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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
    15601 BD9
    CHEMBL1075863
    ZINC000049778098    		 1 C40 H55 N9 O5 InChI=1S/C40H55N9O5/c1-3-
    4-5-6-7-8-9-10-14-37(51)4
    6-34(23-31-25-41-27-44-31
    )38(52)47-35(24-32-26-42-
    28-45-32)39(53)48-36(22-2
    9-15-17-33(50)18-16-29)40
    (54)49(2)21-19-30-13-11-1
    2-20-43-30/h11-13,15-18,2
    0,25-28,34-36,50H,3-10,14
    ,19,21-24H2,1-2H3,(H,41,4
    4)(H,42,45)(H,46,51)(H,47
    ,52)(H,48,53)/t34-,35-,36
    -/m0/s1;
    XTWPUBVVNIJMOQ-KVBYWJEESA-N    		 CCCCCCCCCCC(=O)N[CH](Cc1[nH]cnc1)C(=O)N[
    CH](Cc2c[nH]cn2)C(=O)N[CH](Cc3ccc(O)cc3)
    C(=O)N(C)CCc4ccccn4; CCCCCCCCCCC(=O)NC(C
    c1cnc[nH]1)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(C
    c3ccc(cc3)O)C(=O)N(C)CCc4ccccn4; CCCCCCC
    CCCC(=O)N[C@@H](Cc1[nH]cnc1)C(=O)N[C@@H]
    (Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(O)cc3)C
    (=O)N(C)CCc4ccccn4; CCCCCCCCCCC(=O)N[C@@
    H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)
    C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4c
    cccn4; O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=
    O)C(NC(=O)CCCCCCCCCC)Cc2cncn2)Cc3ncnc3)C
    c4ccc(O)cc4    		 N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
    15602 BDA 0 C62 H66 N2 O20 InChI=1S/C62H64N2O20/c1-2
    5-51(67)35(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
    -36-18-42(82-26(2)52(36)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;
    HTOLWQNKVYAHLB-MJSRGEEMSA-P    		 CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c
    5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc
    (cc6)C[NH2+]C7CC(OC(C7O)C)OC8CC(Cc9c8c(c
    1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O
    )O; COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H
    ](O[C@H]5C[C@H]([NH2+]Cc6ccc(C[NH2+][C@H
    ]7C[C@@H](O[C@@H](C)[C@H]7O)O[C@H]8C[C@@
    ](O)(Cc9c(O)c%10C(=O)c%11cccc(OC)c%11C(=
    O)c%10c(O)c89)C(C)=O)cc6)[C@H](O)[C@H](C
    )O5)c4c(O)c3C(=O)c12)C(C)=O; COc1cccc2C(
    =O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH]([NH
    2+]Cc6ccc(C[NH2+][CH]7C[CH](O[CH](C)[CH]
    7O)O[CH]8C[C](O)(Cc9c(O)c%10C(=O)c%11ccc
    c(OC)c%11C(=O)c%10c(O)c89)C(C)=O)cc6)[CH
    ](O)[CH](C)O5)c4c(O)c3C(=O)c12)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)c5cccc(c5C4=O)OC)
    O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H
    ]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@]
    (Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)
    (C(=O)C)O)O; O=C2c1c(O)c%11c(c(O)c1C(=O)
    c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)
    C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O
    )C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c
    7c(O)c8CC(O)(C(=O)C)C9)C%10)C    		 4-METHYLBENZYL-N-BIS[DAUNOMYCIN];
    WP631
    15603 BDB
    CHEMBL109227
    DB02627
    ZINC000169747015    		 2 C12 H12 B2 O4 InChI=1S/C12H12B2O4/c15-1
    3(16)11-5-1-9(2-6-11)10-3
    -7-12(8-4-10)14(17)18/h1-
    8,15-18H;
    SLHKDOGTVUCXKX-UHFFFAOYSA-N    		 B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O; OB(O)c
    1ccc(cc1)c2ccc(cc2)B(O)O    		 4,4'-BIPHENYLDIBORONIC ACID
    15604 BDC
    CHEMBL345599
    ZINC000027651333    		 0 C44 H54 N8 O2 InChI=1S/C44H54N8O2/c1-51
    (2)29-27-47-43(53)35-21-1
    5-19-33-39(31-17-9-11-23-
    37(31)49-41(33)35)45-25-1
    3-7-5-6-8-14-26-46-40-32-
    18-10-12-24-38(32)50-42-3
    4(40)20-16-22-36(42)44(54
    )48-28-30-52(3)4/h9-12,15
    -24H,5-8,13-14,25-30H2,1-
    4H3,(H,45,49)(H,46,50)(H,
    47,53)(H,48,54);
    UUXARTGDSXDSRM-UHFFFAOYSA-N    		 CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCC
    CCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C; CN
    (C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4
    nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12;
    O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCC
    CCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)ccc
    c6    		 BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE;
    BIS-DACA
    15605 BDD
    CHEMBL1231267
    DB02619
    ZINC000002047662    		 9 C12 H25 Br O InChI=1S/C12H25BrO/c13-11
    -9-7-5-3-1-2-4-6-8-10-12-
    14/h14H,1-12H2;
    ASIDMJNTHJYVQJ-UHFFFAOYSA-N    		 BrCCCCCCCCCCCCO; C(CCCCCCBr)CCCCCO; OCCC
    CCCCCCCCCBr    		 BROMO-DODECANOL
    15606 BDE
    CHEMBL514988
    DB07445
    ZINC000000711748    		 4 C13 H9 Br2 N3 O3 InChI=1S/C13H9Br2N3O3/c14
    -9-4-8(11(19)10(15)12(9)2
    0)6-17-18-13(21)7-2-1-3-1
    6-5-7/h1-6,19-20H,(H,18,2
    1)/b17-6+;
    PYVJEAZDEZTGIS-UBKPWBPPSA-N    		 Oc1c(Br)cc(/C=N/NC(=O)c2cccnc2)c(O)c1Br;
    c1cc(cnc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
    ; O=C(N\N=C\c1cc(Br)c(O)c(Br)c1O)c2cccnc
    2; c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)
    O)Br; Oc1c(Br)cc(C=NNC(=O)c2cccnc2)c(O)c
    1Br    		 N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE
    15607 BDF
    ZINC000003861095    		 128 C6 H12 O6 InChI=1S/C6H12O6/c7-2-6(1
    1)5(10)4(9)3(8)1-12-6/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    -/m1/s1;
    LKDRXBCSQODPBY-ARQDHWQXSA-N    		 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O; OC[C@@]
    1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O; C1[C@H
    ]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O; OC1C
    (O)(OCC(O)C1O)CO; C1C(C(C(C(O1)(CO)O)O)O
    )O    		 beta-D-fructopyranose;
    beta-D-fructose;
    D-fructose;
    fructose
    15608 BDG 1 C6 H14 N2 O4 InChI=1S/C6H14N2O4/c7-1-2
    -4(9)5(10)3(8)6(11)12-2/h
    2-6,9-11H,1,7-8H2/t2-,3-,
    4-,5-,6+/m1/s1;
    SQTHUUHOUPJYLK-UKFBFLRUSA-N    		 NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O; C(C
    1C(C(C(C(O1)O)N)O)O)N; C([C@@H]1[C@H]([C
    @@H]([C@H]([C@H](O1)O)N)O)O)N; NC[C@H]1O
    [C@H](O)[C@H](N)[C@@H](O)[C@@H]1O; OC1C(
    O)C(OC(O)C1N)CN    		 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose;
    O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE;
    2,6-diamino-2,6-dideoxy-alpha-D-glucose;
    2,6-diamino-2,6-dideoxy-D-glucose;
    2,6-diamino-2,6-dideoxy-glucose
    15609 BDH
    ZINC000002391076    		 2 C10 H14 N4 O5 InChI=1S/C10H14N4O5/c11-6
    (9(16)17)2-8(15)14-7(10(1
    8)19)1-5-3-12-4-13-5/h3-4
    ,6-7H,1-2,11H2,(H,12,13)(
    H,14,15)(H,16,17)(H,18,19
    )/t6-,7-/m0/s1;
    KABYBYFUSGXITA-BQBZGAKWSA-N    		 c1c([nH]cn1)CC(C(=O)O)NC(=O)CC(C(=O)O)N;
    O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1; c1c
    ([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(
    =O)O)N; N[CH](CC(=O)N[CH](Cc1[nH]cnc1)C(
    O)=O)C(O)=O; N[C@@H](CC(=O)N[C@@H](Cc1[n
    H]cnc1)C(O)=O)C(O)=O    		 L-BETA-ASPARTYLHISTIDINE
    15610 BDI
    CHEMBL280051
    DB02441    		 2 C9 H12 N4 O2 InChI=1S/C9H12N4O2/c1-2-3
    -4-5-10-6-7(11-5)9(15)13-
    12-8(6)14/h2-4H2,1H3,(H,1
    0,11)(H,12,14)(H,13,15);
    DQHJYYALMHIEAH-UHFFFAOYSA-N    		 CCCCc1[nH]c2c(n1)C(=O)NNC2=O; CCCCc1[nH]
    c2C(=O)NNC(=O)c2n1; O=C2c1nc(nc1C(=O)NN2
    )CCCC    		 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE
    15611 BDJ
    CHEMBL572367
    ZINC000045283682    		 1 C12 H14 Cl N3 O InChI=1S/C12H14ClN3O/c1-1
    2(2)10(17)16(11(14)15-12)
    7-8-4-3-5-9(13)6-8/h3-6H,
    7H2,1-2H3,(H2,14,15);
    NFQQEWLVDJRZJJ-UHFFFAOYSA-N    		 CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O; CC1(C(
    =O)N(C(=N)N1)Cc2cccc(c2)Cl)C; [H]/N=C\1/
    NC(C(=O)N1Cc2cccc(c2)Cl)(C)C    		 (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
    15612 BDK
    ZINC000037865564    		 1 C23 H30 F2 N6 O5 S InChI=1S/C23H30F2N6O5S/c1
    -14(2)18(19(33)23(24,25)2
    2(35)27-5-6-30-7-9-36-10-
    8-30)29-17(32)13-31-20(16
    -4-3-11-37-16)28-12-15(26
    )21(31)34/h3-4,11-12,14,1
    8H,5-10,13,26H2,1-2H3,(H,
    27,35)(H,29,32)/t18-/m0/s
    1;
    SZYHELVLDPKTOS-SFHVURJKSA-N    		 CC(C)C(C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=
    O)CN2C(=NC=C(C2=O)N)c3cccs3; CC(C)[CH](N
    C(=O)CN1C(=O)C(=CN=C1c2sccc2)N)C(=O)C(F)
    (F)C(=O)NCCN3CCOCC3; O=C(NCCN1CCOCC1)C(F
