-4-5-15
    (11-16)23-32-25(38)34-33-
    23/h2-13H,1H3,(H,31,37)(H
    2,32,33,34,38);
    YIHPFOJBRPDMES-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3c
    c(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F; C[
    S](=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4
    cccc(c4)C5=NNC(=O)N5)C(F)(F)F)c(F)c2    		 N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
    27269 LGK
    CHEMBL578474
    ZINC000001494451    		 1 C28 H21 F3 N6 O4 S InChI=1S/C28H21F3N6O4S/c1
    -42(40,41)22-8-3-2-7-20(2
    2)16-9-11-18(12-10-16)36-
    14-13-21-23(26(36)38)37(3
    5-24(21)28(29,30)31)19-6-
    4-5-17(15-19)25-32-27(39)
    34-33-25/h2-12,15H,13-14H
    2,1H3,(H2,32,33,34,39);
    LOIQROHBNJYIKB-UHFFFAOYSA-N    		 C[S](=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(
    nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O;
    CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(n
    c4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O    		 6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
    27270 LGL
    CHEMBL578098
    ZINC000001494449    		 1 C32 H28 F3 N7 O2 InChI=1S/C32H28F3N7O2/c33
    -32(34,35)28-26-14-17-41(
    23-12-10-20(11-13-23)25-9
    -2-1-6-22(25)19-40-15-3-4
    -16-40)30(43)27(26)42(39-
    28)24-8-5-7-21(18-24)29-3
    6-31(44)38-37-29/h1-2,5-1
    3,18H,3-4,14-17,19H2,(H2,
    36,37,38,44);
    QNPOXJFBWDKXGC-UHFFFAOYSA-N    		 c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(
    nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O;
    FC(F)(F)c1nn(c2cccc(c2)C3=NNC(=O)N3)c4C
    (=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7    		 1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
    27271 LGM
    CHEMBL578906
    ZINC000049710357    		 1 C32 H31 N7 O2 InChI=1S/C32H31N7O2/c1-21
    -27-15-18-38(25-13-11-22(
    12-14-25)28-10-3-2-7-24(2
    8)20-37-16-4-5-17-37)31(4
    0)29(27)39(36-21)26-9-6-8
    -23(19-26)30-33-32(41)35-
    34-30/h2-3,6-14,19H,4-5,1
    5-18,20H2,1H3,(H2,33,34,3
    5,41);
    DBOPERRYUICVTA-UHFFFAOYSA-N    		 Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)
    N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7; Cc1nn(
    c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5
    ccc(cc5)c6ccccc6CN7CCCC7    		 3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
    27272 LGN
    CHEMBL413472    		 4 C62 H117 N O18 InChI=1S/C62H117NO18/c1-3
    -5-7-9-11-13-15-17-18-19-
    20-21-22-23-24-25-26-28-3
    0-32-34-36-38-40-50(68)63
    -45(46(67)39-37-35-33-31-
    29-27-16-14-12-10-8-6-4-2
    )44-76-60-56(74)54(72)58(
    49(43-66)79-60)80-62-57(7
    5)59(52(70)48(42-65)78-62
    )81-61-55(73)53(71)51(69)
    47(41-64)77-61/h37,39,45-
    49,51-62,64-67,69-75H,3-3
    6,38,40-44H2,1-2H3,(H,63,
    68)/b39-37+/t45-,46+,47+,
    48+,49+,51-,52-,53-,54+,5
    5+,56+,57+,58+,59-,60+,61
    +,62-/m0/s1;
    JMENXJYBCQFIRK-KRJDXUSZSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO
    [C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C
    O)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O
    )[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
    )[C@H](O)\C=C\CCCCCCCCCCCCC; O=C(NC(COC3
    OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O
    )C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)C
    CCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCC
    CCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[C
    H](O[CH]2O[CH](CO)[CH](O)[CH](O[CH]3O[CH
    ](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](O)
    [CH]1O)[CH](O)C=CCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)
    CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O
    )O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O; CCCCCCC
    CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[
    C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C
    @@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[
    C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)
    O)[C@@H](/C=C/CCCCCCCCCCCCC)O    		 N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide;
    Isoglobotrihexosylceramide
    27273 LGP 4 C9 H14 N5 O7 P InChI=1S/C9H14N5O7P/c10-9
    -12-7-6(8(16)13-9)11-3-14
    (7)4-20-5(1-15)2-21-22(17
    ,18)19/h3,5,15H,1-2,4H2,(
    H2,17,18,19)(H3,10,12,13,
    16)/t5-/m0/s1;
    LSJIZCGOXSEZNF-YFKPBYRVSA-N    		 NC1=Nc2n(CO[C@@H](CO)CO[P](O)(O)=O)cnc2C
    (=O)N1; c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O
    )N=C(NC2=O)N; c1nc2c(n1COC(CO)COP(=O)(O)
    O)N=C(NC2=O)N; NC1=Nc2n(CO[CH](CO)CO[P](
    O)(O)=O)cnc2C(=O)N1; O=P(O)(O)OCC(OCn1c2
    N=C(NC(=O)c2nc1)N)CO    		 N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE;
    LINEAR DECARBON-C2* GUANOSINE-5'-MONOPHOSPHATE
    27274 LGQ
    CHEMBL4469987    		 1 C18 H13 F3 N6 InChI=1S/C18H13F3N6/c19-1
    8(20,21)11-6-8-12(9-7-11)
    23-16-13-14(22)24-15(25-1
    7(13)27-26-16)10-4-2-1-3-
    5-10/h1-9H,(H4,22,23,24,2
    5,26,27);
    HYUDDHSPJFCULQ-UHFFFAOYSA-N    		 Nc1nc(nc2[nH]nc(Nc3ccc(cc3)C(F)(F)F)c12)
    c4ccccc4; c1ccc(cc1)c2nc(c3c(n2)[nH]nc3N
    c4ccc(cc4)C(F)(F)F)N    		 6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
    27275 LGR
    ZINC000000294875    		 1 C10 H11 N O3 InChI=1S/C10H11NO3/c1-7(1
    2)11(2)9-6-4-3-5-8(9)10(1
    3)14/h3-6H,1-2H3,(H,13,14
    );
    VCOQVAJFXPHUAM-UHFFFAOYSA-N    		 CN(C(C)=O)c1ccccc1C(O)=O; CC(=O)N(C)c1cc
    ccc1C(=O)O; CN(C(C)=O)c1ccccc1C(=O)O    		 2-[acetyl(methyl)amino]benzoic acid
    27276 LGS
    DB08090
    ZINC000053683362    		 6 C15 H28 N2 O5 InChI=1S/C15H28N2O5/c1-2-
    3-4-5-6-7-8-16-15-17-10(9
    -22-15)11(18)12(19)13(20)
    14(17)21/h10-14,18-21H,2-
    9H2,1H3/b16-15-/t10-,11-,
    12+,13-,14+/m1/s1;
    QJILQIWQVOAQBB-KRIYVDMXSA-N    		 CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H](
    [C@H]([C@@H]2O)O)O)O; N(=C1\OCC2N1C(O)C(
    O)C(O)C2O)\CCCCCCCC; CCCCCCCCN=C1OC[CH]2
    [CH](O)[CH](O)[CH](O)[CH](O)N12; CCCCCCC
    CN=C1OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)
    [C@H](O)N12; CCCCCCCCN=C1N2C(CO1)C(C(C(C
    2O)O)O)O    		 (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
    27277 LGT
    ZINC000013533920    		 7 C6 H10 O8 InChI=1S/C6H10O8/c7-1(3(9
    )5(11)12)2(8)4(10)6(13)14
    /h1-4,7-10H,(H,11,12)(H,1
    3,14)/t1-,2-,3-,4+/m1/s1;
    DSLZVSRJTYRBFB-AJSXGEPRSA-N    		 C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O; O=C(O)C(
    O)C(O)C(O)C(O)C(=O)O; O[C@H]([C@@H](O)[C
    @@H](O)C(O)=O)[C@H](O)C(O)=O; O[CH]([CH]
    (O)[CH](O)C(O)=O)[CH](O)C(O)=O; [C@@H]([
    C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O    		 L-GLUCARIC ACID
    27278 LGU
    ZINC000004097166    		 49 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )4(5(10)11)13-6(12)3(1)9/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2-,3-,4+,6+/m0/s1;
    AEMOLEFTQBMNLQ-AZLKCVHYSA-N    		 C1(C(C(OC(C1O)O)C(=O)O)O)O; O[CH]1O[CH](
    [CH](O)[CH](O)[CH]1O)C(O)=O; [C@@H]1([C@
    @H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O;
    O=C(O)C1OC(O)C(O)C(O)C1O; O[C@@H]1O[C@H]
    ([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O    		 alpha-L-gulopyranuronic acid;
    alpha-L-guluronic acid;
    L-guluronic acid;
    guluronic acid;
    ALPHA-L-GULURONATE
    27279 LGV
    CHEMBL1222855
    ZINC000058591398    		 1 C19 H17 F N8 O InChI=1S/C19H17FN8O/c20-1
    5-6-5-12(9-21-15)19(29)22
    -10-17-24-18(14-2-1-7-28(
    14)27-17)23-16-8-13(25-26
    -16)11-3-4-11/h1-2,5-9,11
    H,3-4,10H2,(H,22,29)(H2,2
    3,24,25,26,27);
    FQECDJFBKXFTIW-UHFFFAOYSA-N    		 Fc1ncc(cc1)C(=O)NCc3nn2c(ccc2)c(n3)Nc4cc
    (nn4)C5CC5; c1cc2c(nc(nn2c1)CNC(=O)c3ccc
    (nc3)F)Nc4cc(n[nH]4)C5CC5; Fc1ccc(cn1)C(
    =O)NCc2nn3cccc3c(Nc4[nH]nc(c4)C5CC5)n2    		 N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
    27280 LGW
    CHEMBL1222710
    ZINC000043200503    		 1 C22 H21 F N8 O InChI=1S/C22H21FN8O/c23-1
    8-8-7-14(12-24-18)22(32)3
    0-9-1-3-16(30)21-26-20(17
    -4-2-10-31(17)29-21)25-19
    -11-15(27-28-19)13-5-6-13
    /h2,4,7-8,10-13,16H,1,3,5
    -6,9H2,(H2,25,26,27,28,29
    )/t16-/m0/s1;
    XXGADWBTSMHVDF-INIZCTEOSA-N    		 Fc1ccc(cn1)C(=O)N2CCC[C@H]2c3nn4cccc4c(N
    c5cc([nH]n5)C6CC6)n3; Fc1ccc(cn1)C(=O)N2
    CCC[CH]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6)n
    3; Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(c2
    )C3CC3)c5cccn5n4; c1cc2c(nc(nn2c1)C3CCCN
    3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6; c1
    cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4
    )F)Nc5cc([nH]n5)C6CC6    		 N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
    27281 LGX
    CHEMBL1222711
    ZINC000058592424    		 1 C22 H21 F N8 O InChI=1S/C22H21FN8O/c23-1
    8-8-7-14(12-24-18)22(32)3
    0-9-1-3-16(30)21-26-20(17
    -4-2-10-31(17)29-21)25-19
    -11-15(27-28-19)13-5-6-13
    /h2,4,7-8,10-13,16H,1,3,5
    -6,9H2,(H2,25,26,27,28,29
    )/t16-/m1/s1;
    XXGADWBTSMHVDF-MRXNPFEDSA-N    		 c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc
    4)F)Nc5cc([nH]n5)C6CC6; Fc1ccc(cn1)C(=O)
    N2CCC[CH]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6
    )n3; Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(
    c2)C3CC3)c5cccn5n4; Fc1ccc(cn1)C(=O)N2CC
    C[C@@H]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6)n
    3; c1cc2c(nc(nn2c1)C3CCCN3C(=O)c4ccc(nc4
    )F)Nc5cc([nH]n5)C6CC6    		 N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
    27282 LGY
    ZINC000098209111    		 0 C10 H18 N2 O3 InChI=1S/C10H18N2O3/c11-9
    (10(14)15)5-1-2-6-12-7-3-
    4-8-13/h7-9H,1-6,11H2,(H,
    14,15)/b12-7+/t9-/m0/s1;
    QHNKFGZIDRMVOP-SZUMLMDFSA-N    		 C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N; O=C(O)C
    (N)CCCC/N=C/CCC=O; N[CH](CCCCN=CCCC=O)C(
    O)=O; N[C@@H](CCCCN=CCCC=O)C(O)=O; C(CCN
    =CCCC=O)CC(C(=O)O)N    		 (E)-N~6~-(4-oxobutylidene)-L-lysine
    27283 LGZ
    ZINC000103548459    		 2 C36 H39 N3 O7 InChI=1S/C36H39N3O7/c37-3
    4(42)46-31-18-25-13-7-8-1
    4-27(25)32(31)28-21-38-36
    (33(28)41,19-24-11-5-2-6-
    12-24)20-30(40)29(17-23-9
    -3-1-4-10-23)39-35(43)45-
