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  • Click # to view 2D diagram of the ligand.
  • 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
    28201 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
    28202 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
    28203 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
    28204 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
    28205 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
    28206 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
    28207 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
    28208 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
    28209 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
    28210 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
    28211 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
    28212 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
    28213 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
    28214 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
    28215 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
    28216 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
    28217 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
    28218 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
    28219 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
    28220 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
    28221 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
    28222 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
    28223 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
    28224 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
    28225 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
    28226 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
    28227 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
    28228 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
    28229 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
    28230 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
    28231 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]
    28232 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)
    28233 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
    28234 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
    28235 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
    28236 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
    28237 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
    28238 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
    28239 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
    28240 LJR
    ZINC000042520684    		 4 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
    28241 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
    28242 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
    28243 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
    28244 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
    28245 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
    28246 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
    28247 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
    28248 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]
    28249 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
    28250 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
    28251 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
    28252 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
    28253 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
    28254 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
    28255 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
    28256 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
    28257 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
    28258 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
    28259 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
    28260 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
    28261 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
    28262 LKD 1 C29 H28 Cl F2 N3 O2 S InChI=1S/C29H28ClF2N3O2S/
    c1-33-20-4-6-21(7-5-20)35
    (29(36)28-26(30)25-22(31)
    8-9-23(32)27(25)38-28)16-
    19-15-18(3-10-24(19)37-2)
    17-11-13-34-14-12-17/h3,8
    -15,20-21,33H,4-7,16H2,1-
    2H3/t20-,21-;
    YVIFQUJDZSAFKG-MEMLXQNLSA-N    		 CN[CH]1CC[CH](CC1)N(Cc2cc(ccc2OC)c3ccncc
    3)C(=O)c4sc5c(F)ccc(F)c5c4Cl; CNC1CCC(CC
    1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(c
    cc(c5s4)F)F)Cl; C5(NC)CCC(N(C(=O)c2c(Cl)
    c1c(c(ccc1F)F)s2)Cc3c(ccc(c3)c4ccncc4)OC
    )CC5; CN[C@H]1CC[C@@H](CC1)N(Cc2cc(ccc2O
    C)c3ccncc3)C(=O)c4sc5c(F)ccc(F)c5c4Cl    		 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
    28263 LKE 0 C13 H12 N6 O3 InChI=1S/C13H12N6O3/c14-6
    -11-16-10(13(22)19(11)7-1
    2(20)21)5-8-1-3-9(4-2-8)1
    7-18-15/h1-5H,6-7,14H2,(H
    ,20,21)/b10-5-;
    LLZZHPRLBAOKOQ-YHYXMXQVSA-N    		 c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)
    N=[N+]=[N-]; c1cc(ccc1C=C2C(=O)N(C(=N2)C
    N)CC(=O)O)N=[N+]=[N-]; NCC1=NC(=Cc2ccc(c
    c2)N=[N+]=[N-])C(=O)N1CC(O)=O; NCC1=N\C(
    =C/c2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O    		 2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
    28264 LKF
    CHEMBL3262043
    ZINC000098209116    		 2 C18 H24 N6 O2 InChI=1S/C18H24N6O2/c1-13
    (25-3)11-23-12-15(10-20-2
    3)16-14(2)21-18-17(19-4-5
    -24(16)18)22-6-8-26-9-7-2
    2/h4-5,10,12-13H,6-9,11H2
    ,1-3H3/t13-/m0/s1;
    DPAWKOUFAHFNNS-ZDUSSCGKSA-N    		 Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)CC(C)
    OC; Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C
    [C@H](C)OC; CO[CH](C)Cn1cc(cn1)c2n3ccnc(
    N4CCOCC4)c3nc2C; CO[C@@H](C)Cn1cc(cn1)c2
    n3ccnc(N4CCOCC4)c3nc2C; n2ccn4c(c1cn(nc1
    )CC(OC)C)c(nc4c2N3CCOCC3)C    		 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine
    28265 LKG
    CHEMBL495898
    DB08111
    ZINC000016052803    		 1 C18 H14 N4 O InChI=1S/C18H14N4O/c23-15
    -8-6-13(7-9-15)12-18-20-1
    9-17-11-10-16(21-22(17)18
    )14-4-2-1-3-5-14/h1-11,23
    H,12H2;
    ZGJYGQLGSXWEMY-UHFFFAOYSA-N    		 Oc1ccc(Cc2nnc3ccc(nn23)c4ccccc4)cc1; c1c
    cc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O; n1c(
    ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4    		 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
    28266 LKH
    ZINC000001478068    		 2 C16 H11 Cl N4 O2 S InChI=1S/C16H11ClN4O2S/c1
    7-13-7-5-11(6-8-13)14-19-
    20-16(24)21(14)18-9-10-1-
    3-12(4-2-10)15(22)23/h1-9
    H,(H,20,24)(H,22,23)/b18-
    9+;
    CQVXUWVBXDJAGD-GIJQJNRQSA-N    		 c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C
    (=O)O; c1cc(ccc1C=NN2C(=NNC2=S)c3ccc(cc3
    )Cl)C(=O)O; OC(=O)c1ccc(cc1)\C=N\N2C(=S)
    NN=C2c3ccc(Cl)cc3; OC(=O)c1ccc(cc1)C=NN2
    C(=S)NN=C2c3ccc(Cl)cc3    		 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
    28267 LKI 1 C12 H11 Cl N2 O2 S InChI=1S/C12H11ClN2O2S/c1
    -9-5-6-14-8-12(9)15-18(16
    ,17)11-4-2-3-10(13)7-11/h
    2-8,15H,1H3;
    XFTYNEPZRSHDOA-UHFFFAOYSA-N    		 Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl; O=S(=O)
    (Nc1cnccc1C)c1cccc(Cl)c1; Cc1ccncc1N[S](
    =O)(=O)c2cccc(Cl)c2    		 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
    28268 LKJ
    ZINC000150344446    		 3 C53 H60 N8 O6 InChI=1S/C53H60N8O6/c62-4
    9(54-33-36-14-11-19-39(28
    -36)37-15-3-1-4-16-37)44-
    29-40(31-46(55-44)51(64)6
    0-26-12-20-42(60)34-58-22
    -7-8-23-58)41-30-45(50(63
    )57-48(53(66)67)38-17-5-2
    -6-18-38)56-47(32-41)52(6
    5)61-27-13-21-43(61)35-59
    -24-9-10-25-59/h1,3-4,9-1
    1,14-16,19,24-25,28-32,38
    ,42-43,48H,2,5-8,12-13,17
    -18,20-23,26-27,33-35H2,(
    H,54,62)(H,57,63)(H,66,67
    )/t42-,43-,48-/m1/s1;
    OURBCKKEKMWLAJ-JYIFATIISA-N    		 O=C(O)C(NC(=O)c3nc(C(=O)N2C(Cn1cccc1)CCC
    2)cc(c3)c6cc(nc(C(=O)NCc5cccc(c4ccccc4)c
    5)c6)C(=O)N7CCCC7CN8CCCC8)C9CCCCC9; c1cc
    c(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N
    4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CC
    C[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(
    =O)O; OC(=O)[CH](NC(=O)c1cc(cc(n1)C(=O)N
    2CCC[CH]2Cn3cccc3)c4cc(nc(c4)C(=O)N5CCC[
    CH]5CN6CCCC6)C(=O)NCc7cccc(c7)c8ccccc8)C
    9CCCCC9; OC(=O)[C@H](NC(=O)c1cc(cc(n1)C(
    =O)N2CCC[C@@H]2Cn3cccc3)c4cc(nc(c4)C(=O)
    N5CCC[C@@H]5CN6CCCC6)C(=O)NCc7cccc(c7)c8
    ccccc8)C9CCCCC9; c1ccc(cc1)c2cccc(c2)CNC
    (=O)c3cc(cc(n3)C(=O)N4CCCC4CN5CCCC5)c6cc
    (nc(c6)C(=O)N7CCCC7Cn8cccc8)C(=O)NC(C9CC
    CCC9)C(=O)O    		 (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
    28269 LKK 1 C16 H21 Br N4 O4 S InChI=1S/C16H21BrN4O4S/c1
    -3-16(4-2,26(23,24)25)15(
    22)18-9-14-11-21(20-19-14
    )10-12-5-7-13(17)8-6-12/h
    5-8,11H,3-4,9-10H2,1-2H3,
    (H,18,22)(H,23,24,25);
    XOALJRIEKUWYNB-UHFFFAOYSA-N    		 CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S
    ](O)(=O)=O; CCC(CC)(C(=O)NCc1cn(nn1)Cc2c
    cc(cc2)Br)S(=O)(=O)O    		 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
    28270 LKL
    CHEMBL4965335
    ZINC000086711404    		 1 C8 H10 Cl F N2 O InChI=1S/C8H10ClFN2O/c1-1
    2(2-3-13)8-7(10)4-6(9)5-1
    1-8/h4-5,13H,2-3H2,1H3;
    WBIQOAOWXPGYEU-UHFFFAOYSA-N    		 Fc1cc(Cl)cnc1N(C)CCO; CN(CCO)c1c(cc(cn1)
    Cl)F; CN(CCO)c1ncc(Cl)cc1F    		 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
    28271 LKM
    CHEMBL457526
    DB08112
    ZINC000040848762    		 1 C23 H19 F N2 O7 S InChI=1S/C23H19FN2O7S/c24
    -20-9-14(12-25)1-2-17(20)
    13-33-18-5-3-16-11-19(6-4
    -15(16)10-18)34(31,32)26-
    21(23(29)30)7-8-22(27)28/
    h1-6,9-11,21,26H,7-8,13H2
    ,(H,27,28)(H,29,30)/t21-/
    m1/s1;
    IRJUSGUHNFMVCK-OAQYLSRUSA-N    		 c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(
    =O)N[C@H](CCC(=O)O)C(=O)O; OC(=O)CC[C@@H
    ](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)
    ccc2c1)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc3c
    (c1)ccc(OCc2ccc(C#N)cc2F)c3)CCC(=O)O; c1
    cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O
    )NC(CCC(=O)O)C(=O)O; OC(=O)CC[CH](N[S](=
    O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C
    (O)=O    		 N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
    28272 LKO 0 C27 H25 N2 O4 InChI=1S/C27H25N2O4/c1-30
    -23-6-5-19-20(4-3-17-7-10
    -28-11-8-17)26-21-14-25-2
    4(32-16-33-25)13-18(21)9-
    12-29(26)15-22(19)27(23)3
    1-2/h5-8,10-11,13-15H,3-4
    ,9,12,16H2,1-2H3/q+1;
    RNEIDRUOMNDERD-UHFFFAOYSA-N    		 COc1ccc2c(c1OC)c[n+]3c(c2CCc4ccncc4)-c5c
    c6c(cc5CC3)OCO6; COc1ccc2c(CCc3ccncc3)c4
    c5cc6OCOc6cc5CC[n+]4cc2c1OC    		 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
    28273 LKP
    CHEMBL3989951
    DB15439    		 2 C18 H21 F N2 O2 InChI=1S/C18H21FN2O2/c19-
    14-3-1-2-13-16-9-20-10-21
    (16)15(18(13)14)8-17(23)1
    1-4-6-12(22)7-5-11/h1-3,9
    -12,15,17,22-23H,4-8H2/t1
    1-,12-,15-,17+/m0/s1;