    )(F)C(=O)C(NC(=O)CN2C(=NC=C(N)C2=O)c3scc
    c3)C(C)C; CC(C)[C@@H](C(=O)C(C(=O)NCCN1C
    COCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3ccc
    s3; CC(C)[C@H](NC(=O)CN1C(=O)C(=CN=C1c2s
    ccc2)N)C(=O)C(F)(F)C(=O)NCCN3CCOCC3    		 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE
    15613 BDL
    DB07446    		 1 C18 H21 N O4 S InChI=1S/C18H21NO4S/c1-13
    (2)12-17(18(20)21)19-24(2
    2,23)16-10-8-15(9-11-16)1
    4-6-4-3-5-7-14/h3-11,13,1
    7,19H,12H2,1-2H3,(H,20,21
    )/t17-/m1/s1;
    FBSVJQQVDISETN-QGZVFWFLSA-N    		 CC(C)C[CH](N[S](=O)(=O)c1ccc(cc1)c2ccccc
    2)C(O)=O; CC(C)C[C@H](C(=O)O)NS(=O)(=O)c
    1ccc(cc1)c2ccccc2; O=C(O)C(NS(=O)(=O)c2c
    cc(c1ccccc1)cc2)CC(C)C; CC(C)CC(C(=O)O)N
    S(=O)(=O)c1ccc(cc1)c2ccccc2; CC(C)C[C@@H
    ](N[S](=O)(=O)c1ccc(cc1)c2ccccc2)C(O)=O    		 N-(biphenyl-4-ylsulfonyl)-D-leucine;
    (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid
    15614 BDM
    DB02809    		 2 C20 H24 Br N4 O6 InChI=1S/C20H25BrN4O6/c1-
    30-14-8-11(7-13-10-24-20(
    23)25-18(13)22)9-15(17(14
    )21)31-6-2-3-12(19(28)29)
    4-5-16(26)27/h8-10,12H,2-
    7H2,1H3,(H,26,27)(H,28,29
    )(H4,22,23,24,25)/p-1/t12
    -/m0/s1;
    SZAVCZNFKJSWRN-LBPRGKRZSA-M    		 COc1cc(cc(c1Br)OCCCC(CCC(=O)[O-])C(=O)[O
    -])Cc2c[nH+]c(nc2N)N; COc1cc(cc(c1Br)OCC
    C[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c
    (nc2N)N; [O-]C(=O)C(CCC([O-])=O)CCCOc1c(
    Br)c(OC)cc(c1)Cc2c(nc(N)[nH+]c2)N; COc1c
    c(Cc2c[nH+]c(N)nc2N)cc(OCCC[CH](CCC([O-]
    )=O)C([O-])=O)c1Br; COc1cc(Cc2c[nH+]c(N)
    nc2N)cc(OCCC[C@@H](CCC([O-])=O)C([O-])=O
    )c1Br    		 BRODIMOPRIM-4,6-DICARBOXYLATE
    15615 BDN 0 C7 H8 N2 InChI=1/C7H8N2/c8-7(9)6-4
    -2-1-3-5-6/h1-5H,(H3,8,9)
    /f/h8H,9H2;
    PXXJHWLDUBFPOL-BAIWCYJPCH    		 NC(=N)c1ccccc1; [N@H]=C(N)c1ccccc1; c1cc
    c(cc1)C(=N)N    		 BENZAMIDINE
    15616 BDO
    ZINC000045245449    		 2 C15 H20 Cl N3 O InChI=1S/C15H20ClN3O/c1-1
    0(2)8-15(3)13(20)19(14(17
    )18-15)9-11-5-4-6-12(16)7
    -11/h4-7,10H,8-9H2,1-3H3,
    (H2,17,18)/t15-/m1/s1;
    SMHLWQCDIJPLEC-OAHLLOKOSA-N    		 CC(C)C[C]1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O;
    [H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C
    )CC(C)C; CC(C)C[C@@]1(C)NC(=N)N(Cc2cccc(
    Cl)c2)C1=O; CC(C)CC1(C(=O)N(C(=N)N1)Cc2c
    ccc(c2)Cl)C    		 (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
    15617 BDP
    CHEMBL1159524
    DB03156
    ZINC000004097543    		 176 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )4(5(10)11)13-6(12)3(1)9/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2-,3+,4-,6+/m0/s1;
    AEMOLEFTQBMNLQ-QIUUJYRFSA-N    		 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C
    (=O)O)O)O; C1(C(C(OC(C1O)O)C(=O)O)O)O; O
    [CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O;
    O=C(O)C1OC(O)C(O)C(O)C1O; O[C@@H]1O[C@@H
    ]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O    		 beta-D-glucopyranuronic acid;
    beta-D-glucuronic acid;
    D-glucuronic acid;
    glucuronic acid
    15618 BDQ
    ZINC000045319614    		 2 C24 H28 N6 O2 InChI=1S/C24H28N6O2/c1-16
    (2)12-24(3)21(31)30(22(26
    )29-24)15-19-6-4-18(5-7-1
    9)14-27-23(32)28-20-10-8-
    17(13-25)9-11-20/h4-11,16
    H,12,14-15H2,1-3H3,(H2,26
    ,29)(H2,27,28,32)/t24-/m1
    /s1;
    CTKHUQYUPSHMQE-XMMPIXPASA-N    		 CC(C)C[C]1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3cc
    c(cc3)C#N)cc2)C1=O; [H]/N=C\1/N[C@](C(=O
    )N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)C
    C(C)C; CC(C)C[C@@]1(C)NC(=N)N(Cc2ccc(CNC
    (=O)Nc3ccc(cc3)C#N)cc2)C1=O; CC(C)CC1(C(
    =O)N(C(=N)N1)Cc2ccc(cc2)CNC(=O)Nc3ccc(cc
    3)C#N)C    		 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
    15619 BDR
    ZINC000003860713    		 6 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4-,5-/m1/s1;
    HMFHBZSHGGEWLO-TXICZTDVSA-N    		 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O; C(C1
    C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](O)
    [CH]1O; C([C@@H]1[C@H]([C@H]([C@@H](O1)O
    )O)O)O; OC1C(OC(O)C1O)CO    		 beta-D-ribofuranose;
    beta-D-ribose;
    D-ribose;
    ribose;
    BETA-D-RIBOFURANOSYL
    15620 BDS
    CHEMBL1231277
    DB02154
    ZINC000012501665    		 2 C20 H18 O8 InChI=1S/C20H18O8/c21-19(
    22)13(5-11-1-3-15-17(7-11
    )27-9-25-15)14(20(23)24)6
    -12-2-4-16-18(8-12)28-10-
    26-16/h1-4,7-8,13-14H,5-6
    ,9-10H2,(H,21,22)(H,23,24
    )/t13-,14-/m0/s1;
    FFYBYVPVYLMLAR-KBPBESRZSA-N    		 OC(=O)[C@@H](Cc1ccc2OCOc2c1)[C@H](Cc3ccc
    4OCOc4c3)C(O)=O; O=C(O)C(Cc2ccc1OCOc1c2)
    C(C(=O)O)Cc3ccc4OCOc4c3; OC(=O)[CH](Cc1c
    cc2OCOc2c1)[CH](Cc3ccc4OCOc4c3)C(O)=O; c
    1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)
    C(=O)O)C(=O)O)OCO2; c1cc2c(cc1CC(C(Cc3cc
    c4c(c3)OCO4)C(=O)O)C(=O)O)OCO2    		 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID
    15621 BDT
    CHEMBL373357
    DB07447
    ZINC000003814418    		 3 C19 H30 O2 InChI=1S/C19H30O2/c1-18-9
    -7-13(20)11-12(18)3-4-14-
    15-5-6-17(21)19(15,2)10-8
    -16(14)18/h12,14-17,21H,3
    -11H2,1-2H3/t12-,14+,15+,
    16+,17+,18+,19+/m1/s1;
    NVKAWKQGWWIWPM-MISPCMORSA-N    		 C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[
    C@]4([C@H]3CC[C@@H]4O)C; C[C]12CC[CH]3[C
    H](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O;
    C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[
    C@]34C)[C@@H]1CC[C@@H]2O; CC12CCC(=O)CC1
    CCC3C2CCC4(C3CCC4O)C; O=C2CC1CCC3C(C1(C)
    CC2)CCC4(C3CCC4O)C    		 5-beta-DIHYDROTESTOSTERONE;
    (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one
    15622 BDU
    ZINC000058626773    		 1 C25 H30 N2 O9 InChI=1S/C25H30N2O9/c1-14
    (28)27-20-18(29)12-25(35-
    2,24(33)34)36-22(20)21(31
    )19(30)13-26-23(32)17-10-
    8-16(9-11-17)15-6-4-3-5-7
    -15/h3-11,18-22,29-31H,12
    -13H2,1-2H3,(H,26,32)(H,2
    7,28)(H,33,34)/t18-,19+,2
    0+,21+,22+,25+/m0/s1;
    WBWCOQWBSRYCDR-TUTCKEIYSA-N    		 O=C(c2ccc(c1ccccc1)cc2)NCC(O)C(O)C3OC(OC
    )(C(=O)O)CC(O)C3NC(=O)C; CO[C@@]1(C[C@H]
    (O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H
    ](O)CNC(=O)c2ccc(cc2)c3ccccc3)C(O)=O; CC
    (=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([
    C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=
    O)O)OC)O; CO[C]1(C[CH](O)[CH](NC(C)=O)[C
    H](O1)[CH](O)[CH](O)CNC(=O)c2ccc(cc2)c3c
    cccc3)C(O)=O; CC(=O)NC1C(CC(OC1C(C(CNC(=
    O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O    		 ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC
    15623 BDV
    ZINC000045258600    		 2 C21 H33 N5 O2 InChI=1S/C21H33N5O2/c1-5-
    6-11-23-20(28)24-13-16-7-
    9-17(10-8-16)14-26-18(27)
    21(4,12-15(2)3)25-19(26)2
    2/h7-10,15H,5-6,11-14H2,1
    -4H3,(H2,22,25)(H2,23,24,
    28)/t21-/m1/s1;
    VPGRKPRUHRVZER-OAQYLSRUSA-N    		 CCCCNC(=O)NCc1ccc(CN2C(=N)N[C](C)(CC(C)C
    )C2=O)cc1; CCCCNC(=O)NCc1ccc(CN2C(=N)N[C
    @](C)(CC(C)C)C2=O)cc1; CCCCNC(=O)NCc1ccc
    (cc1)CN2C(=O)C(NC2=N)(C)CC(C)C; [H]/N=C\
    1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(
    C)CC(C)C    		 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
    15624 BDW
    CHEMBL1231280
    ZINC000045320343    		 2 C32 H49 N5 O2 InChI=1S/C32H49N5O2/c1-2-
    9-28-23-36(31(39)34-28)21
    -26-14-16-27(17-15-26)22-
    37-29(38)32(35-30(37)33,2
    0-25-12-7-4-8-13-25)19-18
    -24-10-5-3-6-11-24/h14-17
    ,24-25,28H,2-13,18-23H2,1
    H3,(H2,33,35)(H,34,39)/t2
    8-,32+/m0/s1;
    SILGEXOUELDSRZ-GMCHKSTQSA-N    		 [H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C
    @@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5; CC
    CC1CN(C(=O)N1)Cc2ccc(cc2)CN3C(=O)C(NC3=N
    )(CCC4CCCCC4)CC5CCCCC5; CCC[CH]1CN(Cc2cc
    c(CN3C(=N)N[C](CCC4CCCCC4)(CC5CCCCC5)C3=
    O)cc2)C(=O)N1; CCC[C@H]1CN(Cc2ccc(CN3C(=
    N)N[C@](CCC4CCCCC4)(CC5CCCCC5)C3=O)cc2)C
    (=O)N1    		 (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
    15625 BDX
    CHEMBL583178
    ZINC000034417080    		 2 C19 H33 N3 O InChI=1S/C19H33N3O/c1-22-
    17(23)19(21-18(22)20,14-1
    6-10-6-3-7-11-16)13-12-15
    -8-4-2-5-9-15/h15-16H,2-1
