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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    19801 BJ2
    CHEMBL4068536    		 11 C18 H28 N4 O8 InChI=1S/C18H28N4O8/c1-9(
    15(25)22-7-3-5-12(22)17(2
    7)28)20-14(18(29)30)11-4-
    2-6-21(11)16(26)10(19)8-1
    3(23)24/h9-12,14,20H,2-8,
    19H2,1H3,(H,23,24)(H,27,2
    8)(H,29,30)/t9-,10-,11-,1
    2-,14-/m0/s1;
    AEFOOLCGQAWEBH-JNLQPACOSA-N    		 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([
    C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O;
    C[C@H](N[C@@H]([C@@H]1CCCN1C(=O)[C@@H](N
    )CC(O)=O)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O;
    CC(C(=O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)C(C
    C(=O)O)N)C(=O)O; C[CH](N[CH]([CH]1CCCN1C
    (=O)[CH](N)CC(O)=O)C(O)=O)C(=O)N2CCC[CH]
    2C(O)=O    		 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    19802 BJ3 2 C62 H84 N11 O9 P S InChI=1S/C62H84N11O9PS/c6
    3-61(64)66-36-20-34-56(83
    (80,81-45-25-10-3-11-26-4
    5)82-46-27-12-4-13-28-46)
    72-60(78)51(39-44-40-67-4
    8-30-16-15-29-47(44)48)70
    -59(77)50(38-43-23-8-2-9-
    24-43)69-58(76)49(37-42-2
    1-6-1-7-22-42)68-55(75)33
    -14-5-19-35-65-54(74)32-1
    8-17-31-53-57-52(41-84-53
    )71-62(79)73-57/h1,3-4,6-
    7,10-13,15-16,21-22,25-30
    ,43-44,49-53,56-57,67H,2,
    5,8-9,14,17-20,23-24,31-4
    1H2,(H,65,74)(H,68,75)(H,
    69,76)(H,70,77)(H,72,78)(
    H4,63,64,66)(H2,71,73,79)
    /t44-,49-,50+,51+,52?,53?
    ,56-,57?/m1/s1;
    LQPBNVJSYRBAJH-ADPDYCRISA-N    		 NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2cccc
    c12)NC(=O)[CH](CC3CCCCC3)NC(=O)[CH](Cc4c
    cccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)N
    C56)[P](=O)(Oc7ccccc7)Oc8ccccc8; NC(=N)N
    CCC[C@H](NC(=O)[C@H](C[C@@H]1CNc2ccccc12
    )NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@@H](Cc4c
    cccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)N
    C56)[P](=O)(Oc7ccccc7)Oc8ccccc8; c1ccc(c
    c1)CC(C(=O)NC(CC2CCCCC2)C(=O)NC(CC3CNc4c
    3cccc4)C(=O)NC(CCCNC(=N)N)P(=O)(Oc5ccccc
    5)Oc6ccccc6)NC(=O)CCCCCNC(=O)CCCCC7C8C(C
    S7)NC(=O)N8; [H]/N=C(\N)/NCCC[C@H](NC(=O
    )[C@H](C[C@@H]1CNc2c1cccc2)NC(=O)[C@H](C
    C3CCCCC3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)CC
    CCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)P(=O)(Oc
    7ccccc7)Oc8ccccc8    		 ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-[(4~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide
    19803 BJ4
    CHEMBL3827329
    ZINC000039343284    		 2 C16 H14 N2 O2 InChI=1S/C16H14N2O2/c1-10
    -6-8-11(9-7-10)15-17-14-1
    2(16(19)18-15)4-3-5-13(14
    )20-2/h3-9H,1-2H3,(H,17,1
    8,19);
    JKCKQJATUNERKN-UHFFFAOYSA-N    		 Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2; COc1
    cccc2C(=O)NC(=Nc12)c3ccc(C)cc3    		 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
    19804 BJ5 1 C25 H45 Fe N6 O8 InChI=1S/C25H45N6O8.Fe/c1
    -21(32)29(37)18-9-3-6-16-
    27-22(33)12-14-25(36)31(3
    9)20-10-4-7-17-28-23(34)1
    1-13-24(35)30(38)19-8-2-5
    -15-26;/h2-20,26H2,1H3,(H
    ,27,33)(H,28,34);/q-3;+3;
    SRMBQCVUAVULDJ-UHFFFAOYSA-N    		 CC(=O)[N@]1CCCCCNC(=O)CCC(=O)[N@@]2CCCCC
    NC(=O)CCC(=O)N(CCCCCN)O[Fe](O1)O2; CC1=O
    [Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCC
    NC(=O)CCC(=O4)N(O5)CCCCCN; CC(=O)[N]1CCC
    CCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(C
    CCCCN)O[Fe](O1)O2    		 desferrioxamine B
    19805 BJ6
    CHEMBL1071
    DB00991
    ZINC000049643479    		 2 C18 H15 N O3 InChI=1S/C18H15NO3/c20-16
    (21)12-11-15-19-17(13-7-3
    -1-4-8-13)18(22-15)14-9-5
    -2-6-10-14/h1-10H,11-12H2
    ,(H,20,21);
    OFPXSFXSNFPTHF-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3ccccc3; O
    C(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3    		 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
    19806 BJ8 19 Fe8 S9 InChI=1S/8Fe.9S;
    CSVVAMDLRWBOEA-UHFFFAOYSA-N    		 S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[
    Fe]4S[Fe]S4; S([Fe]12[S]3[Fe]4[S]1[Fe]5[
    S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S
    ]9[Fe]8[S]71    		 Double cubane cluster
    19807 BJ9
    CHEMBL2424872
    ZINC000027729171    		 2 C17 H23 N5 O14 InChI=1S/C17H23N5O14/c18-
    5(7(24)4(23)2-35-16(19)33
    )12(28)20-6(15(31)32)10-8
    (25)9(26)13(36-10)22-1-3(
    14(29)30)11(27)21-17(22)3
    4/h1,4-10,13,23-26H,2,18H
    2,(H2,19,33)(H,20,28)(H,2
    9,30)(H,31,32)(H,21,27,34
    )/t4-,5-,6-,7+,8-,9+,10+,
    13+/m0/s1;
    JPFWJDMDPLEUBD-ITJAGOAWSA-N    		 C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C
    @H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](
    [C@H](COC(=O)N)O)O)N)O)O)C(=O)O; N[CH]([
    CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[
    CH]([CH](O)[CH]1O)N2C=C(C(O)=O)C(=O)NC2=
    O)C(O)=O; NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1
    OC(N2C=C(C(=O)NC2=O)C(=O)O)C(O)C1O)C(=O)
    O; C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O
    )NC(=O)C(C(C(COC(=O)N)O)O)N)O)O)C(=O)O;
    N[C@@H]([C@H](O)[C@@H](O)COC(N)=O)C(=O)N
    [C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C
    =C(C(O)=O)C(=O)NC2=O)C(O)=O    		 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name);
    Polyoxin d
    19808 BJA
    CHEMBL1229259
    ZINC000058548617    		 1 C26 H36 N8 O4 S InChI=1S/C26H36N8O4S/c27-
    23(28)20-12-10-18(11-13-2
    0)16-32-24(35)22-9-5-15-3
    4(22)25(36)21(8-4-14-31-2
    6(29)30)33-39(37,38)17-19
    -6-2-1-3-7-19/h1-3,6-7,10
    -13,21-22,33H,4-5,8-9,14-
    17H2,(H3,27,28)(H,32,35)(
    H4,29,30,31)/t21-,22+/m1/
    s1;
    QKFCYPKTTJCUSZ-YADHBBJMSA-N    		 c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)N
    2CCCC2C(=O)NCc3ccc(cc3)C(=N)N; O=C(NCc1c
    cc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O)C
    c2ccccc2)CCCNC(=[N@H])N)CCC3; NC(=N)NCCC
    [C@@H](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[
    C@H]2C(=O)NCc3ccc(cc3)C(N)=N; [H]/N=C(/c
    1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](
    CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N;
    NC(=N)NCCC[CH](N[S](=O)(=O)Cc1ccccc1)C(
    =O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N    		 (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
    19809 BJB
    CHEMBL4091374
    DB14801    		 5 C19 H15 Cl N2 O4 S2 InChI=1S/C19H15ClN2O4S2/c
    20-13-4-7-17-12(8-13)9-14
    (2-1-3-19(23)24)22(17)28(
    25,26)15-5-6-16-18(10-15)
    27-11-21-16/h4-11H,1-3H2,
    (H,23,24);
    OQDQIFQRNZIEEJ-UHFFFAOYSA-N    		 OC(=O)CCCc1cc2cc(Cl)ccc2n1[S](=O)(=O)c3c
    cc4ncsc4c3; c1cc2c(cc1S(=O)(=O)n3c4ccc(c
    c4cc3CCCC(=O)O)Cl)scn2    		 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid
    19810 BJC
    ZINC000044460281    		 3 C35 H51 N3 O3 InChI=1S/C35H51N3O3/c1-25
    (2)28-15-10-14-27(20-28)2
    3-36-24-32(39)31(21-26-12
    -6-5-7-13-26)37-34(41)29-
    16-11-17-30(22-29)35(3,4)
    38-19-9-8-18-33(38)40/h5-
    7,10,12-15,20,25,29-32,36
    ,39H,8-9,11,16-19,21-24H2
    ,1-4H3,(H,37,41)/t29-,30+
    ,31+,32-/m1/s1;
    MFPZDLDVZIAMTN-OKDNLZPVSA-N    		 CC(C)c1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(
    =O)[CH]3CCC[CH](C3)C(C)(C)N4CCCCC4=O)c1;
    CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2
    )NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCC
    C4=O)c1; CC(C)c1cccc(c1)CNC[C@H]([C@H](C
    c2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(
    C)N4CCCCC4=O)O; CC(C)c1cccc(c1)CNCC(C(Cc
    2ccccc2)NC(=O)C3CCCC(C3)C(C)(C)N4CCCCC4=
    O)O    		 (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide;
    (1R,3S)-3-[1-Methyl-1-(2-oxo-piperidin-1-yl)-ethyl]-cyclohexanecarboxylic acid [(1S,2R)-1-benzyl-2-hydroxy-3-(3-isopropyl-benzylamino)-propyl]-amide
    19811 BJD 3 C36 H39 Cl2 N5 O3 S InChI=1S/C36H39Cl2N5O3S/c
    1-47(44,45)42-17-14-35-32
    (26-42)36(40-43(35)16-5-1
    5-41-18-20-46-21-19-41)30
    -11-13-33(37)29(23-30)10-
    8-27-9-12-34(38)31(22-27)
    25-39-24-28-6-3-2-4-7-28/
    h2-4,6-7,9,11-13,22-23,39
    H,5,14-21,24-26H2,1H3;
    IZBBHSKSQLPYHT-UHFFFAOYSA-N    		 C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)
    c4ccc(Cl)c(c4)C#Cc5ccc(Cl)c(CNCc6ccccc6)
    c5; CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c
    4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)C
    l)C1; Clc1c(cc(cc1)C#Cc2c(ccc(c2)c4c3CN(
    S(=O)(=O)C)CCc3n(n4)CCCN5CCOCC5)Cl)CNCc6
    ccccc6    		 N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
    19812 BJE
    ZINC000003956782    		 9 C9 H10 N2 O5 InChI=1S/C9H10N2O5/c12-3-
    4-6(14)7-8(15-4)11-2-1-5(
    13)10-9(11)16-7/h1-2,4,6-
    8,12,14H,3H2/t4-,6-,7-,8-
    /m1/s1;
    UUGITDASWNOAGG-XVFCMESISA-N    		 C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)
    OC2=NC1=O; C1=CN2C3C(C(C(O3)CO)O)OC2=NC1
    =O; OC[C@H]1O[C@@H]2[C@H](OC3=NC(=O)C=CN
    23)[C@@H]1O; OC[CH]1O[CH]2[CH](OC3=NC(=O
    )C=CN23)[CH]1O    		 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil;
    Anhydrouridine;
    2,2'-ANHYDROURIDINE;
    CYCLOURIDINE
    19813 BJF 0 C14 H25 N3 O3 InChI=1S/C14H25N3O3/c1-8(
    2)5-10(15)13-16-11(6-9(3)
    4)14(20)17(13)7-12(18)19/
    h8-10,20H,5-7,15H2,1-4H3,
    (H,18,19)/t10-/m0/s1;
    ZLWZOWAVQYOHMA-JTQLQIEISA-N    		 CC(C)C[C@H](N)c1nc(CC(C)C)c(O)n1CC(O)=O;
    CC(C)Cc1c(n(c(n1)C(CC(C)C)N)CC(=O)O)O;
    CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)
    O; CC(C)C[CH](N)c1nc(CC(C)C)c(O)n1CC(O)=
    O; Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O    		 {2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (LEU-LEU-GLY)
    19814 BJG
    CHEMBL3330121
    ZINC000098208701    		 1 C28 H30 Cl N7 O InChI=1S/C28H30ClN7O/c1-1
    8-4-5-19(29)16-22(18)26-2
    3(27(30)37)17-25(35(26)3)
    24-10-11-31-28(33-24)32-2
    0-6-8-21(9-7-20)36-14-12-
    34(2)13-15-36/h4-11,16-17
    H,12-15H2,1-3H3,(H2,30,37
    )(H,31,32,33);
    GTPKZTQLTICGMS-UHFFFAOYSA-N    		 Clc1cc(c(cc1)C)c2c(C(=O)N)cc(n2C)c3nc(nc
    c3)Nc4ccc(cc4)N5CCN(C)CC5; CN1CCN(CC1)c2
    ccc(Nc3nccc(n3)c4cc(C(N)=O)c(n4C)c5cc(Cl
    )ccc5C)cc2; Cc1ccc(cc1c2c(cc(n2C)c3ccnc(
    n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl    		 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
    19815 BJH
    DB07464
    ZINC000169748495    		 1 C11 H14 B N O6 InChI=1S/C11H14BNO6/c1-6(
    14)13-9(12(18)19)5-7-3-2-
    4-8(10(7)15)11(16)17/h2-4
    ,9,15,18-19H,5H2,1H3,(H,1
    3,14)(H,16,17)/t9-/m0/s1;
    MSRKDROGGGBNIX-VIFPVBQESA-N    		 CC(=O)N[CH](Cc1cccc(C(O)=O)c1O)B(O)O; B(
    C(Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O; O=C(O
    )c1cccc(c1O)CC(B(O)O)NC(=O)C; B([C@H](Cc
    1cccc(c1O)C(=O)O)NC(=O)C)(O)O; CC(=O)N[C
    @@H](Cc1cccc(C(O)=O)c1O)B(O)O    		 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
    19816 BJI
    CHEMBL1231367
    DB02614
    ZINC000169748475    		 1 C11 H14 B N O5 InChI=1S/C11H14BNO5/c1-7(
    14)13-10(12(17)18)6-8-3-2
    -4-9(5-8)11(15)16/h2-5,10
    ,17-18H,6H2,1H3,(H,13,14)
    (H,15,16)/t10-/m0/s1;
    OBZSRKUYUGJGIM-JTQLQIEISA-N    		 CC(=O)N[CH](Cc1cccc(c1)C(O)=O)B(O)O; B(C
    (Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O; CC(=O)N
    [C@@H](Cc1cccc(c1)C(O)=O)B(O)O; B([C@H](
    Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O; O=C(O)c1
    cc(ccc1)CC(NC(=O)C)B(O)O    		 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
    19817 BJJ 2 C36 H43 Cl2 N5 O3 S InChI=1S/C36H43Cl2N5O3S/c
    1-47(44,45)42-17-14-35-32
    (26-42)36(40-43(35)16-5-1
    5-41-18-20-46-21-19-41)30
    -11-13-33(37)29(23-30)10-
    8-27-9-12-34(38)31(22-27)
    25-39-24-28-6-3-2-4-7-28/
    h2-4,6-7,9,11-13,22-23,39
    H,5,8,10,14-21,24-26H2,1H
    3;
    ZWXXUSFMMWHRMT-UHFFFAOYSA-N    		 CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc
    (c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1;
    C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1
    )c4ccc(Cl)c(CCc5ccc(Cl)c(CNCc6ccccc6)c5)
    c4; c12CN(CCc1n(nc2c3ccc(Cl)c(c3)CCc4ccc
    (c(c4)CNCc5ccccc5)Cl)CCCN6CCOCC6)S(C)(=O
    )=O    		 N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
    19818 BJK 1 C8 H12 N O2 InChI=1S/C8H11NO2/c1-11-8
    -3-2-6(5-9)4-7(8)10/h2-4,
    10H,5,9H2,1H3/p+1;
    HJIDMVZCXORAIG-UHFFFAOYSA-O    		 COc1ccc(C[NH3+])cc1O; COc1ccc(cc1O)C[NH3
    +]    		 (4-methoxy-3-oxidanyl-phenyl)methylazanium
    19819 BJL 3 C15 H19 N O7 InChI=1S/C15H19NO7/c1-2-2
    3-15(22)12(18)8-13(19)16-
    11(14(20)21)7-9-3-5-10(17
    )6-4-9/h3-6,11-12,17-18H,
    2,7-8H2,1H3,(H,16,19)(H,2
    0,21)/t11-,12+/m0/s1;
    NGFYRWHZMJJCIF-NWDGAFQWSA-N    		 C(c1ccc(cc1)O)C(C(O)=O)NC(CC(O)C(OCC)=O)
    =O; CCOC(=O)C(CC(=O)NC(Cc1ccc(cc1)O)C(=O
    )O)O; CCOC(=O)[C@H](O)CC(=O)N[C@@H](Cc1c
    cc(O)cc1)C(O)=O; CCOC(=O)[CH](O)CC(=O)N[
    CH](Cc1ccc(O)cc1)C(O)=O; CCOC(=O)[C@@H](
    CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O    		 N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine
    19820 BJM 2 C18 H27 N3 O2 InChI=1S/C18H27N3O2/c19-8
    -13-2-12-3-14(12)21(13)16
    (22)15(20)17-4-10-1-11(5-
    17)7-18(23,6-10)9-17/h8,1
    0-15,19,23H,1-7,9,20H2/t1
    0-,11+,12-,13+,14+,15-,17
    +,18-/m1/s1;
    KMSQNYQXZPWGMJ-YQBUGCKMSA-N    		 C1C2CC2N(C1C=N)C(=O)C(C34CC5CC(C3)CC(C5)
    (C4)O)N; N[C@H](C(=O)N1[C@@H](C[C@@H]2C[
    C@H]12)C=N)C34C[C@H]5C[C@H](CC(O)(C5)C3)
    C4; C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[
    C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N;
    N[CH](C(=O)N1[CH](C[CH]2C[CH]12)C=N)C34
    C[CH]5C[CH](CC(O)(C5)C3)C4    		 (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone;
    Saxagliptin, bound form
    19821 BJN 0 C7 H11 N2 InChI=1S/C7H10N2/c8-4-3-7
    -2-1-5-9-6-7/h1-2,5-6H,3-
    4,8H2/p+1;
    NAHHNSMHYCLMON-UHFFFAOYSA-O    		 c1cc(cnc1)CC[NH3+]; [NH3+]CCc1cccnc1 2-pyridin-3-ylethylazanium
    19822 BJO 0 C16 H15 N3 O6 InChI=1S/C16H15N3O6/c17-1
    1(5-6-13(21)22)15-18-12(1
    6(25)19(15)8-14(23)24)7-9
    -1-3-10(20)4-2-9/h1-4,7H,
    5-6,8,17H2,(H,21,22)(H,23
    ,24)/b15-11-;
    XGBHJLIZOKMMSK-PTNGSMBKSA-N    		 C1=CC(=O)C=CC1=CC2=NC(=C(CCC(=O)O)N)N(C2
    =O)CC(=O)O; NC(CCC(O)=O)=C1N=C(C=C2C=CC(
    =O)C=C2)C(=O)N1CC(O)=O; C1=CC(=O)C=CC1=C
    C2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O;
    NC(/CCC(O)=O)=C1/N=C(C=C2C=CC(=O)C=C2)C(
    =O)N1CC(O)=O; O=C(CC\C(=C2/N=C(\C=C1/C=C
    C(C=C1)=O)C(=O)N2CC(=O)O)N)O    		 (4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid;
    CHROMOPHORE (GLU-TYR-GLY)
    19823 BJP
    DB07466
    ZINC000169748496    		 1 C17 H18 B N O5 InChI=1S/C17H18BNO5/c20-1
    6(11-12-5-2-1-3-6-12)19-1
    5(18(23)24)10-13-7-4-8-14
    (9-13)17(21)22/h1-9,15,23
    -24H,10-11H2,(H,19,20)(H,
    21,22)/t15-/m0/s1;
    ZAHVYMBTUDWUAX-HNNXBMFYSA-N    		 B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O
    )O; OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc
    2ccccc2; O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccc
    cc2)B(O)O; OB(O)[C@H](Cc1cccc(c1)C(O)=O)
    NC(=O)Cc2ccccc2; B([C@H](Cc1cccc(c1)C(=O
    )O)NC(=O)Cc2ccccc2)(O)O    		 (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
    19824 BJQ 0 C10 H14 N O2 InChI=1S/C10H13NO2/c1-13-
    10(12)9(11)7-8-5-3-2-4-6-
    8/h2-6,9H,7,11H2,1H3/p+1/
    t9-/m0/s1;
    VSDUZFOSJDMAFZ-VIFPVBQESA-O    		 COC(=O)[CH]([NH3+])Cc1ccccc1; COC(=O)[C@
    H](Cc1ccccc1)[NH3+]; COC(=O)C(Cc1ccccc1)
    [NH3+]; COC(=O)[C@@H]([NH3+])Cc1ccccc1    		 [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
    19825 BJR
    ZINC000032792138    		 2 C42 H85 N O8 P InChI=1S/C42H84NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h40H,6-
    39H2,1-5H3/p+1/t40-/m1/s1;
    PZNPLUBHRSSFHT-RRHRGVEJSA-O    		 CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC
    CCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C; O(
    C(COP(=O)(O)OCC[N+](C)(C)C)COC(=O)CCCCCC
    CCCCCCCCC)C(CCCCCCCCCCCCCCCCC)=O; CCCCCC
    CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC
    CCCCC)CO[P](O)(=O)OCC[N+](C)(C)C; CCCCCC
    CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC
    C)COP(=O)(O)OCC[N+](C)(C)C; CCCCCCCCCCCC
    CCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)C
    O[P](O)(=O)OCC[N+](C)(C)C    		 (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium
    19826 BJS 5 C38 H40 Cl2 N6 O3 InChI=1S/C38H40Cl2N6O3/c1
    -26-25-49-19-18-44(26)15-
    5-16-46-35-14-17-45(38(48
    )37(41)47)24-32(35)36(43-
    46)30-11-13-33(39)29(21-3
    0)10-8-27-9-12-34(40)31(2