    26-15-16-44-22-26/h1-14,2
    1,26,29-32,38,40H,15-20,2
    2H2,(H2,37,42)(H,39,43)/t
    26-,29+,30+,31-,32-,36+/m
    1/s1;
    LIIUTXFOEDWJEK-HQJNJJHVSA-N    		 c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=C
    N2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc
    5)O)NC(=O)OC6CCOC6; NC(=O)O[CH]1Cc2ccccc
    2[CH]1C3=CN[C](C[CH](O)[CH](Cc4ccccc4)NC
    (=O)O[CH]5CCOC5)(Cc6ccccc6)C3=O; NC(=O)O
    [C@@H]1Cc2ccccc2[C@@H]1C3=CN[C@](C[C@H](
    O)[C@H](Cc4ccccc4)NC(=O)O[C@@H]5CCOC5)(C
    c6ccccc6)C3=O; O=C(OC1CCOC1)NC(Cc2ccccc2
    )C(O)CC3(C(=O)C(=CN3)C5c4ccccc4CC5OC(=O)
    N)Cc6ccccc6; c1ccc(cc1)CC(C(CC2(C(=O)C(=
    CN2)C3c4ccccc4CC3OC(=O)N)Cc5ccccc5)O)NC(
    =O)OC6CCOC6    		 CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER;
    LGZ479 INHIBITOR
    27284 LH0
    CHEMBL2141887
    ZINC000072232826    		 5 C17 H14 Cl2 F2 N4 O S InChI=1S/C17H14Cl2F2N4OS/
    c1-8(2)16(26)23-17-22-7-1
    3(27-17)12-6-11(15(20)21)
    24-25(12)14-9(18)4-3-5-10
    (14)19/h3-8,15H,1-2H3,(H,
    22,23,26);
    IVUGBSGLHRJSSP-UHFFFAOYSA-N    		 CC(C)C(=O)Nc1sc(cn1)c2cc(nn2c3c(Cl)cccc3
    Cl)C(F)F; CC(C)C(=O)Nc1ncc(s1)c2cc(nn2c3
    c(cccc3Cl)Cl)C(F)F    		 ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide
    27285 LH2 2 C16 H18 B N3 O2 InChI=1S/C16H18BN3O2/c18-
    16(19)11-5-7-13(8-6-11)20
    -10-14-9-12-3-1-2-4-15(12
    )17(21)22-14/h1-8,14,20-2
    1H,9-10H2,(H3,18,19)/t14-
    /m0/s1;
    GGBMYYYFHLXGRH-AWEZNQCLSA-N    		 [H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O
    2)O)/N; B1(c2ccccc2CC(O1)CNc3ccc(cc3)C(=
    N)N)O; NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O
    2)cc1; NC(=N)c1ccc(NC[C@@H]2Cc3ccccc3B(O
    )O2)cc1    		 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
    27286 LH3
    ZINC000098209113    		 1 C32 H34 N4 O6 S InChI=1S/C32H34N4O6S/c1-4
    1-30(38)21-14-10-19(11-15
    -21)23-6-5-7-24(20-12-16-
    22(17-13-20)31(39)42-2)28
    (23)36-35-27(37)9-4-3-8-2
    6-29-25(18-43-26)33-32(40
    )34-29/h5-7,10-17,25-26,2
    9,36H,3-4,8-9,18H2,1-2H3,
    (H,35,37)(H2,33,34,40)/t2
    5-,26-,29-/m0/s1;
    LVYKNIDQFONGOK-ZEZDXWPOSA-N    		 COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[CH
    ]3SC[CH]4NC(=O)N[CH]34)c5ccc(cc5)C(=O)OC
    ; COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[
    C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c5ccc(cc5)
    C(=O)OC; O=C1NC2C(SCC2N1)CCCCC(=O)NNc5c(
    c3ccc(C(=O)OC)cc3)cccc5c4ccc(C(=O)OC)cc4
    ; COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[
    C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5
    )C(=O)OC; COC(=O)c1ccc(cc1)c2cccc(c2NNC(
    =O)CCCCC3C4C(CS3)NC(=O)N4)c5ccc(cc5)C(=O
    )OC    		 methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
    27287 LH4
    ZINC000098209114    		 6 C36 H44 N6 O8 S3 InChI=1S/C36H44N6O8S3/c43
    -33(7-2-1-6-32-35-31(24-5
    1-32)37-36(44)38-35)39-40
    -34-29(25-8-12-27(13-9-25
    )52(45,46)41-16-20-49-21-
    17-41)4-3-5-30(34)26-10-1
    4-28(15-11-26)53(47,48)42
    -18-22-50-23-19-42/h3-5,8
    -15,31-32,35,40H,1-2,6-7,
    16-24H2,(H,39,43)(H2,37,3
    8,44)/t31-,32-,35-/m0/s1;
    VJIGZSIHTAESLS-QVXXBSHFSA-N    		 O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NNc3c(
    cccc3c4ccc(cc4)[S](=O)(=O)N5CCOCC5)c6ccc
    (cc6)[S](=O)(=O)N7CCOCC7; c1cc(c(c(c1)c2
    ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@
    H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S
    (=O)(=O)N7CCOCC7; c1cc(c(c(c1)c2ccc(cc2)
    S(=O)(=O)N3CCOCC3)NNC(=O)CCCCC4C5C(CS4)N
    C(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7; O=C
    (CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNc3
    c(cccc3c4ccc(cc4)[S](=O)(=O)N5CCOCC5)c6c
    cc(cc6)[S](=O)(=O)N7CCOCC7; O=C1NC2C(SCC
    2N1)CCCCC(=O)NNc7c(c3ccc(cc3)S(=O)(=O)N4
    CCOCC4)cccc7c5ccc(cc5)S(=O)(=O)N6CCOCC6    		 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide
    27288 LH5 3 C21 H20 B N3 O3 InChI=1S/C21H20BN3O3/c23-
    21(24)17-8-7-16(11-20(17)
    27-13-14-4-3-9-25-12-14)1
    9-10-15-5-1-2-6-18(15)22(
    26)28-19/h1-9,11-12,19,26
    H,10,13H2,(H3,23,24)/t19-
    /m0/s1;
    YENXZRUMZHNJKP-IBGZPJMESA-N    		 NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4
    B(O)O3; [H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@
    @H]3Cc4ccccc4B(O3)O)\N; NC(=N)c1ccc(cc1O
    Cc2cccnc2)[C@@H]3Cc4ccccc4B(O)O3; B1(c2c
    cccc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N)
    O    		 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
    27289 LH7
    CHEMBL4906424    		 1 C16 H18 F N3 O3 S InChI=1S/C16H18FN3O3S/c1-
    11-15(9-19-20(11)14-6-7-2
    4(22,23)10-14)16(21)18-8-
    12-2-4-13(17)5-3-12/h2-5,
    9,14H,6-8,10H2,1H3,(H,18,
    21)/t14-/m0/s1;
    CCMSFWYJLMKKKU-AWEZNQCLSA-N    		 Cc1c(cnn1C2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc
    3)F; Cc1n(ncc1C(=O)NCc2ccc(F)cc2)[C@H]3C
    C[S](=O)(=O)C3; Cc1c(cnn1[C@H]2CCS(=O)(=
    O)C2)C(=O)NCc3ccc(cc3)F; Cc1n(ncc1C(=O)N
    Cc2ccc(F)cc2)[CH]3CC[S](=O)(=O)C3; n2n(C
    1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)
    =O    		 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
    27290 LH8 1 C15 H15 B N2 O2 InChI=1S/C15H15BN2O2/c17-
    15(18)11-7-5-10(6-8-11)14
    -9-12-3-1-2-4-13(12)16(19
    )20-14/h1-8,14,19H,9H2,(H
    3,17,18)/t14-/m0/s1;
    CSHJPLOWTAYIGQ-AWEZNQCLSA-N    		 [H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)
    O)\N; B1(c2ccccc2CC(O1)c3ccc(cc3)C(=N)N)
    O; NC(=N)c1ccc(cc1)[CH]2Cc3ccccc3B(O)O2;
    NC(=N)c1ccc(cc1)[C@@H]2Cc3ccccc3B(O)O2    		 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide
    27291 LH9 16 C20 H38 O4 InChI=1S/C20H38O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-20(23)24-18-19(22
    )17-21/h8-9,19,21-22H,2-7
    ,10-18H2,1H3/t19-/m0/s1;
    NXAQGVNJNZDCNZ-IBGZPJMESA-N    		 CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO; CCCCC
    CC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO; CCCCCC
    CC=CCCCCCCCC(=O)OCC(CO)O; CCCCCCCC=CCCCC
    CCCC(=O)OC[C@H](CO)O    		 [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate
    27292 LHA
    ZINC000263620646    		 0 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
    27293 LHB 4 C17 H23 N9 O5 InChI=1S/C17H23N9O5/c1-30
    -7-25-4-8(13(18)24-17(25)
    29)2-20-3-9-11(27)12(28)1
    6(31-9)26-6-23-10-14(19)2
    1-5-22-15(10)26/h4-6,9,11
    -12,16,20,27-28H,2-3,7H2,
    1H3,(H2,18,24,29)(H2,19,2
    1,22)/t9-,11-,12-,16-/m1/
    s1;
    XNIWXZNBHJGVPA-UBEDBUPSSA-N    		 COCN1C=C(C(=NC1=O)N)CNCC2C(C(C(O2)n3cnc4
    c3ncnc4N)O)O; COCN1C=C(CNC[C@H]2O[C@H]([
    C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(=NC1=
    O)N; COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]
    ([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; COC
    N1C=C(CNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4
    c(N)ncnc34)C(=NC1=O)N    		 5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one
    27294 LHC
    ZINC000058639014    		 0 C8 H12 N4 O3 InChI=1S/C8H12N4O3/c9-5(7
    (13)14)1-3-12-4-2-6(10)11
    -8(12)15/h2,4-5H,1,3,9H2,
    (H,13,14)(H2,10,11,15)/t5
    -/m0/s1;
    FKWFMIJKLRYFAG-YFKPBYRVSA-N    		 C1=CN(C(=O)N=C1N)CCC(C(=O)O)N; N[CH](CCN
    1C=CC(=NC1=O)N)C(O)=O; N[C@@H](CCN1C=CC(
    =NC1=O)N)C(O)=O; O=C1N=C(C=CN1CCC(C(=O)O
    )N)N; C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N    		 (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
    27295 LHD 4 C18 H26 N9 O5 InChI=1S/C18H25N9O5/c1-31
    -8-26-5-9(14(19)25-18(26)
    30)4-21-3-2-10-12(28)13(2
    9)17(32-10)27-7-24-11-15(
    20)22-6-23-16(11)27/h5-7,
    10,12-13,17,21,28-29H,2-4
    ,8H2,1H3,(H2,19,25,30)(H2
    ,20,22,23)/p+1/t10-,12-,1
    3-,17-/m1/s1;
    YHTQXGJBVFZAQM-CNEMSGBDSA-O    		 COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H
    ]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; CO
    CN1C=C(C[NH2+]CC[CH]2O[CH]([CH](O)[CH]2O
    )n3cnc4c(N)ncnc34)C(=NC1=O)N; COCN1C=C(C
    (=NC1=O)N)C[NH2+]CCC2C(C(C(O2)n3cnc4c3nc
    nc4N)O)O; COCN1C=C(C[NH2+]CC[C@H]2O[C@H]
    ([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(=NC
    1=O)N    		 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium
    27296 LHE
    ZINC000263621173    		 0 C12 H26 N2 O3 InChI=1S/C12H26N2O3/c1-4-
    5-10(12(16)17)14-7-11(15)
    9(13)6-8(2)3/h8-11,14-15H
    ,4-7,13H2,1-3H3,(H,16,17)
    /t9-,10-,11+/m0/s1;
    WENKKRZBAKQUEN-GARJFASQSA-N    		 CCC[CH](NC[CH](O)[CH](N)CC(C)C)C(O)=O; C
    CCC(C(=O)O)NCC(C(CC(C)C)N)O; O=C(O)C(NCC
    (O)C(N)CC(C)C)CCC; CCC[C@@H](C(=O)O)NC[C
    @H]([C@H](CC(C)C)N)O; CCC[C@H](NC[C@@H](
    O)[C@@H](N)CC(C)C)C(O)=O    		 N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline
    27297 LHF 2 C24 H28 Br N9 O5 InChI=1S/C24H28BrN9O5/c25
    -14-1-3-15(4-2-14)38-8-7-
    33-10-13(20(26)32-24(33)3
    7)9-28-6-5-16-18(35)19(36
    )23(39-16)34-12-31-17-21(
    27)29-11-30-22(17)34/h1-4
    ,10-12,16,18-19,23,28,35-
    36H,5-9H2,(H2,26,32,37)(H
    2,27,29,30)/t16-,18-,19-,
    23-/m1/s1;
    AFEXDGZCVHONJJ-DYVMYPEFSA-N    		 NC1=NC(=O)N(CCOc2ccc(Br)cc2)C=C1CNCC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45; c
    1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCCC3C(C(C(
    O3)n4cnc5c4ncnc5N)O)O)Br; c1cc(ccc1OCCN2
    C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C
    @@H](O3)n4cnc5c4ncnc5N)O)O)Br; NC1=NC(=O
    )N(CCOc2ccc(Br)cc2)C=C1CNCC[C@H]3O[C@H](
    [C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45    		 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one
    27298 LHG
    ZINC000032838271    		 0 C38 H75 O10 P InChI=1S/C38H75O10P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-37(41)45-33-36
    (34-47-49(43,44)46-32-35(
    40)31-39)48-38(42)30-28-2
    6-24-22-20-18-16-14-12-10
    -8-6-4-2/h35-36,39-40H,3-
    34H2,1-2H3,(H,43,44)/t35-
    ,36+/m0/s1;
    BIABMEZBCHDPBV-MPQUPPDSSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCCCCCCCCCCCC; O=C(OC(COP(=O)
    (OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](
    CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC
    CCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[
    P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCC
    CC; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O
    )(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC    		 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE
    27299 LHH 0 C12 H18 N3 O9 P InChI=1S/C12H18N3O9P/c1-6
    (16)13-8-3-4-15(12(18)14-
    8)11-10(22-2)9(17)7(24-11
    )5-23-25(19,20)21/h3-4,7,
    9-11,17H,5H2,1-2H3,(H2,19
    ,20,21)(H,13,14,16,18)/t7
    -,9-,10-,11-/m1/s1;
    XSIWUOJELZFTTR-QCNRFFRDSA-N    		 CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N
    2C=CC(=NC2=O)NC(C)=O; CO[C@@H]1[C@H](O)[
    C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O
    )NC(C)=O; CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C
    (O2)COP(=O)(O)O)O)OC; CC(=O)NC1=NC(=O)N(
    C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O
    )(O)O)O)OC    		 [(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    27300 LHI 1 C93 H155 N7 O23 P2 S InChI=1S/C93H155N7O23P2S/
    c1-62(2)29-19-30-63(3)31-
    20-32-64(4)33-21-34-65(5)
    35-22-36-66(6)37-23-38-67
    (7)39-24-40-68(8)41-25-42
    -69(9)43-26-44-70(10)45-2
    7-46-71(11)47-28-48-72(12
    )51-54-117-124(111,112)12
    3-125(113,114)122-92-84(9
    8-76(16)104)88(87(79(60-1
    02)120-92)121-91-83(97-75
    (15)103)86(107)85(106)78(
    59-101)119-91)118-74(14)9
    0(109)96-73(13)89(108)95-
    53-56-116-58-57-115-55-52
    -94-81(105)50-18-17-49-80
    -82-77(61-126-80)99-93(11
    0)100-82/h29,31,33,35,37,
    39,41,43,45,47,51,73-74,7
    7-80,82-88,91-92,101-102,
    106-107H,17-28,30,32,34,3
    6,38,40,42,44,46,48-50,52
    -61H2,1-16H3,(H,94,105)(H
    ,95,108)(H,96,109)(H,97,1
    03)(H,98,104)(H,111,112)(
    H,113,114)(H2,99,100,110)
    /b63-31-,64-33?,65-35?,66
    -37?,67-39-,68-41-,69-43-
    ,70-45?,71-47?,72-51-/t73
    -,74+,77-,78+,79+,80-,82-
    ,83+,84+,85-,86+,87+,88+,
    91-,92+/m0/s1;
    WLFSVWBINOGDFX-PARYEQGPSA-N    		 CC(C(=O)NCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(
    =O)N2)NC(=O)C(C)OC3C(C(OC(C3OC4C(C(C(C(O
    4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OC
    C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC
    C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC
    C=C(C)C)NC(=O)C; C[C@H](NC(=O)[C@@H](C)O
    [C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C
    @H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C
    @H]2NC(C)=O)O[P](O)(=O)O[P](O)(=O)OC\C=C
    (C)/CC/C=C(C)/CC/C=C(C)/CC\C=C(C)/CC\C=C
    (C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C
    (C)/CC\C=C(C)/CCC=C(C)C)C(=O)NCCOCCOCCNC
    (=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34;
    C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[C
    H](O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[
    CH](O)[CH]2NC(C)=O)O[P](O)(=O)O[P](O)(=O
    )OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C
    )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C
    )CCC=C(C)C)C(=O)NCCOCCOCCNC(=O)CCCC[CH]3
    SC[CH]4NC(=O)N[CH]34; C[C@@H](C(=O)NCCOC
    COCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(
    =O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H]
    (O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]
    ([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(
    =O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC
    C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC
    C=C(C)CCC=C(C)C)NC(=O)C    		 [(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate
    27301 LHJ
    CHEMBL1091199
    ZINC000043200944    		 1 C24 H20 F2 N4 O2 InChI=1S/C24H20F2N4O2/c1-
    13-3-4-14(22(31)28-17-6-7
    -17)9-18(13)19-10-15-12-2
    7-30(23(15)29(2)24(19)32)
    21-8-5-16(25)11-20(21)26/
    h3-5,8-12,17H,6-7H2,1-2H3
    ,(H,28,31);
    XQRUWZMHPKNIDA-UHFFFAOYSA-N    		 Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4
    F)F)C(=O)NC5CC5; CN1C(=O)C(=Cc2cnn(c3ccc
    (F)cc3F)c12)c4cc(ccc4C)C(=O)NC5CC5    		 N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
    27302 LHK 1 C9 H14 N2 O10 S InChI=1S/C9H14N2O10S/c12-
    6(13)2-1-4(8(16)17)10-22(
    20,21)11-5(9(18)19)3-7(14
    )15/h4-5,10-11H,1-3H2,(H,
    12,13)(H,14,15)(H,16,17)(
    H,18,19)/t4-,5-/m0/s1;
    YMLMAINCBMGBCN-WHFBIAKZSA-N    		 C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H
    ](CC(=O)O)C(=O)O; OC(=O)CC[C@H](N[S](=O)
    (=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O; C(CC(
    =O)O)C(C(=O)O)NS(=O)(=O)NC(CC(=O)O)C(=O)
    O; OC(=O)CC[CH](N[S](=O)(=O)N[CH](CC(O)=
    O)C(O)=O)C(O)=O    		 (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
    27303 LHL
    CHEMBL1234002
    ZINC000058639016    		 3 C25 H28 Cl2 N6 O2 InChI=1S/C25H28Cl2N6O2/c1
    -4-32(5-2)13-14-35-19-11-
    9-18(10-12-19)29-24-28-15
    -17-16-33(25(34)31(3)23(1
    7)30-24)22-20(26)7-6-8-21
    (22)27/h6-12,15H,4-5,13-1
    4,16H2,1-3H3,(H,28,29,30);
    LQYPBKQMDVWUGO-UHFFFAOYSA-N    		 CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N
    (C3)c4c(cccc4Cl)Cl)C; CCN(CC)CCOc1ccc(Nc
    2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1    		 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
    27304 LHM 1 C15 H16 F N3 O InChI=1S/C15H16FN3O/c16-1
    2-6-4-11(5-7-12)9-17-15(2
    0)13-10-18-19-8-2-1-3-14(
    13)19/h4-7,10H,1-3,8-9H2,
    (H,17,20);
    HVMSJMIBUMLXDJ-UHFFFAOYSA-N    		 c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F; Fc1ccc(
    CNC(=O)c2cnn3CCCCc23)cc1; N(Cc1ccc(cc1)F
    )C(=O)c2cnn3c2CCCC3    		 N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
    27305 LHO
    ZINC000098209115    		 0 C15 H18 N O6 P S InChI=1S/C15H18NO6PS/c1-9
    -2-3-11-10(6-9)4-5-16(15(
    11)24)14-7-12(17)13(22-14
    )8-21-23(18,19)20/h2-6,12
    -14,17H,7-8H2,1H3,(H2,18,
    19,20)/t12-,13+,14+/m0/s1;
    VWYVWCCRRCEFQM-BFHYXJOUSA-N    		 O=P(O)(O)OCC3OC(N2C(=S)c1c(cc(cc1)C)C=C2
    )CC3O; Cc1ccc2C(=S)N(C=Cc2c1)[CH]3C[CH](
    O)[CH](CO[P](O)(O)=O)O3; Cc1ccc2C(=S)N(C
    =Cc2c1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O3; Cc1ccc2c(c1)C=CN(C2=S)C3CC(C(O3)C
    OP(=O)(O)O)O; Cc1ccc2c(c1)C=CN(C2=S)[C@H
    ]3C[C@@H]([C@H](O3)COP(=O)(O)O)O    		 2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione
    27306 LHP
    ZINC000095921179    		 1 C27 H44 O4 InChI=1S/C27H44O4/c1-5-25
    (30)31-19-12-14-26(3)18(1
    6-19)7-8-20-22-10-9-21(17
    (2)6-11-24(28)29)27(22,4)
    15-13-23(20)26/h17-23H,5-
    16H2,1-4H3,(H,28,29)/t17-
    ,18-,19-,20+,21-,22+,23+,
    26+,27-/m1/s1;
    RDIKLWFVJHJCMN-RMXYKXGFSA-N    		 CCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C
    )CCC(=O)O)C)C; CCC(=O)O[C@@H]1CC[C@]2([C
    @@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC
    [C@@H]4[C@H](C)CCC(=O)O)C)C; O=C(O)CCC(C
    4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)C
    C4)C)C; CCC(=O)O[C@@H]1CC[C@@]2(C)[C@H](
    CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)
    [C@@]4(C)CC[C@H]23)C1; CCC(=O)O[CH]1CC[C
    ]2(C)[CH](CC[CH]3[CH]4CC[CH]([CH](C)CCC(
    O)=O)[C]4(C)CC[CH]23)C1    		 (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid;
    Lithocholic acid propionate
    27307 LHQ 7 C29 H44 N7 O18 P3 S InChI=1S/C29H44N7O18P3S/c
    1-29(2,24(40)27(41)32-8-7
    -19(37)31-9-11-58-20(38)1
    2-17-6-4-3-5-10-49-17)14-
    51-57(47,48)54-56(45,46)5
    0-13-18-23(53-55(42,43)44
    )22(39)28(52-18)36-16-35-
    21-25(30)33-15-34-26(21)3
    6/h3,5-6,15-16,18,22-24,2
    8,39-40H,4,7-14H2,1-2H3,(
    H,31,37)(H,32,41)(H,45,46
    )(H,47,48)(H2,30,33,34)(H
    2,42,43,44)/t18-,22-,23-,
    24+,28-/m1/s1;
    GQJGZLQATBGDEV-CECATXLMSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=
    CCO4)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)
    n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)N
    CCSC(=O)CC4=CCC=CCO4; CC(C)(CO[P](O)(=O)
    O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]
    (O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NC
    CC(=O)NCCSC(=O)CC4=CCC=CCO4; CC(C)(COP(=
    O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3
    N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C
    C4=CCC=CCO4)O    		 ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate
    27308 LHR
    ZINC000005291601    		 3 C9 H9 N3 O InChI=1S/C9H9N3O/c1-6(13)
    11-8-3-2-7-5-10-12-9(7)4-
    8/h2-5H,1H3,(H,10,12)(H,1
    1,13);
    HOQHKYACTYMRFK-UHFFFAOYSA-N    		 CC(=O)Nc1ccc2cn[NH]c2c1; CC(=O)Nc1ccc2cn
    [nH]c2c1    		 N-(1H-indazol-6-yl)acetamide
    27309 LHS 1 C12 H12 F N3 O3 InChI=1S/C12H12FN3O3/c1-1
    8-7-10-15-11(16-19-10)12(
    17)14-6-8-2-4-9(13)5-3-8/
    h2-5H,6-7H2,1H3,(H,14,17);
    ABEBQQLGINUBLA-UHFFFAOYSA-N    		 n2c(C(NCc1ccc(F)cc1)=O)noc2COC; COCc1nc(
    no1)C(=O)NCc2ccc(cc2)F; COCc1onc(n1)C(=O
    )NCc2ccc(F)cc2    		 N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
    27310 LHT 3 C22 H27 N3 O8 S InChI=1S/C22H27N3O8S/c1-9
    -16(15(10(2)26)21(30)31)2
    5-17(22(32)33)18(9)34-13-
    7-14(23-8-13)19(27)24-12-
    5-3-4-11(6-12)20(28)29/h3
    -6,9-10,13-16,23,25-26H,7
    -8H2,1-2H3,(H,24,27)(H,28
    ,29)(H,30,31)(H,32,33)/t9
    -,10-,13+,14+,15-,16-/m1/
    s1;
    LMDXYCKWMWUYCV-ANEDZVCMSA-N    		 C[C@@H](O)[C@H]([C@@H]1NC(=C(S[C@@H]2CN[
    C@@H](C2)C(=O)Nc3cccc(c3)C(O)=O)[C@@H]1C
    )C(O)=O)C(O)=O; C[C@@H]1[C@@H](NC(=C1S[C
    @H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(
    =O)O)[C@@H]([C@@H](C)O)C(=O)O; CC1C(NC(=
    C1SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)
    O)C(C(C)O)C(=O)O; C[CH](O)[CH]([CH]1NC(=
    C(S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O
    )[CH]1C)C(O)=O)C(O)=O    		 hydrolysed ertapenem
    27311 LHU 0 C9 H13 N2 O9 P InChI=1/C9H13N2O9P/c12-5-
    1-2-11(9(15)10-5)8-7(14)6
    (13)4(20-8)3-19-21(16,17)
    18/h1-2,4,6-8,13-14H,3H2,
    (H,10,12,15)(H2,16,17,18)
    /t4-,6-,7-,8-/m0/s1/f/h10
    ,16-17H;
    DJJCXFVJDGTHFX-BNODKPKQDS    		 O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)
    O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O