    4H2,1H3,(H2,20,21)/t19-/m
    1/s1;
    SVQNYPQKWMFQJJ-LJQANCHMSA-N    		 CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCCC3; [
    H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3C
    CCCC3; CN1C(=N)N[C](CCC2CCCCC2)(CC3CCCCC
    3)C1=O; CN1C(=N)N[C@](CCC2CCCCC2)(CC3CCC
    CC3)C1=O    		 (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
    15626 BDY
    ZINC000044460263    		 1 C27 H30 Cl2 N6 O InChI=1S/C27H30Cl2N6O/c28
    -22-6-3-7-23(29)21(22)15-
    32-26-25(30)31-16-24(33-2
    6)18-8-10-19(11-9-18)27(3
    6)35-14-4-5-20(35)17-34-1
    2-1-2-13-34/h3,6-11,16,20
    H,1-2,4-5,12-15,17H2,(H2,
    30,31)(H,32,33)/t20-/m1/s
    1;
    PVBCEWZVPUKFNT-HXUWFJFHSA-N    		 Nc1ncc(nc1NCc2c(Cl)cccc2Cl)c3ccc(cc3)C(=
    O)N4CCC[C@@H]4CN5CCCC5; c1cc(c(c(c1)Cl)C
    Nc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4C
    N5CCCC5)N)Cl; c1cc(c(c(c1)Cl)CNc2c(ncc(n
    2)c3ccc(cc3)C(=O)N4CCCC4CN5CCCC5)N)Cl; N
    c1ncc(nc1NCc2c(Cl)cccc2Cl)c3ccc(cc3)C(=O
    )N4CCC[CH]4CN5CCCC5    		 N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine
    15627 BDZ 0 C26 H45 N O19 InChI=1S/C26H45NO19/c1-6-
    12(31)15(34)18(37)24(40-6
    )45-21-11(27-8(3)30)23(39
    )42-10(5-29)20(21)44-26-2
    2(17(36)14(33)9(4-28)43-2
    6)46-25-19(38)16(35)13(32
    )7(2)41-25/h6-7,9-26,28-2
    9,31-39H,4-5H2,1-3H3,(H,2
    7,30)/t6-,7-,9+,10+,11+,1
    2+,13+,14-,15+,16+,17-,18
    -,19-,20+,21+,22+,23+,24-
    ,25-,26-/m0/s1;
    SRHNADOZAAWYLV-XLMUYGLTSA-N    		 C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)
    O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O
    )[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O
    )[CH](O)[CH](O)[CH]1O; C[C@@H]1O[C@@H](O
    [C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H
    ]2O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C
    )=O)[C@H]3O[C@@H]4O[C@@H](C)[C@@H](O)[C@
    @H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]1O
    ; CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O
    3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)CO)O)NC(=
    O)C)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@
    @H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H
    ]2O[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
    )C)O)O)O)CO)O)NC(=O)C)O)O)O    		 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-D-glucopyranose
    15628 BE0
    CHEMBL169370
    ZINC000001714266    		 2 C5 H12 N2 O2 S InChI=1S/C5H12N2O2S/c6-10
    (8,9)7-4-2-1-3-5-7/h1-5H2
    ,(H2,6,8,9);
    FLKRMXAWABTWSH-UHFFFAOYSA-N    		 O=S(=O)(N)N1CCCCC1; C1CCN(CC1)S(=O)(=O)N
    ; N[S](=O)(=O)N1CCCCC1    		 piperidine-1-sulfonamide
    15629 BE1
    DB02257
    ZINC000003874382    		 0 C4 H9 Br N O5 P InChI=1S/C4H9BrNO5P/c1-4(
    7)6(5)2-3-11-12(8,9)10/h2
    -3H2,1H3,(H2,8,9,10);
    DPNUMPJWOVYEOX-UHFFFAOYSA-N    		 O=P(O)(OCCN(Br)C(=O)C)O; CC(=O)N(CCOP(=O
    )(O)O)Br; CC(=O)N(Br)CCO[P](O)(O)=O    		 N-BROMOACETYL-AMINOETHYL PHOSPHATE
    15630 BE2
    CHEMBL14173
    DB04166
    ZINC000000047985    		 66 C7 H7 N O2 InChI=1S/C7H7NO2/c8-6-4-2
    -1-3-5(6)7(9)10/h1-4H,8H2
    ,(H,9,10);
    RWZYAGGXGHYGMB-UHFFFAOYSA-N    		 Nc1ccccc1C(O)=O; O=C(O)c1ccccc1N; c1ccc(
    c(c1)C(=O)O)N    		 2-AMINOBENZOIC ACID
    15631 BE3
    ZINC000024691918    		 2 C38 H38 F2 N2 O8 InChI=1S/C38H38F2N2O8/c39
    -25-11-5-7-21(15-25)19-49
    -35(37(47)41-31-27-13-3-1
    -9-23(27)17-29(31)43)33(4
    5)34(46)36(50-20-22-8-6-1
    2-26(40)16-22)38(48)42-32
    -28-14-4-2-10-24(28)18-30
    (32)44/h1-16,29-36,43-46H
    ,17-20H2,(H,41,47)(H,42,4
    8)/t29-,30-,31+,32+,33-,3
    4-,35-,36-/m1/s1;
    FSNSRNCFARXZOP-JQFCFGFHSA-N    		 O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3
    cccc(F)c3)[C@H](O)[C@@H](O)[C@@H](OCc4cc
    cc(F)c4)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56;
    Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O
    )C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6
    O; O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3cc
    cc(F)c3)[CH](O)[CH](O)[CH](OCc4cccc(F)c4
    )C(=O)N[CH]5[CH](O)Cc6ccccc56; c1ccc2c(c
    1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3
    O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O; c1c
    cc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]
    ([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3
    O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O    		 N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL];
    INHIBITOR BEA403
    15632 BE4
    ZINC000024691913    		 2 C38 H36 F4 N2 O8 InChI=1S/C38H36F4N2O8/c39
    -23-11-9-21(27(41)15-23)1
    7-51-35(37(49)43-31-25-7-
    3-1-5-19(25)13-29(31)45)3
    3(47)34(48)36(52-18-22-10
    -12-24(40)16-28(22)42)38(
    50)44-32-26-8-4-2-6-20(26
    )14-30(32)46/h1-12,15-16,
    29-36,45-48H,13-14,17-18H
    2,(H,43,49)(H,44,50)/t29-
    ,30-,31+,32+,33-,34-,35-,
    36-/m1/s1;
    YVNITSOLRPDTNX-JQFCFGFHSA-N    		 O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccc(F
    )cc3F)[CH](O)[CH](O)[CH](OCc4ccc(F)cc4F)
    C(=O)N[CH]5[CH](O)Cc6ccccc56; Fc1ccc(c(F
    )c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(O
    Cc4ccc(F)cc4F)C(=O)NC6c5ccccc5CC6O; O[C@
    @H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3ccc(
    F)cc3F)[C@H](O)[C@@H](O)[C@@H](OCc4ccc(F
    )cc4F)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56; c
    1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4c
    cccc4CC3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6
    F)F)O; c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@
    @H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccc
    cc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(c
    c6F)F)O    		 (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE;
    INHIBITOR BEA403
    15633 BE5
    ZINC000024691948    		 2 C38 H36 F4 N2 O8 InChI=1S/C38H36F4N2O8/c39
    -25-13-5-9-21(29(25)41)17
    -51-35(37(49)43-31-23-11-
    3-1-7-19(23)15-27(31)45)3
    3(47)34(48)36(52-18-22-10
    -6-14-26(40)30(22)42)38(5
    0)44-32-24-12-4-2-8-20(24
    )16-28(32)46/h1-14,27-28,
    31-36,45-48H,15-18H2,(H,4
    3,49)(H,44,50)/t27-,28-,3
    1+,32+,33-,34-,35-,36-/m1
    /s1;
    FJIRQAXCBOCEQN-QHNIKEGDSA-N    		 c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4
    ccccc4CC3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c
    6F)F)O; Fc1cccc(c1F)COC(C(=O)NC3c2ccccc2
    CC3O)C(O)C(O)C(OCc4cccc(F)c4F)C(=O)NC6c5
    ccccc5CC6O; O[C@@H]1Cc2ccccc2[C@@H]1NC(=
    O)[C@H](OCc3cccc(F)c3F)[C@H](O)[C@@H](O)
    [C@@H](OCc4cccc(F)c4F)C(=O)N[C@@H]5[C@H]
    (O)Cc6ccccc56; c1ccc2c(c1)C[C@H]([C@H]2N
    C(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@
    H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)O
    Cc6cccc(c6F)F)O; O[CH]1Cc2ccccc2[CH]1NC(
    =O)[CH](OCc3cccc(F)c3F)[CH](O)[CH](O)[CH
    ](OCc4cccc(F)c4F)C(=O)N[CH]5[CH](O)Cc6cc
    ccc56    		 (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE;
    HIV-1 INHIBITOR
    15634 BE6
    ZINC000024692160    		 2 C38 H36 F4 N2 O8 InChI=1S/C38H36F4N2O8/c39
    -23-9-11-27(41)21(13-23)1
    7-51-35(37(49)43-31-25-7-
    3-1-5-19(25)15-29(31)45)3
    3(47)34(48)36(52-18-22-14
    -24(40)10-12-28(22)42)38(
    50)44-32-26-8-4-2-6-20(26
    )16-30(32)46/h1-14,29-36,
    45-48H,15-18H2,(H,43,49)(
    H,44,50)/t29-,30-,31+,32+
    ,33-,34-,35-,36-/m1/s1;
    MHRYDJWKKUNWJY-JQFCFGFHSA-N    		 c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4
    ccccc4CC3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc
    6F)F)O; O[CH]1Cc2ccccc2[CH]1NC(=O)[CH](O
    Cc3cc(F)ccc3F)[CH](O)[CH](O)[CH](OCc4cc(
    F)ccc4F)C(=O)N[CH]5[CH](O)Cc6ccccc56; O[
    C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3cc
    (F)ccc3F)[C@H](O)[C@@H](O)[C@@H](OCc4cc(
    F)ccc4F)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56;
    Fc1cc(c(F)cc1)COC(C(=O)NC3c2ccccc2CC3O)
    C(O)C(O)C(OCc4cc(F)ccc4F)C(=O)NC6c5ccccc
    5CC6O; c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@
    @H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccc
    cc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(cc
    c6F)F)O    		 (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE;
    HIV-1 INHIBITOR
    15635 BE7 0 C7 H5 Cl Hg O2 InChI=1S/C7H5O2.ClH.Hg/c8
    -7(9)6-4-2-1-3-5-6;;/h2-5
    H,(H,8,9);1H;/q;;+1/p-1;
    YFZOUMNUDGGHIW-UHFFFAOYSA-M    		 O=C(O)c1ccc([Hg]Cl)cc1; OC(=O)c1ccc([Hg]
    Cl)cc1; c1cc(ccc1C(=O)O)[Hg]Cl    		 (4-CARBOXYPHENYL)(CHLORO)MERCURY;
    P-CHLOROMERCURIBENZOIC ACID;
    (4-carboxyphenyl)-chloranyl-mercury
    15636 BE8
    CHEMBL453455
    ZINC000169871431    		 1 C29 H54 B N5 O7 S InChI=1S/C29H54BN5O7S/c1-
    27(2,3)19(16-34(9)43(10,4
    1)42)31-26(38)33-23(28(4,
    5)6)25(37)35-15-18-21(29(
    18,7)8)22(35)24(36)32-20(
    30(39)40)14-17-12-11-13-1
    7/h17-23,39-40H,11-16H2,1
    -10H3,(H,32,36)(H2,31,33,
    38)/t18-,19+,20-,21-,22-,
    23+/m0/s1;
    KGZWDDBJGGJYLY-WKOLOUIMSA-N    		 B(C(CC1CCC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C
    (C(C)(C)C)NC(=O)NC(CN(C)S(=O)(=O)C)C(C)(
    C)C)(O)O; CN(C[C@@H](NC(=O)N[C@H](C(=O)N
    1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC3CCC
    3)B(O)O)C2(C)C)C(C)(C)C)C(C)(C)C)[S](C)(
    =O)=O; B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@
    H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)
    NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O
    )O; O=C(N3C(C(=O)NC(B(O)O)CC1CCC1)C2C(C)
    (C2C3)C)C(NC(=O)NC(C(C)(C)C)CN(C)S(=O)(=
    O)C)C(C)(C)C; CN(C[CH](NC(=O)N[CH](C(=O)
    N1C[CH]2[CH]([CH]1C(=O)N[CH](CC3CCC3)B(O
    )O)C2(C)C)C(C)(C)C)C(C)(C)C)[S](C)(=O)=O    		 [(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
    15637 BE9
    ZINC000066167002    		 1 C11 H15 N3 O4 S InChI=1S/C11H15N3O4S/c12-
    19(15,16)13-11(14-6-8-17-
    9-7-14)18-10-4-2-1-3-5-10
    /h1-5H,6-9H2,(H2,12,15,16
    )/b13-11-;
    ODXJJHKPSWXDMI-QBFSEMIESA-N    		 c1ccc(cc1)OC(=NS(=O)(=O)N)N2CCOCC2; N[S]
    (=O)(=O)N=C(Oc1ccccc1)N2CCOCC2; O=S(=O)(
    /N=C(\Oc1ccccc1)N2CCOCC2)N; c1ccc(cc1)O/
    C(=N\S(=O)(=O)N)/N2CCOCC2    		 phenyl N-sulfamoylmorpholine-4-carboximidoate
    15638 BEA 3 C9 H8 N3 S InChI=1S/C9H7N3S/c1-6-3-2
    -4-7-8(6)12-5-10-11-9(12)
    13-7/h2-5H,1H3/p+1;
    DQJCHOQLCLEDLL-UHFFFAOYSA-O    		 Cc1cccc2sc3[nH+]ncn3c12; Cc1cccc2c1n3cn[
    nH+]c3s2; n2[nH+]c3sc1c(c(ccc1)C)n3c2    		 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE;
    TRICYCLAZOLE
    15639 BEB
    CHEMBL367384
    ZINC000004424152    		 2 C38 H40 N2 O8 InChI=1S/C38H40N2O8/c41-2
    9-19-25-15-7-9-17-27(25)3
    1(29)39-37(45)35(47-21-23
    -11-3-1-4-12-23)33(43)34(
    44)36(48-22-24-13-5-2-6-1
    4-24)38(46)40-32-28-18-10
    -8-16-26(28)20-30(32)42/h
    1-18,29-36,41-44H,19-22H2
    ,(H,39,45)(H,40,46)/t29-,
    30-,31+,32+,33-,34-,35-,3
    6-/m1/s1;
    UOHMQWQGAJAUGT-JQFCFGFHSA-N    		 c1ccc(cc1)COC(C(C(C(C(=O)NC2c3ccccc3CC2O
    )OCc4ccccc4)O)O)C(=O)NC5c6ccccc6CC5O; O[
    CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3)
    [CH](O)[CH](O)[CH](OCc4ccccc4)C(=O)N[CH]
    5[CH](O)Cc6ccccc56; O=C(NC2c1ccccc1CC2O)
    C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)N
    C6c5ccccc5CC6O; O[C@@H]1Cc2ccccc2[C@@H]1
    NC(=O)[C@H](OCc3ccccc3)[C@H](O)[C@@H](O)
    [C@@H](OCc4ccccc4)C(=O)N[C@@H]5[C@H](O)C
    c6ccccc56; c1ccc(cc1)CO[C@H]([C@@H]([C@H
    ]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc
    4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O    		 N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL];
    INHIBITOR BEA369
    15640 BEC
    CHEMBL573887
    DB04255
    ZINC000024495650    		 2 C35 H43 N3 O8 InChI=1S/C35H43N3O8/c1-21
    (2)27(33(42)36-3)37-34(43
    )31(45-19-22-12-6-4-7-13-
    22)29(40)30(41)32(46-20-2
    3-14-8-5-9-15-23)35(44)38
    -28-25-17-11-10-16-24(25)
    18-26(28)39/h4-17,21,26-3
    2,39-41H,18-20H2,1-3H3,(H
    ,36,42)(H,37,43)(H,38,44)
    /t26-,27+,28+,29-,30-,31-
    ,32-/m1/s1;
    VZNNJZGVQVNHCM-CDNLURBZSA-N    		 CNC(=O)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O
    )[CH](O)[CH](OCc2ccccc2)C(=O)N[CH]3[CH](
    O)Cc4ccccc34)C(C)C; CC(C)[C@@H](C(=O)NC)
    NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C
    @H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4
    ccccc4; O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)
    C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(
    C)C; CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)N
    C1c2ccccc2CC1O)OCc3ccccc3)O)O)OCc4ccccc4
    ; CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[
    C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N
    [C@@H]3[C@H](O)Cc4ccccc34)C(C)C    		 [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE;
    INHIBITOR BEA388
    15641 BED
    DB02629
    ZINC000024495662    		 2 C38 H38 F2 N2 O8 InChI=1S/C38H38F2N2O8/c39
    -27-15-7-3-11-23(27)19-49
    -35(37(47)41-31-25-13-5-1
    -9-21(25)17-29(31)43)33(4
    5)34(46)36(50-20-24-12-4-
    8-16-28(24)40)38(48)42-32
    -26-14-6-2-10-22(26)18-30
    (32)44/h1-16,29-36,43-46H
    ,17-20H2,(H,41,47)(H,42,4
    8)/t29-,30-,31+,32+,33-,3
    4-,35-,36-/m1/s1;
    LYHLPPXMBKMSSZ-JQFCFGFHSA-N    		 c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4
    ccccc4CC3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O
    ; Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)
    C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O;
    c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@
    @H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@
    H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O; O[C@
    @H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3cccc
    c3F)[C@H](O)[C@@H](O)[C@@H](OCc4ccccc4F)
    C(=O)N[C@@H]5[C@H](O)Cc6ccccc56; O[CH]1C
    c2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3F)[CH]
    (O)[CH](O)[CH](OCc4ccccc4F)C(=O)N[CH]5[C
    H](O)Cc6ccccc56    		 N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL];
    INHIBITOR BEA403
    15642 BEE
    CHEMBL127214
    DB04547
    ZINC000095548316    		 2 C40 H50 N4 O8 S2 InChI=1S/C40H50N4O8S2/c1-
    23(2)31(37(47)41-5)43-39(
    49)35(51-19-25-7-11-27(12
    -8-25)29-15-17-53-21-29)3
    3(45)34(46)36(40(50)44-32
    (24(3)4)38(48)42-6)52-20-
    26-9-13-28(14-10-26)30-16
    -18-54-22-30/h7-18,21-24,
    31-36,45-46H,19-20H2,1-6H
    3,(H,41,47)(H,42,48)(H,43
    ,49)(H,44,50)/t31-,32-,33
    +,34+,35+,36+/m0/s1;
    AJZAPEZJWWQJHC-UWNKZCSISA-N    		 CNC(=O)[CH](NC(=O)[CH](OCc1ccc(cc1)c2csc
    c2)[CH](O)[CH](O)[CH](OCc3ccc(cc3)c4cscc
    4)C(=O)N[CH](C(C)C)C(=O)NC)C(C)C; CC(C)C
    (C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=
    O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3
    )c4ccsc4; CC(C)[C@@H](C(=O)NC)NC(=O)[C@@
    H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C
    )C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc
    (cc3)c4ccsc4; CNC(=O)[C@@H](NC(=O)[C@H](
    OCc1ccc(cc1)c2cscc2)[C@H](O)[C@@H](O)[C@
    @H](OCc3ccc(cc3)c4cscc4)C(=O)N[C@@H](C(C
    )C)C(=O)NC)C(C)C; O=C(NC)C(NC(=O)C(OCc2c
    cc(c1ccsc1)cc2)C(O)C(O)C(OCc4ccc(c3ccsc3
    )cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C    		 N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE];
    INHIBITOR BEA409
    15643 BEF 955 Be F3 InChI=1S/Be.3FH/h;3*1H/q+
    2;;;/p-3;
    OGIAHMCCNXDTIE-UHFFFAOYSA-K    		 [Be-](F)(F)F; F[Be-](F)F BERYLLIUM TRIFLUORIDE ION
    15644 BEG
    DB04190
    ZINC000024465909    		 2 C38 H40 N2 O7 InChI=1S/C38H40N2O7/c41-3
    0-19-26-15-7-9-17-28(26)3
    4(30)39-37(44)33(46-22-24
    -11-3-1-4-12-24)21-32(43)
    36(47-23-25-13-5-2-6-14-2
    5)38(45)40-35-29-18-10-8-
    16-27(29)20-31(35)42/h1-1
    8,30-36,41-43H,19-23H2,(H
    ,39,44)(H,40,45)/t30-,31-
    ,32-,33-,34+,35+,36-/m1/s
    1;
    AHAVBKNGKPWROK-UMFPTGFGSA-N    		 O[C@H](C[C@@H](OCc1ccccc1)C(=O)N[C@@H]2[
    C@H](O)Cc3ccccc23)[C@@H](OCc4ccccc4)C(=O
    )N[C@@H]5[C@H](O)Cc6ccccc56; c1ccc(cc1)C
    O[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3
    C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6cccc
    c6C[C@H]5O; c1ccc(cc1)COC(CC(C(C(=O)NC2c
    3ccccc3CC2O)OCc4ccccc4)O)C(=O)NC5c6ccccc