    0-27)23-42-22-28-6-3-2-4-
    7-28/h2-4,6-7,9,11-13,20-
    21,26,42H,5,14-19,22-25H2
    ,1H3,(H2,41,47)/t26-/m0/s
    1;
    CIONECARUUEYBQ-SANMLTNESA-N    		 CC1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5c
    cc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(
    =O)N; C[CH]1COCCN1CCCn2nc(c3ccc(Cl)c(c3)
    C#Cc4ccc(Cl)c(CNCc5ccccc5)c4)c6CN(CCc26)
    C(=O)C(N)=O; C[C@H]1COCCN1CCCn2c3c(c(n2)
    c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)
    Cl)CN(CC3)C(=O)C(=O)N; C[C@H]1COCCN1CCCn
    2nc(c3ccc(Cl)c(c3)C#Cc4ccc(Cl)c(CNCc5ccc
    cc5)c4)c6CN(CCc26)C(=O)C(N)=O; C(CCn2c1c
    (CN(C(C(=O)N)=O)CC1)c(n2)c3cc(c(cc3)Cl)C
    #Cc4ccc(c(c4)CNCc5ccccc5)Cl)N6CCOCC6C    		 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
    19827 BJT 4 C26 H56 O34 P4 InChI=1S/C26H56O34P4/c27-
    1-10(29)19(36)12(31)4-53-
    62(46,47)54-5-14(33)21(38
    )15(34)6-55-63(48,49)57-8
    -16(35)22(39)18(60-26-25(
    42)24(41)23(40)17(2-28)59
    -26)9-58-64(50,51)56-7-13
    (32)20(37)11(30)3-52-61(4
    3,44)45/h10-42H,1-9H2,(H,
    46,47)(H,48,49)(H,50,51)(
    H2,43,44,45)/t10-,11+,12+
    ,13-,14-,15+,16-,17-,18+,
    19-,20+,21-,22-,23-,24+,2
    5-,26-/m0/s1;
    DYIPZANUDJDCKR-AXBQPTFUSA-N    		 C(C1C(C(C(C(O1)OC(COP(=O)(O)OCC(C(C(COP(
    =O)(O)O)O)O)O)C(C(COP(=O)(O)OCC(C(C(COP(
    =O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O
    ; OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[
    CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O
    )[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O
    )[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH
    ](O)[CH](O)[CH]1O; OC[C@H](O)[C@H](O)[C@
    H](O)CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@H]
    (O)CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@@H](
    CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@H](O)CO
    [P](O)(O)=O)O[C@@H]1O[C@@H](CO)[C@H](O)[
    C@@H](O)[C@@H]1O; C([C@H]1[C@@H]([C@H]([
    C@@H]([C@@H](O1)O[C@H](COP(=O)(O)OC[C@@H
    ]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)[C@H](
    [C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(
    =O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O
    )O)O)O)O)O)O    		 [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate
    19828 BJU
    CHEMBL4854669
    ZINC000071788297    		 4 C16 H31 N O3 InChI=1S/C16H31NO3/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    15(18)17-14-16(19)20/h2-1
    4H2,1H3,(H,17,18)(H,19,20
    );
    DYUGTPXLDJQBRB-UHFFFAOYSA-N    		 C(CCCC(=O)NCC(O)=O)CCCCCCCCC; CCCCCCCCCC
    CCCC(=O)NCC(=O)O; CCCCCCCCCCCCCC(=O)NCC(
    O)=O    		 N-tetradecanoylglycine
    19829 BJV 1 C37 H42 Cl N5 O4 S InChI=1S/C37H42ClN5O4S/c1
    -46-36-14-10-28(23-32(36)
    26-39-25-29-7-4-3-5-8-29)
    9-11-30-24-31(12-13-34(30
    )38)37-33-27-42(48(2,44)4
    5)18-15-35(33)43(40-37)17
    -6-16-41-19-21-47-22-20-4
    1/h3-5,7-8,10,12-14,23-24
    ,39H,6,15-22,25-27H2,1-2H
    3;
    XDJYRFZPTINNSF-UHFFFAOYSA-N    		 COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4
    c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C;
    COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4
    nn(CCCN5CCOCC5)c6CCN(Cc46)[S](C)(=O)=O;
    C1CN(CCO1)CCCn5c6c(c(c2ccc(c(c2)C#Cc3ccc
    (c(c3)CNCc4ccccc4)OC)Cl)n5)CN(CC6)S(C)(=
    O)=O    		 N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
    19830 BJW 1 C48 H64 N10 O19 P2 S InChI=1S/C48H64N10O19P2S/
    c1-26(2)55-44(65)32(19-28
    -20-50-30-14-7-6-13-29(28
    )30)56-43(64)31(57-47(66)
    71-21-27-11-4-3-5-12-27)1
    5-8-9-18-54-48(17-10-16-3
    5(59)60)76-40-38(62)34(75
    -46(40)80-48)23-73-79(69,
    70)77-78(67,68)72-22-33-3
    7(61)39(63)45(74-33)58-25
    -53-36-41(49)51-24-52-42(
    36)58/h3-7,11-14,20,24-26
    ,31-34,37-40,45-46,50,54,
    61-63H,8-10,15-19,21-23H2
    ,1-2H3,(H,55,65)(H,56,64)
    (H,57,66)(H,59,60)(H,67,6
    8)(H,69,70)(H2,49,51,52)/
    t31-,32-,33+,34+,37+,38+,
    39+,40+,45+,46+,48+/m0/s1;
    XUCUAEBJCFCJBU-KVSCZEPFSA-N    		 CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O
    )[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](
    O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[
    C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)
    O)CCCC(=O)O)NC(=O)OCc8ccccc8; CC(C)NC(=O
    )[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC
    CN[C@]3(CCCC(O)=O)O[C@@H]4[C@H](O)[C@@H]
    (CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@H]([
    C@H](O)[C@@H]5O)n6cnc7c(N)ncnc67)O[C@@H]
    4S3)NC(=O)OCc8ccccc8; CC(C)NC(=O)C(Cc1c[
    nH]c2c1cccc2)NC(=O)C(CCCCNC3(OC4C(C(OC4S
    3)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7
    c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc
    8; CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(
    =O)[CH](CCCCN[C]3(CCCC(O)=O)O[CH]4[CH](O
    )[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH
    ]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S
    3)NC(=O)OCc8ccccc8    		 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid
    19831 BJX
    CHEMBL1272
    DB00912
    ZINC000003798537    		 17 C27 H36 N2 O4 InChI=1S/C27H36N2O4/c1-4-
    33-25-17-20(12-13-22(25)2
    7(31)32)18-26(30)28-23(16
    -19(2)3)21-10-6-7-11-24(2
    1)29-14-8-5-9-15-29/h6-7,
    10-13,17,19,23H,4-5,8-9,1
    4-16,18H2,1-3H3,(H,28,30)
    (H,31,32)/t23-/m0/s1;
    FAEKWTJYAYMJKF-QHCPKHFHSA-N    		 CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)
    c2ccccc2N3CCCCC3; C(CC(c1ccccc1N2CCCCC2)
    NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C; CCOc1
    cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3
    CCCCC3; CCOc1cc(CC(=O)N[CH](CC(C)C)c2ccc
    cc2N3CCCCC3)ccc1C(O)=O; CCOc1cc(CC(=O)N[
    C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O    		 Repaglinide;
    2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
    19832 BJY 3 C29 H34 F3 N6 O4 S InChI=1S/C29H33F3N6O4S/c1
    -43(41,42)37-13-9-27-25(1
    8-37)28(20-2-4-21(5-3-20)
    29(30,31)32)34-38(27)16-2
    2(39)15-35-10-6-19(7-11-3
    5)23-14-33-26-8-12-36(40)
    17-24(23)26/h2-5,8,12,14,
    17,19,22,39-40H,6-7,9-11,
    13,15-16,18H2,1H3/p+1/t22
    -/m0/s1;
    OHGFFZPHDXPGML-QFIPXVFZSA-O    		 C[S](=O)(=O)N1CCc2n(C[CH](O)CN3CCC(CC3)c
    4c[nH]c5cc[n+](O)cc45)nc(c6ccc(cc6)C(F)(
    F)F)c2C1; c5(c1CN(CCc1n(CC(O)CN4CCC(c2cn
    c3cc[n+](cc23)O)CC4)n5)S(C)(=O)=O)c6ccc(
    cc6)C(F)(F)F; C[S](=O)(=O)N1CCc2n(C[C@@H
    ](O)CN3CCC(CC3)c4c[nH]c5cc[n+](O)cc45)nc
    (c6ccc(cc6)C(F)(F)F)c2C1; CS(=O)(=O)N1CC
    c2c(c(nn2CC(CN3CCC(CC3)c4c[nH]c5c4c[n+](
    cc5)O)O)c6ccc(cc6)C(F)(F)F)C1; CS(=O)(=O
    )N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c
    5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1    		 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
    19833 BJZ
    CHEMBL1098726
    ZINC000043130513    		 3 C26 H19 Cl2 N5 O4 InChI=1S/C26H19Cl2N5O4/c1
    -31-25(37)33(20-9-18(27)8
    -19(28)10-20)24(36)26(31)
    14-32(22-7-6-17(12-30-22)
    23(34)35)13-21(26)16-4-2-
    15(11-29)3-5-16/h2-10,12,
    21H,13-14H2,1H3,(H,34,35)
    /t21-,26+/m0/s1;
    LILGMDXLRPEBNH-HFZDXXHNSA-N    		 CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3
    )C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl;
    O=C(O)c1ccc(nc1)N5CC(c2ccc(C#N)cc2)C3(C(
    =O)N(C(=O)N3C)c4cc(Cl)cc(Cl)c4)C5; CN1C(
    =O)N(C(=O)C12CN(CC2c3ccc(cc3)C#N)c4ccc(c
    n4)C(=O)O)c5cc(cc(c5)Cl)Cl; CN1C(=O)N(C(
    =O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(c
    n4)C(O)=O)c5cc(Cl)cc(Cl)c5; CN1C(=O)N(C(
    =O)[C]12CN(C[CH]2c3ccc(cc3)C#N)c4ccc(cn4
    )C(O)=O)c5cc(Cl)cc(Cl)c5    		 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid
    19834 BK0
    CHEMBL556667
    ZINC000000362766    		 2 C12 H9 Cl N2 O InChI=1S/C12H9ClN2O/c13-9
    -4-3-5-10(8-9)15-12(16)11
    -6-1-2-7-14-11/h1-8H,(H,1
    5,16);
    SUYUTNCKIOLMAJ-UHFFFAOYSA-N    		 Clc1cccc(NC(=O)c2ccccn2)c1; c1ccnc(c1)C(
    =O)Nc2cccc(c2)Cl    		 N-(3-chlorophenyl)pyridine-2-carboxamide
    19835 BK1
    CHEMBL1231370
    ZINC000058638497    		 2 C19 H19 N5 InChI=1S/C19H19N5/c1-12(2
    )24-19-17(18(20)21-11-22-
    19)16(23-24)10-14-8-5-7-1
    3-6-3-4-9-15(13)14/h3-9,1
    1-12H,10H2,1-2H3,(H2,20,2
    1,22);
    QFGDRGRJMYSRIW-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N
    ; CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2
    )N; CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc
    14    		 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    4-Amino-1-iso-propyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine
    19836 BK2
    CHEMBL1231371
    ZINC000013831194    		 1 C19 H19 N5 InChI=1S/C19H19N5/c1-19(2
    ,3)24-18-15(17(20)21-11-2
    2-18)16(23-24)14-9-8-12-6
    -4-5-7-13(12)10-14/h4-11H
    ,1-3H3,(H2,20,21,22);
    ILKDWZKZLIHMFM-UHFFFAOYSA-N    		 CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2
    )N; CC(C)(C)n1nc(c2ccc3ccccc3c2)c4c(N)nc
    nc14; n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C(
    C)(C)C)N    		 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    4-Amino-1-tert-butyl-3-(2-naphthyl)pyrazolo[3,4-d]pyrimidine
    19837 BK3
    CHEMBL1231372
    ZINC000058655566    		 2 C22 H24 N6 InChI=1S/C22H24N6/c23-21-
    20-19(12-17-6-3-5-16-4-1-
    2-7-18(16)17)27-28(22(20)
    26-14-25-21)13-15-8-10-24
    -11-9-15/h1-7,14-15,24H,8
    -13H2,(H2,23,25,26);
    MMRLNUFECMEMSQ-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNC
    C5)N; Nc1ncnc2n(CC3CCNCC3)nc(Cc4cccc5ccc
    cc45)c12; n1c(c2c(nc1)n(nc2Cc4c3ccccc3cc
    c4)CC5CCNCC5)N    		 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    19838 BK4
    CHEMBL1785020
    ZINC000071294976    		 1 C19 H19 N5 O InChI=1S/C19H19N5O/c1-11(
    2)24-19-16(18(20)21-10-22
    -19)17(23-24)14-5-4-13-9-
    15(25-3)7-6-12(13)8-14/h4
    -11H,1-3H3,(H2,20,21,22);
    YTSDNPLOCDVGNB-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c3
    4; CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(
    ncn2)N; n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3
    cc4)C(C)C)N    		 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-87
    19839 BK5
    CHEMBL1785021
    ZINC000071295693    		 3 C20 H21 N5 O InChI=1S/C20H21N5O/c1-4-2
    6-16-8-7-13-9-15(6-5-14(1
    3)10-16)18-17-19(21)22-11
    -23-20(17)25(24-18)12(2)3
    /h5-12H,4H2,1-3H3,(H2,21,
    22,23);
    MJOCJDMQRCJQJF-UHFFFAOYSA-N    		 CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C
    )N; CCOc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc
    (N)c34; n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc
    3cc4)C(C)C)N    		 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-89
    19840 BK6
    CHEMBL2030553
    ZINC000084668816    		 1 C22 H24 N6 O InChI=1S/C22H24N6O/c1-29-
    18-5-4-15-10-17(3-2-16(15
    )11-18)20-19-21(23)25-13-
    26-22(19)28(27-20)12-14-6
    -8-24-9-7-14/h2-5,10-11,1
    3-14,24H,6-9,12H2,1H3,(H2
    ,23,25,26);
    MBHHJCMRPHUOAD-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN
    CC5)N; COc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)
    c5ncnc(N)c35; n1c(c2c(nc1)n(nc2c4cc3ccc(
    OC)cc3cc4)CC5CCNCC5)N    		 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-130
    19841 BK7
    CHEMBL2030554
    ZINC000084669176    		 2 C23 H26 N6 O InChI=1S/C23H26N6O/c1-2-3
    0-19-6-5-16-11-18(4-3-17(
    16)12-19)21-20-22(24)26-1
    4-27-23(20)29(28-21)13-15
    -7-9-25-10-8-15/h3-6,11-1
    2,14-15,25H,2,7-10,13H2,1
    H3,(H2,24,26,27);
    DLMBMHOJKBPKLK-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC5
    CCNCC5)N; CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN
    CC4)c5ncnc(N)c35; CCOc1ccc2cc(ccc2c1)c3c
    4c(ncnc4n(n3)CC5CCNCC5)N    		 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-132
    19842 BK8
    ZINC000584905537    		 2 C24 H27 N5 O InChI=1S/C24H27N5O/c1-2-3
    0-20-6-5-17-13-19(4-3-18(
    17)14-20)21-11-16(15-29-9
    -7-26-8-10-29)12-22-23(21
    )24(25)28-27-22/h3-6,11-1
    4,26H,2,7-10,15H2,1H3,(H3
    ,25,27,28);
    ZBGMTSWSDGHDMV-UHFFFAOYSA-N    		 CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)
    CN5CCNCC5; CCOc1ccc2cc(ccc2c1)c3cc(CN4CC
    NCC4)cc5n[nH]c(N)c35; Nc1nnc2c1c(cc(c2)C
    N3CCNCC3)c4ccc5c(c4)ccc(c5)OCC    		 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine
    19843 BK9
    CHEMBL263379
    ZINC000000343321    		 2 C10 H10 N2 O InChI=1S/C10H10N2O/c1-2-1
    3-10-8-5-3-4-6-9(8)11-7-1
    2-10/h3-7H,2H2,1H3;
    KHYIWRGNPLBXDS-UHFFFAOYSA-N    		 CCOc1ncnc2ccccc12; n2c1c(cccc1)c(OCC)nc2
    ; CCOc1c2ccccc2ncn1    		 4-ethoxyquinazoline
    19844 BKA
    ZINC000005819871    		 2 C7 H12 O3 InChI=1S/C7H12O3/c1-2-3-4
    -6(8)5-7(9)10/h2-5H2,1H3,
    (H,9,10);
    PRRBQHNMYJRHFW-UHFFFAOYSA-N    		 O=C(CCCC)CC(=O)O; CCCCC(=O)CC(O)=O; CCCC
    C(=O)CC(=O)O    		 3-oxoheptanoic acid
    19845 BKB 1 C25 H29 Cl F3 N5 O5 S InChI=1S/C25H29ClF3N5O5S/
    c26-19-14-18(25(27,28)29)
    15-20(16-19)32-9-11-33(12
    -10-32)40(38,39)21-4-5-22
    -17(13-21)6-8-34(22)24(36
    )30-7-2-1-3-23(35)31-37/h
    4-5,13-16,37H,1-3,6-12H2,
    (H,30,36)(H,31,35);
    KWCPEZUHMIKCPD-UHFFFAOYSA-N    		 O=S(=O)(c1cc2CCN(C(=O)NCCCCC(=O)NO)c2cc1
    )N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F; c1cc2
    c(cc1S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(
    F)(F)F)CCN2C(=O)NCCCCC(=O)NO; ONC(=O)CCC
    CNC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(C
    C3)c4cc(Cl)cc(c4)C(F)(F)F    		 5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide
    19846 BKC
    ZINC000004994997    		 1 C28 H38 O7 InChI=1S/C28H38O7/c1-21(1
    5-18-24(19-26(29)30)20-27
    (31)32)13-11-9-7-5-6-8-10
    -12-14-25(35-4)22(2)16-17
    -23(3)28(33)34/h6,8-12,15
    -19,21,25H,5,7,13-14,20H2
    ,1-4H3,(H,29,30)(H,31,32)
    (H,33,34)/b8-6+,11-9+,12-
    10-,18-15+,22-16-,23-17+,
    24-19+/t21-,25+/m0/s1;
    SHCXABJSXUACKU-WUTQZGRKSA-N    		 CO[CH](CC=CC=CCCC=CC[CH](C)C=CC(CC(O)=O)
    =CC(O)=O)C(C)=CC=C(C)C(O)=O; CO[C@H](C/C
    =C\C=C\CC/C=C/C[C@H](C)/C=C/C(CC(O)=O)=C
    \C(O)=O)\C(C)=C/C=C(\C)C(O)=O; CC(CC=CCC
    C=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(
    =O)O)CC(=O)O; C[C@@H](C/C=C/CC/C=C/C=C\C
    [C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(
    =C\C(=O)O)/CC(=O)O    		 Bongkrekic acid;
    Bongkrek acid
    19847 BKD
    CHEMBL4207043    		 1 C20 H22 N4 O InChI=1S/C20H22N4O/c1-13(
    25)23-10-8-19-17(12-23)20
    (22-24(19)11-14-5-6-14)16
    -3-2-4-18-15(16)7-9-21-18
    /h2-4,7,9,14,21H,5-6,8,10
    -12H2,1H3;
    MPXKOIKIRQBXKT-UHFFFAOYSA-N    		 CC(=O)N1CCc2n(CC3CC3)nc(c2C1)c4cccc5[nH]
    ccc45; CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5
    c4cc[nH]5)C1; C5C(Cn4c1CCN(C(C)=O)Cc1c(c
    2c3c(ccc2)ncc3)n4)C5    		 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
    19848 BKE
    CHEMBL1469891
    ZINC000008684005    		 1 C19 H15 N3 O2 InChI=1S/C19H15N3O2/c1-24
    -15-9-7-14(8-10-15)22-11-
    16(13-5-3-2-4-6-13)17-18(
    22)20-12-21-19(17)23/h2-1
    2H,1H3,(H,20,21,23);
    VAOBJTRTUSWVKW-UHFFFAOYSA-N    		 O=C1c2c(cn(c2N=CN1)c3ccc(OC)cc3)c4ccccc4
    ; COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4
    ; COc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc
    24    		 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    19849 BKF 3 C32 H43 Cl N2 O9 InChI=1S/C32H43ClN2O9/c1-
    17(2)29(37)43-25-15-26(36
    )35(6)21-13-20(14-22(40-7
    )27(21)33)12-18(3)10-9-11
    -24(41-8)32(39)16-23(42-3
    0(38)34-32)19(4)28-31(25,
    5)44-28/h9-11,13-14,17,19
    ,23-25,28,39H,12,15-16H2,
    1-8H3,(H,34,38)/b11-9-,18
    -10-/t19-,23-,24+,25-,28-
    ,31-,32-/m0/s1;
    OPQNCARIZFLNLF-GFSDGHFRSA-N    		 CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(
    =O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=
    O)O2)O; CO[C@@H]1\C=C/C=C(/C)Cc2cc(OC)c(
    Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]
    3(C)O[C@H]3[C@@H](C)[C@@H]4C[C@@]1(O)NC(
    =O)O4; C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C
    (Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4
    ([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2
    )O; CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N
    (C)C(=O)C[CH](OC(=O)C(C)C)[C]3(C)O[CH]3[
    CH](C)[CH]4C[C]1(O)NC(=O)O4; C3C(C4(C)C(
    C(C)C1OC(=O)NC(C1)(C(C=CC=C(C)Cc2cc(c(c(
    c2)N(C3=O)C)Cl)OC)OC)O)O4)OC(=O)C(C)C    		 (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