    YGACXVRLDHEXKY-WXRXAMBDSA-N    		 c1cc-2c(c(c1)F)C(n3c2cnc3)CC(C4CCC(CC4)O
    )O; c23C(CC(O)C1CCC(CC1)O)n4c(c2cccc3F)c
    nc4; c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@
    H](C4CCC(CC4)O)O; O[CH]1CC[CH](CC1)[CH](
    O)C[CH]2n3cncc3c4cccc(F)c24; O[C@H]1CC[C
    @@H](CC1)[C@H](O)C[C@@H]2n3cncc3c4cccc(F
    )c24    		 trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol;
    Navoximod
    28274 LKQ
    CHEMBL4441479    		 2 C25 H24 N8 O2 InChI=1S/C25H24N8O2/c1-14
    -11-28-25(30-20-13-33(3)3
    2-24(20)35-4)31-21(14)18-
    12-27-22-17(18)7-5-9-19(2
    2)29-23(34)16-8-6-10-26-1
    5(16)2/h5-13,27H,1-4H3,(H
    ,29,34)(H,28,30,31);
    VVOKUJIAOSWPTI-UHFFFAOYSA-N    		 Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4
    C)Nc5cn(nc5OC)C; COc1nn(C)cc1Nc2ncc(C)c(
    n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34    		 ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
    28275 LKR
    CHEMBL170405
    ZINC000004098600    		 2 C15 H10 O7 InChI=1S/C15H10O7/c16-7-1
    -2-8-11(5-7)22-15(14(21)1
    2(8)19)6-3-9(17)13(20)10(
    18)4-6/h1-5,16-18,20-21H;
    SOEDEYVDCDYMMH-UHFFFAOYSA-N    		 Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3
    )O; c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3
    )O)O)O    		 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one;
    Robinetin
    28276 LKS
    ZINC000006578984    		 1 C14 H20 N2 O4 S InChI=1S/C14H20N2O4S/c15-
    10(6-8-4-2-1-3-5-8)16-14-
    13(20)12(19)11(18)9(7-17)
    21-14/h1-5,9,11-14,17-20H
    ,6-7H2,(H2,15,16)/t9-,11-
    ,12+,13+,14+/m1/s1;
    WKJQYOUTPMBFSL-CYDRSHDDSA-N    		 OC[C@H]1S[C@H](NC(=N)Cc2ccccc2)[C@@H](O)
    [C@@H](O)[C@@H]1O; [N@H]=C(NC1SC(C(O)C(O
    )C1O)CO)Cc2ccccc2; OC[CH]1S[CH](NC(=N)Cc
    2ccccc2)[CH](O)[CH](O)[CH]1O; [H]/N=C(/C
    c1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@
    H](S2)CO)O)O)O; [H]N=C(Cc1ccccc1)NC2C(C(
    C(C(S2)CO)O)O)O    		 N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine;
    N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE;
    2-C-PHENYL-N-(5-THIO-A/B-D-MANNOPYRANOSYL)ACETAMIDINIUM;
    N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannosylamine;
    N-[(1Z)-2-phenylethanimidoyl]-5-thio-D-mannosylamine;
    N-[(1Z)-2-phenylethanimidoyl]-5-thio-mannosylamine
    28277 LKT 2 C23 H19 Cl N8 InChI=1S/C23H19ClN8/c24-1
    9-2-1-3-21(18(19)10-26)31
    -9-6-15(12-31)20(4-7-25)3
    2-13-16(11-30-32)22-17-5-
    8-27-23(17)29-14-28-22/h1
    -3,5,8,11,13-15,20H,4,6,9
    ,12H2,(H,27,28,29)/t15-,2
    0-/m0/s1;
    BKUZTJNOISYCFG-YWZLYKJASA-N    		 c1cc(c(c(c1)Cl)C#N)N2CCC(C2)C(CC#N)n3cc(
    cn3)c4c5cc[nH]c5ncn4; Clc1cccc(N2CC[C@@H
    ](C2)[C@H](CC#N)n3cc(cn3)c4ncnc5[nH]ccc4
    5)c1C#N; Clc1cccc(N2CC[CH](C2)[CH](CC#N)
    n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N; c1cc(c(
    c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3c
    c(cn3)c4c5cc[nH]c5ncn4    		 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
    28278 LKU
    ZINC000000364992    		 2 C14 H12 F N O2 InChI=1S/C14H12FNO2/c1-9-
    5-6-12(8-13(9)17)16-14(18
    )10-3-2-4-11(15)7-10/h2-8
    ,17H,1H3,(H,16,18);
    HSWJYBWHEHPWSP-UHFFFAOYSA-N    		 Cc1ccc(cc1O)NC(=O)c2cccc(c2)F; Cc1ccc(NC
    (=O)c2cccc(F)c2)cc1O    		 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
    28279 LKV 5 C16 H20 N2 O4 InChI=1S/C16H20N2O4/c1-9(
    2)13(14(19)17-10(3)16(21)
    22)18-8-11-6-4-5-7-12(11)
    15(18)20/h4-7,9-10,13H,8H
    2,1-3H3,(H,17,19)(H,21,22
    )/t10-,13-/m0/s1;
    ZLJCDMXBPPBVSF-GWCFXTLKSA-N    		 CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N[C@@H](
    C)C(O)=O; CC(C)C(C(=O)NC(C)C(=O)O)N1Cc2c
    cccc2C1=O; C[C@@H](C(=O)O)NC(=O)[C@H](C(
    C)C)N1Cc2ccccc2C1=O; CC(C)[CH](N1Cc2cccc
    c2C1=O)C(=O)N[CH](C)C(O)=O    		 (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid
    28280 LKW
    ZINC000020492357    		 2 C22 H17 N3 O4 InChI=1S/C22H17N3O4/c1-2-
    12-3-5-14(6-4-12)19-18-16
    (22(28)29)11-17(23-20(18)
    25-24-19)13-7-9-15(10-8-1
    3)21(26)27/h3-11H,2H2,1H3
    ,(H,26,27)(H,28,29)(H,23,
    24,25);
    AJRMTRZJIPBKHX-UHFFFAOYSA-N    		 CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4
    ccc(cc4)C(O)=O; CCc1ccc(cc1)c2c3c(cc(nc3
    n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O    		 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid
    28281 LKX 1 C10 H9 Cl N4 O2 InChI=1S/C10H9ClN4O2/c11-
    8-3-1-2-7(4-8)5-9(16)14-1
    5-6-12-13-10(15)17/h1-4,6
    H,5H2,(H,13,17)(H,14,16);
    IADLNEMEFCQDCX-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)NN2C=NNC2=O; Clc1ccc
    c(CC(=O)NN2C=NNC2=O)c1; O=C1NN=CN1NC(=O)
    Cc1cccc(Cl)c1    		 2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
    28282 LKY
    CHEMBL5281816    		 3 C27 H31 F N4 O2 InChI=1S/C27H31FN4O2/c1-1
    8-16-31(10-11-32(18)27(34
    )21-7-3-4-8-21)17-23-13-2
    4(28)14-25(19(23)2)30-26(
    33)22-9-5-6-20(12-22)15-2
    9/h5-6,9,12-14,18,21H,3-4
    ,7-8,10-11,16-17H2,1-2H3,
    (H,30,33)/t18-/m0/s1;
    AQGBWBMWWNRWNU-SFHVURJKSA-N    		 C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc(NC(
    =O)c4cccc(c4)C#N)c3C; Cc1c(cc(cc1NC(=O)c
    2cccc(c2)C#N)F)CN3CCN(C(C3)C)C(=O)C4CCCC
    4; C[C@H]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc
    (NC(=O)c4cccc(c4)C#N)c3C; Cc1c(cc(cc1NC(
    =O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=
    O)C4CCCC4; c1(c(cc(cc1CN2CC(C)N(CC2)C(C3
    CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C    		 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
    28283 LKZ 5 C12 H14 O6 InChI=1S/C12H14O6/c1-8(14
    )4-10(16)6-12(18)7-11(17)
    5-9(15)2-3-13/h3H,2,4-7H2
    ,1H3;
    PTGARLKYUIIZKU-UHFFFAOYSA-N    		 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O 3,5,7,9,11-pentakis(oxidanylidene)dodecanal
    28284 LL0
    ZINC000036948432    		 7 C7 H7 F2 N O3 S InChI=1S/C7H7F2NO3S/c8-7(
    9)13-5-3-1-2-4-6(5)14(10,
    11)12/h1-4,7H,(H2,10,11,1
    2);
    XDODAVQVIOWLPT-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccccc1OC(F)F; O=S(N)(=O)c1
    ccccc1OC(F)F; c1ccc(c(c1)OC(F)F)S(=O)(=O
    )N    		 2-(difluoromethoxy)benzene-1-sulfonamide
    28285 LL1
    CHEMBL1234032
    DB08113
    ZINC000039132370    		 1 C12 H9 N3 InChI=1S/C12H9N3/c1-2-4-1
    1-10(3-1)12(15-14-11)9-5-
    7-13-8-6-9/h1-8H,(H,14,15
    );
    MSRXUUDVRNWSTN-UHFFFAOYSA-N    		 n2c(c1ccccc1n2)c3ccncc3; [nH]1nc(c2ccncc
    2)c3ccccc13; c1ccc2c(c1)c(n[nH]2)c3ccncc
    3    		 3-pyridin-4-yl-1H-indazole
    28286 LL2
    CHEMBL1234033
    DB08114
    ZINC000000063264    		 1 C10 H10 N2 S InChI=1S/C10H10N2S/c11-10
    -12-7-9(13-10)6-8-4-2-1-3
    -5-8/h1-5,7H,6H2,(H2,11,1
    2);
    FJIMLXBJUVLMMN-UHFFFAOYSA-N    		 n1cc(sc1N)Cc2ccccc2; Nc1sc(Cc2ccccc2)cn1
    ; c1ccc(cc1)Cc2cnc(s2)N    		 5-benzyl-1,3-thiazol-2-amine;
    5-Benzyl-thiazol-2-ylmaine
    28287 LL3
    CHEMBL1773785    		 1 C19 H19 N3 O2 S InChI=1S/C19H19N3O2S/c23-
    17(13-14-5-2-1-3-6-14)22-
    10-8-15(9-11-22)19-20-18(
    21-24-19)16-7-4-12-25-16/
    h1-7,12,15H,8-11,13H2;
    FNAMKJFTCMWMKP-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4ccc
    s4; O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4s
    ccc4; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4
    ccccc4    		 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
    28288 LL4
    CHEMBL1773953
    ZINC000071329339    		 2 C17 H23 N3 O2 S InChI=1S/C17H23N3O2S/c1-1
    2(2)5-6-15(21)20-9-7-13(8
    -10-20)17-18-16(19-22-17)
    14-4-3-11-23-14/h3-4,11-1
    3H,5-10H2,1-2H3;
    QWPAQBJBWLSPSH-UHFFFAOYSA-N    		 CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3;
    O=C(N3CCC(c1onc(n1)c2sccc2)CC3)CCC(C)C;
    CC(C)CCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3    		 4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
    28289 LL5
    CHEMBL1773955
    ZINC000071297061    		 1 C16 H22 N4 O2 S InChI=1S/C16H22N4O2S/c1-1
    0(2)13(17)16(21)20-7-5-11
    (6-8-20)15-18-14(19-22-15
    )12-4-3-9-23-12/h3-4,9-11
    ,13H,5-8,17H2,1-2H3/t13-/
    m0/s1;
    XUGKZTMKTMWUPY-ZDUSSCGKSA-N    		 CC(C)[C@H](N)C(=O)N1CC[C@H](CC1)c2onc(n2
    )c3sccc3; CC(C)[C@@H](C(=O)N1CCC(CC1)c2n
    c(no2)c3cccs3)N; CC(C)[CH](N)C(=O)N1CC[C
    H](CC1)c2onc(n2)c3sccc3; CC(C)C(C(=O)N1C
    CC(CC1)c2nc(no2)c3cccs3)N; O=C(N3CCC(c1o
    nc(n1)c2sccc2)CC3)C(N)C(C)C    		 (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
    28290 LL6 2 C20 H20 N2 O4 InChI=1S/C20H20N2O4/c1-13
    (20(25)26)21-18(23)17(11-
    14-7-3-2-4-8-14)22-12-15-
    9-5-6-10-16(15)19(22)24/h
    2-10,13,17H,11-12H2,1H3,(
    H,21,23)(H,25,26)/t13-,17
    -/m0/s1;
    UFEBTJRSHCOXAH-GUYCJALGSA-N    		 CC(C(=O)O)NC(=O)C(Cc1ccccc1)N2Cc3ccccc3C
    2=O; C[C@H](NC(=O)[C@H](Cc1ccccc1)N2Cc3c
    cccc3C2=O)C(O)=O; C[C@@H](C(=O)O)NC(=O)[
    C@H](Cc1ccccc1)N2Cc3ccccc3C2=O; C[CH](NC
    (=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=
    O    		 (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid
    28291 LL7 2 C25 H33 N3 O7 S InChI=1S/C25H33N3O7S/c1-3
    3-21-15-19(16-22(34-2)24(
    21)35-3)27-23(29)12-13-26
    -25(30)20-11-7-8-14-28(20
    )36(31,32)17-18-9-5-4-6-1
    0-18/h4-6,9-10,15-16,20H,
    7-8,11-14,17H2,1-3H3,(H,2
    6,30)(H,27,29)/t20-/m0/s1;
    WNVXSKRDYHCOMK-FQEVSTJZSA-N    		 COc1cc(NC(=O)CCNC(=O)[CH]2CCCCN2[S](=O)(
    =O)Cc3ccccc3)cc(OC)c1OC; COc1cc(cc(c1OC)
    OC)NC(=O)CCNC(=O)C2CCCCN2S(=O)(=O)Cc3ccc
    cc3; COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@
    @H]2CCCCN2S(=O)(=O)Cc3ccccc3; COc1cc(NC(
    =O)CCNC(=O)[C@@H]2CCCCN2[S](=O)(=O)Cc3cc
    ccc3)cc(OC)c1OC    		 (2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide
    28292 LL8 0 C15 H14 O3 InChI=1S/C15H14O3/c1-10(1
    6)7-15(17)13-4-3-12-9-14(
    18-2)6-5-11(12)8-13/h3-6,
    8-9H,7H2,1-2H3;
    HGXDFGVHMYOSDC-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)C(=O)CC(C)=O; CC(=O)CC
    (=O)c1ccc2cc(ccc2c1)OC; O=C(C)CC(=O)c1cc
    c2c(c1)ccc(OC)c2    		 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
    28293 LL9
    ZINC000098209117    		 1 C10 H14 Cl N O4 S InChI=1S/C10H14ClNO4S/c1-
    16-10-3-2-8(6-9(10)11)7-1
    2-4-5-17(13,14)15/h2-3,6,
    12H,4-5,7H2,1H3,(H,13,14,
    15);
    BLSMHIDLTUGMQS-UHFFFAOYSA-N    		 Clc1cc(ccc1OC)CNCCS(=O)(=O)O; COc1ccc(cc
    1Cl)CNCCS(=O)(=O)O; COc1ccc(CNCC[S](O)(=
    O)=O)cc1Cl    		 2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid
    28294 LLA 0 C9 H10 O3 InChI=1/C9H10O3/c10-8(9(1
    1)12)6-7-4-2-1-3-5-7/h1-5
    ,8,10H,6H2,(H,11,12)/t8-/
    m0/s1/f/h11H;
    VOXXWSYKYCBWHO-KMJKUPBBDH    		 c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H]
    (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H](
    Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O    		 L-2-HYDROXY-3-PHENYL-PROPIONIC ACID
    28295 LLB
    ZINC000016052510    		 2 C29 H29 N O4 S InChI=1S/C29H29NO4S/c1-19
    -12-14-30(15-13-19)16-17-
    34-24-9-4-20(5-10-24)28(3
    3)27-25-11-8-23(32)18-26(
    25)35-29(27)21-2-6-22(31)
    7-3-21/h2-11,18-19,31-32H