    )N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C
    (C(O2)COP(=O)(O)O)O)O; C1=CN(C(=O)NC1=O)
    [C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O
    )O)O; O[C@@H]1[C@H](O)[C@H](O[C@H]1CO[P]
    (O)(O)=O)N2C=CC(=O)NC2=O    		 L-URIDINE-5'-MONOPHOSPHATE
    27312 LHV
    CHEMBL1162480
    ZINC000000389853    		 6 C5 H10 O3 InChI=1S/C5H10O3/c1-3(2)4
    (6)5(7)8/h3-4,6H,1-2H3,(H
    ,7,8)/t4-/m0/s1;
    NGEWQZIDQIYUNV-BYPYZUCNSA-N    		 CC(C)[C@H](O)C(O)=O; CC(C)C(C(=O)O)O; CC
    (C)[CH](O)C(O)=O; CC(C)[C@@H](C(=O)O)O;
    O=C(O)C(O)C(C)C    		 (2S)-2-hydroxy-3-methylbutanoic acid
    27313 LHW 6 H16 Mo10 O35 InChI=1S/10Mo.16H2O.19O/h
    ;;;;;;;;;;16*1H2;;;;;;;;;
    ;;;;;;;;;;/q4*+1;6*+2;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;3*+1;+2/p-16;
    QLJDKXQFXYWLGK-UHFFFAOYSA-A    		 O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]
    1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[M
    o]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(
    O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)
    O)(O)O; O[Mo]123[O+]4[Mo]56(O)(O)O[Mo]47
    (O)(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O[Mo]%
    11%12(O)(O)O[Mo](O)(O)(O5)(O[Mo]%13%14(O
    )(O6)O[Mo]%15(O)(O7)(O8)O[Mo](O)(O%11)(O
    %10)(O%13)[O++]1%14%15)[O+]2%12)[O+]39    		 MO(10)-O(35) Cluster
    27314 LHX
    CHEMBL592378    		 1 C17 H20 O6 InChI=1S/C17H20O6/c1-22-1
    5-7-10(3-5-13(15)19)12(9-
    18)17(21)11-4-6-14(20)16(
    8-11)23-2/h3-8,12,17-21H,
    9H2,1-2H3/t12-,17-/m0/s1;
    DFUOJBWSSSODTR-SJCJKPOMSA-N    		 COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC
    )c2; COc1cc(ccc1O)[C@H](CO)[C@H](c2ccc(c
    (c2)OC)O)O; COc1cc(ccc1O)C(CO)C(c2ccc(c(
    c2)OC)O)O; COc1cc(ccc1O)[C@H](O)[C@@H](C
    O)c2ccc(O)c(OC)c2    		 (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
    27315 LHY
    DB02652
    ZINC000003581318    		 12 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c13-9
    (14)8(11-10(15)12-16)6-7-
    4-2-1-3-5-7/h1-5,8,16H,6H
    2,(H,13,14)(H2,11,12,15)/
    t8-/m0/s1;
    IOFPEOPOAMOMBE-QMMMGPOBSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO; c1ccc
    (cc1)CC(C(=O)O)NC(=O)NO; ONC(=O)N[C@@H](
    Cc1ccccc1)C(O)=O; ONC(=O)N[CH](Cc1ccccc1
    )C(O)=O; O=C(O)C(NC(=O)NO)Cc1ccccc1    		 L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE
    27316 LHZ
    CHEMBL4482864    		 1 C24 H24 F2 N8 O2 InChI=1S/C24H24F2N8O2/c1-
    14-9-27-24(30-20-6-7-28-3
    2(20)2)31-21(14)19-12-33-
    11-16(13-36-3)34(23(35)22
    (33)29-19)10-15-4-5-17(25
    )18(26)8-15/h4-9,12,16H,1
    0-11,13H2,1-3H3,(H,27,30,
    31)/t16-/m1/s1;
    HVIGNZUDBVLTLU-MRXNPFEDSA-N    		 COC[C@H]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3
    )c4nc(Nc5ccnn5C)ncc4C; Cc1cnc(nc1c2cn3c(
    n2)C(=O)N(C(C3)COC)Cc4ccc(c(c4)F)F)Nc5cc
    nn5C; COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c
    (F)c3)c4nc(Nc5ccnn5C)ncc4C; Cc1cnc(nc1c2
    cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)
    F)F)Nc5ccnn5C    		 (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;
    AZD0364
    27317 LI
    CHEMBL1234004
    DB01356    		 5 Li InChI=1S/Li/q+1;
    HBBGRARXTFLTSG-UHFFFAOYSA-N    		 [Li+] LITHIUM ION
    27318 LI0
    CHEMBL218222
    ZINC000049942337    		 2 C36 H40 N4 O6 S2 InChI=1S/C36H40N4O6S2/c1-
    35(2,26-47-30-12-8-5-9-13
    -30)37-32-19-18-31(24-33(
    32)40(42)43)48(44,45)38-3
    4(41)28-14-16-29(17-15-28
    )39-22-20-36(46-3,21-23-3
    9)25-27-10-6-4-7-11-27/h4
    -19,24,37H,20-23,25-26H2,
    1-3H3,(H,38,41);
    REQAXYXBBHHBCA-UHFFFAOYSA-N    		 COC1(CCN(CC1)c2ccc(cc2)C(=O)N[S](=O)(=O)
    c3ccc(NC(C)(C)CSc4ccccc4)c(c3)[N+]([O-])
    =O)Cc5ccccc5; [O-][N+](=O)c2cc(ccc2NC(C)
    (C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N
    4CCC(OC)(CC4)Cc5ccccc5; CC(C)(CSc1ccccc1
    )Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c
    3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC    		 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
    27319 LI1 0 C42 H86 O3 InChI=1S/C42H86O3/c1-35(2
    )19-13-11-10-12-14-21-37(
    5)23-17-28-41(9)30-32-45-
    42(33-43)34-44-31-29-40(8
    )27-18-26-39(7)25-16-24-3
    8(6)22-15-20-36(3)4/h35-4
    3H,10-34H2,1-9H3/t37-,38+
    ,39?,40+,41-,42-/m1/s1;
    YERVUJAKCNBGCR-BIHSMRAKSA-N    		 CC(C)CCCCCCCC(C)CCCC(C)CCOC(CO)COCCC(C)C
    CCC(C)CCCC(C)CCCC(C)C; OCC(OCCC(CCCC(CCC
    CCCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC
    (C)C; CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)C
    CO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C
    @@H](C)CCCC(C)C; CC(C)CCCCCCC[CH](C)CCC[
    CH](C)CCO[CH](CO)COCC[CH](C)CCC[CH](C)CC
    C[CH](C)CCCC(C)C    		 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL;
    LIPID FRAGMENT
    27320 LI2
    CHEMBL365776
    DB08091
    ZINC000003818635    		 1 C26 H25 F N4 O2 InChI=1S/C26H25FN4O2/c27-
    21-13-20(14-23(15-21)31-9
    -11-33-12-10-31)26(32)30-
    22-3-4-25-24(16-22)19(17-
    29-25)2-1-18-5-7-28-8-6-1
    8/h3-8,13-17,29H,1-2,9-12
    H2,(H,30,32);
    HIUFYIOMUILESI-UHFFFAOYSA-N    		 O=C(Nc2cc1c(cnc1cc2)CCc3ccncc3)c4cc(cc(F
    )c4)N5CCOCC5; c1cc2c(cc1NC(=O)c3cc(cc(c3
    )F)N4CCOCC4)c(c[nH]2)CCc5ccncc5; Fc1cc(c
    c(c1)C(=O)Nc2ccc3[nH]cc(CCc4ccncc4)c3c2)
    N5CCOCC5    		 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE
    27321 LI3
    CHEMBL195450
    DB08092    		 1 C19 H18 F N3 O2 InChI=1S/C19H18FN3O2/c20-
    15-9-14(11-17(12-15)23-5-
    7-25-8-6-23)19(24)22-16-1
    -2-18-13(10-16)3-4-21-18/
    h1-4,9-12,21H,5-8H2,(H,22
    ,24);
    VMLSXFMXUNVCSK-UHFFFAOYSA-N    		 Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]ccc3c2)N4CCO
    CC4; O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4C
    COCC4; c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c
    3)F)N4CCOCC4    		 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE
    27322 LI4
    CHEMBL195393
    DB08093    		 1 C16 H14 N2 O InChI=1S/C16H14N2O/c17-16
    -15(9-4-10-18-16)19-11-13
    -7-3-6-12-5-1-2-8-14(12)1
    3/h1-10H,11H2,(H2,17,18);
    SZANYTFSQVBOBA-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2COc3cccnc3N; Nc1ncccc1OC
    c2cccc3ccccc23; O(c1cccnc1N)Cc3c2ccccc2c
    cc3    		 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE
    27323 LI5
    ZINC000058650597    		 2 C7 H13 O6 P InChI=1S/C7H13O6P/c1-2-6(
    9)7(10)3-5(8)4-13-14(11)1
    2/h5,8,14H,2-4H2,1H3,(H,1
    1,12)/t5-/m1/s1;
    PYYIHKXJWNSAKF-RXMQYKEDSA-N    		 CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O; CCC(=
    O)C(=O)C[C@@H](O)CO[P@@H](O)=O; O=P(O)OC
    C(O)CC(=O)C(=O)CC; CCC(=O)C(=O)CC(COP(=O
    )O)O; CCC(=O)C(=O)C[CH](O)CO[PH](O)=O    		 2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE
    27324 LI6
    DB01754
    ZINC000100031141    		 1 C10 H9 N O3 InChI=1S/C10H9NO3/c1-11-7
    -5-3-2-4-6(7)8(12)9(13)10
    (11)14/h2-5,12-13H,1H3;
    BDLJEQMXDNMETQ-UHFFFAOYSA-N    		 CN1C(=O)C(=C(O)c2ccccc12)O; O=C2C(O)=C(O
    )c1c(cccc1)N2C; CN1c2ccccc2C(=C(C1=O)O)O    		 3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE
    27325 LI7
    DB03650
    ZINC000018137759    		 1 C14 H10 N2 O2 InChI=1S/C14H10N2O2/c17-1
    0-7-5-9(6-8-10)15-13-11-3
    -1-2-4-12(11)16-14(13)18/
    h1-8,17H,(H,15,16,18);
    ZJASRZFZRYISET-UHFFFAOYSA-N    		 O=C3C(=N/c1ccc(O)cc1)\c2ccccc2N3; c1ccc2
    c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2; Oc1ccc(
    cc1)N=C2C(=O)Nc3ccccc23; c1ccc2c(c1)C(=N
    c3ccc(cc3)O)C(=O)N2    		 (3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
    27326 LI8
    CHEMBL573108
    ZINC000003986667    		 1 C23 H31 Br N8 O3 InChI=1S/C23H31BrN8O3/c1-
    23(2,19(25)33)20(34)27-10
    -6-9-26-18-17(24)14-28-21
    (31-18)29-15-7-5-8-16(13-
    15)30-22(35)32-11-3-4-12-
    32/h5,7-8,13-14H,3-4,6,9-
    12H2,1-2H3,(H2,25,33)(H,2
    7,34)(H,30,35)(H2,26,28,2
    9,31);
    ZNSULAZTNWFKEW-UHFFFAOYSA-N    		 O=C(Nc2cccc(Nc1nc(NCCCNC(=O)C(C(=O)N)(C)
    C)c(Br)cn1)c2)N3CCCC3; CC(C)(C(=O)N)C(=O
    )NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC
    3)Br; CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2ccc
    c(NC(=O)N3CCCC3)c2)ncc1Br    		 N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
    27327 LI9
    CHEMBL1184822
    ZINC000012153011    		 1 C27 H29 F N6 O InChI=1S/C27H29FN6O/c1-18
    (19-6-4-3-5-7-19)31-27-30
    -17-14-23(32-27)25-24(20-
    8-10-21(28)11-9-20)26(35)
    34(33(25)2)22-12-15-29-16
    -13-22/h3-11,14,17-18,22,
    29H,12-13,15-16H2,1-2H3,(
    H,30,31,32)/t18-/m0/s1;
    OYTOWRNFVUUVHK-SFHVURJKSA-N    		 C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(
    N3C)C4CCNCC4)c5ccc(cc5)F; C[C@H](Nc1nccc
    (n1)C2=C(C(=O)N(C3CCNCC3)N2C)c4ccc(F)cc4
    )c5ccccc5; CC(c1ccccc1)Nc2nccc(n2)C3=C(C
    (=O)N(N3C)C4CCNCC4)c5ccc(cc5)F; C[CH](Nc
    1nccc(n1)C2=C(C(=O)N(C3CCNCC3)N2C)c4ccc(
    F)cc4)c5ccccc5; Fc1ccc(cc1)C2=C(N(N(C2=O
    )C3CCNCC3)C)c4nc(ncc4)NC(c5ccccc5)C    		 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
    27328 LIA
    CHEMBL384304
    DB08094
    ZINC000013983251    		 1 C18 H21 F2 N5 O4 S InChI=1S/C18H21F2N5O4S/c1
    -29-13-4-3-12(19)15(20)14
    (13)16(26)11-9-22-18(24-1
    7(11)21)23-10-5-7-25(8-6-
    10)30(2,27)28/h3-4,9-10H,
    5-8H2,1-2H3,(H3,21,22,23,
    24);
    JRNJNYBQQYBCLE-UHFFFAOYSA-N    		 COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S
    (=O)(=O)C)F)F; COc1ccc(F)c(F)c1C(=O)c2cn
    c(NC3CCN(CC3)[S](C)(=O)=O)nc2N; O=S(=O)(
    N3CCC(Nc2nc(N)c(C(=O)c1c(F)c(F)ccc1OC)cn
    2)CC3)C    		 (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE
    27329 LIB
    CHEMBL379760
    DB08095
    ZINC000016052060    		 1 C23 H26 Cl N5 O3 InChI=1S/C23H26ClN5O3/c1-
    15(23(2,3)31)26-21-25-14-
    13-20(28-21)29(16-9-11-17
    (32-4)12-10-16)22(30)27-1
    9-8-6-5-7-18(19)24/h5-15,
    31H,1-4H3,(H,27,30)(H,25,
    26,28)/t15-/m0/s1;
    ZWYFTKPEHRQCCW-HNNXBMFYSA-N    		 COc1ccc(cc1)N(C(=O)Nc2ccccc2Cl)c3ccnc(N[
    CH](C)C(C)(C)O)n3; CC(C(C)(C)O)Nc1nccc(n
    1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl; COc1c
    cc(cc1)N(C(=O)Nc2ccccc2Cl)c3ccnc(N[C@@H]