    19850 BKH
    CHEMBL5181579    		 1 C20 H16 Cl2 F3 N3 O4 S InChI=1S/C20H16Cl2F3N3O4S
    /c21-10-2-1-9(5-11(10)22)
    33-20-19(31)17(18(30)15(7
    -29)32-20)28-6-14(26-27-2
    8)8-3-12(23)16(25)13(24)4
    -8/h1-6,15,17-20,29-31H,7
    H2/t15-,17+,18+,19-,20-/m
    1/s1;
    CSGJIUAIYDKFPC-DABHTEOTSA-N    		 c1cc(c(cc1SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4
    cc(c(c(c4)F)F)F)O)Cl)Cl; c1cc(c(cc1S[C@@
    H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc
    (nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl; OC[CH]1O
    [CH](Sc2ccc(Cl)c(Cl)c2)[CH](O)[CH]([CH]1
    O)n3cc(nn3)c4cc(F)c(F)c(F)c4; OC[C@H]1O[
    C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@
    H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    19851 BKI
    ZINC000263620319    		 1 C18 H12 Br N3 O InChI=1S/C18H12BrN3O/c19-
    13-8-6-12(7-9-13)15-10-22
    (14-4-2-1-3-5-14)17-16(15
    )18(23)21-11-20-17/h1-11H
    ,(H,20,21,23);
    CPYVKWBLVMVKFH-UHFFFAOYSA-N    		 Brc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)cc4
    ; c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)
    Br; Brc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O
    )c24    		 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    19852 BKJ
    CHEMBL4203082    		 1 C26 H28 N6 O2 InChI=1S/C26H28N6O2/c1-17
    (33)31-9-6-25-23(16-31)26
    (29-32(25)20-7-10-34-11-8
    -20)21-5-3-4-18-12-24(27-
    14-22(18)21)19-13-28-30(2
    )15-19/h3-5,12-15,20H,6-1
    1,16H2,1-2H3;
    RPDQYBNAJDAGIK-UHFFFAOYSA-N    		 C6CC(n5c1CCN(C(C)=O)Cc1c(c2cccc3c2cnc(c3
    )c4cnn(c4)C)n5)CCO6; Cn1cc(cn1)c2cc3cccc
    (c3cn2)c4nn(C5CCOCC5)c6CCN(Cc46)C(C)=O;
    CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc
    (c5)c6cnn(c6)C)C1    		 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
    19853 BKK 1 C20 H17 Cl F3 N3 O4 S InChI=1S/C20H17ClF3N3O4S/
    c21-10-2-1-3-11(6-10)32-2
    0-19(30)17(18(29)15(8-28)
    31-20)27-7-14(25-26-27)9-
    4-12(22)16(24)13(23)5-9/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20+/m1/s1;
    MJHCQQXAUYYTBY-ZKIDJSGLSA-N    		 c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H](
    [C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F
    )O; OC[C@H]1O[C@@H](Sc2cccc(Cl)c2)[C@H](
    O)[C@H]([C@H]1O)n3cc(nn3)c4cc(F)c(F)c(F)
    c4; c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3c
    c(nn3)c4cc(c(c(c4)F)F)F)O; OC[CH]1O[CH](
    Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn
    3)c4cc(F)c(F)c(F)c4    		 (2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    19854 BKL 1 C28 H37 Cl N2 O8 InChI=1S/C28H37ClN2O8/c1-
    15-8-7-9-22(37-6)28(35)14
    -20(38-26(34)30-28)16(2)2
    5-27(3,39-25)21(32)13-23(
    33)31(4)18-11-17(10-15)12
    -19(36-5)24(18)29/h7-9,11
    -12,16,20-22,25,32,35H,10
    ,13-14H2,1-6H3,(H,30,34)/
    b9-7+,15-8+/t16-,20+,21-,
    22+,25-,27-,28-/m0/s1;
    QWPXBEHQFHACTK-PVEDLESJSA-N    		 CO[C@@H]1/C=C/C=C(\C)Cc2cc(OC)c(Cl)c(c2)
    N(C)C(=O)C[C@H](O)[C@]3(C)O[C@H]3[C@@H](
    C)[C@H]4C[C@@]1(O)NC(=O)O4; CC1C2CC(C(C=
    CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O
    4)C)O)C)C)OC)(NC(=O)O2)O; C[C@H]1[C@H]2C
    [C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl
    )N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)
    OC)(NC(=O)O2)O; CO[CH]1C=CC=C(C)Cc2cc(OC
    )c(Cl)c(c2)N(C)C(=O)C[CH](O)[C]3(C)O[CH]
    3[CH](C)[CH]4C[C]1(O)NC(=O)O4; C2C(N(c1c
    (Cl)c(OC)cc(c1)CC(=CC=CC(C4(NC(OC(C(C3C(
    C)(C2O)O3)C)C4)=O)O)OC)C)C)=O    		 (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
    19855 BKM
    CHEMBL5184184    		 2 C33 H52 O11 InChI=1S/C33H52O11/c1-9-2
    4(10-2)15-25(34)14-19(4)1
    3-18(3)11-12-26(35)21(6)2
    8(37)16-27(36)20(5)23(8)4
    4-30(39)17-29(38)31(33(42
    )43)22(7)32(40)41/h9,15,1
    8-21,23,26-27,29,35-36,38
    H,1,10-14,16-17H2,2-8H3,(
    H,40,41)(H,42,43)/b24-15-
    ,31-22-/t18-,19+,20+,21-,
    23+,26-,27+,29+/m0/s1;
    AQLTUWTUANKXRS-OXKGMMJMSA-N    		 C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)
    C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)
    O)=O)O)C)=O)CC; CCC(C=C)=CC(=O)C[CH](C)C
    [CH](C)CC[CH](O)[CH](C)C(=O)C[CH](O)[CH]
    (C)[CH](C)OC(=O)C[CH](O)C(C(O)=O)=C(C)C(
    O)=O; CCC(\C=C)=C/C(=O)C[C@H](C)C[C@@H](
    C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H]
    (C)[C@@H](C)OC(=O)C[C@@H](O)\C(C(O)=O)=C
    (/C)C(O)=O; CC/C(=C\C(=O)C[C@H](C)C[C@@H
    ](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C
    )[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)
    /C(=O)O)O)O)O)/C=C; CCC(=CC(=O)CC(C)CC(C
    )CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C(=C(C
    )C(=O)O)C(=O)O)O)O)O)C=C    		 (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid;
    Tautomycetin diacid form
    19856 BKN
    ZINC000002534768    		 4 C8 H14 O3 InChI=1S/C8H14O3/c1-3-11-
    8(10)6-4-5-7(2)9/h3-6H2,1
    -2H3;
    MGPSIDGTLFKDEY-UHFFFAOYSA-N    		 CCOC(=O)CCCC(=O)C; CCOC(=O)CCCC(C)=O ethyl 5-oxohexanoate
    19857 BKO 1 C26 H30 N2 O4 S InChI=1S/C26H30N2O4S/c29-
    22-17-23(26(31)27-14-16-3
    3-19-27)28(18-22)25(30)11
    -6-15-32-24-10-5-4-9-21(2
    4)13-12-20-7-2-1-3-8-20/h
    1-5,7-10,12-13,22-23,29H,
    6,11,14-19H2/b13-12+;
    VJHGOPMDXSBFHZ-OUKQBFOZSA-N    		 c1ccc(cc1)C=Cc2ccccc2OCCCC(=O)N3CC(CC3C(
    =O)N4CCSC4)O; O[CH]1C[CH](N(C1)C(=O)CCCO
    c2ccccc2C=Cc3ccccc3)C(=O)N4CCSC4; c1ccc(
    cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N
    4CCSC4)O; O[C@H]1C[C@H](N(C1)C(=O)CCCOc2
    ccccc2\C=C\c3ccccc3)C(=O)N4CCSC4    		 1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{E})-2-phenylethenyl]phenoxy]butan-1-one
    19858 BKP
    ZINC000082050082    		 3 C10 H17 N5 O17 P4 InChI=1S/C10H17N5O17P4/c1
    1-10-13-7-4(8(18)14-10)12
    -2-15(7)9-6(17)5(16)3(29-
    9)1-28-34(22,23)31-36(26,
    27)32-35(24,25)30-33(19,2
    0)21/h2-3,5-6,9,16-17H,1H
    2,(H,22,23)(H,24,25)(H,26
    ,27)(H2,19,20,21)(H3,11,1
    3,14,18)/t3-,5-,6-,9-/m1/
    s1;
    KDFXXNGTULMGMF-UUOKFMHZSA-N    		 P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C
    (C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O; NC1=
    NC(=O)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](
    O)[C@H]3O)c2N1; c1nc2c(n1[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(
    O)OP(=O)(O)O)O)O)NC(=NC2=O)N; c1nc2c(n1C
    3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP
    (=O)(O)O)O)O)NC(=NC2=O)N; NC1=NC(=O)c2nc
    n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P]
    (O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2N1    		 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
    19859 BKQ
    CHEMBL3182933
    ZINC000003860971    		 2 C7 H12 O3 InChI=1S/C7H12O3/c1-3-10-
    7(9)5-4-6(2)8/h3-5H2,1-2H
    3;
    GMEONFUTDYJSNV-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)C; CCOC(=O)CCC(C)=O ethyl levulinate
    19860 BKR
    CHEMBL302324
    ZINC000094303247    		 14 C45 H49 N O13 InChI=1S/C45H49NO13/c1-24
    -29(57-41(54)35(50)33(26-
    15-9-6-10-16-26)46-39(52)
    27-17-11-7-12-18-27)22-45
    (55)38(58-40(53)28-19-13-
    8-14-20-28)36-43(5,37(51)
    34(49)32(24)42(45,3)4)30(
    48)21-31-44(36,23-56-31)5
    9-25(2)47/h6-20,29-31,33-
    36,38,48-50,55H,21-23H2,1
    -5H3,(H,46,52)/t29-,30-,3
    1+,33-,34+,35+,36-,38-,43
    +,44-,45+/m0/s1;
    TYLVGQKNNUHXIP-MHHARFCSSA-N    		 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)
    [C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@
    H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c
    7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C; CC(
    =O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[CH]
    (OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](
    O)[CH](NC(=O)c6ccccc6)c7ccccc7)C(=C([CH]
    (O)C3=O)C5(C)C)C; CC1=C2[C@H](C(=O)[C@@]
    3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](
    C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc
    cc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(C
    O4)OC(=O)C)O)C)O; O=C(NC(C(O)C(OC3C(C)=C
    4C(C(C2(C(O)CC1OCC1(OC(=O)C)C2C(C(C3)(C4
    (C)C)O)OC(c5ccccc5)=O)C)=O)O)=O)c6ccccc6
    )c7ccccc7; CC1=C2C(C(=O)C3(C(CC4C(C3C(C(
    C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6cc
    ccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C
    )O    		 Deacetyltaxol
    19861 BKS
    ZINC000263621143    		 1 C18 H12 Cl N3 O InChI=1S/C18H12ClN3O/c19-
    13-8-6-12(7-9-13)15-10-22
    (14-4-2-1-3-5-14)17-16(15
    )18(23)21-11-20-17/h1-11H
    ,(H,20,21,23);
    VUHYRUNDSUZARS-UHFFFAOYSA-N    		 c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl
    ; Clc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)c
    c4; Clc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O
    )c24    		 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    19862 BKU 1 C38 H54 Cl N3 O10 S2 InChI=1S/C38H54ClN3O10S2/
    c1-21-13-12-14-28(49-10)3
    8(47)19-27(50-35(46)40-38
    )22(2)33-37(6,52-33)29(51
    -34(45)23(3)41(7)31(44)20
    -36(4,5)54-53-11)18-30(43
    )42(8)25-16-24(15-21)17-2
    6(48-9)32(25)39/h12-14,16
    -17,22-23,27-29,33,47H,15
    ,18-20H2,1-11H3,(H,40,46)
    /b14-12+,21-13+/t22-,23-,
    27-,28-,29-,33-,37+,38+/m
    0/s1;
    SGYGJRKOIZZIEK-TUXWXYFASA-N    		 CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(
    =O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CC(C)
    (C)SSC)C)C)OC)(NC(=O)O2)O; C[C@H]1[C@@H]
    2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)C
    l)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O
    )[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC
    (=O)O2)O; CO[C@H]1\C=C\C=C(/C)Cc2cc(OC)c
    (Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N
    (C)C(=O)CC(C)(C)SSC)[C@@]3(C)O[C@H]3[C@@
    H](C)[C@@H]4C[C@]1(O)NC(=O)O4; c42cc(OC)
    c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C
    (OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C
    (=O)CC(C)(C)SSC)c4; CO[CH]1C=CC=C(C)Cc2c
    c(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH]
    (C)N(C)C(=O)CC(C)(C)SSC)[C]3(C)O[CH]3[CH
    ](C)[CH]4C[C]1(O)NC(=O)O4    		 (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
    19863 BKV
    CHEMBL1423878
    ZINC000018177361    		 1 C18 H12 Br N3 O InChI=1S/C18H12BrN3O/c19-
    13-6-8-14(9-7-13)22-10-15
    (12-4-2-1-3-5-12)16-17(22
    )20-11-21-18(16)23/h1-11H
    ,(H,20,21,23);
    PNDQJUVRRFIFTM-UHFFFAOYSA-N    		 c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)
    Br; Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=
    Nc24; Brc1ccc(cc1)n3cc(c2C(=O)NC=Nc23)c4
    ccccc4    		 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    19864 BKW
    CHEMBL573936
    ZINC000045285873    		 1 C21 H18 O5 S InChI=1S/C21H18O5S/c1-26-
    18-10-6-15(7-11-18)16-8-1
    2-19(13-9-16)27(24,25)20-
    5-3-2-4-17(20)14-21(22)23
    /h2-13H,14H2,1H3,(H,22,23
    );
    FIPYOKGRSDJCAR-UHFFFAOYSA-N    		 COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc
    3CC(O)=O; COc1ccc(cc1)c2ccc(cc2)S(=O)(=O
    )c3ccccc3CC(=O)O    		 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid
    19865 BKX 1 C36 H50 Cl N3 O10 S2 InChI=1S/C36H50ClN3O10S2/
    c1-20-11-10-12-27(47-8)36
    (45)19-26(48-34(44)38-36)
    21(2)32-35(4,50-32)28(49-
    33(43)22(3)39(5)29(41)13-
    14-52-51-9)18-30(42)40(6)
    24-16-23(15-20)17-25(46-7
    )31(24)37/h10-12,16-17,21
    -22,26-28,32,45H,13-15,18
    -19H2,1-9H3,(H,38,44)/b12
    -10+,20-11+/t21-,22+,26+,
    27-,28-,32-,35-,36+/m1/s1;
    ZLUUPZXOPGORNG-SLSHKPKNSA-N    		 CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C
    (=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C
    ]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;
    CO[C@@H]1\C=C\C=C(/C)Cc2cc(OC)c(Cl)c(c2
    )N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O
    )CCSSC)[C@@]3(C)O[C@@H]3[C@H](C)[C@@H]4C
    [C@@]1(O)NC(=O)O4; C[C@@H]1[C@@H]2C[C@](
    [C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=
    O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](
    C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O; CC1
    C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)
    CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSC)C)
    C)OC)(NC(=O)O2)O; c42cc(c(Cl)c(N(C)C(CC(
    C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(
    =O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)O
    C    		 (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
    19866 BKY
    CHEMBL1526763
    ZINC000000980559    		 1 C24 H16 O5 InChI=1S/C24H16O5/c25-22-
    18-6-2-3-7-19(18)23(26)20
    (22)13-17-5-1-4-8-21(17)2
    9-14-15-9-11-16(12-10-15)
    24(27)28/h1-13H,14H2,(H,2
    7,28);
    NRIDPHPNVUPLOD-UHFFFAOYSA-N    		 OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C
    3=O)cc1; c1(ccc(cc1)COc2c(cccc2)\C=C4/C(
    c3c(cccc3)C4=O)=O)C(O)=O; c1ccc(c(c1)C=C
    2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O    		 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
    19867 BKZ
    CHEMBL105912
    ZINC000000154632    		 3 C10 H12 O2 InChI=1S/C10H12O2/c1-8(11
    )2-3-9-4-6-10(12)7-5-9/h4
    -7,12H,2-3H2,1H3;
    NJGBTKGETPDVIK-UHFFFAOYSA-N    		 CC(=O)CCc1ccc(cc1)O; CC(=O)CCc1ccc(O)cc1 4-(4-hydroxyphenyl)butan-2-one
    19868 BL0
    CHEMBL403287
    ZINC000029127817    		 1 C5 H10 N4 O2 S2 InChI=1S/C5H10N4O2S2/c1-9
    (2)5-8-7-4(12-5)3-13(6,10
    )11/h3H2,1-2H3,(H2,6,10,1
    1);
    HZGQWVQLUYIYQA-UHFFFAOYSA-N    		 CN(C)c1sc(C[S](N)(=O)=O)nn1; CN(C)c1nnc(
    s1)CS(=O)(=O)N; O=S(=O)(N)Cc1nnc(s1)N(C)
    C    		 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide;
    2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide
    19869 BL1
    DB07467
    ZINC000000601305    		 2 C16 H16 Cl N3 O3 S InChI=1S/C16H16ClN3O3S/c1
    -10-8-11-4-2-3-5-14(11)20
    (10)19-16(21)12-6-7-13(17
    )15(9-12)24(18,22)23/h2-7
    ,9-10H,8H2,1H3,(H,19,21)(
    H2,18,22,23)/t10-/m0/s1;
    NDDAHWYSQHTHNT-JTQLQIEISA-N    		 CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)
    N)Cl; C[CH]1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(
    c3)[S](N)(=O)=O; O=S(=O)(N)c1c(Cl)ccc(c1
    )C(=O)NN3c2ccccc2CC3C; C[C@H]1Cc2ccccc2N
    1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl; C[C@H]1
    Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)[S](N)(=O
    )=O    		 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide;
    Indapamide
    19870 BL2
    CHEMBL1222009
    ZINC000082069866    		 2 C11 H21 N O4 InChI=1S/C11H21NO4/c1-7(2
    )6-8(9(13)14)12-10(15)16-
    11(3,4)5/h7-8H,6H2,1-5H3,
    (H,12,15)(H,13,14)/t8-/m0
    /s1;
    MDXGYYOJGPFFJL-QMMMGPOBSA-N    		 O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C; CC(C)CC(
    C(=O)O)NC(=O)OC(C)(C)C; CC(C)C[C@H](NC(=
    O)OC(C)(C)C)C(O)=O; CC(C)C[C@@H](C(=O)O)
    NC(=O)OC(C)(C)C; CC(C)C[CH](NC(=O)OC(C)(
    C)C)C(O)=O    		 N-(tert-butoxycarbonyl)-L-leucine
    19871 BL3
    ZINC000103534363    		 3 C33 H34 N4 O6 InChI=1S/C33H34N4O6/c1-7-
    20-18(5)32(42)36-26(20)13
    -24-16(3)22(9-11-30(38)39
    )28(34-24)15-29-23(10-12-
    31(40)41)17(4)25(35-29)14
    -27-21(8-2)19(6)33(43)37-
    27/h7-8,13-15,34H,1-2,9-1
    2H2,3-6H3,(H,36,42)(H,37,
    43)(H,38,39)(H,40,41)/b26
    -13-,27-14-,29-15-;
    JXYQCWFZZAWTEC-SRVCBVSDSA-N    		 Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)
    C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=
    C4C=C)C; Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N
    2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(
    =O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; Cc1c([n
    H]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=
    C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C
    4C=C)C; Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)
    C=C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=
    C)C)CCC(=O)O)CCC(=O)O    		 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;
    BILIVERDIN XIII ALPHA
    19872 BL4
    CHEMBL1231375
    DB07468
    ZINC000024970237    		 1 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-12
    -6-5-9-14-15(12)16(21)18(
    22)10-11-20(17(18)19-14)1
    3-7-3-2-4-8-13/h2-9,22H,1
    0-11H2,1H3/t18-/m1/s1;
    NJBBBRZNBVLTRZ-GOSISDBHSA-N    		 Cc1cccc2c1C(=O)C3(CCN(C3=N2)c4ccccc4)O;
    Cc1cccc2N=C3N(CC[C]3(O)C(=O)c12)c4ccccc4
    ; Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4cccc
    c4)O; O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O