    6CC5O; O[CH](C[CH](OCc1ccccc1)C(=O)N[CH]
    2[CH](O)Cc3ccccc23)[CH](OCc4ccccc4)C(=O)
    N[CH]5[CH](O)Cc6ccccc56; O=C(NC2c1ccccc1
    CC2O)C(OCc3ccccc3)CC(O)C(OCc4ccccc4)C(=O
    )NC6c5ccccc5CC6O    		 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE];
    INHIBITOR BEA425
    15645 BEH
    ZINC000024465897    		 2 C36 H38 N2 O7 InChI=1S/C36H38N2O7/c39-2
    9-20-27-18-10-11-19-28(27
    )30(29)38-36(43)34(45-23-
    26-16-8-3-9-17-26)32(41)3
    1(40)33(44-22-25-14-6-2-7
    -15-25)35(42)37-21-24-12-
    4-1-5-13-24/h1-19,29-34,3
    9-41H,20-23H2,(H,37,42)(H
    ,38,43)/t29-,30+,31-,32-,
    33-,34-/m1/s1;
    KMCYORONTQQGJB-VQEIZDKSSA-N    		 O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3
    ccccc3)[C@H](O)[C@@H](O)[C@@H](OCc4ccccc
    4)C(=O)NCc5ccccc5; O=C(NCc1ccccc1)C(OCc2
    ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4cc
    ccc4CC5O; O[CH]1Cc2ccccc2[CH]1NC(=O)[CH]
    (OCc3ccccc3)[CH](O)[CH](O)[CH](OCc4ccccc
    4)C(=O)NCc5ccccc5; c1ccc(cc1)CNC(=O)[C@@
    H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3cccc
    c3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5; c1
    ccc(cc1)CNC(=O)C(C(C(C(C(=O)NC2c3ccccc3C
    C2O)OCc4ccccc4)O)O)OCc5ccccc5    		 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE;
    INHIBITOR BEA435
    15646 BEI
    DB03908
    ZINC000024495494    		 2 C34 H50 N4 O8 InChI=1S/C34H50N4O8/c1-7-
    21(3)25(31(41)35-5)37-33(
    43)29(45-19-23-15-11-9-12
    -16-23)27(39)28(40)30(46-
    20-24-17-13-10-14-18-24)3
    4(44)38-26(22(4)8-2)32(42
    )36-6/h9-18,21-22,25-30,3
    9-40H,7-8,19-20H2,1-6H3,(
    H,35,41)(H,36,42)(H,37,43
    )(H,38,44)/t21-,22-,25-,2
    6-,27+,28+,29+,30+/m0/s1;
    GLKONBHDVMFJNJ-XAOMMOPXSA-N    		 CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C
    @@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)C
    C)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2; O=C
    (NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2c
    cccc2)C(=O)NC(C(=O)NC)C(C)CC)C(C)CC; CC[
    CH](C)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O)
    [CH](O)[CH](OCc2ccccc2)C(=O)N[CH]([CH](C
    )CC)C(=O)NC)C(=O)NC; CCC(C)C(C(=O)NC)NC(
    =O)C(C(C(C(C(=O)NC(C(C)CC)C(=O)NC)OCc1cc
    ccc1)O)O)OCc2ccccc2; CC[C@H](C)[C@H](NC(
    =O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@
    @H](OCc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)
    C(=O)NC)C(=O)NC    		 N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE];
    INHIBITOR BEA322
    15647 BEJ
    CHEMBL123850
    DB02683
    ZINC000095547578    		 2 C42 H52 N6 O8 InChI=1S/C42H52N6O8/c1-25
    (2)33(39(51)43-5)47-41(53
    )37(55-23-27-11-15-29(16-
    12-27)31-9-7-19-45-21-31)
    35(49)36(50)38(42(54)48-3
    4(26(3)4)40(52)44-6)56-24
    -28-13-17-30(18-14-28)32-
    10-8-20-46-22-32/h7-22,25
    -26,33-38,49-50H,23-24H2,
    1-6H3,(H,43,51)(H,44,52)(
    H,47,53)(H,48,54)/t33-,34
    -,35+,36+,37+,38+/m0/s1;
    FOBRXMROTNVGST-CXPJILFNSA-N    		 CNC(=O)[CH](NC(=O)[CH](OCc1ccc(cc1)c2ccc
    nc2)[CH](O)[CH](O)[CH](OCc3ccc(cc3)c4ccc
    nc4)C(=O)N[CH](C(C)C)C(=O)NC)C(C)C; CC(C
    )C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C
    (=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(
    cc3)c4cccnc4; CC(C)[C@@H](C(=O)NC)NC(=O)
    [C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C
    (C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OC
    c3ccc(cc3)c4cccnc4; CNC(=O)[C@@H](NC(=O)
    [C@H](OCc1ccc(cc1)c2cccnc2)[C@H](O)[C@@H
    ](O)[C@@H](OCc3ccc(cc3)c4cccnc4)C(=O)N[C
    @@H](C(C)C)C(=O)NC)C(C)C; O=C(NC)C(NC(=O
    )C(OCc2ccc(c1cccnc1)cc2)C(O)C(O)C(OCc4cc
    c(c3cccnc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C
    )C    		 N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE];
    INHIBITOR BEA428
    15648 BEK
    DB01827
    ZINC000012501151    		 1 C8 H5 F4 N O2 InChI=1S/C8H5F4NO2/c1-15-
    7-5(11)3(9)2(8(13)14)4(10
    )6(7)12/h1H3,(H2,13,14);
    JTXPTSGPUNTKSM-UHFFFAOYSA-N    		 COc1c(c(c(c(c1F)F)C(=O)N)F)F; Fc1c(F)c(c
    (F)c(F)c1OC)C(=O)N; COc1c(F)c(F)c(C(N)=O
    )c(F)c1F    		 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE
    15649 BEL
    DB04138
    ZINC000053684326    		 2 C14 H14 Br2 N4 O7 InChI=1S/C14H14Br2N4O7/c1
    5-1-3-18(4-2-16)12-5-10(1
    4(23)17-7-9(22)8-21)11(19
    (24)25)6-13(12)20(26)27/h
    5-6,8H,1-4,7H2,(H,17,23);
    LECLJMCDJUEAKI-UHFFFAOYSA-N    		 c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+]
    (=O)[O-])C(=O)NCC(=O)C=O; [O-][N+](=O)c1
    cc(c(cc1N(CCBr)CCBr)C(=O)NCC(=O)C=O)[N+]
    ([O-])=O; O=CC(=O)CNC(=O)c1cc(N(CCBr)CCB
    r)c(cc1[N+]([O-])=O)[N+]([O-])=O    		 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE
    15650 BEM
    ZINC000004095780    		 183 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )4(5(10)11)13-6(12)3(1)9/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2-,3-,4-,6+/m0/s1;
    AEMOLEFTQBMNLQ-SYJWYVCOSA-N    		 [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(
    =O)O)O)O; C1(C(C(OC(C1O)O)C(=O)O)O)O; O[
    CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O; O
    =C(O)C1OC(O)C(O)C(O)C1O; O[C@@H]1O[C@@H]
    ([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O    		 beta-D-mannopyranuronic acid;
    beta-D-mannuronic acid;
    D-mannuronic acid;
    mannuronic acid;
    (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
    15651 BEN
    CHEMBL20936
    ZINC000000036634    		 64 C7 H8 N2 InChI=1S/C7H8N2/c8-7(9)6-
    4-2-1-3-5-6/h1-5H,(H3,8,9
    );
    PXXJHWLDUBFPOL-UHFFFAOYSA-N    		 [H]/N=C(\c1ccccc1)/N; NC(=N)c1ccccc1; [N
    @H]=C(N)c1ccccc1; [H]N=C(c1ccccc1)N    		 BENZAMIDINE
    15652 BEO
    CHEMBL1213528
    DB02074
    ZINC000000901132    		 7 C4 H6 O2 InChI=1S/C4H6O2/c1-2-3-4(
    5)6/h2-3H,1H3,(H,5,6)/b3-
    2+;
    LDHQCZJRKDOVOX-NSCUHMNNSA-N    		 O=C(O)/C=C/C; CC=CC(O)=O; C/C=C/C(O)=O;
    CC=CC(=O)O    		 BUTENOIC ACID
    15653 BEP
    CHEMBL251075
    ZINC000003830283    		 5 C24 H34 N2 O InChI=1S/C24H34N2O/c1-21(
    2)19-27-20-24(25-15-9-10-
    16-25)18-26(23-13-7-4-8-1
    4-23)17-22-11-5-3-6-12-22
    /h3-8,11-14,21,24H,9-10,1
    5-20H2,1-2H3/t24-/m0/s1;
    UIEATEWHFDRYRU-DEOSSOPVSA-N    		 CC(C)COC[C@H](CN(Cc1ccccc1)c2ccccc2)N3CC
    CC3; CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3C
    CCC3; CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2c
    cccc2)N3CCCC3; O(CC(C)C)CC(N1CCCC1)CN(c2
    ccccc2)Cc3ccccc3; CC(C)COC[CH](CN(Cc1ccc
    cc1)c2ccccc2)N3CCCC3    		 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE;
    BEPRIDIL
    15654 BEQ
    CHEMBL1231297    		 1 C19 H38 N2 O3 InChI=1S/C19H38N2O3/c1-4-
    5-6-7-8-9-10-11-12-14-18(
    22)20-15-13-16-21(2,3)17-
    19(23)24/h4-17H2,1-3H3,(H
    -,20,22,23,24);
    MRUAUOIMASANKQ-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
    ; [O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C
    )C; CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)
    [O-]    		 N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT;
    N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE;
    COCOAMIDOPROPYLBETAINE
    15655 BER
    CHEMBL295124
    DB04115
    ZINC000003779067    		 25 C20 H18 N O4 InChI=1S/C20H18NO4/c1-22-
    17-4-3-12-7-16-14-9-19-18
    (24-11-25-19)8-13(14)5-6-
    21(16)10-15(12)20(17)23-2
    /h3-4,7-10H,5-6,11H2,1-2H
    3/q+1;
    YBHILYKTIRIUTE-UHFFFAOYSA-N    		 COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)O
    CO5; O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)
    c3c[n+]4CC5; COc1ccc2cc3c4cc5OCOc5cc4CC[
    n+]3cc2c1OC    		 BERBERINE
    15656 BES
    CHEMBL29292
    DB03424
    ZINC000001542895    		 77 C16 H24 N2 O4 InChI=1S/C16H24N2O4/c1-10
    (2)8-13(16(21)22)18-15(20
    )14(19)12(17)9-11-6-4-3-5
    -7-11/h3-7,10,12-14,19H,8
    -9,17H2,1-2H3,(H,18,20)(H
    ,21,22)/t12-,13+,14+/m1/s
    1;
    VGGGPCQERPFHOB-RDBSUJKOSA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C
    c1ccccc1)N)O; CC(C)C[C@H](NC(=O)[C@@H](O
    )[C@H](N)Cc1ccccc1)C(O)=O; O=C(O)C(NC(=O
    )C(O)C(N)Cc1ccccc1)CC(C)C; CC(C)CC(C(=O)