    (C)C(C)(C)O)n3; Clc1ccccc1NC(=O)N(c2nc(n
    cc2)NC(C(O)(C)C)C)c3ccc(OC)cc3; C[C@@H](
    C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)
    Nc3ccccc3Cl    		 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA;
    3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
    27330 LIC
    CHEMBL208963
    ZINC000013985996    		 1 C24 H28 Cl N5 O3 InChI=1S/C24H28ClN5O3/c1-
    16(24(2,3)32)28-22-26-14-
    13-21(29-22)30(18-9-11-19
    (33-4)12-10-18)23(31)27-1
    5-17-7-5-6-8-20(17)25/h5-
    14,16,32H,15H2,1-4H3,(H,2
    7,31)(H,26,28,29)/t16-/m0
    /s1;
    ZHBOBAJCKHPQBT-INIZCTEOSA-N    		 CC(C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(
    =O)NCc3ccccc3Cl; COc1ccc(cc1)N(C(=O)NCc2
    ccccc2Cl)c3ccnc(N[CH](C)C(C)(C)O)n3; Clc
    1ccccc1CNC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)
    c3ccc(OC)cc3; C[C@@H](C(C)(C)O)Nc1nccc(n
    1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl; COc1
    ccc(cc1)N(C(=O)NCc2ccccc2Cl)c3ccnc(N[C@@
    H](C)C(C)(C)O)n3    		 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA;
    3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
    27331 LID
    CHEMBL425616
    DB08096
    ZINC000016052082    		 1 C19 H15 Cl F2 N6 InChI=1S/C19H15ClF2N6/c1-
    2-28-17-15(25-19(28)24-14
    -9-4-3-6-11(14)20)10-23-1
    8(27-17)26-16-12(21)7-5-8
    -13(16)22/h3-10H,2H2,1H3,
    (H,24,25)(H,23,26,27);
    ZWKOUFZHPNIQSH-UHFFFAOYSA-N    		 CCn1c(Nc2ccccc2Cl)nc3cnc(Nc4c(F)cccc4F)n
    c13; Fc1cccc(F)c1Nc2ncc3nc(n(c3n2)CC)Nc4
    ccccc4Cl; CCn1c2c(cnc(n2)Nc3c(cccc3F)F)n
    c1Nc4ccccc4Cl    		 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM;
    3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
    27332 LIE
    CHEMBL380373
    DB08097
    ZINC000016052083    		 1 C20 H16 F3 N5 O InChI=1S/C20H16F3N5O/c1-1
    1(2)28-18-16(26-19(28)25-
    15-9-4-3-6-12(15)21)10-24
    -20(27-18)29-17-13(22)7-5
    -8-14(17)23/h3-11H,1-2H3,
    (H,25,26);
    OGWSGDLIXOEZJG-UHFFFAOYSA-N    		 CC(C)n1c(Nc2ccccc2F)nc3cnc(Oc4c(F)cccc4F
    )nc13; Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C)
    C)Nc3ccccc3F; CC(C)n1c2c(cnc(n2)Oc3c(ccc
    c3F)F)nc1Nc4ccccc4F    		 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE
    27333 LIF
    CHEMBL194911
    DB04727
    ZINC000003988862    		 1 C27 H19 F4 N5 O3 InChI=1S/C27H19F4N5O3/c1-
    38-18-9-4-15(5-10-18)23-2
    1(22-24(32)33-13-34-25(22
    )39-23)14-2-7-17(8-3-14)3
    5-26(37)36-20-12-16(27(29
    ,30)31)6-11-19(20)28/h2-1
    3H,1H3,(H2,32,33,34)(H2,3
    5,36,37);
    FGZIONRFHVNRJB-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)
    NC(=O)Nc5cc(ccc5F)C(F)(F)F; FC(F)(F)c1cc
    (c(F)cc1)NC(=O)Nc5ccc(c2c4c(ncnc4oc2c3cc
    c(OC)cc3)N)cc5; COc1ccc(cc1)c2oc3ncnc(N)
    c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4    		 N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA;
    N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
    27334 LIG 0 C15 H11 N3 InChI=1S/C15H11N3/c1-2-4-
    12-11(3-1)9-13-14(17-18-1
    5(12)13)10-5-7-16-8-6-10/
    h1-8H,9H2,(H,17,18);
    NHOACLCXCKJMAK-UHFFFAOYSA-N    		 C1c2ccccc2c3n[nH]c(c13)c4ccncc4; c1ccc-2
    c(c1)Cc3c2n[nH]c3c4ccncc4; n4ccc(c1c3c(n
    n1)c2ccccc2C3)cc4    		 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
    27335 LIH
    CHEMBL151958
    DB03351
    ZINC000012503486    		 1 C18 H17 N7 InChI=1S/C18H17N7/c1-10-1
    1(9-23-17-15(10)16(19)24-
    18(20)25-17)8-22-14-6-2-5
    -13-12(14)4-3-7-21-13/h2-
    7,9,22H,8H2,1H3,(H4,19,20
    ,23,24,25);
    KMSATRJZEXNGDP-UHFFFAOYSA-N    		 Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4;
    n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4
    ; Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c1
    4    		 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE;
    SRI-9439
    27336 LII
    DB03060
    ZINC000005891398    		 1 C18 H19 N5 O2 InChI=1S/C18H19N5O2/c1-10
    -12(9-21-17-15(10)16(19)2
    2-18(20)23-17)5-4-11-8-13
    (24-2)6-7-14(11)25-3/h4-9
    H,1-3H3,(H4,19,20,21,22,2
    3)/b5-4-;
    WNDJHUNKXPAREB-PLNGDYQASA-N    		 Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)
    OC; n1cc(c(c2c1nc(nc2N)N)C)/C=C\c3cc(OC)
    ccc3OC; Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(c
    cc3OC)OC; COc1ccc(OC)c(C=Cc2cnc3nc(N)nc(
    N)c3c2C)c1; COc1ccc(OC)c(\C=C/c2cnc3nc(N
    )nc(N)c3c2C)c1    		 (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE;
    SRI-9662
    27337 LIJ
    ZINC000024813442    		 3 C36 H49 N3 O7 S InChI=1S/C36H49N3O7S/c1-4
    -13-31(14-5-2)47(43,44)26
    -33(39-36(42)46-25-28-17-
    10-7-11-18-28)35(41)38-32
    (22-27-15-8-6-9-16-27)34(
    40)24-37-23-29-19-12-20-3
    0(21-29)45-3/h6-12,15-21,
    31-34,37,40H,4-5,13-14,22
    -26H2,1-3H3,(H,38,41)(H,3
    9,42)/t32-,33+,34+/m0/s1;
    FJYALDRNDKNYKU-LBFZIJHGSA-N    		 CCCC(CCC)S(=O)(=O)CC(C(=O)NC(Cc1ccccc1)C
    (CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3; CCC
    C(CCC)[S](=O)(=O)C[CH](NC(=O)OCc1ccccc1)
    C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(OC
    )c3; CCCC(CCC)[S](=O)(=O)C[C@@H](NC(=O)O
    Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O
    )CNCc3cccc(OC)c3; O=S(=O)(C(CCC)CCC)CC(N
    C(=O)OCc1ccccc1)C(=O)NC(Cc2ccccc2)C(O)CN
    Cc3cc(OC)ccc3; CCCC(CCC)S(=O)(=O)C[C@H](
    C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(
    c2)OC)O)NC(=O)OCc3ccccc3    		 BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
    27338 LIK
    ZINC000016052130    		 1 C12 H20 O2 InChI=1S/C12H20O2/c1-4-5-
    6-10(2)7-8-11(3)9-12(13)1
    4/h2-9H2,1H3,(H,13,14);
    YOHXQMVSYCADHX-UHFFFAOYSA-N    		 CCCCC(=C)CCC(=C)CC(O)=O; O=C(O)CC(=C)\CC
    /C(=C)CCCC; CCCCC(=C)CCC(=C)CC(=O)O    		 3,6-BIS(METHYLENE)DECANOIC ACID
    27339 LIL
    DB01814
    ZINC000014880077    		 4 C28 H54 O4 InChI=1S/C28H54O4/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    26(25-27(29)30)32-28(31)2
    4-22-20-18-16-14-12-10-8-
    6-4-2/h26H,3-25H2,1-2H3,(
    H,29,30)/t26-/m0/s1;
    WLKQLKMXKFGMQI-SANMLTNESA-N    		 CCCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCC
    CCCCC; O=C(O)CC(OC(=O)CCCCCCCCCCCC)CCCCC
    CCCCCCC; CCCCCCCCCCCC[CH](CC(O)=O)OC(=O)
    CCCCCCCCCCCC; CCCCCCCCCCCCC(CC(=O)O)OC(=
    O)CCCCCCCCCCCC; CCCCCCCCCCCC[C@@H](CC(=O
    )O)OC(=O)CCCCCCCCCCCC    		 2-TRIDECANOYLOXY-PENTADECANOIC ACID
    27340 LIM
    DB04039
    ZINC000014881012    		 4 C15 H28 O3 InChI=1S/C15H28O3/c1-2-3-
    4-5-6-7-8-9-10-11-12-14(1
    6)13-15(17)18/h2-13H2,1H3
    ,(H,17,18);
    CJTNJZWHYGHVCD-UHFFFAOYSA-N    		 O=C(CCCCCCCCCCCC)CC(=O)O; CCCCCCCCCCCCC(
    =O)CC(O)=O; CCCCCCCCCCCCC(=O)CC(=O)O    		 3-OXO-PENTADECANOIC ACID
    27341 LIN 0 C4 H6 O3 InChI=1/C4H6O3/c1-3(5)2-4
    (6)7/h2H2,1H3,(H,6,7)/f/h
    6H;
    WDJHALXBUFZDSR-BRMMOCHJCT    		 CC(=O)CC(=O)O; O=C(C)CC(=O)O; CC(=O)CC(O
    )=O    		 3-OXO-BUTYRIC ACID
    27342 LIO
    ZINC000015493930    		 0 C33 H67 N O8 P InChI=1S/C33H66NO8P/c1-6-
    8-10-12-14-15-16-17-18-20
    -21-23-25-32(35)39-29-31(
    30-41-43(37,38)40-28-27-3
    4(3,4)5)42-33(36)26-24-22
    -19-13-11-9-7-2/h31H,6-30
    H2,1-5H3/p+1/t31-/m1/s1;
    YAOVLDDMIGILIT-WJOKGBTCSA-O    		 CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)
    OCC[N+](C)(C)C)OC(=O)CCCCCCCCC; CCCCCCCC
    CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)
    OC(=O)CCCCCCCCC; CCCCCCCCCCCCCCC(=O)OC[C
    @H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)C
    CCCCCCCC; CCCCCCCCCCCCCCC(=O)OC[CH](CO[P
    ](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC;
    O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)C
    CCCCCCCCCCCCC)CCCCCCCCC    		 [1-PENTADECANOYL-2-DECANOYL-GLYCEROL-3-YL]PHOSPHONYL CHOLINE
    27343 LIP
    DB03542    		 6 C6 H11 O9 P InChI=1S/C6H13O9P/c7-1-2(
    8)4(10)6(5(11)3(1)9)15-16
    (12,13)14/h1-11H,(H2,12,1
    3,14)/p-2/t1-,2-,3+,4-,5-
    ,6-/m0/s1;
    INAPMGSXUVUWAF-PTQMNWPWSA-L    		 [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(
    =O)([O-])[O-])O)O; O[C@@H]1[C@@H](O)[C@H
    ](O)[C@@H](O[P]([O-])([O-])=O)[C@@H](O)[
    C@H]1O; O=P([O-])([O-])OC1C(O)C(O)C(O)C(
    O)C1O; C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-]
    )O)O)O; O[CH]1[CH](O)[CH](O)[CH](O[P]([O
    -])([O-])=O)[CH](O)[CH]1O    		 L-MYO-INOSITOL-1-PHOSPHATE
    27344 LIQ
    ZINC000024814419    		 1 C33 H42 F2 N4 O5 S InChI=1S/C33H42F2N4O5S/c1
    -3-5-6-13-45(43,44)22-30(
    39-32(41)26-11-8-12-36-20
    -26)33(42)38-29(17-25-15-
    27(34)18-28(35)16-25)31(4
    0)21-37-19-24-10-7-9-23(4
    -2)14-24/h7-12,14-16,18,2
    0,29-31,37,40H,3-6,13,17,
    19,21-22H2,1-2H3,(H,38,42
    )(H,39,41)/t29-,30+,31+/m
    0/s1;
    IOTPZWJUHSYLHJ-OJDZSJEKSA-N    		 CCCCC[S](=O)(=O)C[CH](NC(=O)c1cccnc1)C(=
    O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc
    (CC)c3; O=C(NC(C(=O)NC(Cc1cc(F)cc(F)c1)C
    (O)CNCc2cccc(c2)CC)CS(=O)(=O)CCCCC)c3ccc
    nc3; CCCCCS(=O)(=O)CC(C(=O)NC(Cc1cc(cc(c
    1)F)F)C(CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3
    ; CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1c
    c(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(
    =O)c3cccnc3; CCCCC[S](=O)(=O)C[C@@H](NC(
    =O)c1cccnc1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2
    )[C@H](O)CNCc3cccc(CC)c3    		 N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
    27345 LIR
    ZINC000103548516    		 1 C19 H21 N6 O2 InChI=1S/C19H20N6O2/c1-23
    -17(26)15-16(18(23)27)25(
    10-13-6-3-2-5-12(13)9-20)
    19(22-15)24-8-4-7-14(21)1
    1-24/h2-3,5-6,14H,4,7-8,1
    0-11,21H2,1H3/p+1/t14-/m0
    /s1;
    WVRGIUWTFUXDGX-AWEZNQCLSA-O    		 CN1C(=O)c2c([n+](c([nH]2)N3CCCC(C3)N)Cc4
    ccccc4C#N)C1=O; N#Cc1ccccc1C[n+]2c(nc3c2
    C(=O)N(C3=O)C)N4CCCC(N)C4; CN1C(=O)c2[nH
    ]c(N3CCC[CH](N)C3)[n+](Cc4ccccc4C#N)c2C1
    =O; CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H]
    (C3)N)Cc4ccccc4C#N)C1=O; CN1C(=O)c2[nH]c
    (N3CCC[C@H](N)C3)[n+](Cc4ccccc4C#N)c2C1=
    O    		 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
    27346 LIS
    DB03191    		 0 C5 H9 N O3 InChI=1S/C5H9NO3/c6-4(5(7
    )8)1-3-2-9-3/h3-4H,1-2,6H