    )C; Cc1cccc2N=C3N(CC[C@@]3(O)C(=O)c12)c4
    ccccc4    		 (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
    S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one
    19873 BL5
    ZINC000058631334    		 2 C38 H62 N8 O4 InChI=1S/C38H62N8O4/c1-3-
    5-17-29(35(47)45-33(23-13
    -15-25-39)37(49)43-31-19-
    9-7-10-20-31)27-41-42-28-
    30(18-6-4-2)36(48)46-34(2
    4-14-16-26-40)38(50)44-32
    -21-11-8-12-22-32/h7-12,1
    9-22,29-30,33-34,41-42H,3
    -6,13-18,23-28,39-40H2,1-
    2H3,(H,43,49)(H,44,50)(H,
    45,47)(H,46,48)/t29-,30-,
    33-,34-/m0/s1;
    YFMXWONORHSZEM-ANFUHZJESA-N    		 CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](C
    CCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C
    (=O)Nc2ccccc2; O=C(Nc1ccccc1)C(NC(=O)C(C
    CCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)C
    CCC)CCCCN; CCCC[CH](CNNC[CH](CCCC)C(=O)N
    [CH](CCCCN)C(=O)Nc1ccccc1)C(=O)N[CH](CCC
    CN)C(=O)Nc2ccccc2; CCCCC(CNNCC(CCCC)C(=O
    )NC(CCCCN)C(=O)Nc1ccccc1)C(=O)NC(CCCCN)C
    (=O)Nc2ccccc2    		 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE
    19874 BL6
    CHEMBL1231377
    DB07469
    ZINC000024970236    		 1 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-12
    -7-8-14-15(11-12)19-17-18
    (22,16(14)21)9-10-20(17)1
    3-5-3-2-4-6-13/h2-8,11,22
    H,9-10H2,1H3/t18-/m1/s1;
    KAJFGRLMKVNMLH-GOSISDBHSA-N    		 Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)
    O; Cc1ccc2C(=O)[C@]3(O)CCN(c4ccccc4)C3=N
    c2c1; Cc1ccc2C(=O)[C]3(O)CCN(c4ccccc4)C3
    =Nc2c1; O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc
    (cc4)C; Cc1ccc2c(c1)N=C3C(C2=O)(CCN3c4cc
    ccc4)O    		 (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
    S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
    19875 BL7
    CHEMBL1231378
    DB07470
    ZINC000024970238    		 1 C17 H14 N2 O2 InChI=1S/C17H14N2O2/c20-1
    5-13-8-4-5-9-14(13)18-16-
    17(15,21)10-11-19(16)12-6
    -2-1-3-7-12/h1-9,21H,10-1
    1H2/t17-/m1/s1;
    DOMYOVZXZIZTRD-QGZVFWFLSA-N    		 c1ccc(cc1)N2CCC3(C2=Nc4ccccc4C3=O)O; O=C
    2c4c(N=C3N(c1ccccc1)CCC23O)cccc4; O[C@@]
    12CCN(c3ccccc3)C1=Nc4ccccc4C2=O; O[C]12C
    CN(c3ccccc3)C1=Nc4ccccc4C2=O; c1ccc(cc1)
    N2CC[C@@]3(C2=Nc4ccccc4C3=O)O    		 (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
    (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one
    19876 BL8
    ZINC000263621178    		 1 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,19-20,34H,1
    -2,9-12H2,3-6H3,(H,36,43)
    (H,37,42)(H,38,39)(H,40,4
    1)/b26-13-,27-14-,29-15-/
    t19-,20-/m1/s1;
    WLDQKQLRZDEERT-IFTFHFPBSA-N    		 C[C@@H]1[C@@H](C=C)/C(NC1=O)=C/C2=NC(=C/
    c3[nH]c(\C=C\4NC(=O)C(=C\4C)C=C)c(C)c3CC
    C(O)=O)\C(=C2C)CCC(O)=O; Cc1c(c([nH]c1C=
    C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4
    C(C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; C
    c1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C
    =C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O
    )N4)C)C=C)C)CCC(=O)O)CCC(=O)O; C[CH]1[CH
    ](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=
    O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O
    )=O    		 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
    19877 BLA
    ZINC000103534374    		 317 C33 H34 N4 O6 InChI=1S/C33H34N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,34H,1-2,9-1
    2H2,3-6H3,(H,36,43)(H,37,
    42)(H,38,39)(H,40,41)/b26
    -13-,27-14-,29-15-;
    GWZYPXHJIZCRAJ-SRVCBVSDSA-N    		 Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\
    C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C
    =C)C)CCC(=O)O)CCC(=O)O; Cc1c(c([nH]c1C=C
    2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C
    (=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; C
    c1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C
    (=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C
    4C)C=C; Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O
    )C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\
    C=C4/NC(=O)C(=C4C)C=C    		 BILIVERDINE IX ALPHA
    19878 BLB 0 C55 H85 N20 O21 S2 InChI=1S/C55H84N20O21S2/c
    1-19-32(72-45(75-43(19)58
    )24(11-30(57)79)67-12-23(
    56)44(59)85)49(89)74-34(4
    0(25-13-63-18-68-25)94-53
    -42(38(83)36(81)28(14-76)
    93-53)95-52-39(84)41(96-5
    5(62)91)37(82)29(15-77)92
    -52)50(90)69-21(3)35(80)2
    0(2)46(86)73-33(22(4)78)4
    8(88)65-10-7-31-70-27(17-
    97-31)51-71-26(16-98-51)4
    7(87)64-8-5-6-9-66-54(60)
    61/h13,16-18,20-24,28-29,
    33-42,52-53,67,76-78,80-8
    4H,5-12,14-15,56H2,1-4H3,
    (H2,57,79)(H2,59,85)(H2,6
    2,91)(H,63,68)(H,64,87)(H
    ,65,88)(H,69,90)(H,73,86)
    (H,74,89)(H2,58,72,75)(H4
    ,60,61,66)/p+1/t20-,21+,2
    2+,23-,24-,28-,29+,33-,34
    -,35-,36+,37+,38-,39-,40-
    ,41-,42-,52+,53-/m0/s1;
    NBLHOLNNKJBEDC-XOGQCRKLSA-O    		 O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O
    )NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3n
    c(C(=O)NCCCCNC(=[NH2+])\N)cs3)C(O)C)C)C(
    OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)
    N)C4O)c6ncnc6)C)CC(=O)N; Cc1c(nc(nc1N)[C
    @H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@
    H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([
    C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@
    H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N
    [C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H
    ](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCC
    CCNC(=[NH2+])N)O; C[CH](O)[CH](NC(=O)[CH
    ](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1nc(
    nc(N)c1C)[CH](CC(N)=O)NC[CH](N)C(N)=O)[C
    H](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[C
    H]3O[CH](CO)[CH](O)[CH](OC(N)=O)[CH]3O)c
    4c[nH]cn4)C(=O)NCCc5scc(n5)c6scc(n6)C(=O
    )NCCCCNC(N)=[NH2+]; Cc1c(nc(nc1N)C(CC(=O
    )N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3
    C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(
    =O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=
    O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH
    2+])N)O; C[C@@H](O)[C@H](NC(=O)[C@@H](C)
    [C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc
    (nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O
    )[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H
    ](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@
    H](OC(N)=O)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc
    5scc(n5)c6scc(n6)C(=O)NCCCCNC(N)=[NH2+]    		 BLEOMYCIN B2
    19879 BLD
    ZINC000008221384    		 22 C28 H48 O6 InChI=1S/C28H48O6/c1-14(2
    )15(3)24(31)25(32)16(4)18
    -7-8-19-17-13-34-26(33)21
    -11-22(29)23(30)12-28(21,
    6)20(17)9-10-27(18,19)5/h
    14-25,29-32H,7-13H2,1-6H3
    /t15-,16-,17-,18+,19-,20-
    ,21+,22-,23+,24+,25+,27+,
    28+/m0/s1;
    IXVMHGVQKLDRKH-KNBKMWSGSA-N    		 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C
    @H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4
    )O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
    ; CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C
    )[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H
    ](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C; CC
    (C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C
    3(CC(C(C4)O)O)C)C)O)O; O=C1OCC3C(C2(C1CC
    (O)C(O)C2)C)CCC4(C)C(C(C)C(O)C(O)C(C)C(C
    )C)CCC34; CC(C)[CH](C)[CH](O)[CH](O)[CH]
    (C)[CH]1CC[CH]2[CH]3COC(=O)[CH]4C[CH](O)
    [CH](O)C[C]4(C)[CH]3CC[C]12C    		 Brassinolide;
    (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dime thylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
    19880 BLE 0 C5 H14 B N O2 InChI=1S/C5H14BNO2/c1-4(2
    )3-5(7)6(8)9/h4-5,8-9H,3,
    7H2,1-2H3/t5-/m0/s1;
    BMGMQYRPZOGZFU-YFKPBYRVSA-N    		 CC(C)C[C@H](N)B(O)O; CC(C)C[CH](N)B(O)O;
    OB(O)C(N)CC(C)C; B(C(CC(C)C)N)(O)O; B([
    C@H](CC(C)C)N)(O)O    		 LEUCINE BORONIC ACID
    19881 BLF
    CHEMBL2024323
    ZINC000084603293    		 4 C31 H29 Cl2 N5 O2 InChI=1S/C31H29Cl2N5O2/c3
    2-23-8-6-21(7-9-23)19-38-
    20-35-28(22-4-2-1-3-5-22)
    30(38)27-25-11-10-24(33)1
    8-26(25)36-29(27)31(39)34
    -12-13-37-14-16-40-17-15-
    37/h1-11,18,20,36H,12-17,
    19H2,(H,34,39);
    IFORBTVIRBZFON-UHFFFAOYSA-N    		 Clc1ccc(cc1)Cn3cnc(c2ccccc2)c3c5c4ccc(Cl
    )cc4nc5C(=O)NCCN6CCOCC6; Clc1ccc(Cn2cnc(
    c3ccccc3)c2c4c([nH]c5cc(Cl)ccc45)C(=O)NC
    CN6CCOCC6)cc1; c1ccc(cc1)c2c(n(cn2)Cc3cc
    c(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOC
    C6)Cl    		 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide
    19882 BLG
    DB02595    		 16 C16 H30 N3 O14 S2 InChI=1S/C16H29N3O14S2/c1
    -7(22)18-12-13(23)14(33-3
    5(28,29)30)11(6-21)32-16(
    12)31-10-4-8(19-9(10)5-20
    )15(24)17-2-3-34(25,26)27
    /h8-14,16,19-21,23H,2-6H2
    ,1H3,(H,17,24)(H,18,22)(H
    ,25,26,27)(H,28,29,30)/p+
    1/t8-,9+,10-,11+,12+,13+,
    14+,16+/m0/s1;
    RPNZWZDLNYCCIG-HMMVDTEZSA-O    		 CC(=O)NC1C(C(C(OC1OC2CC([NH2+]C2CO)C(=O)
    NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O; CC(=O)N[
    CH]1[CH](O)[CH](O[S](O)(=O)=O)[CH](CO)O[
    CH]1O[CH]2C[CH]([NH2+][CH]2CO)C(=O)NCC[S
    ](O)(=O)=O; CC(=O)N[C@@H]1[C@@H](O)[C@H]
    (O[S](O)(=O)=O)[C@@H](CO)O[C@H]1O[C@H]2C
    [C@H]([NH2+][C@@H]2CO)C(=O)NCC[S](O)(=O)
    =O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C
    @H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)N
    CCS(=O)(=O)O)CO)OS(=O)(=O)O)O; O=S(=O)(O
    )CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1
    NC(=O)C)CO)C(CO)[NH2+]2    		 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE;
    BULGECIN A
    19883 BLI
    CHEMBL18136
    DB02723
    ZINC000015627006    		 1 C22 H32 N6 O5 S InChI=1S/C22H32N6O5S/c23-
    22(25-31)26-10-8-16(9-11-
    26)12-24-21(30)19-7-6-18-
    13-27(14-20(29)28(18)19)3
    4(32,33)15-17-4-2-1-3-5-1
    7/h1-5,16,18-19,31H,6-15H
    2,(H2,23,25)(H,24,30)/t18
    -,19-/m0/s1;
    DHTSUHWLPAEEQB-OALUTQOASA-N    		 c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H]
    (N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N; NC(
    =NO)N1CC[CH](CC1)CNC(=O)[CH]2CC[CH]3CN(C
    C(=O)N23)[S](=O)(=O)Cc4ccccc4; NC(=N/O)/
    N1CC[C@@H](CC1)CNC(=O)[C@@H]2CC[C@H]3CN(
    CC(=O)N23)[S](=O)(=O)Cc4ccccc4; c1ccc(cc
    1)CS(=O)(=O)N2CC3CCC(N3C(=O)C2)C(=O)NCC4
    CCN(CC4)C(=NO)N; O=S(=O)(N3CC(=O)N2C(C(=
    O)NCC1CCN(C(=N\O)/N)CC1)CCC2C3)Cc4ccccc4    		 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE
    19884 BLJ 4 C5 H12 As N O4 InChI=1S/C5H12AsNO4/c1-6(
    10,11)3-2-4(7)5(8)9/h4H,2
    -3,7H2,1H3,(H,8,9)(H,10,1
    1)/t4-/m0/s1;
    CXTQPLOKUBDLTK-BYPYZUCNSA-N    		 C[As](O)(=O)CC[C@H](N)C(O)=O; [As](CCC(C
    (=O)O)N)(=O)(O)C; C[As](O)(=O)CC[CH](N)C
    (O)=O; C[As](=O)(CCC(C(=O)O)N)O; C[As](=
    O)(CC[C@@H](C(=O)O)N)O    		 (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
    19885 BLK
    ZINC000098208702    		 2 C21 H34 N7 O10 P InChI=1S/C21H34N7O10P/c1-
    21(2,3)37-20(32)24-7-5-4-
    6-11(22)19(31)38-39(33,34
    )35-8-12-14(29)15(30)18(3
    6-12)28-10-27-13-16(23)25
    -9-26-17(13)28/h9-12,14-1
    5,18,29-30H,4-8,22H2,1-3H
    3,(H,24,32)(H,33,34)(H2,2
    3,25,26)/t11-,12+,14+,15+
    ,18+/m0/s1;
    XYDQQGDGPLGSGU-URQYDQELSA-N    		 CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)
    OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2n
    cnc3N)O)O)N; CC(C)(C)OC(=O)NCCCCC(C(=O)O
    P(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)
    N; CC(C)(C)OC(=O)NCCCC[CH](N)C(=O)O[P](O
    )(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(
    N)ncnc23; CC(C)(C)OC(=O)NCCCC[C@H](N)C(=
    O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)n2cnc3c(N)ncnc23; O=C(OC(C)(C)C)NCC
    CCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3O    		 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
    19886 BLL
    DB02704
    ZINC000003964411    		 2 C40 H44 N2 O6 InChI=1S/C40H44N2O6/c43-3
    3-23-27-15-7-9-17-29(27)3
    5(33)41-39(47)31(21-19-25
    -11-3-1-4-12-25)37(45)38(
    46)32(22-20-26-13-5-2-6-1
    4-26)40(48)42-36-30-18-10
    -8-16-28(30)24-34(36)44/h
    1-18,31-38,43-46H,19-24H2
    ,(H,41,47)(H,42,48)/t31-,
    32-,33-,34-,35+,36+,37-,3
    8-/m1/s1;
    GQKBYZPVKVXMJL-LAFNQVRVSA-N    		 c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CC
    c2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)
    O)C(=O)N[C@H]5c6ccccc6C[C@H]5O; O[CH]1Cc
    2ccccc2[CH]1NC(=O)[CH](CCc3ccccc3)[CH](O
    )[CH](O)[CH](CCc4ccccc4)C(=O)N[CH]5[CH](
    O)Cc6ccccc56; O=C(NC2c1ccccc1CC2O)C(CCc3
    ccccc3)C(O)C(O)C(C(=O)NC5c4ccccc4CC5O)CC
    c6ccccc6; c1ccc(cc1)CCC(C(C(C(CCc2ccccc2
    )C(=O)NC3c4ccccc4CC3O)O)O)C(=O)NC5c6cccc
    c6CC5O; O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C
    @H](CCc3ccccc3)[C@@H](O)[C@H](O)[C@@H](C
    Cc4ccccc4)C(=O)N[C@@H]5[C@H](O)Cc6ccccc5
    6    		 (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE
    19887 BLM 39 C55 H85 N17 O21 S3 InChI=1S/C55H85N17O21S3/c
    1-20-33(69-46(72-44(20)58
    )25(12-31(57)76)64-13-24(
    56)45(59)82)50(86)71-35(4
    1(26-14-61-19-65-26)91-54
    -43(39(80)37(78)29(15-73)
    90-54)92-53-40(81)42(93-5
    5(60)88)38(79)30(16-74)89
    -53)51(87)66-22(3)36(77)2
    1(2)47(83)70-34(23(4)75)4
    9(85)63-10-8-32-67-28(18-
    94-32)52-68-27(17-95-52)4
    8(84)62-9-7-11-96(5)6/h14
    ,17-19,21-25,29-30,34-43,
    53-54,64,73-75,77-81,96H,
    7-13,15-16,56H2,1-6H3,(H2
    ,57,76)(H2,59,82)(H2,60,8
    8)(H,61,65)(H,62,84)(H,63
    ,85)(H,66,87)(H,70,83)(H,
    71,86)(H2,58,69,72)/t21-,
    22+,23+,24-,25-,29-,30+,3
    4-,35-,36-,37+,38+,39-,40
    -,41-,42-,43-,53+,54-/m0/
    s1;
    ZGCQRJQBETWECF-UAPAGMARSA-N    		 C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)
    NC(=O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N
    )=O)NC[CH](N)C(N)=O)[CH](O[CH]2O[CH](CO)
    [CH](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O
    )[CH](OC(N)=O)[CH]3O)c4c[nH]cn4)C(=O)NCC
    c5scc(n5)c6scc(n6)C(=O)NCCC[SH](C)C; O=C
    (N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC
    (C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C
    (=O)NCCCS(C)C)cs3)C(O)C)C)C(OC5OC(CO)C(O
    )C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc
    6)C)CC(=O)N; Cc1c(nc(nc1N)C(CC(=O)N)NCC(
    C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3C(C(C(C
    (O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)
    C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5
    nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O; Cc1c(n
    c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C
    (=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H
    ]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4
    [C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N
    )O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@
    @H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6
    )C(=O)NCCCS(C)C)O; C[C@@H](O)[C@H](NC(=O
    )[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](
    NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H
    ](N)C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@
    @H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C
    @@H](O)[C@H](OC(N)=O)[C@@H]3O)c4c[nH]cn4
    )C(=O)NCCc5scc(n5)c6scc(n6)C(=O)NCCC[SH]
    (C)C    		 BLEOMYCIN A2;
    N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE
    19888 BLN
    CHEMBL153813
    DB03767
    ZINC000006616189    		 1 C21 H30 N4 O4 InChI=1S/C21H30N4O4/c1-16
    (2)12-19(24-21(27)25-8-10
    -28-11-9-25)20(26)23-18(1
    3-22)15-29-14-17-6-4-3-5-
    7-17/h3-7,16,18-19H,8-12,
    14-15H2,1-2H3,(H,23,26)(H
    ,24,27)/t18-,19+/m1/s1;
    LXEDKIMJQBOMSU-MOPGFXCFSA-N    		 CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](
    COCc2ccccc2)C#N; O=C(NC(C(=O)NC(C#N)COCc
    1ccccc1)CC(C)C)N2CCOCC2; CC(C)C[CH](NC(=
    O)N1CCOCC1)C(=O)N[CH](COCc2ccccc2)C#N; C
    C(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N
    )NC(=O)N2CCOCC2; CC(C)CC(C(=O)NC(COCc1cc
    ccc1)C#N)NC(=O)N2CCOCC2    		 MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
    19889 BLO
    ZINC000004096233    		 5 C17 H25 N7 O6 InChI=1S/C17H25N7O6/c1-23
    (16(19)20)6-4-9(18)8-12(2
    6)21-10-2-3-13(30-14(10)1
    5(27)28)24-7-5-11(25)22-1
    7(24)29/h2-3,5,7,9-10,13-
    14H,4,6,8,18H2,1H3,(H3,19
    ,20)(H,21,26)(H,27,28)(H,
    22,25,29)/t9-,10-,13+,14-