    O)NC(=O)C(C(Cc1ccccc1)N)O; CC(C)C[CH](NC
    (=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O    		 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID;
    BESTATIN
    15657 BET
    CHEMBL95889
    DB04455
    ZINC000001532728    		 0 C5 H12 N O2 InChI=1S/C5H11NO2/c1-6(2,
    3)4-5(7)8/h4H2,1-3H3/p+1;
    KWIUHFFTVRNATP-UHFFFAOYSA-O    		 C[N+](C)(C)CC(=O)O; C[N+](C)(C)CC(O)=O;
    O=C(O)C[N+](C)(C)C    		 TRIMETHYL GLYCINE
    15658 BEU
    ZINC000016052248    		 2 C9 H16 N2 O4 InChI=1S/C9H16N2O4/c1-4(1
    3)11-7-6(10)2-5(3-12)8(14
    )9(7)15/h2,6-9,12,14-15H,
    3,10H2,1H3,(H,11,13)/t6-,
    7+,8-,9-/m1/s1;
    WWUMIYBLWZAJTD-BZNPZCIMSA-N    		 CC(=O)N[C@H]1[C@H](N)C=C(CO)[C@@H](O)[C@
    @H]1O; O=C(NC1C(C=C(C(O)C1O)CO)N)C; CC(=
    O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)
    N; CC(=O)N[CH]1[CH](N)C=C(CO)[CH](O)[CH]
    1O; CC(=O)NC1C(C=C(C(C1O)O)CO)N    		 N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE;
    2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE
    15659 BEV
    ZINC000039121671    		 1 C3 H7 N3 O2 S2 InChI=1S/C3H7N3O2S2/c4-10
    (7,8)6-3-5-1-2-9-3/h1-2H2
    ,(H,5,6)(H2,4,7,8);
    CFSSYZATGDLVQN-UHFFFAOYSA-N    		 C1CS/C(=N\S(=O)(=O)N)/N1; C1CSC(=NS(=O)(
    =O)N)N1; N[S](=O)(=O)N=C1NCCS1; O=S(=O)(
    /N=C1\SCCN1)N    		 N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide
    15660 BEW
    ZINC000103533967    		 3 C5 H6 N O S InChI=1S/C5H5NOS/c7-6-4-2
    -1-3-5(6)8/h1-4,7H/p+1;
    YBBJKCMMCRQZMA-UHFFFAOYSA-O    		 c1cc[n+](c(c1)S)O; O[n+]1ccccc1S 1-hydroxy-2-sulfanylpyridinium
    15661 BEX
    ZINC000066166091    		 1 C15 H19 N3 O5 S InChI=1S/C15H19N3O5S/c1-2
    1-13-9-8-11(10-14(13)22-2
    )17-15(18-24(16,19)20)23-
    12-6-4-3-5-7-12/h3-10,15,
    17-18H,1-2H3,(H2,16,19,20
    )/t15-/m1/s1;
    YJTSCHAMOBJRMX-OAHLLOKOSA-N    		 COc1ccc(N[CH](N[S](N)(=O)=O)Oc2ccccc2)cc
    1OC; COc1ccc(cc1OC)NC(NS(=O)(=O)N)Oc2ccc
    cc2; O=S(=O)(N)NC(Oc1ccccc1)Nc2cc(OC)c(O
    C)cc2; COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)
    Oc2ccccc2; COc1ccc(N[C@H](N[S](N)(=O)=O)
    Oc2ccccc2)cc1OC    		 N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
    15662 BEY
    CHEMBL393949
    DB07448
    ZINC000013522020    		 13 C19 H24 N O4 P InChI=1S/C19H24NO4P/c20-1
    8(12-11-15-7-3-1-4-8-15)2
    5(23,24)14-17(19(21)22)13
    -16-9-5-2-6-10-16/h1-10,1
    7-18H,11-14,20H2,(H,21,22
    )(H,23,24)/t17-,18+/m1/s1;
    QELOIXSGJMIHBZ-MSOLQXFVSA-N    		 N[C@H](CCc1ccccc1)[P@@](O)(=O)C[C@@H](Cc
    2ccccc2)C(O)=O; c1ccc(cc1)CC[C@@H](N)[P@
    @](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O; N[CH]
    (CCc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(
    O)=O; O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc
    2ccccc2; c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccc
    cc2)C(=O)O)O    		 (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
    15663 BEZ
    CHEMBL541
    DB03793
    ZINC000000001011    		 22 C7 H6 O2 InChI=1S/C7H6O2/c8-7(9)6-
    4-2-1-3-5-6/h1-5H,(H,8,9);
    WPYMKLBDIGXBTP-UHFFFAOYSA-N    		 O=C(O)c1ccccc1; c1ccc(cc1)C(=O)O; OC(=O)
    c1ccccc1    		 BENZOIC ACID
    15664 BF0
    ZINC000095921301    		 1 C25 H32 N2 O6 InChI=1S/C25H32N2O6/c1-32
    -20(30)7-6-19(29)26-16-8-
    9-25(31)18-12-15-4-5-17(2
    8)22-21(15)24(25,23(16)33
    -22)10-11-27(18)13-14-2-3
    -14/h4-5,14,16,18,23,28,3
    1H,2-3,6-13H2,1H3,(H,26,2
    9)/t16-,18-,23+,24+,25-/m
    1/s1;
    PGIBGSVRAVGQMY-OIUZVZFJSA-N    		 COC(=O)CCC(=O)NC1CCC2(C3Cc4ccc(c5c4C2(C1
    O5)CCN3CC6CC6)O)O; COC(=O)CCC(=O)N[CH]1C
    C[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3C
    C6CC6)c45; O=C(OC)CCC(=O)NC1CCC5(O)C4N(C
    CC52c3c(ccc(O)c3OC12)C4)CC6CC6; COC(=O)C
    CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)
    c5O[C@@H]1[C@]2(CCN3CC6CC6)c45; COC(=O)C
    CC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[
    C@]2([C@H]1O5)CCN3CC6CC6)O)O    		 methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate;
    beta-funaltrexamine, bound form
    15665 BF2 7 Be F2 InChI=1S/Be.2FH/h;2*1H/q+
    2;;/p-2;
    JZKFIPKXQBZXMW-UHFFFAOYSA-L    		 [Be](F)F; F[Be]F BERYLLIUM DIFLUORIDE
    15666 BF3
    CHEMBL556473
    ZINC000043023318    		 1 C15 H9 Cl F N O4 InChI=1S/C15H9ClFNO4/c16-
    9-3-1-2-7(12(9)17)6-18-14
    (21)8-4-5-10(19)13(20)11(
    8)15(18)22/h1-5,19-20H,6H
    2;
    WMFOJSRDGWZYSC-UHFFFAOYSA-N    		 Oc1ccc2C(=O)N(Cc3cccc(Cl)c3F)C(=O)c2c1O;
    c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O
    )O)O; Clc1cccc(c1F)CN3C(=O)c2ccc(O)c(O)c
    2C3=O    		 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione
    15667 BF4 1 Be F4 InChI=1S/Be.4FH/h;4*1H/q+
    2;;;;/p-4;
    UUMYFIKVCFICLB-UHFFFAOYSA-J    		 F[Be--](F)(F)F; F[Be-2](F)(F)F; [Be-2](F
    )(F)(F)F    		 BERYLLIUM TETRAFLUORIDE ION
    15668 BF5 2 C17 H19 F N4 O4 InChI=1S/C17H21FN4O4/c1-9
    -8-26-16-13-10(15(23)11(1
    7(24)25)7-22(9)13)6-12(18
    )14(16)20-2-4-21(19)5-3-2
    0/h7,9,23H,2-6,8,19H2,1H3
    ,(H,24,25)/p-1/t9-/m0/s1;
    XSSSNYCVNIDBIB-VIFPVBQESA-M    		 CC1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F
    )O)C(=O)[O-]; [O-]C(=O)C=1C(O)=C4C=2N(C=
    1)C(COC=2C(N3CCN(N)CC3)=C(F)C4)C; C[C@H]
    1COC2=C3N1C=C(C([O-])=O)C(=C3CC(=C2N4CCN
    (N)CC4)F)O; C[C@H]1COC2=C3N1C=C(C(=C3CC(
    =C2N4CCN(CC4)N)F)O)C(=O)[O-]; C[CH]1COC2
    =C3N1C=C(C([O-])=O)C(=C3CC(=C2N4CCN(N)CC
    4)F)O    		 (3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE
    15669 BF6 0 C20 H17 N3 O4 InChI=1S/C20H17N3O4/c21-1
    1-17-22-16(20(27)23(17)12
    -18(24)25)10-13-6-8-15(9-
    7-13)19(26)14-4-2-1-3-5-1
    4/h1-10H,11-12,21H2,(H,24
    ,25)/b16-10-;
    HXSAGPWZHSXBJP-YBEGLDIGSA-N    		 c1ccc(cc1)C(=O)c2ccc(cc2)C=C3C(=O)N(C(=N
    3)CN)CC(=O)O; NCC1=NC(=C/c2ccc(cc2)C(=O)
    c3ccccc3)\C(=O)N1CC(O)=O; C(=C1\N=C(CN)N
    (CC(O)=O)C1=O)\c3ccc(C(c2ccccc2)=O)cc3;
    c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C
    (=N3)CN)CC(=O)O; NCC1=NC(=Cc2ccc(cc2)C(=
    O)c3ccccc3)C(=O)N1CC(O)=O    		 [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    15670 BF7
    ZINC000000032334    		 0 C9 H10 Br N O2 InChI=1S/C9H10BrNO2/c10-7
    -3-1-6(2-4-7)5-8(11)9(12)
    13/h1-4,8H,5,11H2,(H,12,1
    3)/t8-/m1/s1;
    PEMUHKUIQHFMTH-MRVPVSSYSA-N    		 NC(Cc1ccc(cc1)Br)C(=O)O; c1cc(ccc1C[C@H]
    (C(=O)O)N)Br; N[CH](Cc1ccc(Br)cc1)C(O)=O
    ; N[C@H](Cc1ccc(Br)cc1)C(O)=O; c1cc(ccc1
    CC(C(=O)O)N)Br    		 4-bromo-D-phenylalanine
    15671 BF8 3 Fe4 Ni O S4 InChI=1S/4Fe.Ni.O.4S;
    DGNZLMZPCMYVGP-UHFFFAOYSA-N    		 O1[Fe]S[Fe]S[Fe]S[Fe]S[Ni]1; O1[Fe][S]2[
    Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51    		 FE(4)-NI(1)-S(5) CLUSTER with Oxygen
    15672 BF9 0 C22 H21 N3 O5 InChI=1S/C22H21N3O5/c1-13
    (26)19(23)21-24-17(22(30)
    25(21)12-18(27)28)11-14-7
    -9-16(10-8-14)20(29)15-5-
    3-2-4-6-15/h2-11,13,19,26
    H,12,23H2,1H3,(H,27,28)/b
    17-11-/t13-,19-/m0/s1;
    QQKMSEAMLFRSCX-GBQBQLPHSA-N    		 C[C@H](O)[C@H](N)C1=NC(=C/c2ccc(cc2)C(=O
    )c3ccccc3)\C(=O)N1CC(O)=O; C[CH](O)[CH](
    N)C1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N
    1CC(O)=O; CC(C(C1=NC(=Cc2ccc(cc2)C(=O)c3
    ccccc3)C(=O)N1CC(=O)O)N)O; C[C@@H]([C@@H
    ](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=
    O)N1CC(=O)O)N)O; c1ccccc1C(c3ccc(\C=C2\C
    (N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O    		 [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    15673 BFA
    ZINC000003871308    		 0 C17 H17 Br N4 O InChI=1S/C17H17BrN4O/c1-2
    2(2)10-9-19-17(23)11-5-3-
    7-13-15(11)21-16-12(18)6-
    4-8-14(16)20-13/h3-8H,9-1
    0H2,1-2H3,(H,19,23);
    QCANCQNKYBFYAC-UHFFFAOYSA-N    		 CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br; O
    =C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br; CN
    (C)CCNC(=O)c1cccc2nc3cccc(Br)c3nc12    		 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE
    15674 BFB
    DB07449
    ZINC000016051936    		 6 C14 H20 N4 O2 InChI=1S/C14H20N4O2/c1-10
    (15)17-9-5-8-12(13(16)19)
    18-14(20)11-6-3-2-4-7-11/
    h2-4,6-7,12H,5,8-9H2,1H3,