    ,12-17H2,1H3;
    RLOZWABDAGQFIY-UHFFFAOYSA-N    		 CC1CCN(CCOc2ccc(cc2)C(=O)c3c(sc4cc(O)ccc
    34)c5ccc(O)cc5)CC1; CC1CCN(CC1)CCOc2ccc(
    cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O; O=
    C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN
    4CCC(C)CC4)cc5    		 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
    28296 LLC
    CHEMBL10030    		 2 C27 H25 N O4 S InChI=1S/C27H25NO4S/c29-2
    0-7-3-19(4-8-20)27-25(23-
    12-9-21(30)17-24(23)33-27
    )26(31)18-5-10-22(11-6-18
    )32-16-15-28-13-1-2-14-28
    /h3-12,17,29-30H,1-2,13-1
    6H2;
    JLERVPBPJHKRBJ-UHFFFAOYSA-N    		 c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc
    4)OCCN5CCCC5)O; Oc1ccc(cc1)c2sc3cc(O)ccc
    3c2C(=O)c4ccc(OCCN5CCCC5)cc4; O=C(c1c3cc
    c(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCC4)c
    c5    		 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
    28297 LLD
    CHEMBL3902318    		 5 C21 H25 N3 O5 S InChI=1S/C21H25N3O5S/c25-
    20(18-9-6-11-22-15-18)23-
    12-14-29-21(26)19-10-4-5-
    13-24(19)30(27,28)16-17-7
    -2-1-3-8-17/h1-3,6-9,11,1
    5,19H,4-5,10,12-14,16H2,(
    H,23,25)/t19-/m0/s1;
    YBYJEZJXJIOQAP-IBGZPJMESA-N    		 c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCNC(=
    O)c3cccnc3; O=C(NCCOC(=O)[C@@H]1CCCCN1[S
    ](=O)(=O)Cc2ccccc2)c3cccnc3; c1ccc(cc1)C
    S(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3ccc
    nc3; O=C(NCCOC(=O)[CH]1CCCCN1[S](=O)(=O)
    Cc2ccccc2)c3cccnc3    		 2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
    28298 LLE 8 C23 H39 N2 O13 P S InChI=1S/C23H39N2O13PS/c1
    -14(26)8-15(27)9-16(28)10
    -17(29)11-18(30)12-20(32)
    40-7-6-24-19(31)4-5-25-22
    (34)21(33)23(2,3)13-38-39
    (35,36)37/h9-11,20-21,27-
    29,32-33,35-37,39H,4-8,12
    -13H2,1-3H3,(H,24,31)(H,2
    5,34)/b15-9-,16-10-,17-11
    -/t20-,21+/m1/s1;
    FQZZDEAQTCCCMT-XOXVVNQZSA-N    		 CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCC
    NC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O
    )/O)/O)/O; CC(=O)CC(O)=CC(O)=CC(O)=CC(=O
    )C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)
    CO[PH](O)(O)O; CC(=O)CC(=CC(=CC(=CC(=O)C
    C(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)(O)O
    )O)O)O)O; CC(=O)C/C(O)=C/C(O)=C/C(O)=C/C
    (=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@H](O)C(
    C)(C)CO[PH](O)(O)O    		 (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
    28299 LLF
    ZINC000036470925    		 1 C10 H13 F2 N2 O5 P InChI=1S/C10H13F2N2O5P/c1
    -6-10(15)8(3-13-4-9(11)12
    )7(2-14-6)5-19-20(16,17)1
    8/h2-3,9,15H,4-5H2,1H3,(H
    2,16,17,18)/b13-3+;
    OXVHZSPVJUCFDH-QLKAYGNNSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O; FC
    (F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O; Cc1n
    cc(CO[P](O)(O)=O)c(C=NCC(F)F)c1O    		 (4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    (E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE
    28300 LLG
    DB08115
    ZINC000053683366    		 2 C14 H15 N O2 InChI=1S/C14H15NO2/c15-8-
    9-17-14(16)10-12-6-3-5-11
    -4-1-2-7-13(11)12/h1-7H,8
    -10,15H2;
    PDCSQCHNOPNJMK-UHFFFAOYSA-N    		 NCCOC(=O)Cc1cccc2ccccc12; c1ccc2c(c1)ccc
    c2CC(=O)OCCN; O=C(OCCN)Cc2cccc1ccccc12    		 2-aminoethyl naphthalen-1-ylacetate
    28301 LLH
    ZINC000002046851    		 10 C5 H9 N O7 InChI=1S/C5H9NO7/c7-1(3(9
    )5(11)12)2(8)4(10)6-13/h1
    -3,7-9,13H,(H,6,10)(H,11,
    12)/t1-,2+,3+/m0/s1;
    DMGBHBFPSRKPBV-ZVHKOUPVSA-N    		 ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O; ONC(
    =O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O; [C@H
    ]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O; O=C
    (O)C(O)C(O)C(O)C(=O)NO; C(C(C(=O)NO)O)(C
    (C(=O)O)O)O    		 (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID
    28302 LLI 2 C27 H36 N4 O4 InChI=1S/C27H36N4O4/c1-34
    -23-13-12-19(18-24(23)35-
    17-16-30-15-14-28-27(30)3
    3)25-21-10-6-7-11-22(21)2
    6(32)31(29-25)20-8-4-2-3-
    5-9-20/h6-7,12-13,18,20-2
    2H,2-5,8-11,14-17H2,1H3,(
    H,28,33)/t21-,22+/m0/s1;
    YLCZKQRIIGKMHV-FCHUYYIVSA-N    		 COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)
    C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1OCCN2C
    CNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5
    CCCCCC5; COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C
    4CCCCCC4)C(=O)[C@@H]5CC=CC[C@H]35; COc1c
    cc(cc1OCCN2CCNC2=O)C3=NN(C(=O)C4C3CC=CC4
    )C5CCCCCC5    		 (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
    28303 LLJ 0 C32 H44 N4 O2 InChI=1S/C32H40N4O2/c1-5-
    29-6-2-26-18-31(29)17-25(
    1)21-33-9-13-37-14-10-35-
    23-27-3-7-30-8-4-28(20-32
    (30)19-27)24-36-12-16-38-
    15-11-34-22-26/h1-8,17-20
    ,33-36H,9-16,21-24H2/p+4;
    GAVOKMJEFXZQJQ-UHFFFAOYSA-R    		 O4CC[NH2+]Cc2cc1cc(ccc1cc2)C[NH2+]CCOCC[
    NH2+]Cc5ccc3c(cc(cc3)C[NH2+]CC4)c5; c1cc
    2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5cc
    c(cc5c4)C[NH2+]CCOCC[NH2+]C2; C1COCC[NH2
    +]Cc2ccc3ccc(C[NH2+]CCOCC[NH2+]Cc4ccc5cc
    c(C[NH2+]1)cc5c4)cc3c2    		 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene;
    2,8,19,25-tetraaza-5,22-dioxa-[9,9](2,7)naphthalenophane
    28304 LLK 2 C15 H14 O2 InChI=1S/C15H14O2/c1-3-4-
    15(16)13-6-5-12-10-14(17-
    2)8-7-11(12)9-13/h3-10H,1
    -2H3/b4-3+;
    MDAHFYAQSIDRGG-ONEGZZNKSA-N    		 C/C=C/C(=O)c1ccc2cc(ccc2c1)OC; COc1ccc2c
    c(ccc2c1)C(=O)C=CC; COc1ccc2cc(ccc2c1)C(
    =O)/C=C/C; CC=CC(=O)c1ccc2cc(ccc2c1)OC;
    O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C    		 (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
    28305 LLL
    CHEMBL194126
    DB04729
    ZINC000008216590    		 23 C19 H39 N5 O7 InChI=1S/C19H39N5O7/c1-19
    (27)7-28-18(13(26)16(19)2
    4-2)31-15-11(23)5-10(22)1
    4(12(15)25)30-17-9(21)4-3
    -8(6-20)29-17/h8-18,24-27
    H,3-7,20-23H2,1-2H3/t8-,9
    +,10-,11+,12-,13+,14+,15-
    ,16+,17+,18+,19-/m0/s1;
    VEGXETMJINRLTH-BOZYPMBZSA-N    		 CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH]
    (N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3N)
    [CH]2O; O(C2C(O)C(OC1OC(CN)CCC1N)C(N)CC2
    N)C3OCC(O)(C(NC)C3O)C; CC1(COC(C(C1NC)O)
    OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O; C[
    C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2
    [C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C
    @@H](CC[C@H](O3)CN)N)N)N)O; CN[C@@H]1[C@
    @H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C
    [C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3
    N)[C@@H]2O    		 (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL;
    GENTAMICIN C1A
    28306 LLM
    CHEMBL155405
    ZINC000043422573    		 2 C30 H42 O7 InChI=1S/C30H42O7/c1-19-1
    2-13-34-23(15-19)10-11-25
    (31)27-18-28-30(37-28)26(
    32)17-21(3)14-20(2)16-24-
    8-4-6-22(35-24)7-5-9-29(3
    3)36-27/h4-6,9-12,20,22-2
    8,30-32H,3,7-8,13-18H2,1-
    2H3/b9-5-,11-10+/t20-,22-
    ,23+,24-,25-,26-,27-,28-,
    30-/m0/s1;
    MSBQEQDLFWWWMV-XZZGLLCESA-N    		 CC1CC2CC=CC(O2)CC=CC(=O)OC(CC3C(O3)C(CC(
    =C)C1)O)C(C=CC4CC(=CCO4)C)O; C[C@@H]1C[C
    @@H]2CC=C[C@@H](C\C=C/C(=O)O[C@@H](C[C@@
    H]3O[C@H]3[C@@H](O)CC(=C)C1)[C@@H](O)/C=
    C/[C@@H]4CC(=CCO4)C)O2; O=C3OC(C(O)/C=C/
    C1OCC=C(C)C1)CC4OC4C(O)CC(=C)\CC(C)CC2OC
    (C=CC2)CC=C3; C[C@@H]1C[C@@H]2CC=C[C@H](
    O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[
    C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CC
    O4)C)O; C[CH]1C[CH]2CC=C[CH](CC=CC(=O)O[
    CH](C[CH]3O[CH]3[CH](O)CC(=C)C1)[CH](O)C
    =C[CH]4CC(=CCO4)C)O2    		 Laulimalide;
    (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl }-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one
    28307 LLN 2 C28 H38 N4 O5 InChI=1S/C28H38N4O5/c33-1
    6-18-37-24-12-11-20(19-25
    (24)36-17-15-31-14-13-29-
    28(31)35)26-22-9-5-6-10-2
    3(22)27(34)32(30-26)21-7-
    3-1-2-4-8-21/h5-6,11-12,1
    9,21-23,33H,1-4,7-10,13-1
    8H2,(H,29,35)/t22-,23+/m0
    /s1;
    NSRKPNKUYKBHPD-XZOQPEGZSA-N    		 OCCOc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC
    4)C(=O)[CH]5CC=CC[CH]35; c1cc(c(cc1C2=NN
    (C(=O)C3C2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)
    OCCO; c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2
    CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO; OCCO
    c1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)C(
    =O)[C@@H]5CC=CC[C@H]35    		 (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
    28308 LLO
    ZINC000066157029    		 0 C12 H26 N2 O3 InChI=1S/C12H26N2O3/c1-9(
    8-12(2,3)17)14-7-5-4-6-10
    (13)11(15)16/h9-10,14,17H
    ,4-8,13H2,1-3H3,(H,15,16)
    /t9-,10-/m0/s1;
    DFHXLOGIWRRFER-UWVGGRQHSA-N    		 CC(CC(C)(C)O)NCCCCC(C(=O)O)N; C[C@@H](CC
    (C)(C)O)NCCCC[C@@H](C(=O)O)N; C[C@@H](CC
    (C)(C)O)NCCCC[C@H](N)C(O)=O; O=C(O)C(N)C
    CCCNC(CC(O)(C)C)C; C[CH](CC(C)(C)O)NCCCC
    [CH](N)C(O)=O    		 N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine;
    4-Hydroxy-4-Methyl-2-Pentanone
    28309 LLP
    DB04083
    ZINC000034150380    		 16 C14 H22 N3 O7 P InChI=1S/C14H22N3O7P/c1-9
    -13(18)11(10(6-17-9)8-24-
    25(21,22)23)7-16-5-3-2-4-
    12(15)14(19)20/h6-7,12,18
    H,2-5,8,15H2,1H3,(H,19,20
    )(H2,21,22,23)/b16-7+/t12
    -/m0/s1;
    YQSOQJORMNSDJL-QFULYMJESA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O
    )=O)c1O; n1c(C)c(O)c(\C=N\CCCCC(N)C(=O)O
    )c(c1)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(
    O)O)/C=N/CCCCC(C(=O)O)N)O; Cc1ncc(CO[P](
    O)(O)=O)c(C=NCCCC[C@H](N)C(O)=O)c1O; Cc1
    c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N)
    O    		 (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid;
    N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE
    28310 LLQ
    ZINC000001603749    		 8 C3 H8 O5 S InChI=1S/C3H8O5S/c4-1-3(5
    )2-9(6,7)8/h3-5H,1-2H2,(H
    ,6,7,8)/t3-/m0/s1;
    YPFUJZAAZJXMIP-VKHMYHEASA-N    		 C(C(CS(=O)(=O)O)O)O; C([C@@H](CS(=O)(=O)
    O)O)O; OC[C@H](O)C[S](O)(=O)=O; OC[CH](O
    )C[S](O)(=O)=O    		 (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid
    28311 LLR 4 C12 H21 Br N4 S InChI=1S/C12H21BrN4S/c1-3
    -17(4-2)11-6-5-9(7-10(11)
    13)8-15-16-12(14)18/h5-7,
    12,15-16,18H,3-4,8,14H2,1
    -2H3/t12-/m0/s1;
    RUDWDGHIPWUJQP-LBPRGKRZSA-N    		 CCN(CC)c1ccc(cc1Br)CNNC(N)S; CCN(CC)c1cc
    c(CNN[C@H](N)S)cc1Br; CCN(CC)c1ccc(cc1Br
    )CNN[C@H](N)S; CCN(CC)c1ccc(CNN[CH](N)S)
    cc1Br    		 (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol
    28312 LLS 1 C19 H12 Cl2 N4 O3 InChI=1S/C19H12Cl2N4O3/c1
    -8-13(16-9-4-2-3-5-10(9)1
    8(27)28-16)17(26)25(24-8)
    19-22-12-7-6-11(20)14(21)
    15(12)23-19/h2-7,16,26H,1
    H3,(H,22,23)/t16-/m0/s1;
    VIQXILLOJLATEF-INIZCTEOSA-N    		 Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[
    C@@H]4c5ccccc5C(=O)O4; Cc1nn(c(O)c1[CH]2
    OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4
    ; Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O
    )C4c5ccccc5C(=O)O4; Cc1nn(c(O)c1[C@H]2OC