    /m0/s1;
    REIIQZAQCCFGIJ-ZNIXKSQXSA-N    		 [H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=
    C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N
    ; CN(CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1
    C(O)=O)N2C=CC(=NC2=O)O)C(N)=N; [H]N=C(N)
    N(C)CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=
    NC2=O)O)N; O=C1N=C(O)C=CN1C2OC(C(=O)O)C(
    C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C; CN(CC[
    C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(
    O)=O)N2C=CC(=NC2=O)O)C(N)=N    		 1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IMINO)METHYL](METHYL)AMINO}PENTANOYL]AMINO}-2,3,4-TRIDEOXY-D-ERYTHRO-HEX-2-ENOPYRANURONOSYL)-4-HYDROXYPYRIMIDIN-2(1H)-ONE;
    DEAMINOHYDROXY BLASTICIDIN-S
    19890 BLP
    ZINC000016052081    		 2 C17 H20 N5 O9 P InChI=1S/C17H20N5O9P/c1-1
    0-16(24)13(11(6-18-10)9-3
    1-32(28,29)30)7-20-21-15(
    23)8-19-17(25)12-4-2-3-5-
    14(12)22(26)27/h2-6,20,24
    H,7-9H2,1H3,(H,19,25)(H,2
    1,23)(H2,28,29,30);
    AJHNLRARXNOGMZ-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1C(=O)NCC(=O)NNCc2c(c
    nc(c2O)C)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=
    O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O
    -])O; Cc1ncc(CO[P](O)(O)=O)c(CNNC(=O)CNC
    (=O)c2ccccc2[N+]([O-])=O)c1O    		 (5-HYDROXY-6-METHYL-4-((2-(2-(2-NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
    19891 BLQ
    ZINC000100056740    		 4 C17 H15 N3 O6 InChI=1S/C17H15N3O6/c21-1
    4-6-5-12(9-13(14)17(25)26
    )20-19-11-3-1-10(2-4-11)1
    6(24)18-8-7-15(22)23/h1-6
    ,9,19H,7-8H2,(H,18,24)(H,
    22,23)(H,25,26)/b20-12+;
    KONZVQJABTUMFX-UDWIEESQSA-N    		 c1cc(ccc1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=
    C2)C(=O)O; OC(=O)CCNC(=O)c1ccc(N\N=C2/C=
    CC(=O)C(=C2)C(O)=O)cc1; O=C2C=C\C(=N/Nc1
    ccc(C(=O)NCCC(=O)O)cc1)C=C2C(=O)O; c1cc(
    ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2
    )C(=O)O; OC(=O)CCNC(=O)c1ccc(NN=C2C=CC(=
    O)C(=C2)C(O)=O)cc1    		 (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid;
    balsalazide
    19892 BLR
    CHEMBL501680
    ZINC000018007499    		 36 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-14,34-35H,1-2,
    9-12,15H2,3-6H3,(H,36,43)
    (H,37,42)(H,38,39)(H,40,4
    1)/b26-13-,27-14-;
    BPYKTIZUTYGOLE-IFADSCNNSA-N    		 Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c
    (c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(
    =O)O)CCC(=O)O; Cc1c(c([nH]c1/C=C\2/C(=C(
    C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C
    (C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; CC1=
    C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(
    =O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)
    c2C; CC1=C(C=C)C(/NC1=O)=C/c2[nH]c(Cc3[n
    H]c(\C=C4/NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=
    O)c(CCC(O)=O)c2C    		 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;
    Bilirubin IX alpha
    19893 BLS
    CHEMBL476894
    ZINC000003594207    		 8 C17 H26 N8 O5 InChI=1S/C17H26N8O5/c1-24
    (16(20)21)6-4-9(18)8-12(2
    6)22-10-2-3-13(30-14(10)1
    5(27)28)25-7-5-11(19)23-1
    7(25)29/h2-3,5,7,9-10,13-
    14H,4,6,8,18H2,1H3,(H3,20
    ,21)(H,22,26)(H,27,28)(H2
    ,19,23,29)/t9-,10-,13+,14
    -/m0/s1;
    CXNPLSGKWMLZPZ-ZNIXKSQXSA-N    		 CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@
    @H]1C(O)=O)N2C=CC(=NC2=O)N)C(N)=N; [H]/N
    =C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@
    H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N; CN(
    CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1C(O)=
    O)N2C=CC(=NC2=O)N)C(N)=N; [H]N=C(N)N(C)C
    CC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O
    )N)N; O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)
    NC(=O)CC(N)CCN(C(=[N@H])N)C    		 BLASTICIDIN S
    19894 BLT 1 C9 H18 O9 S Se InChI=1S/C9H20O9SSe/c10-1
    -7(18-19(15,16)17)5(12)3-
    20-4-6(13)9(14)8(20)2-11/
    h5-14H,1-4H2,(H2-,15,16,1
    7)/p-2/t5-,6+,7+,8+,9-,20
    +/m0/s1;
    WLNWUNIGATZIKW-KNCZUUIASA-L    		 C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@
    @H](CO)OS([O-])([O-])[O-])O)CO)O)O; OC[C
    @@H](O[S]([O-])([O-])[O-])[C@@H](O)C[Se@
    +]1C[C@@H](O)[C@H](O)[C@H]1CO; [O-]S([O-
    ])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1
    ; C1C(C(C([Se+]1CC(C(CO)OS([O-])([O-])[O
    -])O)CO)O)O; OC[CH](O[S]([O-])([O-])[O-]
    )[CH](O)C[Se+]1C[CH](O)[CH](O)[CH]1CO    		 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT;
    DIASTEREOMER OF SELENO-SALACINOL
    19895 BLV
    DB02864
    ZINC000014880505    		 5 C33 H34 N4 O6 InChI=1S/C33H34N4O6/c1-7-
    20-16(3)24(13-26-18(5)22(
    32(42)36-26)9-11-30(38)39
    )34-28(20)14-25-17(4)21(8
    -2)29(35-25)15-27-19(6)23
    (33(43)37-27)10-12-31(40)
    41/h7-8,13-15,34-35H,1-2,
    9-12H2,3-6H3,(H,36,42)(H,
    38,39)(H,40,41)/b25-14-,2
    6-13-,29-15-;
    ISQGGWQAVOHBFX-BGSBWKAWSA-N    		 CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(
    =CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(
    C=C)c2C; Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C
    CC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4
    C)CCC(=O)O)N3)C=C)C)C=C; CC1=C(CCC(O)=O)
    C(=O)N\C1=C/c2[nH]c(\C=C3/N/C(=C\C4=NC(=
    O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C;
    Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C
    )C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N
    3)C=C)C)C=C    		 BILIVERDIN IX GAMMA CHROMOPHORE
    19896 BLY 0 C5 H16 B N2 O2 InChI=1S/C5H15BN2O2/c7-4-
    2-1-3-5(8)6(9)10/h5,9-10H
    ,1-4,7-8H2/p+1/t5-/m0/s1;
    PZVAGZRLDYQMPS-YFKPBYRVSA-O    		 N[C@@H](CCCC[NH3+])B(O)O; B([C@H](CCCC[N
    H3+])N)(O)O; N[CH](CCCC[NH3+])B(O)O; B(C
    (CCCC[NH3+])N)(O)O; OB(O)C(N)CCCC[NH3+]    		 LYSINE BORONIC ACID
    19897 BLZ
    CHEMBL222419
    DB07471
    ZINC000016052682    		 2 C22 H20 Cl N3 O4 S InChI=1S/C22H20ClN3O4S/c1
    -12(13-6-4-5-7-14(13)23)3
    0-19-10-20(31-21(19)22(24
    )27)26-11-25-15-8-17(28-2
    )18(29-3)9-16(15)26/h4-12
    H,1-3H3,(H2,24,27)/t12-/m
    1/s1;
    UHCHLTQBLNUYRT-GFCCVEGCSA-N    		 CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc
    (c(c4)OC)OC; Clc1ccccc1C(Oc4c(sc(n3cnc2c
    c(OC)c(OC)cc23)c4)C(=O)N)C; C[C@H](c1ccc
    cc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC
    )OC; COc1cc2ncn(c3sc(C(N)=O)c(O[C@H](C)c
    4ccccc4Cl)c3)c2cc1OC; COc1cc2ncn(c3sc(C(
    N)=O)c(O[CH](C)c4ccccc4Cl)c3)c2cc1OC    		 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE
    19898 BM0
    CHEMBL1198608
    ZINC000015783059    		 38 C8 H15 N2 InChI=1S/C8H15N2/c1-3-4-5
    -10-7-6-9(2)8-10/h6-8H,3-
    5H2,1-2H3/q+1;
    IQQRAVYLUAZUGX-UHFFFAOYSA-N    		 C(C)CCn1cc[n+](c1)C; CCCCn1cc[n+](C)c1;
    CCCCn1cc[n+](c1)C    		 1-butyl-3-methyl-1H-imidazol-3-ium;
    1-butyl-3-methylimidazolium
    19899 BM1
    CHEMBL430639
    DB07472
    ZINC000003871749    		 1 C17 H15 N O S InChI=1S/C17H15NOS/c1-12-
    5-4-6-13(11-12)17-15-8-3-
    2-7-14(15)16(19)18(17)9-1
    0-20-17/h2-8,11H,9-10H2,1
    H3/t17-/m1/s1;
    FQVDJZWFSZSGGA-QGZVFWFLSA-N    		 O=C2c1c(cccc1)C3(SCCN23)c4cccc(c4)C; Cc1
    cccc(c1)C23c4ccccc4C(=O)N2CCS3; Cc1cccc(
    c1)[C@@]23c4ccccc4C(=O)N2CCS3; Cc1cccc(c
    1)[C]23SCCN2C(=O)c4ccccc34; Cc1cccc(c1)[
    C@]23SCCN2C(=O)c4ccccc34    		 (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE;
    BM+21.1326
    19900 BM2
    CHEMBL138783
    ZINC000003831642    		 1 C23 H32 N6 O5 S InChI=1S/C23H32N6O5S/c24-
    23(25)26-11-3-8-21(31)27-
    14-18-7-4-12-29(18)22(32)
    20(15-30)28-35(33,34)19-1
    0-9-16-5-1-2-6-17(16)13-1
    9/h1-2,5-6,9-10,13,18,20,
    28,30H,3-4,7-8,11-12,14-1
    5H2,(H,27,31)(H4,24,25,26
    )/t18-,20-/m0/s1;
    NTVCMEJZWNSEFW-ICSRJNTNSA-N    		 O=C(N1C(CNC(=O)CCCNC(=[N@H])N)CCC1)C(NS(
    =O)(=O)c3cc2ccccc2cc3)CO; NC(=N)NCCCC(=O
    )NC[C@@H]1CCCN1C(=O)[C@H](CO)N[S](=O)(=O
    )c2ccc3ccccc3c2; c1ccc2cc(ccc2c1)S(=O)(=
    O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCN
    C(=N)N; NC(=N)NCCCC(=O)NC[CH]1CCCN1C(=O)
    [CH](CO)N[S](=O)(=O)c2ccc3ccccc3c2; c1cc
    c2cc(ccc2c1)S(=O)(=O)NC(CO)C(=O)N3CCCC3C
    NC(=O)CCCNC(=N)N    		 S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE;
    BMS-186282
    19901 BM3
    CHEMBL1231391
    ZINC000004096030    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5+,6-,7
    -,8+/m1/s1;
    OVRNDRQMDRJTHS-UOLFYFMNSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@
    H]1O)CO)O)O; CC(=O)N[C@@H]1[C@@H](O)O[C@
    H](CO)[C@@H](O)[C@@H]1O; O=C(NC1C(O)C(O)
    C(OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-alpha-D-mannopyranose;
    N-acetyl-alpha-D-mannosamine;
    2-acetamido-2-deoxy-alpha-D-mannose;
    2-acetamido-2-deoxy-D-mannose;
    2-acetamido-2-deoxy-mannose;
    2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANNOPYRANOSE
    19902 BM4
    ZINC000038995991    		 1 C37 H58 N2 O2 InChI=1S/C37H58N2O2/c1-3-
    36(32-18-16-20-34(40)28-3
    2)22-10-14-26-38(30-36)24
    -12-8-6-5-7-9-13-25-39-27
    -15-11-23-37(4-2,31-39)33
    -19-17-21-35(41)29-33/h16
    -21,28-29,40-41H,3-15,22-
    27,30-31H2,1-2H3/t36-,37+;
    ZZKZUUMHRSWLQQ-JXLNJXQWSA-N    		 CC[C]1(CCCCN(CCCCCCCCCN2CCCC[C](CC)(C2)c
    3cccc(O)c3)C1)c4cccc(O)c4; CC[C@]1(CCCCN
    (CCCCCCCCCN2CCCC[C@@](CC)(C2)c3cccc(O)c3
    )C1)c4cccc(O)c4; CCC1(CCCCN(C1)CCCCCCCCC
    N2CCCCC(C2)(CC)c3cccc(c3)O)c4cccc(c4)O;
    CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C
    @](C2)(CC)c3cccc(c3)O)c4cccc(c4)O; Oc1cc
    cc(c1)C2(CC)CCCCN(C2)CCCCCCCCCN4CCCCC(c3
    cccc(O)c3)(CC)C4    		 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
    19903 BM5
    DB07473
    ZINC000003871752    		 1 C18 H15 N O3 S InChI=1S/C18H15NO3S/c1-22
    -17(21)15-11-23-18(12-7-3
    -2-4-8-12)14-10-6-5-9-13(
    14)16(20)19(15)18/h2-10,1
    5H,11H2,1H3/t15-,18+/m0/s
    1;
    JYIHODAXBBPFQF-MAUKXSAKSA-N    		 COC(=O)[CH]1CS[C]2(N1C(=O)c3ccccc23)c4cc
    ccc4; COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3ccc
    cc23)c4ccccc4; COC(=O)C1CSC2(N1C(=O)c3c2
    cccc3)c4ccccc4; O=C2c1c(cccc1)C3(SCC(N23
    )C(=O)OC)c4ccccc4; COC(=O)[C@@H]1CS[C@]2
    (N1C(=O)c3c2cccc3)c4ccccc4    		 (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER;
    BM +50.0934
    19904 BM6 7 C24 H27 O4 InChI=1S/C24H28O4/c1-22(2
    )11-12-23(3,4)20-15-18(9-
    10-19(20)22)24(27-13-14-2
    8-24)17-7-5-16(6-8-17)21(
    25)26/h5-10,15H,11-14H2,1
    -4H3,(H,25,26)/p-1;
    ZZUKALQMHNSWTK-UHFFFAOYSA-M    		 [O-]C(=O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C
    (C)(C)CCC4(C)C; CC1(C)CCC(C)(C)c2cc(ccc1
    2)C3(OCCO3)c4ccc(cc4)C([O-])=O; CC1(CCC(
    c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])
    (C)C)C    		 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID;
    BMS649
    19905 BM7
    ZINC000004228290    		 1 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5+,6-,7
    -,8-/m1/s1;
    OVRNDRQMDRJTHS-OZRXBMAMSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; C1(OC(C(C(C1NC(=O)C)O)O)CO)O; CC(=O)N
    [C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
    ; CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H]
    (O)[C@@H]1O; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-mannopyranose;
    N-acetyl-beta-D-mannosamine;
    2-acetamido-2-deoxy-beta-D-mannose;
    2-acetamido-2-deoxy-D-mannose;
    2-acetamido-2-deoxy-mannose;
    2-(acetylamino)-2-deoxy-beta-D-mannopyranose
    19906 BM8
    CHEMBL11825
    ZINC000000006701    		 2 C14 H12 N2 S InChI=1S/C14H12N2S/c1-9-8
    -10(6-7-11(9)15)14-16-12-
    4-2-3-5-13(12)17-14/h2-8H
    ,15H2,1H3;
    IDBCUMFOZBUJCL-UHFFFAOYSA-N    		 Cc1cc(ccc1N)c2sc3ccccc3n2; Cc1cc(ccc1N)c
    2nc3ccccc3s2    		 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline
    19907 BM9
    CHEMBL138877
    ZINC000003831647    		 1 C25 H34 N6 O5 S InChI=1S/C25H34N6O5S/c26-
    25(27)30-11-3-7-19(15-30)
    23(33)28-14-20-8-4-12-31(
    20)24(34)22(16-32)29-37(3
    5,36)21-10-9-17-5-1-2-6-1
    8(17)13-21/h1-2,5-6,9-10,
    13,19-20,22,29,32H,3-4,7-
    8,11-12,14-16H2,(H3,26,27
    )(H,28,33)/t19-,20-,22-/m
    0/s1;
    JWNJPEKBZMEXIU-ONTIZHBOSA-N    		 c1ccc2cc(ccc2c1)S(=O)(=O)NC(CO)C(=O)N3CC
    CC3CNC(=O)C4CCCN(C4)C(=N)N; O=C(N2C(CNC(
    =O)C1CCCN(C(=[N@H])N)C1)CCC2)C(NS(=O)(=O
    )c4cc3ccccc3cc4)CO; NC(=N)N1CCC[CH](C1)C
    (=O)NC[CH]2CCCN2C(=O)[CH](CO)N[S](=O)(=O
    )c3ccc4ccccc4c3; NC(=N)N1CCC[C@@H](C1)C(
    =O)NC[C@@H]2CCCN2C(=O)[C@H](CO)N[S](=O)(
    =O)c3ccc4ccccc4c3; [H]/N=C(\N)/N1CCC[C@@
    H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)N
    S(=O)(=O)c3ccc4ccccc4c3    		 [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA MIDE;
    BMS-189090
    19908 BMA
    ZINC000003830679    		 1476 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4+,5+,6-/m
    1/s1;
    WQZGKKKJIJFFOK-RWOPYEJCSA-N    		 OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@
    H]1O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O
    [CH](O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C
    @H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O; O
    C1C(O)C(OC(O)C1O)CO    		 beta-D-mannopyranose;
    beta-D-mannose;
    D-mannose;
    mannose
    19909 BMB
    CHEMBL575256
    ZINC000049695594    		 4 C37 H47 N5 O3 InChI=1S/C37H47N5O3/c1-3-
    31(38-2)35(43)41-34-29(23
    -24-39-25-26-13-7-4-8-14-
    26)19-20-30-21-22-32(42(3
    0)37(34)45)36(44)40-33(27
    -15-9-5-10-16-27)28-17-11
    -6-12-18-28/h4-18,29-34,3
    8-39H,3,19-25H2,1-2H3,(H,
    40,44)(H,41,43)/t29-,30+,
    31+,32+,34+/m1/s1;
    NVNDSZWHCFDEAR-UCDLYESDSA-N    		 CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@
    H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNC
    c5ccccc5)NC; CC[CH](NC)C(=O)N[CH]1[CH](C
    CNCc2ccccc2)CC[CH]3CC[CH](N3C1=O)C(=O)NC
    (c4ccccc4)c5ccccc5; CCC(C(=O)NC1C(CCC2CC
    C(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc
    5ccccc5)NC; CC[C@H](NC)C(=O)N[C@H]1[C@@H
    ](CCNCc2ccccc2)CC[C@H]3CC[C@H](N3C1=O)C(
    =O)NC(c4ccccc4)c5ccccc5; O=C(NC(c1ccccc1
    )c2ccccc2)C4N3C(=O)C(NC(=O)C(NC)CC)C(CCC
    3CC4)CCNCc5ccccc5    		 (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
    19910 BMC
    ZINC000026420154    		 4 C12 H10 N2 O4 InChI=1S/C12H10N2O4/c1-14
    -9(12(15)16)5-8(13-14)7-2
    -3-10-11(4-7)18-6-17-10/h
    2-5H,6H2,1H3,(H,15,16);
    OFBLUTIPOCAQPA-UHFFFAOYSA-N    		 Cn1nc(cc1C(O)=O)c2ccc3OCOc3c2; O=C(O)c1c
    c(nn1C)c2ccc3OCOc3c2; Cn1c(cc(n1)c2ccc3c
    (c2)OCO3)C(=O)O    		 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
    19911 BMD
    CHEMBL1231396
    DB02121
    ZINC000001586734    		 8 C4 H9 N O InChI=1S/C4H9NO/c1-2-3-4(
    5)6/h2-3H2,1H3,(H2,5,6);
    DNSISZSEWVHGLH-UHFFFAOYSA-N    		 O=C(N)CCC; CCCC(=O)N; CCCC(N)=O BUTYRAMIDE
    19912 BME
    CHEMBL254951
    DB03345
    ZINC000008216595    		 15 C2 H6 O S InChI=1S/C2H6OS/c3-1-2-4/
    h3-4H,1-2H2;
    DGVVWUTYPXICAM-UHFFFAOYSA-N    		 C(CS)O; OCCS BETA-MERCAPTOETHANOL
    19913 BMF
    CHEMBL3133807
    ZINC000095616589    		 28 C17 H20 N6 O4 S InChI=1S/C17H20N6O4S/c1-5
    -27-17(24)18-15-9-14(21-2
    3-11(3)19-20-16(15)23)12-
    7-6-10(2)13(8-12)22-28(4,
    25)26/h6-9,22H,5H2,1-4H3,
    (H,18,24);
    UYBRROMMFMPJAN-UHFFFAOYSA-N    		 CCOC(=O)Nc1cc(nn2c(C)nnc12)c3ccc(C)c(N[S
    ](C)(=O)=O)c3; c1(ccc(C)c(c1)NS(=O)(C)=O
    )c2nn3c(c(NC(OCC)=O)c2)nnc3C; CCOC(=O)Nc
    1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C    		 Bromosporine;
    ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate
    19914 BMG 5 C15 H20 N4 O4 S InChI=1S/C15H20N4O4S/c1-8
    -12(11(5-20)9(2)21)17-13(
    15(22)23)14(8)24-10-3-18-
    6-16-7-19(18)4-10/h5-12,1
    7,21H,3-4H2,1-2H3/t8-,9-,
    11-,12-/m1/s1;
    FXUMZXFCLFWWAR-CNVPUSNMSA-N    		 C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2Cn3cnc
    [n+]3C2)[CH]1C)C([O-])=O; CC1C(NC(=C1SC2
    Cn3cnc[n+]3C2)C(=O)[O-])C(C=O)C(C)O; O=C
    C(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1
    C2)C3C; C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3
    cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)
    O; C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C
    @@H]2Cn3cnc[n+]3C2)[C@@H]1C)C([O-])=O    		 (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1H-pyrrole-2-carboxylate;
    (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4- methyl-4,5-dihydro-1H-pyrrole-2-carboxylate
    19915 BMH 1 C15 H22 N4 O5 S InChI=1S/C15H22N4O5S/c1-7