    (H2,15,17)(H2,16,19)(H,18
    ,20)/t12-/m0/s1;
    LWFFSSMDFWZNNW-LBPRGKRZSA-N    		 CC(=N)NCCC[CH](NC(=O)c1ccccc1)C(N)=O; O=
    C(NC(C(=O)N)CCCNC(=[N@H])C)c1ccccc1; [H]
    N=C(C)NCCCC(C(=O)N)NC(=O)c1ccccc1; [H]/N
    =C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1;
    CC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O    		 N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE;
    (S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE
    15675 BFC
    ZINC000058631448    		 0 C14 H28 O2 InChI=1S/C14H28O2/c1-2-3-
    4-5-6-7-8-9-10-11-14(16)1
    2-13-15/h13-14,16H,2-12H2
    ,1H3/t14-/m1/s1;
    PCOHAOZBEIUVSX-CQSZACIVSA-N    		 CCCCCCCCCCCC(CC=O)O; CCCCCCCCCCC[C@H](CC
    =O)O; O=CCC(O)CCCCCCCCCCC; CCCCCCCCCCC[C
    H](O)CC=O; CCCCCCCCCCC[C@@H](O)CC=O    		 (R)-3-HYDROXYTETRADECANAL
    15676 BFD
    DB04156    		 0 C4 H6 Be F3 N O4 InChI=1S/C4H7NO4.Be.3FH/c
    5-2(4(8)9)1-3(6)7;;;;/h2H
    ,1,5H2,(H,6,7)(H,8,9);;3*
    1H/q;+2;;;/p-4/t2-;;;;/m0
    ..../s1;
    AHUXVQYBCVIJSZ-AIDJSRAFSA-J    		 N[CH](CC(=O)O[Be--](F)(F)F)C(O)=O; [Be-2
    ](OC(=O)CC(C(=O)O)N)(F)(F)F; [Be-2](OC(=
    O)C[C@@H](C(=O)O)N)(F)(F)F; N[C@@H](CC(=
    O)O[Be--](F)(F)F)C(O)=O; O=C(O[Be-2](F)(
    F)F)CC(N)C(=O)O    		 ASPARTATE BERYLLIUM TRIFLUORIDE
    15677 BFE 1 C9 H11 N O S InChI=1S/C9H11NOS/c11-9(1
    0-6-7-12)8-4-2-1-3-5-8/h1
    -5,12H,6-7H2,(H,10,11);
    VQLAUZQBHULEDZ-UHFFFAOYSA-N    		 SCCNC(=O)c1ccccc1; c1ccc(cc1)C(=O)NCCS;
    O=C(NCCS)c1ccccc1    		 N-(2-sulfanylethyl)benzamide
    15678 BFF
    CHEMBL253969
    DB12962
    ZINC000003834191    		 1 C20 H24 Br F2 N5 O3 S InChI=1S/C20H24BrF2N5O3S/
    c21-12-9-14(22)13(15(23)1
    0-12)11-31-18-16(17(24)29
    )19(32-27-18)26-20(30)25-
    5-1-2-6-28-7-3-4-8-28/h9-
    10H,1-8,11H2,(H2,24,29)(H
    2,25,26,30);
    HXHAJRMTJXHJJZ-UHFFFAOYSA-N    		 c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CC
    CC3)C(=O)N)F)Br; NC(=O)c1c(NC(=O)NCCCCN2
    CCCC2)snc1OCc3c(F)cc(Br)cc3F    		 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide;
    3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide
    15679 BFG
    ZINC000066166094    		 1 C17 H19 N O S InChI=1S/C17H19NOS/c19-17
    (18-11-12-20)13-16(14-7-3
    -1-4-8-14)15-9-5-2-6-10-1
    5/h1-10,16,20H,11-13H2,(H
    ,18,19);
    OBWWQAVWKRLIJP-UHFFFAOYSA-N    		 SCCNC(=O)CC(c1ccccc1)c2ccccc2; c1ccc(cc1
    )C(CC(=O)NCCS)c2ccccc2; O=C(NCCS)CC(c1cc
    ccc1)c2ccccc2    		 3,3-diphenyl-N-(2-sulfanylethyl)propanamide
    15680 BFH
    CHEMBL1231307
    ZINC000058631253    		 2 C15 H11 N O4 InChI=1S/C15H11NO4/c17-13
    (18)8-16-12(15(19)20)7-10
    -6-5-9-3-1-2-4-11(9)14(10
    )16/h1-7H,8H2,(H,17,18)(H
    ,19,20);
    AKGLRHRNGGDMDM-UHFFFAOYSA-N    		 c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O;
    O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O; OC(=
    O)Cn1c(cc2ccc3ccccc3c12)C(O)=O    		 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
    15681 BFI
    CHEMBL292963
    DB07450
    ZINC000000597385    		 1 C19 H11 Br F2 N2 O4 InChI=1S/C19H11BrF2N2O4/c
    20-10-2-1-9(14(22)5-10)8-
    24-16(26)12-4-3-11(21)6-1
    3(12)19(18(24)28)7-15(25)
    23-17(19)27/h1-6H,7-8H2,(
    H,23,25,27)/t19-/m1/s1;
    BMHZAHGTGIZZCT-LJQANCHMSA-N    		 c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2
    =O)Cc4ccc(cc4F)Br; Fc1ccc2C(=O)N(Cc3ccc(
    Br)cc3F)C(=O)[C]4(CC(=O)NC4=O)c2c1; Brc1
    ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC
    (=O)C3)C4=O; Fc1ccc2C(=O)N(Cc3ccc(Br)cc3
    F)C(=O)[C@]4(CC(=O)NC4=O)c2c1; c1cc2c(cc
    1F)C3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4
    F)Br    		 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE;
    MINALRESTAT
    15682 BFK
    CHEMBL4171692    		 2 C24 H30 N6 O3 S InChI=1S/C24H30N6O3S/c1-1
    7-15-25-24(28-23(17)26-19
    -6-4-5-18(11-19)16-31)27-
    20-12-21(14-22(13-20)34(3
    ,32)33)30-9-7-29(2)8-10-3
    0/h4-6,11-15,31H,7-10,16H
    2,1-3H3,(H2,25,26,27,28);
    WKJVLTJTBZVAKC-UHFFFAOYSA-N    		 CN1CCN(CC1)c2cc(Nc3ncc(C)c(Nc4cccc(CO)c4
    )n3)cc(c2)[S](C)(=O)=O; Cc1cnc(nc1Nc2ccc
    c(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4
    )C    		 [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
    15683 BFL
    DB02047
    ZINC000000000361    		 2 C15 H14 O2 InChI=1S/C15H14O2/c1-11(1
    5(16)17)12-7-9-14(10-8-12
    )13-5-3-2-4-6-13/h2-11H,1
    H3,(H,16,17)/t11-/m0/s1;
    JALUUBQFLPUJMY-NSHDSACASA-N    		 C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2; C[C@@H
    ](c1ccc(cc1)c2ccccc2)C(=O)O; C[CH](C(O)=
    O)c1ccc(cc1)c2ccccc2; O=C(O)C(c2ccc(c1cc
    ccc1)cc2)C; CC(c1ccc(cc1)c2ccccc2)C(=O)O    		 2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
    15684 BFM
    ZINC000004240965    		 2 C4 H2 F6 O3 InChI=1S/C4H2F6O3/c5-3(6,
    7)2(13,1(11)12)4(8,9)10/h
    13H,(H,11,12);
    CMQUGOHGJUTDGZ-UHFFFAOYSA-N    		 FC(F)(F)C(O)(C(=O)O)C(F)(F)F; C(=O)(C(C(
    F)(F)F)(C(F)(F)F)O)O; OC(=O)C(O)(C(F)(F)
    F)C(F)(F)F    		 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
    15685 BFN
    ZINC000098208697    		 1 C18 H23 F N2 O9 InChI=1S/C18H23FN2O9/c1-8
    (22)21-11-13(25)15(19)18(
    29,17(27)28)30-14(11)12(2
    4)10(23)7-20-16(26)9-5-3-
    2-4-6-9/h2-6,10-15,23-25,
    29H,7H2,1H3,(H,20,26)(H,2
    1,22)(H,27,28)/t10-,11-,1
    2-,13-,14-,15-,18+/m1/s1;
    MROQLLHLBMWCPR-LQUZZVICSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](O)(
    O[C@H]1[C@H](O)[C@H](O)CNC(=O)c2ccccc2)C
    (O)=O; CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[
    C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(
    C(=O)O)O)F)O; CC(=O)NC1C(C(C(OC1C(C(CNC(
    =O)c2ccccc2)O)O)(C(=O)O)O)F)O; CC(=O)N[C
    H]1[CH](O)[CH](F)[C](O)(O[CH]1[CH](O)[CH
    ](O)CNC(=O)c2ccccc2)C(O)=O; O=C(c1ccccc1
    )NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=
    O)C    		 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;
    5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;
    5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid
    15686 BFO
    ZINC000098208698    		 2 C35 H43 N3 O8 InChI=1S/C35H43N3O8/c1-4-
    23(2)29(20-39)31(40)33(42
    )36-18-10-15-30(34(43)45-
    21-25-11-6-5-7-12-25)38-3
    2(41)24(3)37-35(44)46-22-
    26-16-17-27-13-8-9-14-28(
    27)19-26/h5-9,11-14,16-17
    ,19-20,23-24,29-31,40H,4,
    10,15,18,21-22H2,1-3H3,(H
    ,36,42)(H,37,44)(H,38,41)
    /t23-,24-,29-,30-,31+/m0/
    s1;
    TYMGDBRPOJUXRJ-WRYWSPJMSA-N    		 CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H
    ](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OC
    c2ccc3ccccc3c2)O; CCC(C)C(C=O)C(C(=O)NCC
    CC(C(=O)OCc1ccccc1)NC(=O)C(C)NC(=O)OCc2c
    cc3ccccc3c2)O; CC[CH](C)[CH](C=O)[CH](O)
    C(=O)NCCC[CH](NC(=O)[CH](C)NC(=O)OCc1ccc
    2ccccc2c1)C(=O)OCc3ccccc3; O=CC(C(C)CC)C
    (O)C(=O)NCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC
    (=O)OCc3cc2ccccc2cc3)C; CC[C@H](C)[C@H](
    C=O)[C@@H](O)C(=O)NCCC[C@H](NC(=O)[C@H](
    C)NC(=O)OCc1ccc2ccccc2c1)C(=O)OCc3ccccc3    		 benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate
    15687 BFP 0 C6 H14 O12 P2 InChI=1/C6H14O12P2/c7-4-3
    (1-16-19(10,11)12)18-6(9,
    5(4)8)2-17-20(13,14)15/h3
    -5,7-9H,1-2H2,(H2,10,11,1
    2)(H2,13,14,15)/t3-,4-,5+
    ,6-/m1/s1/f/h10-11,13-14H;
    RNBGYGVWRKECFJ-NMAWDRIHDB    		 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[
    C@@H]1CO[P](O)(O)=O; O[CH]1[CH](O)[C](O)
    (CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O; O=P(
    O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O; C(C1
    C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O;
    C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O
    )O)O)O)O)OP(=O)(O)O    		 BETA FRUCTOSE 1,6-DIPHOSPHATE
    15688 BFQ
    CHEMBL997
    DB00710
    ZINC000001533877    		 11 C9 H23 N O7 P2 InChI=1S/C9H23NO7P2/c1-3-
    4-5-7-10(2)8-6-9(11,18(12
    ,13)14)19(15,16)17/h11H,3
    -8H2,1-2H3,(H2,12,13,14)(
    H2,15,16,17);
    MPBVHIBUJCELCL-UHFFFAOYSA-N    		 CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O; CCC
    CC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O; CCC