    (=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4    		 (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one
    28313 LLT
    CHEMBL374731
    DB01265
    ZINC000000002159    		 3 C10 H14 N2 O5 InChI=1S/C10H14N2O5/c1-5-
    3-12(10(16)11-9(5)15)8-2-
    6(14)7(4-13)17-8/h3,6-8,1
    3-14H,2,4H2,1H3,(H,11,15,
    16)/t6-,7+,8+/m1/s1;
    IQFYYKKMVGJFEH-CSMHCCOUSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O; CC1=CN
    ([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O; O=C
    1NC(=O)N(C=C1C)C2OC(C(O)C2)CO; CC1=CN([C
    @@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O; C
    C1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2
    )CO)O    		 L-deoxythymidine;
    L-thymidine;
    beta-L-thymidine;
    L-dT;
    2'-deoxy-L-thymidine;
    1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
    28314 LLU
    ZINC000006678532    		 1 C9 H9 F O3 InChI=1S/C9H9FO3/c1-6(9(1
    1)12)13-8-5-3-2-4-7(8)10/
    h2-6H,1H3,(H,11,12)/t6-/m
    0/s1;
    MMWXPDDADHYFFS-LURJTMIESA-N    		 C[C@@H](C(=O)O)Oc1ccccc1F; CC(C(=O)O)Oc1
    ccccc1F; C[C@H](Oc1ccccc1F)C(O)=O; CC(Oc
    1ccccc1F)C(=O)O; C[CH](Oc1ccccc1F)C(O)=O    		 (2S)-2-(2-fluorophenoxy)propanoic acid
    28315 LLV 2 C28 H24 Br F N2 O5 InChI=1S/C28H24BrFN2O5/c1
    -15(28(36)37)31-26(34)25(
    32-14-20-12-21(29)8-9-22(
    20)27(32)35)11-17-3-5-18(
    6-4-17)23-13-19(16(2)33)7
    -10-24(23)30/h3-10,12-13,
    15,25H,11,14H2,1-2H3,(H,3
    1,34)(H,36,37)/t15-,25-/m
    0/s1;
    OIZONSTWGHXIOF-MQNRADLISA-N    		 C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2
    cc(ccc2F)C(=O)C)N3Cc4cc(ccc4C3=O)Br; C[C
    H](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)
    =O)N3Cc4cc(Br)ccc4C3=O)C(O)=O; CC(C(=O)O
    )NC(=O)C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3
    Cc4cc(ccc4C3=O)Br; C[C@H](NC(=O)[C@H](Cc
    1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)cc
    c4C3=O)C(O)=O    		 (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid
    28316 LLX
    CHEMBL271741
    ZINC000029126954    		 3 C19 H16 N2 O InChI=1S/C19H16N2O/c20-17
    -12-11-16(14-7-3-1-4-8-14
    )13-18(17)21-19(22)15-9-5
    -2-6-10-15/h1-13H,20H2,(H
    ,21,22);
    ZWLFHHHQRUYIBT-UHFFFAOYSA-N    		 O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3; Nc1cc
    c(cc1NC(=O)c2ccccc2)c3ccccc3; c1ccc(cc1)
    c2ccc(c(c2)NC(=O)c3ccccc3)N    		 N-(4-aminobiphenyl-3-yl)benzamide
    28317 LLY
    DB01815
    ZINC000006360448    		 0 C9 H16 N2 O6 InChI=1S/C9H16N2O6/c10-5(
    7(12)13)3-1-2-4-11-6(8(14
    )15)9(16)17/h5-6,11H,1-4,
    10H2,(H,12,13)(H,14,15)(H
    ,16,17)/t5-/m0/s1;
    XINFXVVRMYBFMI-YFKPBYRVSA-N    		 C(CCNC(C(=O)O)C(=O)O)CC(C(=O)O)N; O=C(O)
    C(C(=O)O)NCCCCC(N)C(=O)O; N[C@@H](CCCCNC
    (C(O)=O)C(O)=O)C(O)=O; N[CH](CCCCNC(C(O)
    =O)C(O)=O)C(O)=O; C(CCNC(C(=O)O)C(=O)O)C
    [C@@H](C(=O)O)N    		 NZ-(DICARBOXYMETHYL)LYSINE
    28318 LLZ
    ZINC000066157030    		 0 C21 H28 N2 O4 InChI=1S/C21H28N2O4/c1-14
    (23-10-4-3-5-19(22)21(25)
    26)11-20(24)17-7-6-16-13-
    18(27-2)9-8-15(16)12-17/h
    6-9,12-14,19,23H,3-5,10-1
    1,22H2,1-2H3,(H,25,26)/t1
    4-,19-/m0/s1;
    ITVGWHAQSRRMIM-LIRRHRJNSA-N    		 CC(CC(=O)c1ccc2cc(ccc2c1)OC)NCCCCC(C(=O)
    O)N; O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1
    )ccc(OC)c2; C[C@@H](CC(=O)c1ccc2cc(ccc2c
    1)OC)NCCCC[C@@H](C(=O)O)N; COc1ccc2cc(cc
    c2c1)C(=O)C[CH](C)NCCCC[CH](N)C(O)=O; CO
    c1ccc2cc(ccc2c1)C(=O)C[C@H](C)NCCCC[C@H]
    (N)C(O)=O    		 N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine
    28319 LM0 1 C14 H17 N3 O3 InChI=1S/C14H17N3O3/c1-9(
    18)15-16-14(20)13-7-11-5-
    3-4-6-12(11)8-17(13)10(2)
    19/h3-6,13H,7-8H2,1-2H3,(
    H,15,18)(H,16,20)/t13-/m0
    /s1;
    SATVLGDJXZFYJA-ZDUSSCGKSA-N    		 CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C;
    CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C; CC(=O
    )NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O; CC(=O
    )NNC(=O)C1Cc2ccccc2CN1C(C)=O; CC(=O)NNC(
    =O)[CH]1Cc2ccccc2CN1C(C)=O    		 (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
    28320 LM2
    CHEMBL1234040
    ZINC000016051549    		 1 C19 H34 N2 O15 InChI=1S/C19H34N2O15/c1-3
    2-15-6(3-23)33-19(12(29)9
    (15)26)36-16-7(4-24)34-18
    (13(30)10(16)27)35-14-5(2
    -22)20-17(21-31)11(28)8(1
    4)25/h5-16,18-19,22-31H,2
    -4H2,1H3,(H,20,21)/t5-,6-
    ,7-,8-,9-,10-,11-,12-,13-
    ,14-,15-,16-,18-,19-/m1/s
    1;
    INFXBQXKGPGIEV-PXPLVWFRSA-N    		 CO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]
    2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](
    CO)NC(=NO)[CH](O)[CH]3O; O(C1C(O)C(O)C(=
    N\O)\NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)
    C(O)C3O)CO; COC1C(OC(C(C1O)O)OC2C(OC(C(C
    2O)O)OC3C(NC(=NO)C(C3O)O)CO)CO)CO; CO[C@
    H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C
    @H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[
    C@@H]3[C@@H](CO)NC(=N\O)/[C@H](O)[C@H]3O
    ; CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)
    O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O
    )O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)
    O)CO)CO)CO    		 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE;
    4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
    28321 LM3
    CHEMBL4646628
    ZINC000095921388    		 1 C21 H18 N4 InChI=1S/C21H18N4/c1-25(2
    )20-14-19(16-10-12-22-13-
    11-16)21(24-23-20)18-9-5-
    7-15-6-3-4-8-17(15)18/h3-
    14H,1-2H3;
    GEAPHVHHVPDTKQ-UHFFFAOYSA-N    		 CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4;
    CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
    ; n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc
    4    		 N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
    28322 LM4
    CHEMBL4648060
    ZINC000095921387    		 1 C21 H18 N4 InChI=1S/C21H18N4/c1-25(2
    )20-14-19(16-9-11-22-12-1
    0-16)21(24-23-20)18-8-7-1
    5-5-3-4-6-17(15)13-18/h3-
    14H,1-2H3;
    ODFGOBPLQKLCRM-UHFFFAOYSA-N    		 n4ccc(c3cc(nnc3c1ccc2c(c1)cccc2)N(C)C)cc
    4; CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccnc
    c4; CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc
    4c3    		 N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
    28323 LM5
    ZINC000095920550    		 4 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c1-8-
    11(16)12(17)10(15-8)13(18
    )14-7-9-5-3-2-4-6-9/h2-6,
    8,10-12,15-17H,7H2,1H3,(H
    ,14,18)/t8-,10+,11+,12-/m
    0/s1;
    RJAKCSBNEIOVPB-GMNPVEAJSA-N    		 C[CH]1N[CH]([CH](O)[CH]1O)C(=O)NCc2ccccc
    2; C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc
    2ccccc2)O)O; CC1C(C(C(N1)C(=O)NCc2ccccc2
    )O)O; C[C@@H]1N[C@H]([C@H](O)[C@@H]1O)C(
    =O)NCc2ccccc2; O=C(NCc1ccccc1)C2NC(C)C(O
    )C2O    		 (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide
    28324 LM6
    ZINC000000034156    		 1 C7 H13 N3 InChI=1S/C7H13N3/c1-3-10-
    7(6-8-2)4-5-9-10/h4-5,8H,
    3,6H2,1-2H3;
    IPBXAQNEXLMXRW-UHFFFAOYSA-N    		 CCn1c(ccn1)CNC; CCn1nccc1CNC 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine
    28325 LM7 2 C14 H9 N3 O5 InChI=1S/C14H9N3O5/c18-12
    -6-5-8(7-11(12)17(21)22)1
    6-10-4-2-1-3-9(10)13(19)1
    5-14(16)20/h1-7,18H,(H,15
    ,19,20);
    YVQCKIRAVMSRGN-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](
    =O)[O-])O; O=[N+]([O-])c1cc(ccc1O)N3c2cc
    ccc2C(NC3=O)=O; Oc1ccc(cc1[N+]([O-])=O)N
    2C(=O)NC(=O)c3ccccc23    		 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
    28326 LM8
    ZINC000215992109    		 4 C21 H34 O2 InChI=1S/C21H34O2/c1-3-4-
    5-11-14-17-20(2)18-15-12-
    9-7-6-8-10-13-16-19-21(22
    )23/h7-10,14-15,17-18,20H
    ,3-6,11-13,16,19H2,1-2H3,
    (H,22,23)/b9-7-,10-8-,17-
    14-,18-15-/t20-/m0/s1;
    PIZRMBAQQYSBSA-URRNNGNDSA-N    		 CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(
    =O)O; CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)=
    O; CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O; CCC
    CC\C=C/[C@H](C)/C=C\C\C=C/C\C=C/CCCC(O)=
    O; O=C(O)CCC\C=C/C\C=C/C\C=C/C(\C=C/CCCC
    C)C    		 (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid;
    (5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid
    28327 LM9
    ZINC000000142524    		 1 C13 H8 Cl2 N4 O InChI=1S/C13H8Cl2N4O/c14-
    8-5-6-12(10(15)7-8)20-11-
    4-2-1-3-9(11)13-16-18-19-
    17-13/h1-7H,(H,16,17,18,1
    9);
    NUYWOTGHOXXCLV-UHFFFAOYSA-N    		 Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1; c1c
    cc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl; Clc1
    ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1    		 (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
    28328 LMA
    ZINC000263620420    		 0 C43 H74 O15 InChI=1S/C43H74O15/c1-20-
    18-42(13,49)38(47)26(7)36
    (54-30(11)45)25(6)35(22(3
    )28(9)44)57-40(48)27(8)37
    (24(5)34(20)58-41-23(4)32
    (50-15)17-21(2)52-41)56-3
    3-19-43(14,51-16)39(29(10
    )53-33)55-31(12)46/h20-29
    ,32-37,39,41,44,49H,17-19
    H2,1-16H3/t20-,21+,22+,23
    +,24+,25-,26+,27+,28+,29-
    ,32-,33-,34-,35+,36-,37-,
    39+,41-,42-,43+/m0/s1;
    FIYJFVCGASKYLV-QDYGBMDYSA-N    		 CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)
    C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C
    (C)C(C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO[CH]
    1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(O)C(
    =O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC(=O
    )[CH](C)[CH](O[CH]3C[C](C)(OC)[CH](OC(C)
    =O)[CH](C)O3)[CH]2C)[CH](C)[CH](C)O)[CH]
    1C; O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(=
    O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC
    2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C; C[C@
    @H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]
    (C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(
    =O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([
    C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](
    C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO
    [C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)
    C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[
    C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](O[C@H
    ]3C[C@@](C)(OC)[C@H](OC(C)=O)[C@H](C)O3)
    [C@@H]2C)[C@H](C)[C@@H](C)O)[C@@H]1C    		 Lankamycin;
    [(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R, 4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy- 2,4-dimethyl-oxan-3-yl] ethanoate
    28329 LMB
    ZINC000098209119    		 5 C33 H52 O7 InChI=1S/C33H52O7/c1-9-28
    (14-15-29(34)24(5)13-16-3
    0(35)36)19-22(3)12-10-11-
    21(2)17-25(6)32(39)27(8)3
    3(40)26(7)18-23(4)20-31(3
    7)38/h10-11,14-15,17,19-2
    0,22,24-27,29,33-34,40H,9
    ,12-13,16,18H2,1-8H3,(H,3
    5,36)(H,37,38)/b11-10+,15
    -14+,21-17+,23-20+,28-19-
    /t22-,24+,25-,26+,27-,29+
    ,33-/m1/s1;
    GCBBLAVMGONVHO-XYERBDPFSA-N    		 O=C(O)CCC(C)C(O)/C=C/C(=C\C(C)C/C=C/C(=C