    -11(10(8(2)20)14(21)22)17
    -12(15(23)24)13(7)25-9-3-
    18-5-16-6-19(18)4-9/h5-11
    ,15,17,20,23H,3-4H2,1-2H3
    ,(H,21,22)/t7-,8-,10-,11-
    ,15-/m1/s1;
    GJACIOMQYIQIKX-FGOODDOWSA-N    		 C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]
    3C2)[CH]1C)[CH](O)[O-])C(O)=O; CC1C(NC(=
    C1SC2Cn3cnc[n+]3C2)C(O)[O-])C(C(C)O)C(=O
    )O; O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1
    C2)C3C)C([O-])O; C[C@@H](O)[C@H]([C@@H]1
    NC(=C(S[C@H]2Cn3cnc[n+]3C2)[C@@H]1C)[C@H
    ](O)[O-])C(O)=O; C[C@@H]1[C@@H](NC(=C1S[
    C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H
    ](C)O)C(=O)O    		 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER SALT, (4R-(4ALPHA,5BETA,6BETA(R*)))-;
    BIAPENEM (HYDLYZED)
    19916 BMI
    CHEMBL397666
    DB07474
    ZINC000016052301    		 1 C22 H19 N7 O InChI=1S/C22H19N7O/c1-14-
    10-16(29-9-8-23-13-29)11-
    18-20(14)28-21(27-18)19-1
    7(5-7-25-22(19)30)26-12-1
    5-4-2-3-6-24-15/h2-11,13H
    ,12H2,1H3,(H,27,28)(H2,25
    ,26,30);
    GLTRPHMPCVLOJS-UHFFFAOYSA-N    		 Cc1cc(cc2nc([nH]c12)C3=C(NCc4ccccn4)C=CN
    C3=O)n5ccnc5; O=C2NC=CC(NCc1ncccc1)=C2c5
    nc3c(c(cc(c3)n4ccnc4)C)n5; Cc1cc(cc2c1[n
    H]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5    		 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE
    19917 BMJ
    ZINC000002037243    		 2 C15 H30 O2 InChI=1S/C15H30O2/c1-3-14
    (2)12-10-8-6-4-5-7-9-11-1
    3-15(16)17/h14H,3-13H2,1-
    2H3,(H,16,17)/t14-/m1/s1;
    XKLJLHAPJBUBNL-CQSZACIVSA-N    		 CCC(C)CCCCCCCCCCC(=O)O; CC[C@@H](C)CCCCC
    CCCCCC(O)=O; CC[CH](C)CCCCCCCCCCC(O)=O;
    CC[C@@H](C)CCCCCCCCCCC(=O)O; C(CC(CC)C)C
    CCCCCCCC(O)=O    		 (12R)-12-methyltetradecanoic acid
    19918 BMK
    CHEMBL284237
    DB20240
    ZINC000025757829    		 6 C16 H15 N InChI=1S/C16H15N/c1-16-13
    -8-4-2-6-11(13)10-15(17-1
    6)12-7-3-5-9-14(12)16/h2-
    9,15,17H,10H2,1H3/t15-,16
    +/m1/s1;
    LBOJYSIDWZQNJS-CVEARBPZSA-N    		 C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4; CC
    23c1c(cccc1)CC(N2)c4ccccc34; CC12c3ccccc
    3CC(N1)c4c2cccc4; C[C]12N[CH](Cc3ccccc13
    )c4ccccc24; C[C@]12N[C@H](Cc3ccccc13)c4c
    cccc24    		 (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
    19919 BML
    CHEMBL57284
    ZINC000000404316    		 47 C6 H5 Br O InChI=1S/C6H5BrO/c7-5-1-3
    -6(8)4-2-5/h1-4,8H;
    GZFGOTFRPZRKDS-UHFFFAOYSA-N    		 Brc1ccc(O)cc1; c1cc(ccc1O)Br; Oc1ccc(Br)
    cc1    		 4-BROMOPHENOL
    19920 BMM
    CHEMBL48339    		 1 C H3 Br InChI=1S/CH3Br/c1-2/h1H3;
    GZUXJHMPEANEGY-UHFFFAOYSA-N    		 BrC; CBr BROMOMETHANE
    19921 BMN
    ZINC000098208703    		 0 C16 H19 O7 P InChI=1S/C16H19O7P/c1-21-
    14-7-11-5-3-2-4-10(11)6-1
    2(14)15-8-13(17)16(23-15)
    9-22-24(18,19)20/h2-7,13,
    15-17H,8-9H2,1H3,(H2,18,1
    9,20)/t13-,15+,16+/m0/s1;
    CYEAIBNOGXXKTF-NUEKZKHPSA-N    		 COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)C
    OP(=O)(O)O)O; O=P(O)(OCC3OC(c2cc1ccccc1c
    c2OC)CC3O)O; COc1cc2ccccc2cc1[CH]3C[CH](
    O)[CH](CO[P](O)(O)=O)O3; COc1cc2ccccc2cc
    1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3;
    COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)O)O    		 (1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol
    19922 BMO
    CHEMBL290527
    ZINC000005432478    		 0 C32 H31 N5 InChI=1S/C32H31N5/c1-5-15
    -27-23(11-1)31(24-12-2-6-
    16-28(24)36-27)34-21-9-19
    -33-20-10-22-35-32-25-13-
    3-7-17-29(25)37-30-18-8-4
    -14-26(30)32/h1-8,11-18,3
    3H,9-10,19-22H2,(H,34,36)
    (H,35,37);
    WGBHBVVVCBOHMA-UHFFFAOYSA-N    		 C(CNCCCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc
    5nc6ccccc46; c1ccc2c(c1)c(c3ccccc3n2)NCC
    CNCCCNc4c5ccccc5nc6c4cccc6; n2c1c(cccc1)
    c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cc
    cc6    		 N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE;
    1,3-PROPANEDIAMINE;
    N-9-ACRIDINYL-N -[3-(9-ACRIDINYLAMINO)PROPYL]
    19923 BMP
    CHEMBL383923
    DB02890
    ZINC000024479522    		 220 C9 H13 N2 O10 P InChI=1S/C9H13N2O10P/c12-
    4-1-5(13)11(9(16)10-4)8-7
    (15)6(14)3(21-8)2-20-22(1
    7,18)19/h1,3,6-8,13-15H,2
    H2,(H,10,12,16)(H2,17,18,
    19)/t3-,6-,7-,8-/m1/s1;
    UDOBICLZEKUKCV-YXZULKJRSA-N    		 C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(=O)(O)O)O)O)O; C1=C(N(C(=O)NC
    1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)O; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)N
    C(=O)C=C2O; O[C@H]1[C@@H](O)[C@@H](O[C@@
    H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O; O=C
    1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)
    O    		 6-HYDROXYURIDINE-5'-PHOSPHATE
    19924 BMQ
    CHEMBL1231399
    DB03668
    ZINC000001559604    		 44 C9 H13 N2 O10 P InChI=1S/C9H13N2O10P/c12-
    4-1-5(13)11(9(16)10-4)8-7
    (15)6(14)3(21-8)2-20-22(1
    7,18)19/h3,6-8,14-15H,1-2
    H2,(H,10,12,16)(H2,17,18,
    19)/t3-,6-,7-,8-/m1/s1;
    AODYJUNLDJOADV-YXZULKJRSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2C(=O)CC(=O)NC2=O; O[CH]1[CH](O)[C
    H](O[CH]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=
    O; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(
    O)C2O; C1C(=O)NC(=O)N(C1=O)C2C(C(C(O2)CO
    P(=O)(O)O)O)O; C1C(=O)NC(=O)N(C1=O)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O    		 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID
    19925 BMR 1 C16 H21 O13 P3 InChI=1S/C16H21O13P3/c1-2
    5-14-7-11-5-3-2-4-10(11)6
    -12(14)15-8-13(17)16(27-1
    5)9-26-31(21,22)29-32(23,
    24)28-30(18,19)20/h2-7,13
    ,15-17H,8-9H2,1H3,(H,21,2
    2)(H,23,24)(H2,18,19,20)/
    p-4/t13-,15+,16+/m0/s1;
    OYLYLYUMXXAEFZ-NUEKZKHPSA-J    		 COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](
    O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3; COc1cc
    2ccccc2cc1[C@H]3C[C@H](O)[C@@H](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)O3; COc1cc2c
    cccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O
    )OP(=O)(O)OP(=O)(O)O)O; COc1cc2ccccc2cc1
    C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)
    O    		 ((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate;
    dNaM-Triphosphate
    19926 BMS 2 C29 H26 N2 O3 InChI=1S/C29H26N2O3/c1-29
    (2)14-13-23(21-15-19-5-3-
    4-6-26(19)30-17-21)24-16-
    20(9-12-25(24)29)27(32)31
    -22-10-7-18(8-11-22)28(33
    )34/h3-12,15-17,23H,13-14
    H2,1-2H3,(H,31,32)(H,33,3
    4);
    WBEIHCAWTAWTBK-UHFFFAOYSA-N    		 CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)
    O)c4cc5ccccc5nc4)C; O=C(O)c1ccc(cc1)NC(=
    O)c2ccc5c(c2)C(c3cc4ccccc4nc3)CCC5(C)C;
    CC1(C)CC[CH](c2cnc3ccccc3c2)c4cc(ccc14)C
    (=O)Nc5ccc(cc5)C(O)=O; CC1(C)CC[C@H](c2c
    nc3ccccc3c2)c4cc(ccc14)C(=O)Nc5ccc(cc5)C
    (O)=O    		 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID
    19927 BMT
    CHEMBL1231401    		 0 C10 H19 N O3 InChI=1S/C10H19NO3/c1-4-5
    -6-7(2)9(12)8(11-3)10(13)
    14/h4-5,7-9,11-12H,6H2,1-
    3H3,(H,13,14)/b5-4+/t7-,8
    +,9-/m1/s1;
    AHQFCPOIMVMDEZ-UNISNWAASA-N    		 C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O
    ; CN[CH]([CH](O)[CH](C)CC=CC)C(O)=O; O=C
    (O)C(NC)C(O)C(C/C=C/C)C; CN[C@@H]([C@H](
    O)[C@H](C)C\C=C\C)C(O)=O; CC=CCC(C)C(C(C
    (=O)O)NC)O    		 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
    19928 BMU
    CHEMBL87277
    DB02277
    ZINC000000165878    		 6 C15 H19 Cl N4 O InChI=1S/C15H19ClN4O/c1-1
    5(2,3)12-9-13(20(4)19-12)
    18-14(21)17-11-7-5-10(16)
    6-8-11/h5-9H,1-4H3,(H2,17
    ,18,21);
    FWIJKWMXNHRSRO-UHFFFAOYSA-N    		 O=C(Nc1cc(nn1C)C(C)(C)C)Nc2ccc(Cl)cc2; C
    C(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl;
    Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C    		 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA
    19929 BMV
    CHEMBL351706
    DB12234
    ZINC000003925649    		 1 C25 H23 N5 O2 S2 InChI=1S/C25H23N5O2S2/c26
    -13-20-8-9-24-21(11-20)15
    -30(34(31,32)25-7-4-10-33
    -25)23(12-19-5-2-1-3-6-19
    )17-29(24)16-22-14-27-18-
    28-22/h1-11,14,18,23H,12,
    15-17H2,(H,27,28)/t23-/m1
    /s1;
    OLCWFLWEHWLBTO-HSZRJFAPSA-N    		 O=[S](=O)(N1Cc2cc(ccc2N(C[C@H]1Cc3ccccc3
    )Cc4c[nH]cn4)C#N)c5sccc5; O=[S](=O)(N1Cc
    2cc(ccc2N(C[CH]1Cc3ccccc3)Cc4c[nH]cn4)C#
    N)c5sccc5; c1ccc(cc1)CC2CN(c3ccc(cc3CN2S
    (=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5; O=S(=O)
    (N3C(Cc1ccccc1)CN(c2ccc(C#N)cc2C3)Cc4ncn
    c4)c5sccc5; c1ccc(cc1)C[C@@H]2CN(c3ccc(c
    c3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5    		 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE;
    BMS-214662
    19930 BMW
    CHEMBL1684988
    ZINC000066074541    		 1 C23 H22 N6 O2 InChI=1S/C23H22N6O2/c30-1
    7-3-1-2-15(12-17)21-18-6-
    7-29(16-4-5-19-20(13-16)2
    5-14-24-19)22(18)27-23(26
    -21)28-8-10-31-11-9-28/h1
    -5,12-14,30H,6-11H2,(H,24
    ,25);
    NBBUAPYZXMAOGM-UHFFFAOYSA-N    		 Oc1cccc(c1)c2nc(nc3N(CCc23)c4ccc5[nH]cnc
    5c4)N6CCOCC6; c1cc(cc(c1)O)c2c3c(nc(n2)N
    4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6; n1c4c(
    c(nc1N2CCOCC2)c3cccc(O)c3)CCN4c6ccc5ncnc
    5c6    		 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
    19931 BMX 20 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h4-8,
    11-13H,2H2,1H3,(H,9,10)(H
    2,14,15,16)/t4-,5+,6-,7-,
    8+/m1/s1;
    BRGMHAYQAZFZDJ-UOLFYFMNSA-N    		 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1
    O)COP(=O)(O)O)O)O; CC(=O)N[CH]1[CH](O)O[
    CH](CO[P](O)(O)=O)[CH](O)[CH]1O; CC(=O)N
    [C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; CC(=O)NC1C(C(C(OC1O)COP(
    =O)(O)O)O)O; O=P(O)(O)OCC1OC(O)C(NC(=O)C
    )C(O)C1O    		 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose;
    2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE;
    N-acetyl-6-O-phosphono-alpha-D-mannosamine;
    2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannose;
    2-acetamido-2-deoxy-6-O-phosphono-D-mannose;
    2-acetamido-2-deoxy-6-O-phosphono-mannose
    19932 BMZ
    DB02287    		 6 C14 H13 N4 O InChI=1S/C14H12N4O/c15-13
    (16)8-5-6-10-11(7-8)18-14
    (17-10)9-3-1-2-4-12(9)19/
    h1-7,19H,(H3,15,16)(H,17,
    18)/p+1;
    URJKRCBBKTXOHS-UHFFFAOYSA-O    		 Oc3ccccc3c2nc1cc(ccc1n2)\C(=[NH2+])N; c1
    ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O
    ; NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3O    		 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
    19933 BN1 3 C8 H10 N6 O4 InChI=1S/C8H10N6O4/c1-14-
    11-6(10-13-14)5-3(7(15)12
    -18-5)2-4(9)8(16)17/h4H,2
    ,9H2,1H3,(H,12,15)(H,16,1
    7);
    YXLQKZHKWIKJKC-UHFFFAOYSA-N    		 O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C; Cn1nnc(
    n1)c2onc(O)c2CC(N)C(O)=O; Cn1nc(nn1)c2c(
    c(no2)O)CC(C(=O)O)N    		 (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID;
    2-ME-TET-AMPA
    19934 BN2
    DB04642
    ZINC000012504445    		 1 C21 H21 Cl3 N2 O5 InChI=1S/C21H21Cl3N2O5/c2
    2-15-8-5-4-7-14(15)20(29)
    26-21(30)25-13-11-16(23)1
    9(17(24)12-13)31-10-6-2-1
    -3-9-18(27)28/h4-5,7-8,11
    -12H,1-3,6,9-10H2,(H,27,2
    8)(H2,25,26,29,30);
    XQTOWNDCHQJXOQ-UHFFFAOYSA-N    		 OC(=O)CCCCCCOc1c(Cl)cc(NC(=O)NC(=O)c2ccc
    cc2Cl)cc1Cl; Clc1cc(cc(Cl)c1OCCCCCCC(=O)
    O)NC(=O)NC(=O)c2ccccc2Cl; c1ccc(c(c1)C(=
    O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl
    )Cl    		 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID;
    7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID
    19935 BN3
    DB04643
    ZINC000012504446    		 1 C18 H15 Cl3 N2 O5 InChI=1S/C18H15Cl3N2O5/c1
    9-10-3-5-12(13(20)8-10)17
    (26)23-18(27)22-15-6-4-11
    (9-14(15)21)28-7-1-2-16(2
    4)25/h3-6,8-9H,1-2,7H2,(H
    ,24,25)(H2,22,23,26,27);
    FYQVFMLCZJZZEM-UHFFFAOYSA-N    		 c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2cc
    c(cc2Cl)Cl; Clc2cc(OCCCC(=O)O)ccc2NC(=O)
    NC(=O)c1ccc(Cl)cc1Cl; OC(=O)CCCOc1ccc(NC
    (=O)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1    		 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID;
    4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID
    19936 BN4
    DB04644
    ZINC000012504447    		 1 C20 H20 Cl2 N2 O5 InChI=1S/C20H20Cl2N2O5/c1
    -11-12(2)17(29-9-3-4-18(2
    5)26)8-7-16(11)23-20(28)2
    4-19(27)14-6-5-13(21)10-1
    5(14)22/h5-8,10H,3-4,9H2,
    1-2H3,(H,25,26)(H2,23,24,
    27,28);
    FCEMCUPAYRPTLS-UHFFFAOYSA-N    		 Cc1c(C)c(OCCCC(O)=O)ccc1NC(=O)NC(=O)c2cc
    c(Cl)cc2Cl; Cc1c(c(ccc1NC(=O)NC(=O)c2ccc
    (cc2Cl)Cl)OCCCC(=O)O)C; O=C(c1ccc(Cl)cc1
    Cl)NC(=O)Nc2ccc(OCCCC(=O)O)c(c2C)C    		 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID;
    4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID
    19937 BN5
    DB04645
    ZINC000012504448    		 1 C20 H20 Cl2 N2 O5 InChI=1S/C20H20Cl2N2O5/c1
    -12-16(5-4-6-17(12)29-10-
    3-2-7-18(25)26)23-20(28)2
    4-19(27)14-9-8-13(21)11-1
    5(14)22/h4-6,8-9,11H,2-3,
    7,10H2,1H3,(H,25,26)(H2,2
    3,24,27,28);
    NJJIFGCFUDDBSP-UHFFFAOYSA-N    		 Cc1c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cccc1OCC
    CCC(O)=O; O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2cc
    cc(OCCCCC(=O)O)c2C; Cc1c(cccc1OCCCCC(=O)
    O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl    		 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID;
    5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID
    19938 BN6
    ZINC000058650107    		 1 C35 H52 N6 O9 InChI=1S/C35H52N6O9/c1-21
    (2)20-50-35(49)39-28(24-9
    -5-3-6-10-24)31(44)40-41(
    19-23-15-16-23)34(48)37-2
    6(17-22-13-14-22)30(43)32
    (45)36-18-27(42)38-29(33(
    46)47)25-11-7-4-8-12-25/h
    4,7-8,11-12,21-24,26,28-3
    0,43H,3,5-6,9-10,13-20H2,
    1-2H3,(H,36,45)(H,37,48)(
    H,38,42)(H,39,49)(H,40,44
    )(H,46,47)/t26-,28-,29-,3
    0+/m0/s1;
    PLFWZBVXDUFZCY-ZVVXMFRTSA-N    		 CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)NN(CC2CC
    2)C(=O)N[CH](CC3CC3)[CH](O)C(=O)NCC(=O)N
    [CH](C(O)=O)c4ccccc4; CC(C)COC(=O)N[C@@H
    ](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](C
    C3CC3)[C@@H](O)C(=O)NCC(=O)N[C@H](C(O)=O
    )c4ccccc4; CC(C)COC(=O)NC(C1CCCCC1)C(=O)
    NN(CC2CC2)C(=O)NC(CC3CC3)C(C(=O)NCC(=O)N
    C(c4ccccc4)C(=O)O)O; CC(C)COC(=O)N[C@@H]
    (C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC
    3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)
    C(=O)O)O; O=C(NC(C(O)C(=O)NCC(=O)NC(c1cc
    ccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C
    )C)C3CCCCC3)CC4CC4    		 (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID
    19939 BN7 4 C14 H24 N2 O3 S InChI=1S/C14H24N2O3S/c1-9
    (2)7-19-12(17)6-4-3-5-11-
    13-10(8-20-11)15-14(18)16
    -13/h9-11,13H,3-8H2,1-2H3
    ,(H2,15,16,18)/t10-,11-,1
    3-/m0/s1;
    TYWDFVAUHFABAM-GVXVVHGQSA-N    		 CC(C)COC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]1
    2; O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2; CC(
    C)COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H
    ]12; CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](
    CS1)NC(=O)N2; CC(C)COC(=O)CCCCC1C2C(CS1)
    NC(=O)N2    		 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
    19940 BN8 1 C24 H29 Cl F3 N5 O5 S InChI=1S/C24H29ClF3N5O5S/
    c25-18-14-17(24(26,27)28)
    15-20(16-18)32-10-12-33(1
    3-11-32)39(37,38)21-7-5-1
    9(6-8-21)30-23(35)29-9-3-
    1-2-4-22(34)31-36/h5-8,14
    -16,36H,1-4,9-13H2,(H,31,
    34)(H2,29,30,35);
    GMLRUFCQNBOXDH-UHFFFAOYSA-N    		 ONC(=O)CCCCCNC(=O)Nc1ccc(cc1)[S](=O)(=O)
    N2CCN(CC2)c3cc(Cl)cc(c3)C(F)(F)F; c1cc(c
    cc1NC(=O)NCCCCCC(=O)NO)S(=O)(=O)N2CCN(CC
    2)c3cc(cc(c3)Cl)C(F)(F)F; O=S(=O)(c1ccc(
    NC(=O)NCCCCCC(=O)NO)cc1)N1CCN(CC1)c1cc(c
    c(Cl)c1)C(F)(F)F    		 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide
    19941 BNA
    ZINC000033595850    		 0 C24 H20 O2 InChI=1S/C24H20O2/c25-24(
    26)21(15-19-11-5-9-17-7-1
    -3-13-22(17)19)16-20-12-6
    -10-18-8-2-4-14-23(18)20/
    h1-14,21H,15-16H2,(H,25,2
    6);
    RMTCEQSLPGEKAH-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)
    O; OC(=O)C(Cc1cccc2ccccc12)Cc3cccc4ccccc
    34; O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3cccc
    c34    		 BIS-(NAPHTHYL-1-METHYL) ACETIC ACID
    19942 BNB 1 C36 H41 N7 O3 InChI=1S/C36H41N7O3/c1-25
    -30(8-7-9-31(25)39-34(44)
    26-12-16-29(17-13-26)42-1
    8-5-4-6-19-42)32-24-41(3)
    36(46)33(38-32)37-28-14-1
    0-27(11-15-28)35(45)43-22
    -20-40(2)21-23-43/h7-17,2