    2,(H,7,8)/t3-,4-/m0/s1;
    HKPCHCJYQVJLIZ-IMJSIDKUSA-N    		 O=C(O)C(N)CC1OC1; C1[C@@H](O1)C[C@@H](C(
    =O)O)N; N[CH](C[CH]1CO1)C(O)=O; N[C@@H](
    C[C@H]1CO1)C(O)=O; C1C(O1)CC(C(=O)O)N    		 (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID;
    3-OXIRAN-2YLALANINE
    27347 LIT
    DB08098    		 1 C8 H5 N3 O6 S InChI=1S/C8H5N3O6S/c12-6(
    13)3-18-8-10-9-7(17-8)4-1
    -2-5(16-4)11(14)15/h1-2H,
    3H2,(H,12,13);
    ITBNJCVIFHSKRL-UHFFFAOYSA-N    		 c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-];
    OC(=O)CSc1oc(nn1)c2oc(cc2)[N+]([O-])=O;
    O=C(O)CSc1nnc(o1)c2oc([N+]([O-])=O)cc2    		 {[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
    27348 LIU
    CHEMBL387141
    ZINC000036161296    		 1 C30 H36 N4 O5 S2 InChI=1S/C30H36N4O5S2/c1-
    29(2)16-18-33(19-17-29)23
    -12-10-22(11-13-23)28(35)
    32-41(38,39)25-14-15-26(2
    7(20-25)34(36)37)31-30(3,
    4)21-40-24-8-6-5-7-9-24/h
    5-15,20,31H,16-19,21H2,1-
    4H3,(H,32,35);
    FQHHQKOASLDQEQ-UHFFFAOYSA-N    		 CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3c
    cc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)
    C; CC1(C)CCN(CC1)c2ccc(cc2)C(=O)N[S](=O)
    (=O)c3ccc(NC(C)(C)CSc4ccccc4)c(c3)[N+]([
    O-])=O; [O-][N+](=O)c2cc(ccc2NC(C)(C)CSc
    1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(C
    C4)(C)C    		 N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
    27349 LIV
    CHEMBL389029
    DB04728
    ZINC000253673980    		 1 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
    27350 LIW
    CHEMBL218223
    ZINC000049942338    		 1 C40 H41 N5 O5 S2 InChI=1S/C40H41N5O5S2/c1-
    40(2,29-51-34-14-7-4-8-15
    -34)41-37-22-21-35(27-38(
    37)45(47)48)52(49,50)42-3
    9(46)31-17-19-33(20-18-31
    )44-25-23-43(24-26-44)28-
    32-13-9-10-16-36(32)30-11
    -5-3-6-12-30/h3-22,27,41H
    ,23-26,28-29H2,1-2H3,(H,4
    2,46);
    QASBRWUYQCIPKZ-UHFFFAOYSA-N    		 CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])
    S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cc
    ccc5c6ccccc6; CC(C)(CSc1ccccc1)Nc2ccc(cc
    2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3
    )N4CCN(CC4)Cc5ccccc5c6ccccc6; [O-][N+](=
    O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)N
    C(=O)c6ccc(N5CCN(Cc4c(c3ccccc3)cccc4)CC5
    )cc6    		 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
    27351 LIX
    CHEMBL1234021
    ZINC000014966605    		 2 C32 H38 N6 O5 S InChI=1S/C32H38N6O5S/c1-5
    -25-28(23-12-14-27-26(20-
    23)38(17-8-18-42-4)30(39)
    32(2,3)43-27)29(37-31(33)
    36-25)34-15-16-35-44(40,4
    1)24-13-11-21-9-6-7-10-22
    (21)19-24/h6-7,9-14,19-20
    ,35H,5,8,15-18H2,1-4H3,(H
    3,33,34,36,37);
    RRWBDAPAGFVYPT-UHFFFAOYSA-N    		 CCc1nc(N)nc(NCCN[S](=O)(=O)c2ccc3ccccc3c
    2)c1c4ccc5OC(C)(C)C(=O)N(CCCOC)c5c4; O=S
    (=O)(c2cc1ccccc1cc2)NCCNc5nc(nc(c5c4ccc3
    OC(C(=O)N(c3c4)CCCOC)(C)C)CC)N; CCc1c(c(
    nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4cc
    c5c(c4)N(C(=O)C(O5)(C)C)CCCOC    		 N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE
    27352 LIY
    DB08099
    ZINC000014966595    		 2 C25 H31 N5 O InChI=1S/C25H31N5O/c1-3-2
    0-23(24(26)29-25(27)28-20
    )19-11-10-18-12-13-21(17-
    8-5-4-6-9-17)30(22(18)16-
    19)14-7-15-31-2/h4-6,8-11
    ,16,21H,3,7,12-15H2,1-2H3
    ,(H4,26,27,28,29)/t21-/m0
    /s1;
    UOYVKYJWAXJTTE-NRFANRHFSA-N    		 CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(CC3)c4c
    cccc4)CCCOC; CCc1c(c(nc(n1)N)N)c2ccc3c(c
    2)N([C@@H](CC3)c4ccccc4)CCCOC; n4c(c(c1c
    cc3c(c1)N(C(c2ccccc2)CC3)CCCOC)c(nc4N)N)
    CC; CCc1nc(N)nc(N)c1c2ccc3CC[CH](N(CCCOC
    )c3c2)c4ccccc4; CCc1nc(N)nc(N)c1c2ccc3CC
    [C@H](N(CCCOC)c3c2)c4ccccc4    		 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE
    27353 LIZ
    ZINC000058649372    		 6 C30 H45 N5 O13 S InChI=1S/C30H45N5O13S/c36
    -16-30(17-37,18-38)32-29(
    49)31-20-7-5-19(6-8-20)9-
    21(33(11-24(39)40)12-25(4
    1)42)10-34(13-26(43)44)22
    -3-1-2-4-23(22)35(14-27(4
    5)46)15-28(47)48/h5-8,21-
    23,36-38H,1-4,9-18H2,(H,3
    9,40)(H,41,42)(H,43,44)(H
    ,45,46)(H,47,48)(H2,31,32
    ,49)/t21-,22+,23+/m1/s1;
    ZDJITWBUQUCYMP-VJBWXMMDSA-N    		 S=C(NC(CO)(CO)CO)Nc1ccc(cc1)CC(N(CC(=O)O
    )CC(=O)O)CN(CC(=O)O)C2CCCCC2N(CC(=O)O)CC
    (=O)O; OCC(CO)(CO)NC(=S)Nc1ccc(C[CH](CN(
    CC(O)=O)[CH]2CCCC[CH]2N(CC(O)=O)CC(O)=O)
    N(CC(O)=O)CC(O)=O)cc1; OCC(CO)(CO)NC(=S)
    Nc1ccc(C[C@H](CN(CC(O)=O)[C@H]2CCCC[C@@H
    ]2N(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)cc
    1; c1cc(ccc1CC(CN(CC(=O)O)C2CCCCC2N(CC(=
    O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(C
    O)(CO)CO; c1cc(ccc1C[C@H](C[N@](CC(=O)O)
    [C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(
    =O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO    		 N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
    27354 LJ0 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-9-6
    -7-15-8-12(9)16-14(17)13-
    10-4-2-3-5-11(10)13/h6-8,
    10-11,13H,2-5H2,1H3,(H,16
    ,17)/t10-,11+,13+;
    UPGQLXSOIHDKRZ-PJXYFTJBSA-N    		 Cc1ccncc1NC(=O)C2[C@@H]3CCCC[C@H]23; Cc1
    ccncc1NC(=O)C2[C@H]3[C@@H]2CCCC3; Cc1ccn
    cc1NC(=O)C2C3C2CCCC3; Cc1ccncc1NC(=O)C2[
    CH]3CCCC[CH]23; O=C(Nc1cnccc1C)C1C2CCCCC
    21    		 (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
    27355 LJ1
    CHEMBL55960
    DB08100
    ZINC000029548831    		 2 C16 H16 O InChI=1S/C16H16O/c1-12-10
    -15(11-13(2)16(12)17)9-8-
    14-6-4-3-5-7-14/h3-11,17H
    ,1-2H3/b9-8+;
    PAHKYLUYTGBFNW-CMDGGOBGSA-N    		 Cc1cc(\C=C\c2ccccc2)cc(C)c1O; Cc1cc(cc(c
    1O)C)C=Cc2ccccc2; Cc1cc(C=Cc2ccccc2)cc(C
    )c1O; Cc1cc(cc(c1O)C)\C=C\c2ccccc2; Oc2c
    (cc(\C=C\c1ccccc1)cc2C)C    		 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol;
    3,5-Dimethyl-4-hydroxystilbene
    27356 LJ2
    CHEMBL450995
    DB08101
    ZINC000040836561    		 2 C14 H10 Br2 O InChI=1S/C14H10Br2O/c15-1
    2-8-11(9-13(16)14(12)17)7
    -6-10-4-2-1-3-5-10/h1-9,1
    7H/b7-6+;
    WMVYUPRIADVLTH-VOTSOKGWSA-N    		 c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br; c1cc
    c(cc1)C=Cc2cc(c(c(c2)Br)O)Br; Oc1c(Br)cc
    (\C=C\c2ccccc2)cc1Br; Brc1cc(cc(Br)c1O)\
    C=C\c2ccccc2; Oc1c(Br)cc(C=Cc2ccccc2)cc1
    Br    		 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol;
    3,5-Dibromo-4-hydroxystilbene
    27357 LJ3
    CHEMBL493062
    DB08102
    ZINC000000405065    		 2 C12 H8 Br2 O InChI=1S/C12H8Br2O/c13-10
    -6-9(7-11(14)12(10)15)8-4
    -2-1-3-5-8/h1-7,15H;
    SKQRVOXIIAXXEM-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(c(c(c2)Br)O)Br; Brc1cc(cc
    (Br)c1O)c2ccccc2; Oc1c(Br)cc(cc1Br)c2ccc
    cc2    		 3,5-dibromobiphenyl-4-ol;
    3,5-Dibromo-4-hydroxybiphenyl
    27358 LJ4
    CHEMBL501942
    DB08103
    ZINC000034512355    		 1 C12 H8 Br2 O2 InChI=1S/C12H8Br2O2/c13-1
    0-6-9(7-11(14)12(10)15)16
    -8-4-2-1-3-5-8/h1-7,15H;
    CRSZEDOZGJPOHP-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br; Brc2cc(O
    c1ccccc1)cc(Br)c2O; Oc1c(Br)cc(Oc2ccccc2
    )cc1Br    		 2,6-dibromo-4-phenoxyphenol;
    1,3-Dibromo-2-hydroxy-5-phenoxybenzene
    27359 LJ5
    CHEMBL452648
    DB08104
    ZINC000000945266    		 2 C13 H9 Br2 N O2 InChI=1S/C13H9Br2NO2/c14-
    10-6-9(7-11(15)12(10)17)1
    6-13(18)8-4-2-1-3-5-8/h1-
    7,17H,(H,16,18);
    HKODPZBPODONGO-UHFFFAOYSA-N    		 Brc1cc(cc(Br)c1O)NC(=O)c2ccccc2; c1ccc(c
    c1)C(=O)Nc2cc(c(c(c2)Br)O)Br; Oc1c(Br)cc
    (NC(=O)c2ccccc2)cc1Br    		 N-(3,5-dibromo-4-hydroxyphenyl)benzamide
    27360 LJ6
    ZINC000096416882    		 2 C11 H18 N2 O2 InChI=1S/C11H18N2O2/c1-7(
    11(14)13(4)5)6-10-8(2)12-
    15-9(10)3/h7H,6H2,1-5H3/t
    7-/m1/s1;
    NIHQHFJWDDQIMY-SSDOTTSWSA-N    		 Cc1c(c(on1)C)CC(C)C(=O)N(C)C; C[CH](Cc1c
    (C)onc1C)C(=O)N(C)C; C[C@H](Cc1c(C)onc1C
    )C(=O)N(C)C; CC(Cc1c(C)onc1C)C(=O)N(C)C;
    Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C    		 (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide
    27361 LJ7 1 C14 H16 F N3 O InChI=1S/C14H16FN3O/c1-10
    (2)18-8-7-13(17-18)14(19)
    16-9-11-3-5-12(15)6-4-11/
    h3-8,10H,9H2,1-2H3,(H,16,
    19);
    LNEKDDDRHINJQA-UHFFFAOYSA-N    		 CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F; n1(nc(
    cc1)C(NCc2ccc(cc2)F)=O)C(C)C; CC(C)n1ccc
    (n1)C(=O)NCc2ccc(F)cc2    		 N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
    27362 LJ8 8 C18 H28 N O5 P InChI=1S/C18H28NO5P/c1-14
    (7-8-15-5-3-2-4-6-15)11-1
    2-25(23,24)13-16(18(21)22
    )9-10-17(19)20/h2-6,14,16
    H,7-13H2,1H3,(H2,19,20)(H
    ,21,22)(H,23,24)/t14-,16+
    /m0/s1;
    QVWDMOWNQBVUFQ-GOEBONIOSA-N    		 C[C@@H](CCc1ccccc1)CC[P](O)(=O)C[C@@H](C
    CC(N)=O)C(O)=O; C[C@@H](CCc1ccccc1)CCP(=
    O)(C[C@@H](CCC(=O)N)C(=O)O)O; C[CH](CCc1
    ccccc1)CC[P](O)(=O)C[CH](CCC(N)=O)C(O)=O
    ; CC(CCc1ccccc1)CCP(=O)(CC(CCC(=O)N)C(=O
    )O)O    		 (2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid
    27363 LJ9
    ZINC000072142437    		 1 C21 H24 N4 InChI=1S/C21H24N4/c1-2-20
    -19-9-8-18(24-13-15-11-22
    -12-16(15)14-24)10-21(19)
    25(23-20)17-6-4-3-5-7-17/
    h3-10,15-16,22H,2,11-14H2
    ,1H3/t15-,16+;
    JRGJWNYNELQBIY-IYBDPMFKSA-N    		 CCc1c2ccc(cc2n(n1)c3ccccc3)N4CC5CNCC5C4;
    n2c(c1ccc(cc1n2c3ccccc3)N5CC4CNCC4C5)CC
    ; CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CN
    C[C@H]5C4; CCc1nn(c2ccccc2)c3cc(ccc13)N4
    C[C@@H]5CNC[C@@H]5C4; CCc1nn(c2ccccc2)c3
    cc(ccc13)N4C[CH]5CNC[CH]5C4    		 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole
    27364 LJA
    ZINC000000349236    		 10 C9 H11 N3 O2 InChI=1S/C9H11N3O2/c1-6(1
    3)11-7-3-2-4-8(5-7)12-9(1
    0)14/h2-5H,1H3,(H,11,13)(
    H3,10,12,14);
    GVNXANNAMKHSRF-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(NC(N)=O)c1; N(C(C)=O)c1ccc
    c(c1)NC(N)=O; CC(=O)Nc1cccc(c1)NC(=O)N    		 N-[3-(carbamoylamino)phenyl]acetamide
    27365 LJB 6 H15 Mo8 O26 InChI=1S/8Mo.15H2O.11O/h;
    ;;;;;;;15*1H2;;;;;;;;;;;/
    q2*+1;5*+2;+3;;;;;;;;;;;;
    ;;;;;;;;;5*+1;+2/p-15;
    BTBGOQYWAXYGKM-UHFFFAOYSA-A    		 O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo
    ]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O
    [Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+
    ]79)[O++]168)[O+]2%10; O[Mo]12[O+]3[Mo]4
    (O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O
    +]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O
    2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O    		 MO(8)-O(26) Cluster
    27366 LJC 1 C17 H20 O6 InChI=1S/C17H20O6/c1-22-1
    5-7-10(3-5-13(15)19)12(9-
    18)17(21)11-4-6-14(20)16(
    8-11)23-2/h3-8,12,17-21H,
    9H2,1-2H3/t12-,17-/m1/s1;
    DFUOJBWSSSODTR-SJKOYZFVSA-N    		 COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC
    )c2; COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O
    )O; COc1cc(ccc1O)[C@@H](O)[C@H](CO)c2ccc
    (O)c(OC)c2; COc1cc(ccc1O)[C@@H](CO)[C@@H
    ](c2ccc(c(c2)OC)O)O    		 (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
    27367 LJD
    ZINC000017324125    		 1 C12 H12 Cl N3 O InChI=1S/C12H12ClN3O/c1-1
    6-8-10(7-15-16)12(17)14-6
    -9-2-4-11(13)5-3-9/h2-5,7
    -8H,6H2,1H3,(H,14,17);
    LBSYJSKGYMMGBC-UHFFFAOYSA-N    		 n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C; Cn1cc(c
    n1)C(=O)NCc2ccc(Cl)cc2; Cn1cc(cn1)C(=O)N
    Cc2ccc(cc2)Cl    		 N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
    27368 LJE
    ZINC000058650423    		 2 C24 H17 F3 N4 O2 InChI=1S/C24H17F3N4O2/c1-
    15-12-18(31-22(32)16-4-2-
    5-17(13-16)24(25,26)27)7-
    8-21(15)33-23-19(6-3-10-2
    9-23)20-9-11-28-14-30-20/
    h2-14H,1H3,(H,31,32);
    OHDDQNLJTAKXQT-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(c1)C(=O)Nc4ccc(Oc2ncccc2c
    3ncncc3)c(c4)C; Cc1cc(ccc1Oc2c(cccn2)c3c
    cncn3)NC(=O)c4cccc(c4)C(F)(F)F; Cc1cc(NC
    (=O)c2cccc(c2)C(F)(F)F)ccc1Oc3ncccc3c4cc
    ncn4    		 N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
    27369 LJF
    ZINC000058660785    		 1 C29 H21 F N6 O2 InChI=1S/C29H21FN6O2/c1-3
    1-29-33-18-24(30)26(36-29
    )23-11-7-17-32-28(23)38-2
    1-15-13-20(14-16-21)35-27
    (37)22-10-5-6-12-25(22)34
    -19-8-3-2-4-9-19/h2-18,34
    H,1H2,(H,35,37);
    VGOJUQQDRYARLG-UHFFFAOYSA-N    		 Fc1cnc(N=C)nc1c2cccnc2Oc3ccc(NC(=O)c4ccc
    cc4Nc5ccccc5)cc3; C=Nc1ncc(c(n1)c2cccnc2
    Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F; O=
    C(c2ccccc2Nc1ccccc1)Nc5ccc(Oc4ncccc4c3nc
    (/N=C)ncc3F)cc5    		 N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
    27370 LJG
    CHEMBL490184
    ZINC000040421642    		 3 C24 H39 N5 O4 S2 InChI=1S/C24H39N5O4S2/c1-
    19(2)17-28(34(30,31)23-9-
    5-21(25)6-10-23)15-13-27-
    14-16-29(18-20(3)4)35(32,
    33)24-11-7-22(26)8-12-24/
    h5-12,19-20,27H,13-18,25-
    26H2,1-4H3;
    BMXYVKCLBAGXOY-UHFFFAOYSA-N    		 CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1
    )N)S(=O)(=O)c2ccc(cc2)N; CC(C)CN(CCNCCN(
    CC(C)C)[S](=O)(=O)c1ccc(N)cc1)[S](=O)(=O
    )c2ccc(N)cc2; O=S(=O)(c1ccc(N)cc1)N(CC(C
    )C)CCNCCN(CC(C)C)S(=O)(=O)c2ccc(N)cc2    		 N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]
    27371 LJH
    CHEMBL519079
    ZINC000042878048    		 2 C30 H35 N5 O4 S2 InChI=1S/C30H35N5O4S2/c31
    -27-11-15-29(16-12-27)40(
    36,37)34(23-25-7-3-1-4-8-
    25)21-19-33-20-22-35(24-2
    6-9-5-2-6-10-26)41(38,39)
    30-17-13-28(32)14-18-30/h
    1-18,33H,19-24,31-32H2;
    LGNWJMPLPCSVBL-UHFFFAOYSA-N    		 c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c
    3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N; O=S(=O)
    (c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc
    3)S(=O)(=O)c4ccc(N)cc4; Nc1ccc(cc1)[S](=
    O)(=O)N(CCNCCN(Cc2ccccc2)[S](=O)(=O)c3cc
    c(N)cc3)Cc4ccccc4    		 N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
    27372 LJJ 1 C10 H17 N3 O InChI=1S/C10H17N3O/c1-8-1
    2-13-10(14-8)11-9-6-4-2-3
    -5-7-9/h9H,2-7H2,1H3,(H,1
    1,13);
    BHDKFMDJCREHTJ-UHFFFAOYSA-N    		 Cc1nnc(o1)NC2CCCCCC2; Cc1oc(NC2CCCCCC2)n
    n1; n2nc(NC1CCCCCC1)oc2C    		 N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
    27373 LJK
    ZINC000065403711    		 1 C10 H17 N3 O InChI=1S/C10H17N3O/c1-5-1
    0(3,4)11-9(14)8-6-7(2)12-
    13-8/h6H,5H2,1-4H3,(H,11,
    14)(H,12,13);
    ZDAUOJUKQPYKAC-UHFFFAOYSA-N    		 CCC(C)(C)NC(=O)c1cc(n[nH]1)C; CCC(C)(C)N
    C(=O)c1[nH]nc(C)c1; O=C(NC(C)(C)CC)c1cc(
    C)n[NH]1    		 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
    27374 LJL 1 C17 H20 O6 InChI=1S/C17H20O6/c1-22-1
    5-7-10(3-5-13(15)19)12(9-
    18)17(21)11-4-6-14(20)16(
    8-11)23-2/h3-8,12,17-21H,
    9H2,1-2H3/t12-,17+/m1/s1;
    DFUOJBWSSSODTR-PXAZEXFGSA-N    		 COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC
    )c2; COc1cc(ccc1O)[C@H](O)[C@H](CO)c2ccc
    (O)c(OC)c2; COc1cc(ccc1O)[C@@H](CO)[C@H]
    (c2ccc(c(c2)OC)O)O; COc1cc(ccc1O)C(CO)C(
    c2ccc(c(c2)OC)O)O    		 (1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
    27375 LJM 1 C13 H13 F N2 O S InChI=1S/C13H13FN2OS/c1-2
    -11-8-16-13(18-11)12(17)1
    5-7-9-3-5-10(14)6-4-9/h3-
    6,8H,2,7H2,1H3,(H,15,17);
    RQZLQKRNRVOGMG-UHFFFAOYSA-N    		 CCc1cnc(s1)C(=O)NCc2ccc(cc2)F; n2c(C(NCc
    1ccc(F)cc1)=O)sc(c2)CC; CCc1sc(nc1)C(=O)
    NCc2ccc(F)cc2    		 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
    27376 LJN
    CHEMBL1683328
    ZINC000066077721    		 3 C10 H17 N4 O8 P InChI=1S/C10H17N4O8P/c1-5
    (15)11-2-6-3-14(13-12-6)1
    0-9(17)8(16)7(22-10)4-21-
    23(18,19)20/h3,7-10,16-17
    H,2,4H2,1H3,(H,11,15)(H2,
    18,19,20)/t7-,8-,9-,10-/m
    1/s1;
    WKSDLIPBAPRDGN-ZYUZMQFOSA-N    		 CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)O)O)O; CC(=O)NCc1cn(nn1)
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;
    CC(=O)NCc1cn(nn1)C2C(C(C(O2)COP(=O)(O)O)
    O)O; CC(=O)NCc1cn(nn1)[C@@H]2O[C@H](CO[P
    ](O)(O)=O)[C@@H](O)[C@H]2O    		 [(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
    27377 LJO 1 C12 H13 N3 O2 InChI=1S/C12H13N3O2/c1-9-
    2-4-14-6-10(9)15-11(16)12
    (7-13)3-5-17-8-12/h2,4,6H
    ,3,5,8H2,1H3,(H,15,16)/t1
    2-/m1/s1;
    UDNOYHYGEXMWIJ-GFCCVEGCSA-N    		 Cc1ccncc1NC(=O)C2(CCOC2)C#N; Cc1ccncc1NC
    (=O)[C@]2(CCOC2)C#N; N#CC1(CCOC1)C(=O)Nc
    1cnccc1C; Cc1ccncc1NC(=O)[C]2(CCOC2)C#N    		 (3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide
    27378 LJP
    CHEMBL4075348
    DB16835    		 1 C16 H20 N4 O3 S InChI=1S/C16H20N4O3S/c1-1
    5(2)7-8-10(12(17)21)14(24
    -11(8)16(3,4)23-15)19-13(
    22)9-5-6-18-20-9/h5-6H,7H
    2,1-4H3,(H2,17,21)(H,18,2
    0)(H,19,22);
    GHTGYZMBQPXTCQ-UHFFFAOYSA-N    		 CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3
    )C(=O)N)C; CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n
    3)c2C(N)=O)C(C)(C)O1; CC1(OC(c3c(C1)c(c(
    NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C    		 N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
    27379 LJR
    ZINC000042520684    		 2 C8 H17 N O2 S InChI=1S/C8H17NO2S/c1-9-1
    2(10,11)7-8-5-3-2-4-6-8/h
    8-9H,2-7H2,1H3;
    PFWYRMPHHJKJBB-UHFFFAOYSA-N    		 CN[S](=O)(=O)CC1CCCCC1; CNS(=O)(=O)CC1CC
    CCC1; O=S(=O)(CC1CCCCC1)NC    		 1-cyclohexyl-N-methylmethanesulfonamide
    27380 LJS 4 C13 H18 N2 O10 P2 InChI=1S/C13H18N2O10P2/c1
    -8-12(16)10(9(5-14-8)7-25
    -27(22,23)24)6-15-11(13(1
    7)18)3-2-4-26(19,20)21/h2
    -3,5-6,14,16H,4,7H2,1H3,(
    H,17,18)(H2,19,20,21)(H2,
    22,23,24)/b3-2-,10-6-,15-
    11+;
    XGSUDZJIHIXLDE-NTUDHWJFSA-N    		 N1C(C)=C(O)C(C(=C1)COP(O)(=O)O)=[C@H]\N=
    C(\C(O)=O)[C@H]=[C@H]CP(O)(=O)O; CC1=C(O
    )C(=CN=C(C=CC[P](O)(O)=O)C(O)=O)C(=CN1)C
    O[P](O)(O)=O; CC1=C(O)\C(=C/N=C(\C=C/C[P
    ](O)(O)=O)C(O)=O)C(=CN1)CO[P](O)(O)=O; C
    C1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/
    C(=CN1)COP(=O)(O)O)O; CC1=C(C(=CN=C(C=CC
    P(=O)(O)O)C(=O)O)C(=CN1)COP(=O)(O)O)O    		 (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
    27381 LJT 2 C23 H30 Cl N3 O3 S InChI=1S/C23H30ClN3O3S/c1
    -29-20-15-19-23(16-21(20)
    30-2)31-22-5-4-17(24)14-1
    8(22)27(19)7-3-6-25-8-10-
    26(11-9-25)12-13-28/h4-5,
    14-16,28H,3,6-13H2,1-2H3;
    GKWVWOUUPIERSK-UHFFFAOYSA-N    		 COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)
    CCO)Cl; COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(C
    CO)CC4)c2cc1OC    		 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
    27382 LJU
    CHEMBL407339    		 2 C17 H20 O6 InChI=1S/C17H20O6/c1-22-1
    5-7-10(3-5-13(15)19)12(9-
    18)17(21)11-4-6-14(20)16(
    8-11)23-2/h3-8,12,17-21H,
    9H2,1-2H3/t12-,17+/m0/s1;
    DFUOJBWSSSODTR-YVEFUNNKSA-N    		 COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC
    )c2; COc1cc(ccc1O)[C@H](CO)[C@@H](c2ccc(
    c(c2)OC)O)O; COc1cc(ccc1O)[C@@H](O)[C@@H
    ](CO)c2ccc(O)c(OC)c2; COc1cc(ccc1O)C(CO)
    C(c2ccc(c(c2)OC)O)O    		 (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
    27383 LJV
    CHEMBL4472519    		 2 C17 H13 Cl N4 O InChI=1S/C17H13ClN4O/c1-1
    0-11(8-19)2-5-16(21-10)20
    -9-13-6-12-7-14(18)3-4-15
    (12)22-17(13)23/h2-7H,9H2
    ,1H3,(H,20,21)(H,22,23);
    BPIFALCAPCGTGS-UHFFFAOYSA-N    		 Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#
    N; Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C
    #N; Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#
    N    		 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
    27384 LJW 1 C13 H17 N3 O S InChI=1S/C13H17N3OS/c1-7(
    2)17-10-5-4-9(16-3)8-6-11
    (13(14)15)18-12(8)10/h4-7
    ,16H,1-3H3,(H3,14,15);
    JUDKCNJFPGEXCT-UHFFFAOYSA-N    		 CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)NC; CNc1ccc
    (OC(C)C)c2sc(cc12)C(N)=N; [H]/N=C(\c1cc2
    c(ccc(c2s1)OC(C)C)NC)/N    		 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
    27385 LJX
    CHEMBL5203469    		 2 C19 H21 N5 O3 S InChI=1S/C19H21N5O3S/c1-2
    -3-4-5-8-13-21-16(20)14-1
    8(22-13)24(19-15(26)11(25
    )10-27-19)17(23-14)12-7-6
    -9-28-12/h6-7,9,11,15,19,
    25-26H,2-4,10H2,1H3,(H2,2
    0,21,22)/t11-,15-,19-/m1/
    s1;
    MUHXGASCCALSAJ-PRIMNGNOSA-N    		 CCCCC#Cc1nc(N)c2nc(n([CH]3OC[CH](O)[CH]3
    O)c2n1)c4sccc4; CCCCC#Cc1nc(c2c(n1)n(c(n
    2)c3cccs3)C4C(C(CO4)O)O)N; CCCCC#Cc1nc(c
    2c(n1)n(c(n2)c3cccs3)[C@H]4[C@@H]([C@@H]