    /C(C(=O)C(C)C(O)C(C)CC(=C\C(=O)O)\C)C)C)
    CC; CCC(C=C[CH](O)[CH](C)CCC(O)=O)=C[CH]
    (C)CC=CC(C)=C[CH](C)C(=O)[CH](C)[CH](O)[
    CH](C)CC(C)=CC(O)=O; CCC(/C=C/[C@H](O)[C
    @@H](C)CCC(O)=O)=C/[C@H](C)C/C=C/C(C)=C/
    [C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)
    CC(/C)=C/C(O)=O; CCC(=CC(C)CC=CC(=CC(C)C
    (=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC(C(C
    )CCC(=O)O)O; CC/C(=C/[C@H](C)C/C=C/C(=C/
    [C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C
    /C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](
    C)CCC(=O)O)O    		 Leptomycin B, bound form
    28330 LMC
    ZINC000058649899    		 4 C18 H21 N O InChI=1S/C18H21NO/c1-14(1
    2-13-20)8-7-11-17-18(2,3)
    15-9-5-6-10-16(15)19(17)4
    /h5-13H,1-4H3/b8-7+,14-12
    +,17-11+;
    UGINWNVBXWWHCS-RZZAMGAFSA-N    		 CN1c2ccccc2C(C)(C)/C1=C\C=C\C(/C)=C/C=O;
    C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)
    C; O=C\C=C(\C=C\C=C2\N(c1ccccc1C2(C)C)C)
    C; CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C; C
    N1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O    		 (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal;
    (2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal
    28331 LMD
    ZINC000098209120    		 19 C26 H50 O11 InChI=1S/C26H50O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-34-25-23(33)21(31)24(1
    8(16-28)36-25)37-26-22(32
    )20(30)19(29)17(15-27)35-
    26/h17-33H,2-16H2,1H3/t17
    -,18-,19-,20+,21-,22-,23-
    ,24-,25-,26-/m1/s1;
    UKPROSIGWJBJGA-IWODYCRQSA-N    		 CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(
    C(O2)CO)O)O)O)O)O; CCCCCCCCCCCCCCO[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)O)O)
    O; CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H
    ](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H
    ]2O)[C@H](O)[C@H]1O; O(CCCCCCCCCCCCCC)C2
    OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; CC
    CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[
    CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1
    O    		 tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
    n-Tetradecyl-b-D-maltopyranosid
    28332 LME
    CHEMBL290744
    DB03810
    ZINC000001672629    		 0 C6 H11 N O4 InChI=1S/C6H11NO4/c1-3(2-
    4(8)9)5(7)6(10)11/h3,5H,2
    ,7H2,1H3,(H,8,9)(H,10,11)
    /t3-,5+/m1/s1;
    FHJNAFIJPFGZRI-WUJLRWPWSA-N    		 C[C@H](CC(=O)O)[C@@H](C(=O)O)N; C[CH](CC
    (O)=O)[CH](N)C(O)=O; CC(CC(=O)O)C(C(=O)O
    )N; O=C(O)C(N)C(CC(=O)O)C; C[C@H](CC(O)=
    O)[C@H](N)C(O)=O    		 (2S,3R)-2-azanyl-3-methyl-pentanedioic acid;
    (3R)-3-methyl-L-glutamic acid
    28333 LMF 0 C8 H17 N3 O2 S InChI=1S/C8H17N3O2S/c1-10
    -8(14)11-5-3-2-4-6(9)7(12
    )13/h6H,2-5,9H2,1H3,(H,12
    ,13)(H2,10,11,14);
    ZRPGWKQIWAUACK-UHFFFAOYSA-N    		 CNC(=S)NCCCCC(N)C(O)=O; CNC(=S)NCCCCC(C(
    =O)O)N; CNC(=S)NCCCC[C@@H](C(=O)O)N    		 NZ(N-METHYL THIOFORMAMIDE) LYSINE
    28334 LMG
    ZINC000085591647    		 0 C45 H86 O10 InChI=1S/C45H86O10/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-40(47)52-
    36-38(37-53-45-44(51)43(5
    0)42(49)39(35-46)55-45)54
    -41(48)34-32-30-28-26-24-
    22-20-18-16-14-12-10-8-6-
    4-2/h38-39,42-46,49-51H,3
    -37H2,1-2H3/t38-,39-,42+,
    43+,44-,45-/m1/s1;
    DCLTVZLYPPIIID-CVELTQQQSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1
    )CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)
    [CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCC
    CCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO
    C1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCCCC; C
    CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@
    @H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)
    CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O
    )OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H
    ](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC    		 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
    28335 LMH 2 C31 H55 O9 P InChI=1S/C31H55O9P/c1-22(
    2)11-7-12-23(3)13-8-14-24
    (4)15-9-16-25(5)17-10-18-
    26(6)19-20-38-41(36,37)40
    -31-30(35)29(34)28(33)27(
    21-32)39-31/h11,13,15,17,
    26-35H,7-10,12,14,16,18-2
    1H2,1-6H3,(H,36,37)/b23-1
    3+,24-15-,25-17-/t26-,27+
    ,28+,29-,30+,31-/m0/s1;
    AGLXCEGQRIYVRV-HAYNYTLHSA-N    		 CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO
    P(=O)(O)OC1C(C(C(C(O1)CO)O)O)O; C[CH](CC
    O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)
    [CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
    ; C[C@H](CCO[P](O)(=O)O[C@@H]1O[C@H](CO)
    [C@@H](O)[C@H](O)[C@H]1O)CC\C=C(C)/CC\C=
    C(C)/CC\C=C(C)\CCC=C(C)C; C[C@@H](CC/C=C
    (/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCO
    P(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O)O)O    		 glucosyl-dolichol phosphate
    28336 LMI
    ZINC000408515053    		 1 C16 H23 N3 O5 InChI=1S/C16H23N3O5/c1-16
    (2,3)24-15(22)17-9-8-13(2
    0)18-10-11-4-6-12(7-5-11)
    14(21)19-23/h4-7,23H,8-10
    H2,1-3H3,(H,17,22)(H,18,2
    0)(H,19,21);
    XZBWQLIYDNHHJF-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)N
    O    		 tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate
    28337 LMJ 1 C21 H23 Br Cl N3 O InChI=1S/C21H23BrClN3O/c1
    -19(2)16-9-21-4-3-5-26(21
    )10-20(16,25-18(21)27)8-1
    2-11-6-14(23)13(22)7-15(1
    1)24-17(12)19/h6-7,16,24H
    ,3-5,8-10H2,1-2H3,(H,25,2
    7)/t16-,20+,21-/m0/s1;
    HGDDRCCRXJDDLU-DQLDELGASA-N    		 CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)CC45C1CC6(
    CCCN6C4)C(=O)N5)C; CC1(C)[CH]2C[C]34CCCN
    3C[C]2(Cc5c1[nH]c6cc(Br)c(Cl)cc56)NC4=O;
    CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[
    nH]c6cc(Br)c(Cl)cc56)NC4=O; C5(C)(C1CC32
    C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56)
    =O)C; CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@
    ]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one;
    isomalbrancheamide D
    28338 LMK 22 C46 H94 N O7 InChI=1S/C46H93NO7/c1-6-8
    -10-12-14-16-18-20-22-24-
    26-28-30-32-34-36-44(48)5
    3-41-42(40-52-39-38-43(46
    (50)51)47(3,4)5)54-45(49)
    37-35-33-31-29-27-25-23-2
    1-19-17-15-13-11-9-7-2/h4
    2-45,48-49H,6-41H2,1-5H3/
    p+1/t42-,43+,44+,45-/m0/s
    1;
    BUXLRCGOLVGJEI-LHQLQFMZSA-O    		 CCCCCCCCCCCCCCCCC[CH](O)OC[CH](COCC[CH](
    C(O)=O)[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(O)OCC(COCCC(C(=
    O)O)[N+](C)(C)C)OC(CCCCCCCCCCCCCCCCC)O;
    CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@
    H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCC
    CCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[C
    @H](COCC[C@H](C(O)=O)[N+](C)(C)C)O[C@H](
    O)CCCCCCCCCCCCCCCCC    		 trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
    28339 LML
    ZINC000001716647    		 1 C7 H12 O4 InChI=1S/C7H12O4/c1-4(2)3
    -5(6(8)9)7(10)11/h4-5H,3H
    2,1-2H3,(H,8,9)(H,10,11);
    FTKIARCSSZWRFJ-UHFFFAOYSA-N    		 CC(C)CC(C(O)=O)C(O)=O; CC(C)CC(C(=O)O)C(
    =O)O; O=C(O)C(C(=O)O)CC(C)C    		 ISOBUTYL MALONIC ACID
    28340 LMM
    CHEMBL3116056
    ZINC000095921166    		 2 C17 H17 F N8 S InChI=1S/C17H17FN8S/c1-9-
    7-27-14-13(9)24-17(22-10(
    2)15-19-4-11(18)5-20-15)2
    5-16(14)23-12-6-26(3)8-21
    -12/h4-8,10H,1-3H3,(H2,22
    ,23,24,25)/t10-/m0/s1;
    DVWTWOHVDUVPJV-JTQLQIEISA-N    		 C[C@H](Nc1nc(Nc2cn(C)cn2)c3scc(C)c3n1)c4
    ncc(F)cn4; Cc1csc2c1nc(nc2Nc3cn(cn3)C)NC
    (C)c4ncc(cn4)F; Fc1cnc(nc1)C(Nc2nc(c3scc
    (c3n2)C)Nc4ncn(c4)C)C; C[CH](Nc1nc(Nc2cn
    (C)cn2)c3scc(C)c3n1)c4ncc(F)cn4; Cc1csc2
    c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)
    F    		 N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
    28341 LMN 142 C47 H88 O22 InChI=1S/C47H88O22/c1-3-5
    -7-9-11-13-15-17-19-47(20
    -18-16-14-12-10-8-6-4-2,2
    5-62-43-39(60)35(56)41(29
    (23-50)66-43)68-45-37(58)
    33(54)31(52)27(21-48)64-4
    5)26-63-44-40(61)36(57)42
    (30(24-51)67-44)69-46-38(
    59)34(55)32(53)28(22-49)6
    5-46/h27-46,48-61H,3-26H2
    ,1-2H3/t27-,28-,29-,30-,3
    1-,32-,33+,34+,35-,36-,37
    -,38-,39-,40+,41-,42-,43-
    ,44-,45-,46-/m0/s1;
    MADJBYLAYPCCOO-XYPZXBMFSA-N    		 O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(
    OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3O
    C(CO)C(O)C(O)C3O)C(O)C4O)CO; CCCCCCCCCCC
    (CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2
    O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH
    ]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)
    [CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O; CCCC
    CCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[
    C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O
    )[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@
    @H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)
    [C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; CCCC
    CCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC
    2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)
    CO)OC4C(C(C(C(O4)CO)O)O)O)O)O; CCCCCCCCC
    CC(CCCCCCCCCC)(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)O)O)O)CO[C@@H]3[C@H]
    ([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H](
    [C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O    		 Lauryl Maltose Neopentyl Glycol;
    2,2-didecylpropane-1,3-bis-b-D-maltopyranoside
    28342 LMO 2 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    23-21(30)20(29)18(27)16(3
    5-23)14-33-24-22(31)19(28
    )17(26)15(13-25)34-24/h15
    -31H,2-14H2,1H3/t15-,16-,
    17+,18-,19+,20+,21-,22-,2
    3-,24+/m1/s1;
    HBVAWIPMNSJELA-RWNQQKCBSA-N    		 CCCCCCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2
    )CO)O)O)O)O)O)O; CCCCCCCCCCCCO[CH]1O[CH]
    (CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[C
    H](O)[CH](O)[CH]1O; C(OC1C(C(C(C(CO)O1)O
    )O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O; C
    CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C
    @H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H]
    (O2)CO)O)O)O)O)O)O; CCCCCCCCCCCCO[C@@H]1
    O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O
    )[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O    		 dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside;
    DDMB;
    dodecyl melibioside
    28343 LMP
    ZINC000034104691    		 11 C17 H27 N3 O6 S InChI=1S/C17H27N3O6S/c1-7
    -12(11(8(2)21)16(23)24)19
    -13(17(25)26)14(7)27-9-5-
    10(18-6-9)15(22)20(3)4/h7
    -12,14,18,21H,5-6H2,1-4H3
    ,(H,23,24)(H,25,26)/t7-,8
    -,9+,10+,11-,12-,14+/m1/s
    1;
    CDYPSIIDXKMBLV-CFINEGTKSA-N    		 CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(N
    C2)C(=O)N(C)C; C[C@@H](O)[C@H]([C@@H]1N=
    C([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N(C)C)
    [C@@H]1C)C(O)=O)C(O)=O; C[CH](O)[CH]([CH
    ]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[C
    H]1C)C(O)=O)C(O)=O; C[C@H]1[C@@H](C(=N[C