    4H,4-6,18-23H2,1-3H3,(H,3
    7,38)(H,39,44);
    VDSHGYXLLSEPML-UHFFFAOYSA-N    		 CN1CCN(CC1)C(=O)c2ccc(NC3=NC(=CN(C)C3=O)
    c4cccc(NC(=O)c5ccc(cc5)N6CCCCC6)c4C)cc2;
    Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=C
    N(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C
    )C    		 N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
    19943 BNC
    ZINC000118925234    		 1 C23 H40 O3 InChI=1S/C23H40O3/c1-5-13
    (2)16-6-7-17-21-18(12-20(
    26)23(16,17)4)22(3)9-8-15
    (24)10-14(22)11-19(21)25/
    h13-21,24-26H,5-12H2,1-4H
    3/t13-,14+,15-,16-,17+,18
    +,19-,20+,21+,22+,23-/m1/
    s1;
    HOGZQSSVBGJUMW-ZTSBSJDLSA-N    		 OC1CCC2(C)C4C(C(O)CC2C1)C3CCC(C(C)CC)C3(
    C)C(O)C4; CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(
    CCC(C4)O)C)O)O)C; CC[C@@H](C)[C@H]1CC[C@
    H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@
    ]4(C)[C@H]3C[C@H](O)[C@]12C; CC[C@@H](C)
    [C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]
    2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O
    )C; CC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C[C
    H]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C    		 5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL
    19944 BND
    ZINC000015877669    		 1 C19 H26 N2 O9 InChI=1S/C19H26N2O9/c1-10
    (22)21-14-12(23)8-19(29-2
    ,18(27)28)30-16(14)15(25)
    13(24)9-20-17(26)11-6-4-3
    -5-7-11/h3-7,12-16,23-25H
    ,8-9H2,1-2H3,(H,20,26)(H,
    21,22)(H,27,28)/t12-,13+,
    14+,15+,16+,19+/m0/s1;
    ULZLCALWUIQOMB-YRIWUQCMSA-N    		 CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2ccccc2)O)O
    )(C(=O)O)OC)O; CO[C@@]1(C[C@H](O)[C@@H](
    NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CNC(=O
    )c2ccccc2)C(O)=O; CC(=O)N[C@@H]1[C@H](C[
    C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc
    2)O)O)(C(=O)O)OC)O; O=C(c1ccccc1)NCC(O)C
    (O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)C; CO[C]
    1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[C
    H](O)CNC(=O)c2ccccc2)C(O)=O    		 methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
    ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC;
    methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
    methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid;
    methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-galacto-non-2-ulosidonic acid
    19945 BNE
    CHEMBL294888
    ZINC000024042774    		 1 C28 H33 N5 O2 InChI=1S/C28H33N5O2/c1-5-
    28(13-6-7-14-32(3)26(28)3
    4)22-9-8-10-23(15-22)35-2
    4-16-21(12-11-20(24)17-29
    )27(2,30)25-18-31-19-33(2
    5)4/h8-12,15-16,18-19H,5-
    7,13-14,30H2,1-4H3/t27-,2
    8-/m0/s1;
    MHNMEERHZSPWFL-NSOVKSMOSA-N    		 CCC1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#
    N)C(C)(c4cncn4C)N; CC[C]1(CCCCN(C)C1=O)c
    2cccc(Oc3cc(ccc3C#N)[C](C)(N)c4cncn4C)c2
    ; O=C1N(C)CCCCC1(c4cc(Oc2c(C#N)ccc(c2)C(
    N)(c3cncn3C)C)ccc4)CC; CC[C@]1(CCCCN(C)C
    1=O)c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c4cnc
    n4C)c2; CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)O
    c3cc(ccc3C#N)[C@@](C)(c4cncn4C)N    		 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE
    19946 BNF
    CHEMBL46293
    DB02481
    ZINC000087515328    		 6 C8 H9 N O InChI=1S/C8H9NO/c10-7-9-6
    -8-4-2-1-3-5-8/h1-5,7H,6H
    2,(H,9,10);
    IIBOGKHTXBPGEI-UHFFFAOYSA-N    		 c1ccc(cc1)CNC=O; O=CNCc1ccccc1 N-BENZYLFORMAMIDE
    19947 BNG
    CHEMBL490225
    DB02451
    ZINC000015609263    		 0 C15 H30 O6 InChI=1S/C15H30O6/c1-2-3-
    4-5-6-7-8-9-20-15-14(19)1
    3(18)12(17)11(10-16)21-15
    /h11-19H,2-10H2,1H3/t11-,
    12-,13+,14-,15-/m1/s1;
    QFAPUKLCALRPLH-UXXRCYHCSA-N    		 CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCC
    CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    )O)O)O; O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO;
    CCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[
    CH]1O; CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]
    (O)[C@H](O)[C@H]1O    		 nonyl beta-D-glucopyranoside;
    Beta-NONYLGLUCOSIDE;
    nonyl beta-D-glucoside;
    nonyl D-glucoside;
    nonyl glucoside
    19948 BNH
    ZINC000003966115    		 1 C36 H51 N5 O9 InChI=1S/C36H51N5O9/c1-21
    (2)20-50-36(49)41-29(24-9
    -5-3-6-10-24)33(45)39-27(
    18-23-15-16-23)32(44)38-2
    6(17-22-13-14-22)31(43)34
    (46)37-19-28(42)40-30(35(
    47)48)25-11-7-4-8-12-25/h
    4,7-8,11-12,21-24,26-27,2
    9-30H,3,5-6,9-10,13-20H2,
    1-2H3,(H,37,46)(H,38,44)(
    H,39,45)(H,40,42)(H,41,49
    )(H,47,48)/t26-,27-,29-,3
    0-/m0/s1;
    VZZMJPCOMQVXJP-ZHTHUIBPSA-N    		 O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccc
    cc1)C(=O)O)CC2CC2)CC3CC3)C(NC(=O)OCC(C)C
    )C4CCCCC4; CC(C)COC(=O)NC(C1CCCCC1)C(=O)
    NC(CC2CC2)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=
    O)NC(c4ccccc4)C(=O)O; CC(C)COC(=O)N[C@@H
    ](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@
    @H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@H](C(O)=
    O)c4ccccc4; CC(C)COC(=O)N[C@@H](C1CCCCC1
    )C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3
    )C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)
    O; CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)N[CH]
    (CC2CC2)C(=O)N[CH](CC3CC3)C(=O)C(=O)NCC(
    =O)N[CH](C(O)=O)c4ccccc4    		 [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID
    19949 BNI
    DB03549
    ZINC000006535889    		 22 C16 H20 N4 O4 S InChI=1S/C16H20N4O4S/c21-
    14(17-10-5-7-11(8-6-10)20
    (23)24)4-2-1-3-13-15-12(9
    -25-13)18-16(22)19-15/h5-
    8,12-13,15H,1-4,9H2,(H,17
    ,21)(H2,18,19,22)/t12-,13
    -,15-/m0/s1;
    PORZMUYPQKOFQY-YDHLFZDLSA-N    		 c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)[N
    +](=O)[O-]; O=C1NC2C(SCC2N1)CCCCC(=O)Nc3
    ccc([N+]([O-])=O)cc3; [O-][N+](=O)c1ccc(
    NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23
    )cc1; c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C
    @H](CS2)NC(=O)N3)[N+](=O)[O-]; [O-][N+](
    =O)c1ccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[C
    H]23)cc1    		 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE;
    BIOTINYL P-NITROANILINE
    19950 BNJ
    CHEMBL3409982
    ZINC000263621288    		 1 C14 H16 N2 O3 S2 InChI=1S/C14H16N2O3S2/c17
    -14-15-13(9-20-14)10-4-3-
    7-12(8-10)21(18,19)16-11-
    5-1-2-6-11/h3-4,7-9,11,16
    H,1-2,5-6H2,(H,15,17);
    YNSRHWKJAMIAPD-UHFFFAOYSA-N    		 O=C1NC(=CS1)c2cccc(c2)[S](=O)(=O)NC3CCCC
    3; O=C3SC=C(c1cc(ccc1)S(=O)(=O)NC2CCCC2)
    N3; c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(
    =O)N3    		 N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
    19951 BNK
    CHEMBL3409994
    ZINC000263620872    		 1 C14 H15 Cl N2 O3 S2 InChI=1S/C14H15ClN2O3S2/c
    15-11-6-5-9(12-8-21-14(18
    )16-12)7-13(11)22(19,20)1
    7-10-3-1-2-4-10/h5-8,10,1
    7H,1-4H2,(H,16,18);
    PBWTZCXFWIEPCV-UHFFFAOYSA-N    		 Clc1ccc(cc1[S](=O)(=O)NC2CCCC2)C3=CSC(=O
    )N3; O=C3SC=C(c1cc(c(Cl)cc1)S(=O)(=O)NC2
    CCCC2)N3; c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=
    O)NC3CCCC3)Cl    		 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
    19952 BNL
    CHEMBL14092
    ZINC000000968250    		 30 C12 H10 InChI=1S/C12H10/c1-3-7-11
    (8-4-1)12-9-5-2-6-10-12/h
    1-10H;
    ZUOUZKKEUPVFJK-UHFFFAOYSA-N    		 c1cc(ccc1)c2ccccc2; c1ccc(cc1)c2ccccc2 BIPHENYL
    19953 BNM
    CHEMBL3410003
    ZINC000263620844    		 1 C18 H21 N3 O4 S2 InChI=1S/C18H21N3O4S2/c22
    -17(11-5-6-11)19-14-7-12(
    16-10-26-18(23)20-16)8-15
    (9-14)27(24,25)21-13-3-1-
    2-4-13/h7-11,13,21H,1-6H2
    ,(H,19,22)(H,20,23);
    OLJJIVPNEQZRJR-UHFFFAOYSA-N    		 O=C1NC(=CS1)c2cc(NC(=O)C3CC3)cc(c2)[S](=
    O)(=O)NC4CCCC4; c1c(cc(cc1NC(=O)C2CC2)S(
    =O)(=O)NC3CCCC3)C4=CSC(=O)N4; O=C4SC=C(c
    2cc(cc(NC(=O)C1CC1)c2)S(=O)(=O)NC3CCCC3)
    N4    		 N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
    19954 BNN
    ZINC000006614430    		 0 C12 H15 N3 O3 InChI=1S/C12H15N3O3/c1-7(
    16)15-10(12(17)18)6-8-2-4
    -9(5-3-8)11(13)14/h2-5,10
    H,6H2,1H3,(H3,13,14)(H,15
    ,16)(H,17,18)/t10-/m0/s1;
    OKWDELZOYQDSQL-JTQLQIEISA-N    		 O=C(O)C(NC(=O)C)Cc1ccc(cc1)C(=[N@H])N; C
    C(=O)N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O; CC(
    =O)NC(Cc1ccc(cc1)C(=N)N)C(=O)O; [H]/N=C(
    \c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N; CC
    (=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(O)=O    		 ACETYL-P-AMIDINOPHENYLALANINE
    19955 BNO 0 C5 H14 B N O2 InChI=1S/C5H14BNO2/c1-2-3
    -4-5(7)6(8)9/h5,8-9H,2-4,
    7H2,1H3/t5-/m0/s1;
    KKWSSPUIRYKIAT-YFKPBYRVSA-N    		 CCCC[C@H](N)B(O)O; B(C(CCCC)N)(O)O; B([C
    @H](CCCC)N)(O)O; OB(O)C(N)CCCC; CCCC[CH]
    (N)B(O)O    		 NORLEUCINE BORONIC ACID
    19956 BNP
    CHEMBL31466
    ZINC000003951355    		 0 C32 H35 N O3 InChI=1S/C32H35NO3/c1-2-7
    -25(8-3-1)23-34-19-6-20-3
    5-30-15-13-28(14-16-30)31
    -17-18-33-22-32(31)36-24-
    26-11-12-27-9-4-5-10-29(2
    7)21-26/h1-5,7-16,21,31-3
    3H,6,17-20,22-24H2/t31-,3
    2+/m1/s1;
    SBQHXMHGXWOGFR-ZWXJPIIXSA-N    		 c1ccc(cc1)COCCCOc2ccc(cc2)C3CCNCC3OCc4cc
    c5ccccc5c4; C(COCc1ccccc1)COc2ccc(cc2)[C
    H]3CCNC[CH]3OCc4ccc5ccccc5c4; c1ccc(cc1)
    COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc
    5ccccc5c4; C(COCc1ccccc1)COc2ccc(cc2)[C@
    H]3CCNC[C@@H]3OCc4ccc5ccccc5c4; O(Cc2cc1
    ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)C
    CNC5    		 (3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE
    19957 BNQ
    CHEMBL3235533
    ZINC000000651288    		 1 C22 H18 N2 O S InChI=1S/C22H18N2OS/c25-2
    1(24-22-23-19-13-7-8-14-2
    0(19)26-22)15-18(16-9-3-1
    -4-10-16)17-11-5-2-6-12-1
    7/h1-14,18H,15H2,(H,23,24
    ,25);
    GYQWKTIZRYVFEM-UHFFFAOYSA-N    		 c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc
    4; O=C(CC(c1ccccc1)c2ccccc2)Nc3sc4ccccc4
    n3    		 ~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide
    19958 BNR 0 C62 H66 N2 O20 InChI=1S/C62H64N2O20/c1-2
    5-51(35(67)17-41(81-25)83
    -39-21-61(77,27(3)65)19-3
    3-45(39)59(75)49-47(55(33
    )71)53(69)31-9-7-11-37(79
    -5)43(31)57(49)73)63-23-2
    9-13-15-30(16-14-29)24-64
    -52-26(2)82-42(18-36(52)6
    8)84-40-22-62(78,28(4)66)
    20-34-46(40)60(76)50-48(5
    6(34)72)54(70)32-10-8-12-
    38(80-6)44(32)58(50)74/h7
    -16,25-26,35-36,39-42,51-
    52,63-64,67-68,71-72,75-7
    8H,17-24H2,1-6H3/p+2/t25-
    ,26-,35-,36-,39-,40-,41-,
    42-,51+,52+,61-,62-/m0/s1;
    CRXRBKHVHUKITD-MJSRGEEMSA-P    		 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[
    C@H]5C[C@H](O)[C@H]([NH2+]Cc6ccc(C[NH2+]
    [C@H]7[C@@H](O)C[C@@H](O[C@H]7C)O[C@H]8C
    [C@@](O)(Cc9c(O)c%10C(=O)c%11cccc(OC)c%1
    1C(=O)c%10c(O)c89)C(C)=O)cc6)[C@H](C)O5)
    c4c(O)c3C(=O)c12)C(C)=O; O=C2c1c(O)c%11c
    (c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)C
    C%11OC4OC(C)C(C(O)C4)[NH2+]Cc5ccc(cc5)C[
    NH2+]C%10C(OC(OC9c8c(O)c7C(=O)c6c(OC)ccc
    c6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)CC%10O)C;
    COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[C
    H]5C[CH](O)[CH]([NH2+]Cc6ccc(C[NH2+][CH]
    7[CH](O)C[CH](O[CH]7C)O[CH]8C[C](O)(Cc9c
    (O)c%10C(=O)c%11cccc(OC)c%11C(=O)c%10c(O
    )c89)C(C)=O)cc6)[CH](C)O5)c4c(O)c3C(=O)c
    12)C(C)=O; C[C@H]1[C@H]([C@H](C[C@@H](O1
    )O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccc
    c(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(c
    c6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O
    )O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2ccc
    c(c2C1=O)OC)O)(C(=O)C)O)C; CC1C(C(CC(O1)
    OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)
    OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+
    ]C7C(OC(CC7O)OC8CC(Cc9c8c(c1c(c9O)C(=O)c
    2cccc(c2C1=O)OC)O)(C(=O)C)O)C    		 BIS-DAUNORUBICIN;
    WP652
    19959 BNS
    CHEMBL1422641
    ZINC000001555312    		 4 C6 H6 O3 S InChI=1S/C6H6O3S/c7-10(8,
    9)6-4-2-1-3-5-6/h1-5H,(H,
    7,8,9);
    SRSXLGNVWSONIS-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)O; O[S](=O)(=O)c1cccc
    c1; O=S(=O)(O)c1ccccc1    		 benzenesulfonic acid
    19960 BNT
    CHEMBL1231418
    DB04646
    ZINC000002011646    		 12 C10 H10 Br2 O2 InChI=1S/C10H10Br2O2/c1-4
    (2)6-8(12)9(13)5(3)7(11)1
    0(6)14/h4H,1-3H3;
    GHHZELQYJPWSMG-UHFFFAOYSA-N    		 BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C; CC(C)C
    1=C(Br)C(=O)C(=C(Br)C1=O)C; CC1=C(C(=O)C
    (=C(C1=O)Br)C(C)C)Br    		 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE;
    2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE;
    DBMIB
    19961 BNU
    CHEMBL1193910
    ZINC000028765646    		 1 C16 H18 Br N3 O3 InChI=1S/C16H18BrN3O3/c1-
    2-19-9-11(16(22)23)15(21)
    10-7-12(17)14(8-13(10)19)
    20-5-3-18-4-6-20/h7-9,18H
    ,2-6H2,1H3,(H,22,23);
    DAPHRWWQHCSXBW-UHFFFAOYSA-N    		 O=C(O)C2=CN(c1cc(c(Br)cc1C2=O)N3CCNCC3)C
    C; CCN1C=C(C(O)=O)C(=O)c2cc(Br)c(cc12)N3
    CCNCC3; CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CC
    NCC3)C(=O)O    		 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
    19962 BNV
    ZINC000002037244    		 2 C15 H30 O2 InChI=1S/C15H30O2/c1-3-14
    (2)12-10-8-6-4-5-7-9-11-1
    3-15(16)17/h14H,3-13H2,1-
    2H3,(H,16,17)/t14-/m0/s1;
    XKLJLHAPJBUBNL-AWEZNQCLSA-N    		 CCC(C)CCCCCCCCCCC(=O)O; CC[C@H](C)CCCCCC
    CCCCC(=O)O; C(O)(CCCCCCCCCCC(C)CC)=O; CC
    [CH](C)CCCCCCCCCCC(O)=O; CC[C@H](C)CCCCC
    CCCCCC(O)=O    		 (12S)-12-methyltetradecanoic acid
    19963 BNW 4 C20 H32 N3 O22 P3 InChI=1S/C20H32N3O22P3/c1
    -7(18(29)30)40-16-12(21-8
    (2)25)19(42-9(5-24)15(16)
    43-46(32,33)34)44-48(37,3
    8)45-47(35,36)39-6-10-13(
    27)14(28)17(41-10)23-4-3-
    11(26)22-20(23)31/h3-4,7,
    9-10,12-17,19,24,27-28H,5
    -6H2,1-2H3,(H,21,25)(H,29
    ,30)(H,35,36)(H,37,38)(H,
    22,26,31)(H2,32,33,34)/t7
    -,9-,10-,12-,13-,14-,15-,
    16-,17-,19-/m1/s1;
    YABLFTRLTDPKPE-MQTLHLSBSA-N    		 CC(C(=O)O)OC1C(C(OC(C1OP(=O)(O)O)CO)OP(=
    O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3
    =O)O)O)NC(=O)C; C[C@@H](O[C@@H]1[C@@H](N
    C(C)=O)[C@H](O[C@H](CO)[C@H]1O[P](O)(O)=
    O)O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([
    C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)C(O)=O;
    C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H
    ]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)
    OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O
    )NC3=O)O)O)NC(=O)C; C[CH](O[CH]1[CH](NC(
    C)=O)[CH](O[CH](CO)[CH]1O[P](O)(O)=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O)C(O)=O    		 UDP-N-acetyl-muramic acid-4'phosphate
    19964 BNX
    ZINC000013507637    		 5 C6 H13 O9 P InChI=1S/C6H13O9P/c7-1-2-
    3(8)4(9)5(6(10)14-2)15-16
    (11,12)13/h2-10H,1H2,(H2,
    11,12,13)/t2-,3-,4+,5-,6-
    /m1/s1;
    SIUIENVKPUKAHD-VFUOTHLCSA-N    		 OC[C@H]1O[C@@H](O)[C@H](O[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; O=P(OC1C(O)C(O)C(OC1O)CO
    )(O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@@H
    ](O1)O)OP(=O)(O)O)O)O)O; C(C1C(C(C(C(O1)
    O)OP(=O)(O)O)O)O)O; OC[CH]1O[CH](O)[CH](
    O[P](O)(O)=O)[CH](O)[CH]1O    		 2-O-phosphono-beta-D-glucopyranose;
    2-O-phosphono-beta-D-glucose;
    2-O-phosphono-D-glucose;
    2-O-phosphono-glucose
    19965 BNY
    ZINC000196037160    		 4 C14 H12 N2 O4 InChI=1S/C14H12N2O4/c1-9-
    11(7-4-8-13(9)16(19)20)15
    -12-6-3-2-5-10(12)14(17)1
    8/h2-8,15H,1H3,(H,17,18);
    HDSHJLYBOCCRCF-UHFFFAOYSA-N    		 O=C(c2ccccc2Nc1c(c(N(=O)=O)ccc1)C)O; Cc1
    c(cccc1N(=O)=O)Nc2ccccc2C(=O)O; Cc1c(Nc2
    ccccc2C(O)=O)cccc1[N](=O)=O    		 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
    19966 BNZ
    CHEMBL277500
    ZINC000000967532    		 9 C6 H6 InChI=1S/C6H6/c1-2-4-6-5-
    3-1/h1-6H;
    UHOVQNZJYSORNB-UHFFFAOYSA-N    		 c1ccccc1 BENZENE
    19967 BO0 1 C7 H12 O4 InChI=1S/C7H12O4/c8-2-3-1
    -4-7(11-4)6(10)5(3)9/h3-1
    0H,1-2H2/t3-,4-,5-,6+,7-/
    m1/s1;
    CQDNTUVVKVNNOI-BNWJMWRWSA-N    		 C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)
    O)CO; OC[C@H]1C[C@H]2O[C@H]2[C@@H](O)[C@
    @H]1O; C1C(C(C(C2C1O2)O)O)CO; OC[CH]1C[C
    H]2O[CH]2[CH](O)[CH]1O    		 (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol
    19968 BO1
    CHEMBL1089968
    ZINC000004216414    		 1 C12 H18 N2 O7 S InChI=1S/C12H18N2O7S/c13-
    22(19,20)7-3-1-6(2-4-7)14
    -12-11(18)10(17)9(16)8(5-
    15)21-12/h1-4,8-12,14-18H