    (CO4)O)O)N; CCCCC#Cc1nc(N)c2nc(n([C@@H]3
    OC[C@@H](O)[C@H]3O)c2n1)c4sccc4; OC1C(O)
    COC1n1c2nc(C#CCCCC)nc(N)c2nc1c1cccs1    		 (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol
    27386 LJY
    CHEMBL4440107    		 3 C18 H14 Cl N3 O2 InChI=1S/C18H14ClN3O2/c1-
    24-17-8-15(4-2-11(17)9-20
    )21-10-13-6-12-7-14(19)3-
    5-16(12)22-18(13)23/h2-8,
    21H,10H2,1H3,(H,22,23);
    DHTDEOJRSYUVPD-UHFFFAOYSA-N    		 COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl;
    COc1cc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N;
    COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)
    C#N    		 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
    27387 LJZ 2 C28 H24 Cl2 N6 O4 InChI=1S/C28H24Cl2N6O4/c2
    9-21-5-1-3-7-23(21)33-25(
    37)13-15-27(39)35-31-17-1
    9-9-11-20(12-10-19)18-32-
    36-28(40)16-14-26(38)34-2
    4-8-4-2-6-22(24)30/h1-12,
    17-18H,13-16H2,(H,33,37)(
    H,34,38)/b19-17-,20-18-,3
    5-31+,36-32+;
    HTJQQXMFDMUXSX-MDQGHDFKSA-N    		 c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC
    (=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2;
    c1ccc(c(c1)NC(=O)CCC(=O)N=NC=C2C=CC(=CN=
    NC(=O)CCC(=O)Nc3ccccc3Cl)C=C2)Cl; Clc1cc
    ccc1NC(=O)CCC(=O)/N=N/C=C3\C=C/C(=C\N=N\
    C(=O)CCC(=O)Nc2ccccc2Cl)C=C3; Clc1ccccc1
    NC(=O)CCC(=O)N=NC=C2C=CC(C=C2)=CN=NC(=O)
    CCC(=O)Nc3ccccc3Cl    		 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
    27388 LK0
    CHEMBL1835485
    ZINC000072126894    		 12 C39 H53 N5 O7 InChI=1S/C39H53N5O7/c1-38
    (2,3)32(43-36(48)50-7)34(
    46)41-29(21-25-13-10-9-11
    -14-25)23-31(45)30(42-35(
    47)33(39(4,5)6)44-37(49)5
    1-8)22-26-16-18-27(19-17-
    26)28-15-12-20-40-24-28/h
    9-20,24,29-33,45H,21-23H2
    ,1-8H3,(H,41,46)(H,42,47)
    (H,43,48)(H,44,49)/t29-,3
    0-,31-,32+,33+/m0/s1;
    FOEFFFBPEIGFEX-IJLINHMISA-N    		 COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1
    ccc(cc1)c2cccnc2)NC(=O)[CH](NC(=O)OC)C(C
    )(C)C)Cc3ccccc3)C(C)(C)C; O=C(OC)NC(C(=O
    )NC(Cc1ccccc1)CC(O)C(NC(=O)C(NC(=O)OC)C(
    C)(C)C)Cc3ccc(c2cccnc2)cc3)C(C)(C)C; CC(
    C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@
    H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H]
    (C(C)(C)C)NC(=O)OC)O)NC(=O)OC; CC(C)(C)C
    (C(=O)NC(Cc1ccccc1)CC(C(Cc2ccc(cc2)c3ccc
    nc3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
    ; COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@
    H](Cc1ccc(cc1)c2cccnc2)NC(=O)[C@@H](NC(=
    O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C
    27389 LK1
    CHEMBL458624
    DB08105
    ZINC000016052243    		 1 C19 H23 N O7 S InChI=1S/C19H23NO7S/c1-2-
    3-10-27-15-6-4-14-12-16(7
    -5-13(14)11-15)28(25,26)2
    0-17(19(23)24)8-9-18(21)2
    2/h4-7,11-12,17,20H,2-3,8
    -10H2,1H3,(H,21,22)(H,23,
    24)/t17-/m0/s1;
    UAGYXJBYAFGRFR-KRWDZBQOSA-N    		 CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@@H](
    CCC(O)=O)C(O)=O; CCCCOc1ccc2cc(ccc2c1)S(
    =O)(=O)N[C@@H](CCC(=O)O)C(=O)O; CCCCOc1c
    cc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C
    (O)=O; O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc(
    OCCCC)c2)CCC(=O)O; CCCCOc1ccc2cc(ccc2c1)
    S(=O)(=O)NC(CCC(=O)O)C(=O)O    		 N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID
    27390 LK2
    CHEMBL528988
    DB08106
    ZINC000016052242    		 1 C19 H23 N O7 S InChI=1S/C19H23NO7S/c1-2-
    3-10-27-15-6-4-14-12-16(7
    -5-13(14)11-15)28(25,26)2
    0-17(19(23)24)8-9-18(21)2
    2/h4-7,11-12,17,20H,2-3,8
    -10H2,1H3,(H,21,22)(H,23,
    24)/t17-/m1/s1;
    UAGYXJBYAFGRFR-QGZVFWFLSA-N    		 CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CC
    C(O)=O)C(O)=O; CCCCOc1ccc2cc(ccc2c1)S(=O
    )(=O)N[C@H](CCC(=O)O)C(=O)O; O=C(O)C(NS(
    =O)(=O)c1ccc2c(c1)ccc(OCCCC)c2)CCC(=O)O;
    CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O
    )O)C(=O)O; CCCCOc1ccc2cc(ccc2c1)[S](=O)(
    =O)N[C@H](CCC(O)=O)C(O)=O    		 N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID
    27391 LK3
    CHEMBL517944
    DB08107
    ZINC000016052547    		 1 C20 H25 N O7 S InChI=1S/C20H25NO7S/c1-2-
    3-4-11-28-16-7-5-15-13-17
    (8-6-14(15)12-16)29(26,27
    )21-18(20(24)25)9-10-19(2
    2)23/h5-8,12-13,18,21H,2-
    4,9-11H2,1H3,(H,22,23)(H,
    24,25)/t18-/m1/s1;
    LIGACKDHLKEZFH-GOSISDBHSA-N    		 CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@H](
    CCC(O)=O)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc
    2c(c1)ccc(OCCCCC)c2)CCC(=O)O; CCCCCOc1cc
    c2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=
    O)O; CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[
    CH](CCC(O)=O)C(O)=O; CCCCCOc1ccc2cc(ccc2
    c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O    		 N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID
    27392 LK4
    CHEMBL458966
    DB08108
    ZINC000016052548    		 1 C23 H20 N2 O7 S InChI=1S/C23H20N2O7S/c24-
    13-15-1-3-16(4-2-15)14-32
    -19-7-5-18-12-20(8-6-17(1
    8)11-19)33(30,31)25-21(23
    (28)29)9-10-22(26)27/h1-8
    ,11-12,21,25H,9-10,14H2,(
    H,26,27)(H,28,29)/t21-/m1
    /s1;
    PUHRQSFXADUGJW-OAQYLSRUSA-N    		 c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@
    H](CCC(=O)O)C(=O)O)C#N; OC(=O)CC[C@@H](N
    [S](=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2
    c1)C(O)=O; c1cc(ccc1COc2ccc3cc(ccc3c2)S(
    =O)(=O)NC(CCC(=O)O)C(=O)O)C#N; OC(=O)CC[
    CH](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N
    )ccc2c1)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc3
    c(c1)ccc(OCc2ccc(C#N)cc2)c3)CCC(=O)O    		 N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
    27393 LK5
    DB08109
    ZINC000100036343    		 1 C17 H27 N O4 InChI=1S/C17H27NO4/c1-3-5
    -9-22-13-8-6-7-12-14(13)1
    6(17(20)21)18-15(12)11(4-
    2)10-19/h10-13,15,18H,3-9
    H2,1-2H3,(H,20,21)/t11-,1
    2+,13+,15+/m0/s1;
    WRBRCIHZCYLBFW-KYEXWDHISA-N    		 CCCCOC1CCCC2C1=C(NC2C(CC)C=O)C(=O)O; O=C
    C(C2NC(=C1C(OCCCC)CCCC12)C(=O)O)CC; CCCC
    O[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC
    )C=O)C(=O)O; CCCCO[CH]1CCC[CH]2[CH](NC(=
    C12)C(O)=O)[CH](CC)C=O; CCCCO[C@@H]1CCC[
    C@H]2[C@H](NC(=C12)C(O)=O)[C@@H](CC)C=O    		 (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID
    27394 LK6
    ZINC000042370299    		 1 C9 H15 N O3 S InChI=1S/C9H15NO3S/c1-9(4
    -5-14(12,13)6-9)10-8(11)7
    -2-3-7/h7H,2-6H2,1H3,(H,1
    0,11)/t9-/m1/s1;
    LMUYJJAKMZKBHS-SECBINFHSA-N    		 C[C@]1(CC[S](=O)(=O)C1)NC(=O)C2CC2; O=S1
    (=O)CCC(C)(NC(=O)C2CC2)C1; C[C@]1(CCS(=O
    )(=O)C1)NC(=O)C2CC2; CC1(CCS(=O)(=O)C1)N
    C(=O)C2CC2; C[C]1(CC[S](=O)(=O)C1)NC(=O)
    C2CC2    		 N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
    27395 LK7
    DB08110
    ZINC000100036348    		 1 C14 H19 N O4 InChI=1S/C14H19NO4/c1-3-8
    (7-16)12-9-5-4-6-10(19-2)
    11(9)13(15-12)14(17)18/h3
    ,7,9-10,12,15H,4-6H2,1-2H
    3,(H,17,18)/b8-3-/t9-,10-
    ,12-/m0/s1;
    ZYKSDPVHVMSKIL-IIHMJNQGSA-N    		 CO[CH]1CCC[CH]2[CH](NC(=C12)C(O)=O)C(=CC
    )C=O; CO[C@H]1CCC[C@@H]2[C@@H](NC(=C12)C
    (O)=O)C(=C/C)\C=O; O=C/C(=C/C)C1NC(=C2C1
    CCCC2OC)C(=O)O; CC=C(C=O)[C@H]1[C@H]2CCC
    [C@@H](C2=C(N1)C(=O)O)OC; CC=C(C=O)C1C2C
    CCC(C2=C(N1)C(=O)O)OC    		 (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID
    27396 LK8 2 C25 H22 Cl2 F3 N3 O3 InChI=1S/C25H22Cl2F3N3O3/
    c1-13-11-17(25(28,29)30)1
    4-5-3-7-20(22(14)32-13)36
    -12-16-18(26)9-8-15(21(16
    )27)24(35)33-10-4-6-19(33
    )23(34)31-2/h3,5,7-9,11,1
    9H,4,6,10,12H2,1-2H3,(H,3
    1,34)/t19-/m0/s1;
    SGDYSAAUPQPUSM-IBGZPJMESA-N    		 Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4
    CCCC4C(=O)NC)Cl)C(F)(F)F; Cc1cc(c2cccc(c
    2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)
    NC)Cl)C(F)(F)F; CNC(=O)[C@@H]1CCCN1C(=O)
    c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F
    )c2Cl; CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c(
    COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl    		 (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide
    27397 LK9 2 C19 H15 N3 O InChI=1S/C19H15N3O/c20-19
    -17(10-12-4-2-1-3-5-12)21
    -18-15-8-7-14(23)11-13(15
    )6-9-16(18)22-19/h1-9,11,
    23H,10H2,(H2,20,22);
    FZAJVBZJLFLZOR-UHFFFAOYSA-N    		 c1ccc(cc1)Cc2c(nc3ccc4cc(ccc4c3n2)O)N; N
    c1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4    		 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol
    27398 LKA
    DB03414    		 1 C6 H13 N O4 S InChI=1S/C6H13NO4S/c7-6-5
    (11)4(10)3(9)2(1-8)12-6/h
    2-6,8-11H,1,7H2/t2-,3-,4+
    ,5+,6+/m1/s1;
    FGVRMLQUWLZGLJ-PQMKYFCFSA-N    		 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)
    O)O)O)O; N[C@H]1S[C@H](CO)[C@@H](O)[C@H]
    (O)[C@@H]1O; C(C1C(C(C(C(S1)N)O)O)O)O; O
    C1C(O)C(SC(N)C1O)CO; N[CH]1S[CH](CO)[CH]
    (O)[CH](O)[CH]1O    		 5-thio-alpha-D-mannopyranosylamine;
    5-THIO-A/B-D-MANNOPYRANOSYLAMINE;
    5-thio-alpha-D-mannosylamine;
    5-thio-D-mannosylamine;
    5-thio-mannosylamine
    27399 LKB
    CHEMBL516312
    ZINC000040847911    		 2 C20 H13 N5 O InChI=1S/C20H13N5O/c21-9-
    13-3-5-14(6-4-13)16-8-17-
    18(12-24-19(17)23-11-16)2
    5-20(26)15-2-1-7-22-10-15
    /h1-8,10-12H,(H,23,24)(H,
    25,26);
    JTSLALYXYSRPGW-UHFFFAOYSA-N    		 O=C(Nc1c[nH]c2ncc(cc12)c3ccc(cc3)C#N)c4c
    ccnc4; c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3
    )c4ccc(cc4)C#N    		 ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
    27400 LKC
    ZINC000006504946    		 0 C11 H15 N3 O5 InChI=1S/C11H15N3O5/c1-5-
    2-14(10(17)13-8(5)12)9-6-
    7(16)11(3-15,19-9)4-18-6/
    h2,6-7,9,15-16H,3-4H2,1H3
    ,(H2,12,13,17)/t6-,7+,9-,
    11+/m1/s1;
    NELYIRACPIJATH-SZVQBCOZSA-N    		 CC1=CN([CH]2O[C]3(CO)CO[CH]2[CH]3O)C(=O)
    N=C1N; CC1=CN([C@@H]2O[C@@]3(CO)CO[C@@H]
    2[C@@H]3O)C(=O)N=C1N; CC1=CN(C(=O)N=C1N)
    C2C3C(C(O2)(CO3)CO)O; O=C1N=C(N)C(=CN1C3
    OC2(C(O)C3OC2)CO)C; CC1=CN(C(=O)N=C1N)[C
    @H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O    		 4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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