    @H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@
    H]2C[C@H](NC2)C(=O)N(C)C    		 (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid;
    Hydrolyzed Meropenem
    28344 LMQ 0 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-3(2
    -4(7)9)5(8)6(10)11/h3,5H,
    2,8H2,1H3,(H2,7,9)(H,10,1
    1)/t3-,5-/m0/s1;
    RWBLYSWJMSKZAL-UCORVYFPSA-N    		 C[C@@H](CC(=O)N)[C@@H](C(=O)O)N; C[CH](C
    C(N)=O)[CH](N)C(O)=O; C[C@@H](CC(N)=O)[C
    @H](N)C(O)=O; CC(CC(=O)N)C(C(=O)O)N; O=C
    (N)CC(C)C(N)C(=O)O    		 (3S)-3-methyl-L-glutamine;
    beta-methylglutamine
    28345 LMR
    CHEMBL1234046
    ZINC000000895074    		 20 C4 H6 O5 InChI=1S/C4H6O5/c5-2(4(8)
    9)1-3(6)7/h2,5H,1H2,(H,6,
    7)(H,8,9)/t2-/m0/s1;
    BJEPYKJPYRNKOW-REOHCLBHSA-N    		 O[CH](CC(O)=O)C(O)=O; C(C(C(=O)O)O)C(=O)
    O; O[C@@H](CC(O)=O)C(O)=O; C([C@@H](C(=O
    )O)O)C(=O)O; O=C(O)CC(O)C(=O)O    		 (2S)-2-hydroxybutanedioic acid;
    L-Malate
    28346 LMS
    CHEMBL471144
    DB02916    		 15 C10 H14 N6 O6 S InChI=1S/C10H14N6O6S/c11-
    8-5-9(14-2-13-8)16(3-15-5
    )10-7(18)6(17)4(22-10)1-2
    1-23(12,19)20/h2-4,6-7,10
    ,17-18H,1H2,(H2,11,13,14)
    (H2,12,19,20)/t4-,6-,7-,1
    0-/m1/s1;
    GNZLUJQJDPRUTD-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COS(=O)(=O)N)O)O)N; Nc1ncnc2n(cnc
    12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH]
    3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](
    N)(=O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n
    (cn2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N; O=S(
    =O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N    		 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
    28347 LMT
    CHEMBL1234047
    ZINC000016051829    		 0 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    23-21(31)19(29)22(16(14-2
    6)34-23)35-24-20(30)18(28
    )17(27)15(13-25)33-24/h15
    -31H,2-14H2,1H3/t15-,16-,
    17-,18+,19-,20-,21-,22-,2
    3-,24-/m1/s1;
    NLEBIOOXCVAHBD-QKMCSOCLSA-N    		 CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C
    @H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[
    C@H](O)[C@H]1O; CCCCCCCCCCCCOC1C(C(C(C(O
    1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCC
    CCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)
    [CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCC
    CCCCCCCCO[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)O)O)O; O(CCCCCCCCCCCC)C2OC(C(
    OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO    		 DODECYL-BETA-D-MALTOSIDE
    28348 LMU
    CHEMBL1234048
    DB03279
    ZINC000014253923    		 0 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    23-21(31)19(29)22(16(14-2
    6)34-23)35-24-20(30)18(28
    )17(27)15(13-25)33-24/h15
    -31H,2-14H2,1H3/t15-,16-,
    17-,18+,19-,20-,21-,22-,2
    3+,24-/m1/s1;
    NLEBIOOXCVAHBD-YHBSTRCHSA-N    		 CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@
    H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C
    @H](O)[C@H]1O; CCCCCCCCCCCCOC1C(C(C(C(O1
    )CO)OC2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCCC
    CCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCCC
    CCCCCCCO[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)O)O)O; O(CCCCCCCCCCCC)C2OC(C(
    OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO    		 DODECYL-ALPHA-D-MALTOSIDE
    28349 LMV 2 C24 H28 Cl2 N2 O4 S InChI=1S/C24H28Cl2N2O4S/c
    1-15(2)14-33(30,31)27-24(
    29)17-6-9-22-21(10-17)28(
    12-16-4-3-5-16)13-23(32-2
    2)19-8-7-18(25)11-20(19)2
    6/h6-11,15-16,23H,3-5,12-
    14H2,1-2H3,(H,27,29)/t23-
    /m1/s1;
    UHSJMFUMFQAOOO-HSZRJFAPSA-N    		 CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC(O2)
    c3ccc(cc3Cl)Cl)CC4CCC4; CC(C)C[S](=O)(=O
    )NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc
    (Cl)cc4Cl; CC(C)CS(=O)(=O)NC(=O)c1ccc2c(
    c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4;
    CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[C@H](CN(C
    C3CCC3)c2c1)c4ccc(Cl)cc4Cl    		 (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
    28350 LMW
    ZINC000000404661    		 2 C10 H16 N2 O InChI=1S/C10H16N2O/c1-2-1
    2(7-8-13)10-5-3-9(11)4-6-
    10/h3-6,13H,2,7-8,11H2,1H
    3;
    WFXLRLQSHRNHCE-UHFFFAOYSA-N    		 CCN(CCO)c1ccc(N)cc1; CCN(CCO)c1ccc(cc1)N 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
    28351 LMY 1 C32 H35 F3 N8 O S InChI=1S/C32H35F3N8OS/c1-
    19-20(3-4-26-24(19)9-22(1
    2-36)43(26)17-30-14-31(15
    -30,16-30)38-18-44)13-42-
    7-5-21(6-8-42)39-27-25-10
    -23(11-32(33,34)35)45-28(
    25)41-29(37-2)40-27/h3-4,
    9-10,18,21H,5-8,11,13-17H
    2,1-2H3,(H,38,44)(H2,37,3
    9,40,41)/t30-,31+;
    MBFYNGBMAACLAT-QRRGNZNSSA-N    		 Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)C
    N5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F;
    CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C
    6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1    		 ~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
    28352 LMZ
    DB04128
    ZINC000003871157    		 70 C9 H14 N4 O7 InChI=1S/C9H14N4O7/c14-2-
    4(16)6(17)3(15)1-10-7-5(1
    3-20)8(18)12-9(19)11-7/h3
    -4,6,14-17H,1-2H2,(H3,10,
    11,12,18,19)/t3-,4+,6-/m0
    /s1;
    YMWIHKCBRFEJMH-RPDRRWSUSA-N    		 OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)N
    C(=O)N1; O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)
    C(=O)N1; C([C@@H]([C@@H]([C@@H](CO)O)O)O
    )NC1=C(C(=O)NC(=O)N1)N=O; OC[C@@H](O)[C@
    @H](O)[C@@H](O)CNC1=C(N=O)C(=O)NC(=O)N1;
    C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=
    O    		 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
    28353 LN0
    ZINC000095921191    		 0 C18 H32 N2 O6 S InChI=1S/C18H32N2O6S/c1-5
    -6-10-7-11(20(3)8-10)17(2
    5)19-12(9(2)21)16-14(23)1
    3(22)15(24)18(26-16)27-4/
    h10-16,18,22-24H,5-8H2,1-
    4H3,(H,19,25)/t10-,11+,12
    -,13+,14-,15-,16-,18-/m1/
    s1;
    YZRHYYDECCEWRG-DWVYNAINSA-N    		 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@@H]([C@
    H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C(
    C)=O; CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@
    H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)S
    C)O)O)O)C(=O)C; CCCC1CC(N(C1)C)C(=O)NC(C
    2C(C(C(C(O2)SC)O)O)O)C(=O)C; CCC[CH]1C[C
    H](N(C)C1)C(=O)N[CH]([CH]2O[CH](SC)[CH](
    O)[CH](O)[CH]2O)C(C)=O; O=C(C)C(NC(=O)C1
    N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O    		 methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose;
    lincomycin, oxidized form
    28354 LN1
    DB08116
    ZINC000058639150    		 1 C22 H22 N2 O9 S InChI=1S/C22H22N2O9S/c1-2
    2(34(31)32,12-33-18(28)9-
    13-5-6-16(26)17(27)8-13)1
    9(21(29)30)23-20-14(11-25
    )10-15-4-2-3-7-24(15)20/h
    2-8,10-11,19,23,26-27H,9,
    12H2,1H3,(H,29,30)(H,31,3
    2)/t19-,22-/m0/s1;
    DEOZLEGRVHDNKC-UGKGYDQZSA-N    		 C[C](COC(=O)Cc1ccc(O)c(O)c1)([CH](Nc2n3c
    cccc3cc2C=O)C(O)=O)[S](O)=O; C[C@](COC(=
    O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3
    n2cccc3)C=O)[S@@](=O)O; O=C(OCC(S(=O)O)(
    C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)
    c(O)c3; CC(COC(=O)Cc1ccc(c(c1)O)O)(C(C(=
    O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O; C[C@](CO
    C(=O)Cc1ccc(O)c(O)c1)([C@@H](Nc2n3ccccc3
    cc2C=O)C(O)=O)[S@](O)=O    		 (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
    28355 LN2 2 C28 H25 F N2 O5 InChI=1S/C28H25FN2O5/c1-1
    6(28(35)36)30-26(33)25(31
    -15-21-5-3-4-6-22(21)27(3
    1)34)13-18-7-9-19(10-8-18
    )23-14-20(17(2)32)11-12-2
    4(23)29/h3-12,14,16,25H,1
    3,15H2,1-2H3,(H,30,33)(H,
    35,36)/t16-,25-/m0/s1;
    TXGHAFIFHKHLOM-LMKMVOKYSA-N    		 C[C@H](NC(=O)[C@H](Cc1ccc(cc1)c2cc(ccc2F
    )C(C)=O)N3Cc4ccccc4C3=O)C(O)=O; C[C@@H](
    C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2cc(ccc2F
    )C(=O)C)N3Cc4ccccc4C3=O; CC(C(=O)O)NC(=O
    )C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3Cc4ccc
    cc4C3=O; C[CH](NC(=O)[CH](Cc1ccc(cc1)c2c
    c(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O    		 (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid
    28356 LN3 2 C40 H52 N6 O17 S InChI=1S/C40H52N6O17S/c47
    -29(42-25(18-32(50)51)36(
    58)43-26(19-33(52)53)37(5
    9)44-27(39(62)63)20-34(54
    )55)10-8-6-4-2-1-3-5-7-9-
    17-46(22-35(56)57)31(49)1
    6-15-30(48)45-40-41-21-28
    (64-40)23-11-13-24(14-12-
    23)38(60)61/h11-14,21,25-
    27H,1-10,15-20,22H2,(H,42
    ,47)(H,43,58)(H,44,59)(H,
    50,51)(H,52,53)(H,54,55)(
    H,56,57)(H,60,61)(H,62,63
    )(H,41,45,48)/t25-,26-,27
    -/m0/s1;
    GSTABKNLIUJVNF-QKDODKLFSA-N    		 c1cc(ccc1c2cnc(s2)NC(=O)CCC(=O)N(CCCCCCC
    CCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC
    (=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)CC(=O)
    O)C(=O)O; OC(=O)C[C@H](NC(=O)[C@H](CC(O)
    =O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCCCC
    N(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc
    2)C(O)=O)C(O)=O; OC(=O)C[CH](NC(=O)[CH](
    CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCC
    CCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2cc
    c(cc2)C(O)=O)C(O)=O; c1cc(ccc1c2cnc(s2)N
    C(=O)CCC(=O)N(CCCCCCCCCCCC(=O)NC(CC(=O)O
    )C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)
    CC(=O)O)C(=O)O    		 (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid
    28357 LN4
    CHEMBL189354
    ZINC000014945139    		 1 C25 H21 F4 N7 O3 S InChI=1S/C25H21F4N7O3S/c1
    -36(22-11-12-31-23(35-22)
    32-17-3-2-4-19(14-17)40(3
    0,38)39)18-8-6-16(7-9-18)
    33-24(37)34-21-13-15(25(2
    7,28)29)5-10-20(21)26/h2-
    14H,1H3,(H2,30,38,39)(H,3
    1,32,35)(H2,33,34,37);
    PPTQWMQTXBVAHT-UHFFFAOYSA-N    		 CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)
    c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N; CN(c1cc
    c(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc(
    Nc4cccc(c4)[S](N)(=O)=O)n3    		 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea
    28358 LN5
    CHEMBL507472
    ZINC000040380536    		 2 C8 H17 N3 O2 InChI=1S/C8H17N3O2/c1-2-7
    (10)11-5-3-4-6(9)8(12)13/
    h6H,2-5,9H2,1H3,(H2,10,11
    )(H,12,13)/t6-/m0/s1;
    ZYIBCZWVLDODOL-LURJTMIESA-N    		 [H]N=C(CC)NCCCC(C(=O)O)N; CCC(=N)NCCC[C@
    H](N)C(O)=O; [H]/N=C(/CC)\NCCC[C@@H](C(=
    O)O)N; O=C(O)C(N)CCCNC(=[N@H])CC; CCC(=N
    )NCCC[CH](N)C(O)=O    		 N5-(1-iminopropyl)-L-ornithine;
    (2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid
    28359 LN6
    ZINC000038812736    		 2 C10 H21 N3 O2 InChI=1S/C10H21N3O2/c1-2-
    3-6-9(12)13-7-4-5-8(11)10
    (14)15/h8H,2-7,11H2,1H3,(
    H2,12,13)(H,14,15)/t8-/m0
    /s1;
    YJYNJYPKPDAGPU-QMMMGPOBSA-N    		 CCCCC(=N)NCCC[C@H](N)C(O)=O; O=C(O)C(N)C
    CCNC(=[N@H])CCCC; CCCCC(=N)NCCC[CH](N)C(
    O)=O; CCCCC(=N)NCCCC(C(=O)O)N; [H]/N=C(\
    CCCC)/NCCC[C@@H](C(=O)O)N    		 N~5~-[(1E)-pentanimidoyl]-L-ornithine;
    N5-(1-iminopentyl)-L-ornithine
    28360 LN7