    ,5H2,(H2,13,19,20)/t8-,9-
    ,10+,11-,12-/m1/s1;
    RMCYKIOWPVOBJX-RMPHRYRLSA-N    		 c1cc(ccc1NC2C(C(C(C(O2)CO)O)O)O)S(=O)(=O
    )N; N[S](=O)(=O)c1ccc(N[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2O)cc1; O=S(=O)(N)c1ccc(c
    c1)NC2OC(C(O)C(O)C2O)CO; c1cc(ccc1N[C@H]
    2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S
    (=O)(=O)N; N[S](=O)(=O)c1ccc(N[C@@H]2O[C
    @H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1    		 N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine;
    N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE;
    N-(4-sulfamoylphenyl)-beta-D-glucosylamine;
    N-(4-sulfamoylphenyl)-D-glucosylamine;
    N-(4-sulfamoylphenyl)-glucosylamine
    19969 BO2
    CHEMBL325041
    DB00188
    ZINC000169746649    		 347 C19 H25 B N4 O4 InChI=1S/C19H25BN4O4/c1-1
    3(2)10-17(20(27)28)24-18(
    25)15(11-14-6-4-3-5-7-14)
    23-19(26)16-12-21-8-9-22-
    16/h3-9,12-13,15,17,27-28
    H,10-11H2,1-2H3,(H,23,26)
    (H,24,25)/t15-,17-/m0/s1;
    GXJABQQUPOEUTA-RDJZCZTQSA-N    		 CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2
    cnccn2)B(O)O; B(C(CC(C)C)NC(=O)C(Cc1cccc
    c1)NC(=O)c2cnccn2)(O)O; CC(C)C[C@H](NC(=
    O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;
    O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2
    nccnc2; B([C@H](CC(C)C)NC(=O)[C@H](Cc1cc
    ccc1)NC(=O)c2cnccn2)(O)O    		 N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE;
    BORTEZOMIB
    19970 BO3
    CHEMBL42403
    DB11326
    ZINC000245189278    		 2 B H3 O3 InChI=1S/BH3O3/c2-1(3)4/h
    2-4H;
    KGBXLFKZBHKPEV-UHFFFAOYSA-N    		 B(O)(O)O; OB(O)O BORIC ACID
    19971 BO4 2 B H4 O4 InChI=1S/BH4O4/c2-1(3,4)5
    /h2-5H/q-1;
    KCFLOKKYWBPKFN-UHFFFAOYSA-N    		 [B-](O)(O)(O)O; O[B-](O)(O)O BORATE ION
    19972 BO5
    ZINC000095921283    		 1 C19 H24 Cl N O4 InChI=1S/C19H24ClNO4/c1-2
    1-10-8-6-4-2-3-5-7-9-13(2
    2)11-14-17(19(21)25)15(23
    )12-16(24)18(14)20/h4,6,1
    2,23-24H,2-3,5,7-11H2,1H3
    /b6-4+;
    WWDYZJACOLMKDH-GQCTYLIASA-N    		 CN1CCC=CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=
    O; CN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)
    c2C1=O; CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2
    Cl)O)O)C1=O; O=C2c1c(O)cc(O)c(Cl)c1CC(=O
    )CCCCCC=CCCN2C; CN1CCC=CCCCCCC(=O)Cc2c(C
    l)c(O)cc(O)c2C1=O    		 (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE
    19973 BO6 0 C28 H25 N3 InChI=1S/C28H24N3/c1-30-1
    5-11-21(12-16-30)3-5-23-7
    -9-27-25(19-23)26-20-24(8
    -10-28(26)29-27)6-4-22-13
    -17-31(2)18-14-22/h3-20H,
    1-2H3/q+1/p+1;
    LXYNXOVLEQWDLL-UHFFFAOYSA-O    		 C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+]
    (C)cc5)cc4c3c2)cc1; C[n+]1ccc(cc1)/C=C/c
    2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](c
    c5)C; C[n+]1ccc(cc1)C=Cc2ccc3c(c2)c4cc(c
    cc4[nH]3)C=Cc5cc[n+](cc5)C; C[n+]1ccc(\C
    =C\c2ccc3[nH]c4ccc(/C=C/c5cc[n+](C)cc5)c
    c4c3c2)cc1    		 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole
    19974 BO7
    CHEMBL488609
    ZINC000000388567    		 0 C9 H10 O4 InChI=1S/C9H10O4/c1-12-6-
    4-3-5-7(13-2)8(6)9(10)11/
    h3-5H,1-2H3,(H,10,11);
    MBIZFBDREVRUHY-UHFFFAOYSA-N    		 COc1cccc(c1C(=O)O)OC; COc1cccc(OC)c1C(O)
    =O    		 2,6-DIMETHOXYBENZOIC ACID
    19975 BO8
    ZINC000198004839    		 2 C9 H20 B N2 O6 InChI=1S/C9H20BN2O6/c1-6(
    10(16,17)18)12-8(13)5-3-2
    -4-7(11)9(14)15/h6-7,16-1
    8H,2-5,11H2,1H3,(H,12,13)
    (H,14,15)/q-1/t6-,7-/m1/s
    1;
    ZSMKWHGOAVMEJJ-RNFRBKRXSA-N    		 [B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(
    O)(O)O; O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)
    O)N; C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)[
    B-](O)(O)O; C[CH](NC(=O)CCCC[CH](N)C(O)=
    O)[B-](O)(O)O; [B-](C(C)NC(=O)CCCCC(C(=O
    )O)N)(O)(O)O    		 (D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
    19976 BO9
    DB04647
    ZINC000169748488    		 1 C26 H41 B N4 O10 InChI=1S/C26H41BN4O10/c1-
    17(27(38)39)29-22(33)19(1
    2-8-9-15-28-24(36)40-16-1
    8-10-6-5-7-11-18)30-21(32
    )14-13-20(23(34)35)31-25(
    37)41-26(2,3)4/h5-7,10-11
    ,17,19-20,38-39H,8-9,12-1
    6H2,1-4H3,(H,28,36)(H,29,
    33)(H,30,32)(H,31,37)(H,3
    4,35)/t17-,19+,20+/m1/s1;
    OTTYWVUOPWENAJ-HOJAQTOUSA-N    		 B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccc
    cc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)
    C)(O)O; C[C@@H](NC(=O)[C@H](CCCCNC(=O)OC
    c1ccccc1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C
    (O)=O)B(O)O; O=C(OC(C)(C)C)NC(C(=O)O)CCC
    (=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccc
    cc1; B(C(C)NC(=O)C(CCCCNC(=O)OCc1ccccc1)
    NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C)(O)O; C
    [CH](NC(=O)[CH](CCCCNC(=O)OCc1ccccc1)NC(
    =O)CC[CH](NC(=O)OC(C)(C)C)C(O)=O)B(O)O    		 N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE;
    BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA
    19977 BOA
    DB04283
    ZINC000009974955    		 1 C5 H3 Br N4 O InChI=1S/C5H3BrN4O/c6-5-9
    -3-2(4(11)10-5)7-1-8-3/h1
    H,(H2,7,8,9,10,11);
    ONXCBJOMYNPZNI-UHFFFAOYSA-N    		 Brc1nc(O)c2c(n1)ncn2; Oc1nc(Br)nc2nc[nH]
    c12; c1[nH]c2c(n1)nc(nc2O)Br    		 2-BROMO-6-HYDROXY-PURINE
    19978 BOB
    ZINC000058661127    		 23 C19 H35 N3 O8 S InChI=1S/C19H35N3O8S/c1-2
    -3-4-5-14(24)15(8-9-23)31
    -11-13(18(28)21-10-17(26)
    27)22-16(25)7-6-12(20)19(
    29)30/h12-15,23-24H,2-11,
    20H2,1H3,(H,21,28)(H,22,2
    5)(H,26,27)(H,29,30)/t12-
    ,13-,14+,15-/m0/s1;
    CLEVVMDJDMEQKG-XQLPTFJDSA-N    		 CCCCC[CH](O)[CH](CCO)SC[CH](NC(=O)CC[CH]
    (N)C(O)=O)C(=O)NCC(O)=O; CCCCC[C@@H](O)[
    C@H](CCO)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)
    C(=O)NCC(O)=O; CCCCCC(C(CCO)SCC(C(=O)NCC
    (=O)O)NC(=O)CCC(C(=O)O)N)O; CCCCC[C@H]([
    C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC
    [C@@H](C(=O)O)N)O; O=C(NC(C(=O)NCC(=O)O)
    CSC(C(O)CCCCC)CCO)CCC(C(=O)O)N    		 (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid;
    L-gamma-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinylglycine
    19979 BOC
    ZINC000002560456    		 0 C5 H10 O3 InChI=1S/C5H10O3/c1-5(2,3
    )8-4(6)7/h1-3H3,(H,6,7);
    XKXIQBVKMABYQJ-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)O; O=C(O)OC(C)(C)C; CC(C)(
    C)OC(O)=O    		 TERT-BUTYL HYDROGEN CARBONATE
    19980 BOD
    CHEMBL4468777
    DB21485    		 4 C19 H22 N8 O InChI=1S/C19H22N8O/c1-28-
    19-23-10-14(11-24-19)13-3
    -2-4-15(9-13)26-5-7-27(8-
    6-26)16-12-22-18(21)25-17
    (16)20/h2-4,9-12H,5-8H2,1
    H3,(H4,20,21,22,25);
    GUZBZPCNAJDYMO-UHFFFAOYSA-N    		 c1(c(cnc(N)n1)N4CCN(c2cc(ccc2)c3cnc(nc3)
    OC)CC4)N; COc1ncc(cn1)c2cccc(c2)N3CCN(CC
    3)c4cnc(nc4N)N; COc1ncc(cn1)c2cccc(c2)N3
    CCN(CC3)c4cnc(N)nc4N    		 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
    19981 BOE
    ZINC000058660488    		 0 C19 H25 N2 O10 P InChI=1S/C19H25N2O10P/c1-
    12-9-21(19(24)20-17(12)23
    )18-16(15(22)14(31-18)11-
    30-32(25,26)27)29-8-7-28-
    10-13-5-3-2-4-6-13/h2-6,9
    ,14-16,18,22H,7-8,10-11H2
    ,1H3,(H,20,23,24)(H2,25,2
    6,27)/t14-,15-,16-,18-/m1
    /s1;
    LZEOXHFYJVFRES-YFHUEUNASA-N    		 O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCOCc2cccc
    c2)COP(=O)(O)O; CC1=CN([C@@H]2O[C@H](CO[
    P](O)(O)=O)[C@@H](O)[C@H]2OCCOCc3ccccc3)
    C(=O)NC1=O; CC1=CN([CH]2O[CH](CO[P](O)(O
    )=O)[CH](O)[CH]2OCCOCc3ccccc3)C(=O)NC1=O
    ; CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](
    [C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3; CC
    1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O
    )OCCOCc3ccccc3    		 2'-O-[2-(BENZYLOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
    19982 BOF 1 C23 H25 N5 O InChI=1S/C23H25N5O/c1-14-
    5-8-19(9-6-14)28-16(3)24-
    25-22(28)17-7-12-20-21(13
    -17)27(18-10-11-18)15(2)2
    3(29)26(20)4/h5-9,12-13,1
    5,18H,10-11H2,1-4H3/t15-/
    m1/s1;
    FHWAFMUGPZBZHB-OAHLLOKOSA-N    		 Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N(C(C(=O)N
    4C)C)C5CC5)C; C[CH]1N(C2CC2)c3cc(ccc3N(C
    )C1=O)c4nnc(C)n4c5ccc(C)cc5; Cc1ccc(cc1)
    n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C
    5CC5)C; C[C@H]1N(C2CC2)c3cc(ccc3N(C)C1=O
    )c4nnc(C)n4c5ccc(C)cc5; CN5c3c(cc(c1nnc(
    n1c2ccc(cc2)C)C)cc3)N(C4CC4)C(C)C5=O    		 (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one
    19983 BOG
    CHEMBL446037
    ZINC000040165555    		 11 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-14-13(18)12(
    17)11(16)10(9-15)20-14/h1
    0-18H,2-9H2,1H3/t10-,11-,
    12+,13-,14-/m1/s1;
    HEGSGKPQLMEBJL-RKQHYHRCSA-N    		 CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCCC
    O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; CCC
    CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1
    )CO)O)O)O; CCCCCCCCO[C@@H]1O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]1O; O(CCCCCCCC)C1OC(C
    (O)C(O)C1O)CO    		 octyl beta-D-glucopyranoside;
    Beta-Octylglucoside;
    octyl beta-D-glucoside;
    octyl D-glucoside;
    octyl glucoside
    19984 BOH
    CHEMBL4639771    		 2 C14 H15 N3 O3 S InChI=1S/C14H15N3O3S/c1-7
    (15)13(20)17-14-16-11(8(2
    )18)12(21-14)9-4-3-5-10(1
    9)6-9/h3-7,19H,15H2,1-2H3
    ,(H,16,17,20)/t7-/m1/s1;
    GDTJBYZKZGXLNU-SSDOTTSWSA-N    		 C[C@@H](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(
    C)=O; C[CH](N)C(=O)Nc1sc(c2cccc(O)c2)c(n
    1)C(C)=O; CC(C(=O)Nc1nc(c(s1)c2cccc(c2)O
    )C(=O)C)N; C[C@H](C(=O)Nc1nc(c(s1)c2cccc
    (c2)O)C(=O)C)N    		 (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
    19985 BOI 2 C18 H24 Cl N3 O11 P2 InChI=1S/C18H24ClN3O11P2/
    c1-21-14(20-31-8-11-2-4-1
    2(19)5-3-11)6-7-22(18(21)
    25)17-16(24)15(23)13(33-1
    7)9-32-35(29,30)10-34(26,
    27)28/h2-7,13,15-17,23-24
    H,8-10H2,1H3,(H,29,30)(H2
    ,26,27,28)/b20-14+/t13-,1
    5-,16-,17-/m1/s1;
    LIVNQTQAYASRSG-UEUWNTQGSA-N    		 CN1C(=O)N(C=CC1=NOCc2ccc(Cl)cc2)[CH]3O[C
    H](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3
    O; CN1C(=NOCc2ccc(cc2)Cl)C=CN(C1=O)C3C(C
    (C(O3)COP(=O)(CP(=O)(O)O)O)O)O; CN1/C(=N
    /OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O
    ; CN/1C(=O)N(C=CC/1=N/OCc2ccc(Cl)cc2)[C@
    @H]3O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@
    H](O)[C@H]3O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
    19986 BOJ
    CHEMBL5822647    		 2 C17 H24 N6 InChI=1S/C17H24N6/c1-2-6-
    14-15(16(18)21-17(19)20-1
    4)23-11-9-22(10-12-23)13-
    7-4-3-5-8-13/h3-5,7-8H,2,
    6,9-12H2,1H3,(H4,18,19,20
    ,21);
    NVJSDHWZOFXFSJ-UHFFFAOYSA-N    		 CCCc1nc(N)nc(N)c1N2CCN(CC2)c3ccccc3; CCC
    c1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3; c3cc
    (N2CCN(c1c(CCC)nc(N)nc1N)CC2)ccc3    		 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
    19987 BOL
    CHEMBL1357627
    ZINC000000061524    		 3 C13 H10 I N O InChI=1S/C13H10INO/c14-12
    -9-5-4-8-11(12)13(16)15-1
    0-6-2-1-3-7-10/h1-9H,(H,1
    5,16);
    LJOZMWRYMKECFF-UHFFFAOYSA-N    		 Ic1ccccc1C(=O)Nc2ccccc2; c1ccc(cc1)NC(=O
    )c2ccccc2I    		 2-iodo-N-phenylbenzamide
    19988 BOM
    DB02982    		 4 C16 H30 O InChI=1S/C16H30O/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17/h4-7,17H,2-3,8-
    16H2,1H3/b5-4-,7-6+;
    CIVIWCVVOFNUST-SCFJQAPRSA-N    		 CCCC=CC=CCCCCCCCCCO; CCC\C=C/C=C/CCCCCCC
    CCO; OCCCCCCCCC\C=C\C=C/CCC    		 HEXADECA-10,12-DIEN-1-OL;
    BOMBYKOL
    19989 BON
    CHEMBL190447    		 1 C12 H19 B N2 O4 S InChI=1S/C12H19BN2O4S/c1-
    11(2)12(3,4)19-13(18-11)9
    -5-7-10(8-6-9)15-20(14,16
    )17/h5-8,15H,1-4H3,(H2,14
    ,16,17);
    YQWUJQMJCQBCRA-UHFFFAOYSA-N    		 B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O
    )N; CC1(C)OB(OC1(C)C)c2ccc(N[S](N)(=O)=O
    )cc2; O=S(=O)(N)Nc2ccc(B1OC(C)(C)C(O1)(C
    )C)cc2    		 N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide
    19990 BOP 0 C7 H7 Br O InChI=1S/C7H7BrO/c1-9-7-4
    -2-6(8)3-5-7/h2-5H,1H3;
    QJPJQTDYNZXKQF-UHFFFAOYSA-N    		 ether; COc1ccc(cc1)Br; COc1ccc(Br)cc1 1-BROMO-4-METHOXYBENZENE
    19991 BOQ
    CHEMBL1584149
    ZINC000000032660    		 1 C12 H19 N O3 InChI=1S/C12H19NO3/c1-5-1
    5-11(14)8-6-10(12(2,3)4)1
    6-9(8)7-13/h6H,5,7,13H2,1
    -4H3;
    JXCNRNVAFQVPDO-UHFFFAOYSA-N    		 CCOC(=O)c1cc(oc1CN)C(C)(C)C ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
    19992 BOR
    CHEMBL1231428    		 0 C5 H15 B N4 O2 InChI=1S/C5H15BN4O2/c7-4(
    6(11)12)2-1-3-10-5(8)9/h4
    ,11-12H,1-3,7H2,(H4,8,9,1
    0)/t4-/m0/s1;
    ACTXPNAHMKBUTO-BYPYZUCNSA-N    		 B(C(CCCNC(=N)N)N)(O)O; OB(O)C(N)CCCNC(=[
    N@H])N; N[C@@H](CCCNC(N)=N)B(O)O; N[CH](
    CCCNC(N)=N)B(O)O; B([C@H](CCCNC(=N)N)N)(
    O)O    		 (1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID;
    BORO ARGININE
    19993 BOS
    CHEMBL386049
    DB07476    		 1 C13 H12 N2 O3 S2 InChI=1S/C13H12N2O3S2/c14
    -20(17,18)10-7-5-9(6-8-10
    )15-13(16)11-3-1-2-4-12(1
    1)19/h1-8,19H,(H,15,16)(H
    2,14,17,18);
    MRLVIVXGUGNENL-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S;
    N[S](=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1;
    O=C(c1ccccc1S)Nc2ccc(cc2)S(=O)(=O)N    		 N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE
    19994 BOT
    CHEMBL510309    		 0 C7 H5 N S InChI=1/C7H5NS/c1-2-4-7-6
    (3-1)8-5-9-7/h1-5H;
    IOJUPLGTWVMSFF-UHFFFAOYAC    		 n1c2ccccc2sc1; s1cnc2ccccc12; c1ccc2c(c1
    )ncs2    		 BENZOTHIAZOLE
    19995 BOU
    ZINC000066166096    		 2 C22 H22 N2 O6 S InChI=1S/C22H22N2O6S/c1-2
    2(2)17(21(29)30)24-19(31-
    22)16(11-25)23-18(26)14-9
    -5-3-7-12(14)13-8-4-6-10-
    15(13)20(27)28/h3-11,16-1
    7,19,24H,1-2H3,(H,23,26)(
    H,27,28)(H,29,30)/t16-,17
    +,19-/m1/s1;
    RFZQTRAFQUXQJP-ZIFCJYIRSA-N    		 CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)
    c2ccccc2c3ccccc3C(O)=O)C=O; CC1(C(NC(S1)
    C(C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)
    O)C; CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(
    =O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C; CC1(
    C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)c2ccccc2
    c3ccccc3C(O)=O)C=O; O=C(NC(C=O)C1SC(C(N1
    )C(=O)O)(C)C)c3ccccc3c2ccccc2C(=O)O    		 (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    CBAP, open form;
    benzoyl-6-amino penicilloic acid, open form
    19996 BOV 2 C22 H27 F2 N5 O4 InChI=1S/C22H27F2N5O4/c1-
    12(2)8-17(27-21(32)18-9-1
    4-15(24)4-3-5-16(14)26-18
    )22(33)28-29(19(30)10-23)
    11-13-6-7-25-20(13)31/h3-
    5,9,12-13,17,26H,6-8,10-1
    1H2,1-2H3,(H,25,31)(H,27,
    32)(H,28,33)/t13-,17-/m0/
    s1;
    MRCDFPNCOHGYQJ-GUYCJALGSA-N    		 CC(C)C[C@H](NC(=O)c1[nH]c2cccc(F)c2c1)C(
    =O)NN(C[C@@H]3CCNC3=O)C(=O)CF; CC(C)CC(C
    (=O)NN(CC1CCNC1=O)C(=O)CF)NC(=O)c2cc3c([
    nH]2)cccc3F; CC(C)C[CH](NC(=O)c1[nH]c2cc
    cc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF;
    CC(C)C[C@@H](C(=O)NN(C[C@@H]1CCNC1=O)C(
    =O)CF)NC(=O)c2cc3c([nH]2)cccc3F    		 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
    19997 BOW
    CHEMBL24261    		 1 C8 H19 N O3 S InChI=1S/C8H19NO3S/c1-2-3
    -4-5-6-7-8-12-13(9,10)11/
    h2-8H2,1H3,(H2,9,10,11);
    ZXWAFSSPWCHAJT-UHFFFAOYSA-N    		 CCCCCCCCO[S](N)(=O)=O; CCCCCCCCOS(=O)(=O
    )N; O=S(=O)(OCCCCCCCC)N    		 octyl sulfamate;
    n-Octyl sulfamate
    19998 BOX
    CHEMBL541
    DB03793    		 0 C7 H6 O2 InChI=1/C7H6O2/c8-7(9)6-4
    -2-1-3-5-6/h1-5H,(H,8,9)/
    f/h8H;
    WPYMKLBDIGXBTP-FZOZFQFYCI    		 O=C(O)c1ccccc1; c1ccc(cc1)C(=O)O; OC(=O)
    c1ccccc1    		 BENZOIC ACID
    19999 BOY 1 C8 H11 O4 P InChI=1S/C8H11O4P/c1-6-2-
    4-7(5-3-6)8(9)13(10,11)12
    /h2-5,8-9H,1H3,(H2,10,11,
    12)/t8-/m1/s1;
    AFOAUCXHAIELNA-MRVPVSSYSA-N    		 Cc1ccc(cc1)[C@H](O)[P](O)(O)=O; Cc1ccc(c
    c1)C(P(O)(O)=O)O; Cc1ccc(cc1)[C@H](O)P(=
    O)(O)O; Cc1ccc(cc1)[CH](O)[P](O)(O)=O; C
    c1ccc(cc1)C(O)P(=O)(O)O    		 [(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
    20000 BOZ
    DB03443    		 1 C17 H18 N8 O Zn InChI=1S/C17H18N8O.Zn/c18
    -14(19)7-1-3-9-11(5-7)24-
    16(22-9)13(26)17-23-10-4-
    2-8(15(20)21)6-12(10)25-1
    7;/h1-6,14-15H,18-21H2,(H
    ,22,24)(H,23,25);/q;+2;
    ZZTKUHCUDLEGEN-UHFFFAOYSA-N    		 c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=
    O)Nc5c4ccc(c5)C(N)N; [Zn++].NC(N)c1ccc2n
    c([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N    		 BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).