    ZINC000058649375    		 2 C10 H23 N3 O2 InChI=1S/C10H23N3O2/c1-2-
    3-6-9(12)13-7-4-5-8(11)10
    (14)15/h8-9,13H,2-7,11-12
    H2,1H3,(H,14,15)/t8-,9-/m
    0/s1;
    RLYDQIKERMGUOF-IUCAKERBSA-N    		 CCCC[CH](N)NCCC[CH](N)C(O)=O; O=C(O)C(N)
    CCCNC(N)CCCC; CCCCC(N)NCCCC(C(=O)O)N; CC
    CC[C@@H](N)NCCC[C@@H](C(=O)O)N; CCCC[C@@
    H](N)NCCC[C@H](N)C(O)=O    		 N~5~-[(1S)-1-aminopentyl]-L-ornithine
    28361 LN8 0 C6 H14 Cl2 N2 Pt InChI=1S/C6H14N2.2ClH.Pt/
    c7-5-1-2-6(8)4-3-5;;;/h5-
    6H,1-4,7-8H2;2*1H;/q;;;+4
    /p-2/t5-,6+;;;;
    CPGREGRXVKABHL-UOXVPMNTSA-L    		 C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl; NC1C
    CC(N)CC1.Cl[Pt]Cl    		 Kiteplatin
    28362 LN9
    CHEMBL245067
    DB16771
    ZINC000003875408    		 1 C21 H24 O10 InChI=1S/C21H24O10/c22-9-
    16-18(27)19(28)20(29)21(3
    1-16)30-15-8-12(24)7-14(2
    6)17(15)13(25)6-3-10-1-4-
    11(23)5-2-10/h1-2,4-5,7-8
    ,16,18-24,26-29H,3,6,9H2/
    t16-,18-,19+,20-,21-/m1/s
    1;
    IOUVKUPGCMBWBT-QNDFHXLGSA-N    		 c1cc(ccc1CCC(=O)c2c(cc(cc2OC3C(C(C(C(O3)
    CO)O)O)O)O)O)O; OC[CH]1O[CH](Oc2cc(O)cc(
    O)c2C(=O)CCc3ccc(O)cc3)[CH](O)[CH](O)[CH
    ]1O; c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C
    @@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)
    O; OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)C
    Cc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O    		 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one;
    Phlorizin
    28363 LNA
    ZINC000004654921    		 2 C18 H31 N O4 InChI=1S/C18H31NO4/c1-2-3
    -4-5-8-11-14-17(19(22)23)
    15-12-9-6-7-10-13-16-18(2
    0)21/h8,11,15H,2-7,9-10,1
    2-14,16H2,1H3,(H,20,21)/b
    11-8-,17-15+;
    LELVHAQTWXTCLY-XYWKCAQWSA-N    		 CCCCC\C=C/CC(=C/CCCCCCCC(O)=O)\[N+]([O-]
    )=O; CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+
    ](=O)[O-]; CCCCCC=CCC(=CCCCCCCCC(=O)O)[N
    +](=O)[O-]; CCCCCC=CCC(=CCCCCCCCC(O)=O)[
    N+]([O-])=O; [O-][N+](=O)/C(=C/CCCCCCCC(
    =O)O)C\C=C/CCCCC    		 (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid
    28364 LNB
    CHEMBL554608    		 2 C18 H31 N O4 InChI=1S/C18H31NO4/c1-2-3
    -4-11-14-17(19(22)23)15-1
    2-9-7-5-6-8-10-13-16-18(2
    0)21/h9,12,14H,2-8,10-11,
    13,15-16H2,1H3,(H,20,21)/
    b12-9-,17-14+;
    ZYFTUIURWQWFKQ-QIAGQCQHSA-N    		 O=C(O)CCCCCCC/C=C\CC(=C/CCCCC)\[N+]([O-]
    )=O; CCCCCC=C(CC=CCCCCCCCC(=O)O)[N+](=O)
    [O-]; CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N
    +](=O)[O-]; CCCCC\C=C(/C\C=C/CCCCCCCC(O)
    =O)[N+]([O-])=O; CCCCCC=C(CC=CCCCCCCCC(O
    )=O)[N+]([O-])=O    		 (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid
    28365 LNC 2 C25 H33 N7 O17 P2 InChI=1S/C25H33N7O17P2/c2
    6-20-15-22(29-8-28-20)32(
    9-30-15)24-19(37)17(35)14
    (48-24)7-46-51(43,44)49-5
    0(41,42)45-6-13-16(34)18(
    36)23(47-13)31-4-10(1-2-1
    2(33)25(39)40)3-11(5-31)2
    1(27)38/h3-5,8-9,12-14,16
    -19,23-24,33-37H,1-2,6-7H
    2,(H6-,26,27,28,29,38,39,
    40,41,42,43,44)/t12-,13+,
    14+,16+,17+,18+,19+,23+,2
    4+/m0/s1;
    PLMTVPOYALSQOL-AMUFZZJCSA-N    		 c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H](
    [C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[
    C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc
    5N)O)O)O)O)CC[C@@H](C(=O)O)O; NC(=O)c1cc
    (CC[C@H](O)C(O)=O)c[n+](c1)[C@@H]2O[C@H]
    (CO[P@@](O)(=O)O[P]([O-])(=O)OC[C@H]3O[C
    @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C
    @@H](O)[C@H]2O; c1c(c[n+](cc1C(=O)N)C2C(
    C(C(O2)COP(=O)(O)OP(=O)([O-])OCC3C(C(C(O
    3)n4cnc5c4ncnc5N)O)O)O)O)CCC(C(=O)O)O; N
    C(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2
    O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O
    [CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH]
    (O)[CH]2O    		 (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE;
    S-LAC-NAD+
    28366 LND
    CHEMBL3139900
    ZINC000103254401    		 10 C13 H16 N5 O2 InChI=1S/C13H15N5O2/c14-1
    3(19)11-2-7-17(8-3-11)5-1
    -6-18-9-4-15-12(18)10-16-
    20/h2-4,7-10H,1,5-6H2,(H2
    -,14,15,19,20)/p+1;
    AEYBMKVDFNSVJO-UHFFFAOYSA-O    		 c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O; c1[
    n+](ccc(c1)C(N)=O)CCCn2c(ncc2)\C=N\O; NC
    (=O)c1cc[n+](CCCn2ccnc2C=NO)cc1; c1c[n+]
    (ccc1C(=O)N)CCCn2ccnc2C=NO; NC(=O)c1cc[n
    +](CCCn2ccnc2\C=N\O)cc1    		 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium
    28367 LNE
    ZINC000019426329    		 0 C8 H18 N2 O InChI=1S/C8H18N2O/c1-4-10
    -8(11)7(9)5-6(2)3/h6-7H,4
    -5,9H2,1-3H3,(H,10,11)/t7
    -/m0/s1;
    ODAKRYUDLXZGCT-ZETCQYMHSA-N    		 CCNC(=O)[C@H](CC(C)C)N; CCNC(=O)C(CC(C)C
    )N; CCNC(=O)[C@@H](N)CC(C)C; CCNC(=O)[CH
    ](N)CC(C)C; O=C(NCC)C(N)CC(C)C    		 N-ethyl-L-leucinamide
    28368 LNF 0 C32 H38 N4 O InChI=1S/C32H36N4O/c1-6-3
    6(7-2)20-10-19-33-32(37)2
    4-17-15-23(16-18-24)27-25
    -13-9-12-22(4)30(25)35(5)
    31-26-14-8-11-21(3)28(26)
    34-29(27)31/h8-9,11-18H,6
    -7,10,19-20H2,1-5H3,(H,33
    ,37)/p+2;
    WLKGFBFIAFQINR-UHFFFAOYSA-P    		 CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c
    3[n+](c4c2[nH]c5c4cccc5C)C)C; CC[NH+](CC
    )CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c
    3[n+](C)c5c(C)cccc25    		 diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium;
    4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium
    28369 LNG
    ZINC000098209123    		 0 C14 H26 O2 InChI=1S/C14H26O2/c1-13(2
    )11-9-7-5-3-4-6-8-10-12-1
    4(15)16/h8,10,13H,3-7,9,1
    1-12H2,1-2H3,(H,15,16)/b1
    0-8-;
    CPJZLQGGCFWOAA-NTMALXAHSA-N    		 CC(C)CCCCCCCC=CCC(=O)O; CC(C)CCCCCCCC=CC
    C(O)=O; O=C(O)C\C=C/CCCCCCCC(C)C; CC(C)C
    CCCCCC/C=C\CC(=O)O; CC(C)CCCCCCC\C=C/CC(
    O)=O    		 Delta-3isotetradecenoic acid
    28370 LNH
    CHEMBL2062585
    ZINC000084652413    		 1 C23 H21 N7 O3 InChI=1S/C23H21N7O3/c1-13
    (31)26-16-4-5-20-17(8-16)
    18(12-29(20)7-6-22(32)33)
    19-9-21(27-15-2-3-15)30-2
    3(28-19)14(10-24)11-25-30
    /h4-5,8-9,11-12,15,27H,2-
    3,6-7H2,1H3,(H,26,31)(H,3
    2,33);
    FXZDYVDTIVZZCX-UHFFFAOYSA-N    		 O=C(O)CCn5c1ccc(NC(=O)C)cc1c(c2nc4c(C#N)
    cnn4c(c2)NC3CC3)c5; CC(=O)Nc1ccc2c(c1)c(
    cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5
    ; CC(=O)Nc1ccc2n(CCC(O)=O)cc(c3cc(NC4CC4
    )n5ncc(C#N)c5n3)c2c1    		 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid
    28371 LNI 4 C5 H11 O3 S InChI=1S/C5H10O3S/c1-9(2,
    8)4-3-5(6)7/h3-4H2,1-2H3/
    p+1;
    LEKODCUQHSSNES-UHFFFAOYSA-O    		 C[S+](=O)(C)CCC(=O)O; C[S+](C)(=O)CCC(O)
    =O    		 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid;
    Dimethylsulfoxonium propionate
    28372 LNJ
    CHEMBL4476527    		 3 C17 H16 N2 O S InChI=1S/C17H16N2OS/c1-20
    -15-8-4-13(5-9-15)10-12-2
    -6-14(7-3-12)16-11-21-17(
    18)19-16/h2-9,11H,10H2,1H
    3,(H2,18,19);
    GGCCOFFVKJCRKJ-UHFFFAOYSA-N    		 c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC; COc1c
    cc(Cc2ccc(cc2)c3csc(N)n3)cc1; COc1ccc(cc
    1)Cc2ccc(cc2)c3csc(n3)N    		 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
    28373 LNK
    CHEMBL16102
    ZINC000001698513    		 2 C5 H12 InChI=1S/C5H12/c1-3-5-4-2
    /h3-5H2,1-2H3;
    OFBQJSOFQDEBGM-UHFFFAOYSA-N    		 CCCCC PENTANE
    28374 LNL
    CHEMBL8739
    DB00132
    ZINC000003802189    		 13 C18 H30 O2 InChI=1S/C18H30O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18(19)20/h3-4,
    6-7,9-10H,2,5,8,11-17H2,1
    H3,(H,19,20)/b4-3-,7-6-,1
    0-9-;
    DTOSIQBPPRVQHS-PDBXOOCHSA-N    		 O=C(O)CCCCCCC\C=C/C\C=C/C\C=C/CC; CCC=CC
    C=CCC=CCCCCCCCC(O)=O; CC\C=C/C/C=C\C\C=C
    /CCCCCCCC(O)=O; CCC=CCC=CC\C=C/CCCCCCCC(
    =O)O; CCC=CCC=CCC=CCCCCCCCC(=O)O    		 ALPHA-LINOLENIC ACID
    28375 LNM
    ZINC000019509929    		 0 C7 H16 N2 O InChI=1S/C7H16N2O/c1-5(2)
    4-6(8)7(10)9-3/h5-6H,4,8H
    2,1-3H3,(H,9,10)/t6-/m0/s
    1;
    LIBDTAYIDBPBRN-LURJTMIESA-N    		 CC(C)CC(C(=O)NC)N; CNC(=O)[CH](N)CC(C)C;
    CNC(=O)[C@@H](N)CC(C)C; O=C(NC)C(N)CC(C
    )C; CC(C)C[C@@H](C(=O)NC)N    		 N-methyl-L-leucinamide
    28376 LNN
    CHEMBL3809271
    ZINC000062720064    		 1 C14 H12 O3 InChI=1S/C14H12O3/c15-13-
    7-6-10(9-14(16)17)8-12(13
    )11-4-2-1-3-5-11/h1-8,15H
    ,9H2,(H,16,17);
    QSTRNCHHKMCZKJ-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(O)c(c1)c2ccccc2; c1ccc(cc1)
    c2cc(ccc2O)CC(=O)O; c1(ccc(CC(O)=O)cc1c2
    ccccc2)O    		 (6-hydroxybiphenyl-3-yl)acetic acid
    28377 LNO
    CHEMBL303296
    DB03308
    ZINC000002522572    		 1 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c1-4(2
    )3-5(7)6(9)8-10/h4-5,10H,
    3,7H2,1-2H3,(H,8,9)/t5-/m
    0/s1;
    UJJHPFLWSVFLBE-YFKPBYRVSA-N    		 CC(C)C[CH](N)C(=O)NO; CC(C)CC(C(=O)NO)N;
    CC(C)C[C@@H](C(=O)NO)N; O=C(NO)C(N)CC(C
    )C; CC(C)C[C@H](N)C(=O)NO    		 L-LEUCYL-HYDROXYLAMINE
    28378 LNP
    ZINC000095920578    		 4 C33 H54 O InChI=1S/C33H54O/c1-22(2)
    9-8-10-23(3)25-16-20-33(2
    1-24-11-12-24)27-13-14-28
    -30(4,5)29(34)17-18-31(28
    ,6)26(27)15-19-32(25,33)7
    /h13,21-23,25-26,28-29,34
    H,8-12,14-20H2,1-7H3/t23-
    ,25-,26-,28-,29+,31-,32-,
    33-/m1/s1;
    JMJLBCGVSMHFQK-SIDBGHOXSA-N    		 CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(
    C4(C)C)O)C)C)C=C5CC5; OC5C(C1C(C3C(=CC1)
    C4(\C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4
    )(C)CC5)(C)C; CC(C)CCC[CH](C)[CH]1CC[C]2
    (C=C3CC3)C4=CC[CH]5C(C)(C)[CH](O)CC[C]5(
    C)[CH]4CC[C]12C; CC(C)CCC[C@@H](C)[C@H]1
    CC[C@@]2(C=C3CC3)C4=CC[C@@H]5C(C)(C)[C@@
    H](O)CC[C@]5(C)[C@@H]4CC[C@]12C; C[C@H](
    CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3
    C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)
    C=C5CC5    		 (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
    28379 LNQ
    DB03077
    ZINC000100032834    		 3 C14 H24 N2 O5 InChI=1S/C14H24N2O5/c1-2-
    5-19-7-9-21-10-8-20-6-3-4
    -16-12-11(15)13(17)14(12)
    18/h16H,2-10,15H2,1H3;
    ZUVPNXOKAPTNLU-UHFFFAOYSA-N    		 CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O; CCCOCCOC
    COCCCNC1=C(C(=O)C1=O)N; O=C1C(N)=C(NCCCO
    CCOCCOCCC)C1=O    		 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE
    28380 LNR
    CHEMBL1437
    DB00368
    ZINC000000057624    		 15 C8 H11 N O3 InChI=1S/C8H11NO3/c9-4-8(
    12)5-1-2-6(10)7(11)3-5/h1
    -3,8,10-12H,4,9H2/t8-/m0/
    s1;
    SFLSHLFXELFNJZ-QMMMGPOBSA-N    		 c1cc(c(cc1[C@H](CN)O)O)O; NC[CH](O)c1ccc
    (O)c(O)c1; c1cc(c(cc1C(CN)O)O)O; Oc1ccc(
    cc1O)C(O)CN; NC[C@H](O)c1ccc(O)c(O)c1    		 L-NOREPINEPHRINE;
    NORADRENALINE
    28381 LNS
    ZINC000036756677    		 1 C8 H8 N2 O3 InChI=1S/C8H8N2O3/c1-9-7(
    11)5-3-2-4-6(10-5)8(12)13
    /h2-4H,1H3,(H,9,11)(H,12,
    13);
    NPBRDFPBRHOBAK-UHFFFAOYSA-N    		 CNC(=O)c1cccc(n1)C(O)=O; CNC(=O)c1cccc(n
    1)C(=O)O; OC(=O)c1cccc(n1)C(=O)NC    		 6-(methylcarbamoyl)pyridine-2-carboxylic acid
    28382 LNT
    ZINC000058649584    		 0 C10 H22 N2 O5 InChI=1S/C10H22N2O5/c1-5(
    2)4-7(11)10(16,17)12-8(6(
    3)13)9(14)15/h5-8,12-13,1
    6-17H,4,11H2,1-3H3,(H,14,
    15)/t6-,7+,8+/m1/s1;
    JUVAHRIWFDXYGV-CSMHCCOUSA-N    		 CC(C)C[C@H](N)C(O)(O)N[C@@H]([C@@H](C)O)
    C(O)=O; C[C@H]([C@@H](C(=O)O)NC([C@H](CC
    (C)C)N)(O)O)O; O=C(O)C(NC(O)(O)C(N)CC(C)
    C)C(O)C; CC(C)C[CH](N)C(O)(O)N[CH]([CH](
    C)O)C(O)=O; CC(C)CC(C(NC(C(C)O)C(=O)O)(O
    )O)N    		 N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
    28383 LNU
    CHEMBL4747905    		 2 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c1-4-
    28-22(25)19-10-15-6-5-7-1
    6-12-23-29-21(16)20(15)24
    (19)13-14-8-17(26-2)11-18
    (9-14)27-3/h8-12H,4-7,13H
    2,1-3H3;
    YNGBQIFIRITUMH-UHFFFAOYSA-N    		 CCOC(=O)c1cc2c(n1Cc3cc(cc(c3)OC)OC)-c4c(
    cno4)CCC2; CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc
    4cc(OC)cc(OC)c4    		 ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate
    28384 LNV
    CHEMBL466246
    DB12791
    ZINC000003985629    		 13 C13 H22 N4 O7 InChI=1S/C13H22N4O7/c1-5(
    19)16-9-6(17-13(14)15)3-8
    (12(21)22)24-11(9)10(23-2
    )7(20)4-18/h3,6-7,9-11,18
    ,20H,4H2,1-2H3,(H,16,19)(
    H,21,22)(H4,14,15,17)/t6-
    ,7+,9+,10+,11+/m0/s1;
    QNRRHYPPQFELSF-CNYIRLTGSA-N    		 CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC(
    =N)N; O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)
    C(C=1)NC(=[N@H])N; CO[CH]([CH](O)CO)[CH]
    1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;
    [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(
    =O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O; CO[C@
    H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)
    [C@H]1NC(C)=O)C(O)=O    		 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;
    5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;
    Laninamivir
    28385 LNW
    CHEMBL3808465
    ZINC000584905621    		 2 C16 H14 O4 InChI=1S/C16H14O4/c17-15(
    18)9-11-6-12(10-16(19)20)
    8-14(7-11)13-4-2-1-3-5-13
    /h1-8H,9-10H2,(H,17,18)(H
    ,19,20);
    VAGQJIBPPQRDCK-UHFFFAOYSA-N    		 OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2; c1cc
    c(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O; C(C(O)
    =O)c1cc(CC(=O)O)cc(c1)c2ccccc2    		 2,2'-biphenyl-3,5-diyldiacetic acid
    28386 LNX
    CHEMBL3809104
    ZINC000584905618    		 2 C14 H12 O4 S InChI=1S/C14H12O4S/c15-13
    (16)7-9-4-10(8-14(17)18)6
    -11(5-9)12-2-1-3-19-12/h1
    -6H,7-8H2,(H,15,16)(H,17,
    18);
    KZPRFEGRESQBAV-UHFFFAOYSA-N    		 c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O; OC(
    =O)Cc1cc(CC(O)=O)cc(c1)c2sccc2; C(C(O)=O
    )c1cc(cc(c1)c2cccs2)CC(=O)O    		 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
    28387 LNY
    CHEMBL3810161
    ZINC000584905616    		 1 C17 H14 O5 S InChI=1S/C17H14O5S/c18-5-
    1-2-14-3-4-15(23-14)13-7-
    11(9-16(19)20)6-12(8-13)1
    0-17(21)22/h3-4,6-8,18H,5
    ,9-10H2,(H,19,20)(H,21,22
    );
    GUHLJLFVRKYNRL-UHFFFAOYSA-N    		 OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2
    ; c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O
    )O; C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)C
    C(O)=O    		 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
    28388 LNZ
    CHEMBL3808396
    ZINC000584905612    		 1 C17 H17 N O5 S2 InChI=1S/C17H17NO5S2/c1-1
    1-9-15(23-2)14(10-13(11)1
    7(20)18-25(3,21)22)16-7-6
    -12(24-16)5-4-8-19/h6-7,9
    -10,19H,8H2,1-3H3,(H,18,2
    0);
    BQEHLOAHCIMXML-UHFFFAOYSA-N    		 Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#C
    CO)OC; c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2c
    cc(s2)C#CCO)OC; COc1cc(C)c(cc1c2sc(cc2)C
    #CCO)C(=O)N[S](C)(=O)=O    		 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide
    28389 LO0 1 C15 H16 N2 O4 InChI=1S/C15H16N2O4/c1-20
    -12-4-2-3-5-13(12)21-9-8-
    17-15(19)11-6-7-16-14(18)
    10-11/h2-7H,8-10H2,1H3,(H
    ,17,19);
    NGQXLOHCACFSJS-UHFFFAOYSA-N    		 COc1ccccc1OCCNC(=O)C2=CC=NC(=O)C2; O=C(N
    CCOc1ccccc1OC)C1=CC=NC(=O)C1    		 N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide
    28390 LO1
    CHEMBL426815
    DB02420    		 1 C9 H10 N2 O3 InChI=1S/C9H10N2O3/c10-5-
    6-1-3-7(4-2-6)11-8(12)9(1
    3)14/h1-4H,5,10H2,(H,11,1
    2)(H,13,14);
    RKILOCCSAVHHJT-UHFFFAOYSA-N    		 NCc1ccc(NC(=O)C(O)=O)cc1; O=C(Nc1ccc(cc1
    )CN)C(=O)O; c1cc(ccc1CN)NC(=O)C(=O)O    		 [[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,
    28391 LO2
    CHEMBL493033
    ZINC000013982505    		 2 C22 H24 Cl F6 N O3 InChI=1S/C22H24ClF6NO3/c1
    -4-5-10-30(13-14-11-17(23
    )19(33-3)18(12-14)32-2)16
    -8-6-15(7-9-16)20(31,21(2
    4,25)26)22(27,28)29/h6-9,
    11-12,31H,4-5,10,13H2,1-3
    H3;
    QKFWYOZIIUVZRC-UHFFFAOYSA-N    		 CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2
    )C(C(F)(F)F)(C(F)(F)F)O; CCCCN(Cc1cc(Cl)
    c(OC)c(OC)c1)c2ccc(cc2)C(O)(C(F)(F)F)C(F
    )(F)F; CCCCN(Cc1cc(c(c(c1)Cl)OC)OC)c2ccc
    (cc2)C(C(F)(F)F)(C(F)(F)F)O; Clc1cc(cc(O
    C)c1OC)CN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F
    )F)CCCC    		 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol;
    2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol
    28392 LO3
    ZINC000098209124    		 4 C42 H70 O12 InChI=1S/C42H70O12/c1-25-
    14-17-39(44)54-41(29(5)40
    (45)26(2)15-16-32-20-33(4
    6-6)19-27(3)52-32)28(4)35
    (47-7)23-38(50-10)42(24-5
    1-42)37(49-9)22-31-13-11-
    12-30(53-31)21-36(48-8)34
    (43)18-25/h11-12,14,17-18
    ,26-38,40-41,43,45H,13,15
    -16,19-24H2,1-10H3/b17-14
    +,25-18+/t26-,27-,28-,29-
    ,30-,31-,32-,33+,34+,35+,
    36+,37-,38-,40-,41-,42-/m
    0/s1;
    YPLVKLZVFQFTLN-NNZJXHHNSA-N    		 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H
    ](O)[C@H](C)[C@H]2OC(=O)\C=C\C(=C\[C@@H]
    (O)[C@@H](C[C@H]3O[C@@H](CC=C3)C[C@H](OC
    )[C@@]4(CO4)[C@H](C[C@@H](OC)[C@@H]2C)OC
    )OC)C)C1; C[C@H]1C[C@H](C[C@@H](O1)CC[C@
    H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](
    C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H
    ](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)
    O)OC)OC)OC)OC)C)O)OC; CO[CH]1C[CH](C)O[C
    H](CC[CH](C)[CH](O)[CH](C)[CH]2OC(=O)C=C
    C(=C[CH](O)[CH](C[CH]3O[CH](CC=C3)C[CH](
    OC)[C]4(CO4)[CH](C[CH](OC)[CH]2C)OC)OC)C
    )C1; CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(C3
    (CO3)C(CC4CC=CC(O4)CC(C(C=C(C=CC(=O)O2)C
    )O)OC)OC)OC)OC)C)O)OC; O=C3OC(C(C)C(OC)C
    C(OC)C1(OC1)C(OC)CC2OC(C=CC2)CC(OC)C(O)C
    =C(C=C3)C)C(C)C(O)C(CCC4OC(CC(OC)C4)C)C    		 (1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one
    28393 LO4 1 C18 H23 N O3 S InChI=1S/C18H23NO3S/c1-18
    (9-3-2-4-10-18)12-22-14-7
    -5-13(6-8-14)11-15-16(20)
    19-17(21)23-15/h5-8,23H,2
    -4,9-12H2,1H3,(H,19,20,21
    );
    VYHNBSGGAFFFLO-UHFFFAOYSA-N    		 CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O;
    c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3
    )=O; CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3
    =O)cc2    		 Ciglitazone;
    5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione
    28394 LO5
    ZINC000000299710    		 3 C13 H17 N O3 InChI=1S/C13H17NO3/c1-2-1
    1(15-5-1)8-14-7-10-3-4-12
    -13(6-10)17-9-16-12/h3-4,
    6,11,14H,1-2,5,7-9H2/t11-
    /m1/s1;
    GSKKKMLEVJZIAD-LLVKDONJSA-N    		 C1CO[CH](C1)CNCc2ccc3OCOc3c2; c1cc2c(cc1
    CNCC3CCCO3)OCO2; c1cc2c(cc1CNC[C@H]3CCCO
    3)OCO2; C1CO[C@H](C1)CNCc2ccc3OCOc3c2    		 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
    28395 LO6
    ZINC000334254755    		 1 C9 H15 F2 N O3 InChI=1S/C9H15F2NO3/c1-6-
    3-12(4-7(2)15-6)8(13)5-14
    -9(10)11/h6-7,9H,3-5H2,1-
    2H3/t6-,7+;
    KVTKFHLTYQIGCM-KNVOCYPGSA-N    		 CC1CN(CC(O1)C)C(=O)COC(F)F; C[CH]1CN(C[C
    H](C)O1)C(=O)COC(F)F; O=C(COC(F)F)N1CC(C
    )OC(C)C1; C[C@@H]1CN(C[C@@H](O1)C)C(=O)C
    OC(F)F; C[C@@H]1CN(C[C@H](C)O1)C(=O)COC(
    F)F    		 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
    28396 LO7
    ZINC000001482950    		 1 C19 H18 N2 O4 S InChI=1S/C19H18N2O4S/c1-2
    -12-5-8-15(20-10-12)16(22
    )11-25-14-6-3-13(4-7-14)9
    -17-18(23)21-19(24)26-17/
    h3-8,10,17H,2,9,11H2,1H3,
    (H,21,23,24)/t17-/m0/s1;
    IRNJSRAGRIZIHD-KRWDZBQOSA-N    		 CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3
    =O)cc2; CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C
    @H]3C(=O)NC(=O)S3; CCc1ccc(nc1)C(=O)COc2
    ccc(C[C@@H]3SC(=O)NC3=O)cc2; c2(OCC(c1cc
    c(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O; CCc1
    ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S
    3    		 Mitoglitazone;
    (5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
    28397 LO8 1 C16 H23 N3 O2 InChI=1S/C16H23N3O2/c1-16
    (12-19(8-7-18-16)14-10-21
    -11-14)15(20)17-9-13-5-3-
    2-4-6-13/h2-6,14,18H,7-12
    H2,1H3,(H,17,20)/t16-/m0/
    s1;
    IRKRQLZUELHGGZ-INIZCTEOSA-N    		 CC1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3; C[C]
    1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3; C[C@]1
    (CN(CCN1)C2COC2)C(=O)NCc3ccccc3    		 (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide
    28398 LO9 4 C18 H16 N2 O3 InChI=1S/C18H16N2O3/c1-21
    -15-5-12(6-16(7-15)22-2)9
    -20-10-14-4-3-13-8-19-23-
    18(13)17(14)11-20/h3-8,10
    -11H,9H2,1-2H3;
    GVTUEXALHVXNOH-UHFFFAOYSA-N    		 COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1; COc
    1cc(cc(c1)OC)Cn2cc3ccc4cnoc4c3c2    		 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole
    28399 LOA
    CHEMBL272041
    ZINC000028536877    		 1 C26 H42 O4 InChI=1S/C26H42O4/c1-16(5
    -10-24(28)29)21-8-9-22-20
    -7-6-18-15-19(30-17(2)27)
    11-13-25(18,3)23(20)12-14
    -26(21,22)4/h16,18-23H,5-
    15H2,1-4H3,(H,28,29)/t16-
    ,18-,19-,20+,21-,22+,23+,
    25+,26-/m1/s1;
    FCQRLHQHKFKTQE-HCTDMSSWSA-N    		 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC
    [C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC
    (=O)C)C)C; C[C@H](CCC(O)=O)[C@H]1CC[C@H]
    2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]
    3CC[C@]12C)OC(C)=O; CC(CCC(=O)O)C1CCC2C1
    (CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C; C[CH](
    CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](C
    C[C]4(C)[CH]3CC[C]12C)OC(C)=O; O=C(O)CCC
    (C4C3(C(C2C(C1(CCC(OC(=O)C)CC1CC2)C)CC3)
    CC4)C)C    		 (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid;
    Lithocholic acid acetate
    28400 LOB
    ZINC000000156931    		 20 C22 H27 N O2 InChI=1S/C22H27NO2/c1-23-
    19(15-21(24)17-9-4-2-5-10
    -17)13-8-14-20(23)16-22(2
    5)18-11-6-3-7-12-18/h2-7,
    9-12,19-21,24H,8,13-16H2,
    1H3/t19-,20+,21-/m1/s1;
    MXYUKLILVYORSK-QHAWAJNXSA-N    		 C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C
    @H](c3ccccc3)O; O=C(c1ccccc1)CC3N(C)C(CC
    (O)c2ccccc2)CCC3; CN1[C@H](CCC[C@H]1CC(=
    O)c2ccccc2)C[C@@H](O)c3ccccc3; CN1C(CCCC
    1CC(=O)c2ccccc2)CC(c3ccccc3)O; CN1[CH](C
    CC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3    		 LOBELINE;
    2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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