    CCN(C)CCC(O)([P](O)(O)=O)[P](O)(O)=O; O=
    P(O)(O)C(O)(CCN(CCCCC)C)P(=O)(O)O    		 IBANDRONATE;
    [1-HYDROXY-3-(METHYL-PENTYL-AMINO)-1-PHOSPHONO-PROPYL]-PHOSPHONIC ACID
    15689 BFR
    CHEMBL39736
    DB04830
    ZINC000004097425    		 1 C6 H15 N5 InChI=1S/C6H15N5/c1-2-3-4
    -10-6(9)11-5(7)8/h2-4H2,1
    H3,(H6,7,8,9,10,11);
    XSEUMFJMFFMCIU-UHFFFAOYSA-N    		 CCCCNC(=N)N=C(N)N; C(C)CCN\C(=N)\N=C(/N)
    N; [H]/N=C(\NCCCC)/N=C(N)N    		 N-butyl-N'-(diaminomethylidene)guanidine;
    Buformin
    15690 BFS
    CHEMBL38912
    DB02880    		 4 C15 H13 Br F N O2 InChI=1S/C15H13BrFNO2/c1-
    9(10-2-4-11(16)5-3-10)18-
    15(20)13-8-12(17)6-7-14(1
    3)19/h2-9,19H,1H3,(H,18,2
    0)/t9-/m1/s1;
    KFTNEILVDDUXGR-SECBINFHSA-N    		 Brc1ccc(cc1)C(NC(=O)c2cc(F)ccc2O)C; C[CH
    ](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2; C[C@H
    ](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F; CC(c1
    ccc(cc1)Br)NC(=O)c2cc(ccc2O)F; C[C@@H](N
    C(=O)c1cc(F)ccc1O)c2ccc(Br)cc2    		 N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE
    15691 BFT
    ZINC000038792239    		 0 C19 H25 N4 O6 P S InChI=1S/C19H25N4O6PS/c1-
    13(23(12-24)11-16-10-21-1
    4(2)22-18(16)20)17(8-9-29
    -30(26,27)28)31-19(25)15-
    6-4-3-5-7-15/h3-7,10,12-1
    3,17H,8-9,11H2,1-2H3,(H2,
    20,21,22)(H2,26,27,28)/t1
    3-,17+/m0/s1;
    ZVFWYYRSRJTRQB-SUMWQHHRSA-N    		 Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)
    SC(=O)c2ccccc2; O=P(O)(O)OCCC(SC(=O)c1cc
    ccc1)C(N(C=O)Cc2cnc(nc2N)C)C; C[CH]([CH]
    (CCO[P](O)(O)=O)SC(=O)c1ccccc1)N(Cc2cnc(
    C)nc2N)C=O; C[C@@H]([C@@H](CCO[P](O)(O)=
    O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O    		 S-BENZOYLTHIAMINE O-MONOPHOSPHATE;
    BENFOTIAMINE
    15692 BFU
    DB07451
    ZINC000003870489    		 1 C18 H17 Br F N3 O3 InChI=1S/C18H17BrFN3O3/c1
    -2-14(24)10-4-5-12(20)16(
    17(10)25)11-7-13(11)22-18
    (26)23-15-6-3-9(19)8-21-1
    5/h3-6,8,11,13,25H,2,7H2,
    1H3,(H2,21,22,23,26)/t11-
    ,13+/m1/s1;
    VRAJWAGCJIXJHQ-YPMHNXCESA-N    		 CCC(=O)c1ccc(c(c1O)C2CC2NC(=O)Nc3ccc(cn3
    )Br)F; CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2N
    C(=O)Nc3ccc(Br)cn3)c1O; CCC(=O)c1ccc(c(c
    1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F;
    CCC(=O)c1ccc(F)c([CH]2C[CH]2NC(=O)Nc3cc
    c(Br)cn3)c1O; O=C(Nc1ncc(Br)cc1)NC3CC3c2
    c(F)ccc(C(=O)CC)c2O    		 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA;
    MSC204
    15693 BFV 2 C36 H40 Cl N5 O3 S InChI=1S/C36H40ClN5O3S/c1
    -46(43,44)41-18-15-35-33(
    27-41)36(39-42(35)17-6-16
    -40-19-21-45-22-20-40)32-
    13-14-34(37)31(24-32)12-1
    1-28-9-5-10-30(23-28)26-3
    8-25-29-7-3-2-4-8-29/h2-5
    ,7-10,13-14,23-24,38H,6,1
    5-22,25-27H2,1H3;
    LIGRCXVOYJUELL-UHFFFAOYSA-N    		 C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)
    c4ccc(Cl)c(c4)C#Cc5cccc(CNCc6ccccc6)c5;
    C1COCCN1CCCn5c6c(c(c4ccc(Cl)c(C#Cc2cccc(
    c2)CNCc3ccccc3)c4)n5)CN(CC6)S(C)(=O)=O;
    CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc
    (c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1    		 N-benzyl-1-{3-[(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
    15694 BFW
    CHEMBL1699292
    ZINC000000540936    		 1 C9 H9 N3 O2 InChI=1S/C9H9N3O2/c13-9-1
    0-4-3-8(12-9)11-6-7-2-1-5
    -14-7/h1-5H,6H2,(H2,10,11
    ,12,13);
    PPZNKEWLJJEHRV-UHFFFAOYSA-N    		 c1cc(oc1)CNC2=CC=NC(=O)N2; O=C1NC(=CC=N1
    )NCc2occc2    		 4-N-Furfurylcytosine
    15695 BFX
    CHEMBL1088430
    ZINC000003933563    		 2 C31 H31 Br Cl F N2 O2 InChI=1S/C31H31BrClFN2O2/
    c32-28-14-11-24(34)18-30(
    28)38-17-3-4-21-7-9-22(10
    -8-21)26-15-16-35-19-27(2
    6)31(37)36(25-12-13-25)20
    -23-5-1-2-6-29(23)33/h1-2
    ,5-11,14,18,25,35H,3-4,12
    -13,15-17,19-20H2;
    GNQKDXQPKKYVIX-UHFFFAOYSA-N    		 c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4cc
    c(cc4)CCCOc5cc(ccc5Br)F)Cl; Fc1ccc(Br)c(
    OCCCc2ccc(cc2)C3=C(CNCC3)C(=O)N(Cc4ccccc
    4Cl)C5CC5)c1; Clc1ccccc1CN(C(=O)C4=C(c2c
    cc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5    		 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
    15696 BFZ
    ZINC000095921235    		 20 C21 H23 Br F N3 O InChI=1S/C21H23BrFN3O/c1-
    3-25(4-2)11-12-26-19-10-9
    -15(22)13-17(19)21(24-14-
    20(26)27)16-7-5-6-8-18(16
    )23/h5-10,13H,3-4,11-12,1
    4H2,1-2H3;
    FRXOAXNCRZNTCO-UHFFFAOYSA-N    		 CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)
    Br; CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(
    Br)ccc13; Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br
    )cc1)CCN(CC)CC    		 7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE;
    BROMOFLURAZEPAM
    15697 BG0
    CHEMBL2103852
    DB12925
    ZINC000038153934    		 4 C18 H17 Br N4 O3 InChI=1S/C18H17BrN4O3/c1-
    24-13-6-8(5-11(19)17(13)2
    5-2)14-9-3-4-12(21)15(22)
    16(9)26-18(23)10(14)7-20/
    h3-6,14H,21-23H2,1-2H3/t1
    4-/m1/s1;
    JXONINOYTKKXQQ-CQSZACIVSA-N    		 COc3cc(C1C(=C(N)Oc2c(N)c(N)ccc12)C#N)cc(
    c3OC)Br; COc1cc(cc(c1OC)Br)C2c3ccc(c(c3O
    C(=C2C#N)N)N)N; COc1cc(cc(Br)c1OC)[CH]2c
    3ccc(N)c(N)c3OC(=C2C#N)N; COc1cc(cc(Br)c
    1OC)[C@@H]2c3ccc(N)c(N)c3OC(=C2C#N)N; CO
    c1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C
    #N)N)N)N    		 (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile
    15698 BG1
    ZINC000058631258    		 0 C10 H21 N3 O6 S InChI=1S/C10H21N3O6S/c1-4
    -5-8(13(3)20(17,18)12-2)1
    0(16)19-6-7(11)9(14)15/h7
    -8,12H,4-6,11H2,1-3H3,(H,
    14,15)/t7-,8-/m0/s1;
    ORANEODMBGJMSF-YUMQZZPRSA-N    		 CCC[C@H](N(C)[S](=O)(=O)NC)C(=O)OC[C@H](
    N)C(O)=O; CCC[C@@H](C(=O)OC[C@@H](C(=O)O
    )N)[N@](C)S(=O)(=O)NC; CCC[CH](N(C)[S](=
    O)(=O)NC)C(=O)OC[CH](N)C(O)=O; O=S(=O)(N
    C)N(C(C(=O)OCC(C(=O)O)N)CCC)C; CCCC(C(=O
    )OCC(C(=O)O)N)N(C)S(=O)(=O)NC    		 O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-L-serine
    15699 BG2
    CHEMBL3246762
    ZINC000003881603    		 1 C10 H12 Br N5 O5 InChI=1S/C10H12BrN5O5/c11
    -9-13-3-6(14-10(12)15-7(3
    )20)16(9)8-5(19)4(18)2(1-
    17)21-8/h2,4-5,8,17-19H,1
    H2,(H3,12,14,15,20)/t2-,4
    -,5-,8-/m1/s1;
    ASUCSHXLTWZYBA-UMMCILCDSA-N    		 NC1=Nc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(B
    r)nc2C(=O)N1; C([C@@H]1[C@H]([C@H]([C@@H
    ](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O; NC
    1=Nc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
    )c(Br)nc2C(=O)N1; C(C1C(C(C(O1)n2c3c(nc2
    Br)C(=O)NC(=N3)N)O)O)O; O=C1c2nc(Br)n(c2
    N=C(N)N1)C3OC(C(O)C3O)CO    		 8-bromoguanosine
    15700 BG3
    DB02248
    ZINC000033821219    		 7 C6 H11 N O5 S InChI=1S/C6H11NO5S/c1-3-2
    -4(13(10,11)12)7-5(3)6(8)
    9/h3-5,7H,2H2,1H3,(H,8,9)
    (H,10,11,12)/t3-,4+,5-/m1
    /s1;
    PZCKFQRRNSACOM-MROZADKFSA-N    		 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O
    ; C[CH]1C[CH](N[CH]1C(O)=O)[S](O)(=O)=O;
    O=S(=O)(O)C1NC(C(=O)O)C(C)C1; CC1CC(NC1
    C(=O)O)S(=O)(=O)O; C[C@@H]1C[C@@H](N[C@H
    ]1C(O)=O)[S](O)(=O)=O    		 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID
    15701 BG4
    DB01855
    ZINC000058626720    		 1 C7 H14 N2 O3 InChI=1S/C7H14N2O3/c1-4-3
    -5(9(2)12)8-6(4)7(10)11/h
    4-6,8,12H,3H2,1-2H3,(H,10
    ,11)/t4-,5-,6-/m1/s1;
    PGYJBAGGGAUHGV-HSUXUTPPSA-N    		 CC1CC(NC1C(=O)O)N(C)O; C[C@@H]1C[C@H](N[
    C@H]1C(=O)O)[N@](C)O; O=C(O)C1NC(N(O)C)C
    C1C; C[CH]1C[CH](N[CH]1C(O)=O)N(C)O; C[C
    @@H]1C[C@H](N[C@H]1C(O)=O)N(C)O    		 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
    15702 BG5
    DB02298
    ZINC000058626722    		 1 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-3-2
    -4(8-11)7-5(3)6(9)10/h3-5
    ,7-8,11H,2H2,1H3,(H,9,10)
    /t3-,4-,5-/m1/s1;
    PEFGUPQPFCDBPY-UOWFLXDJSA-N    		 C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO; CC1CC(N
    C1C(=O)O)NO; C[C@@H]1C[C@@H](NO)N[C@H]1C
    (O)=O; C[CH]1C[CH](NO)N[CH]1C(O)=O; O=C(
    O)C1NC(NO)CC1C    		 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
    15703 BG6
    CHEMBL257975
    DB04122
    ZINC000003875374    		 93 C6 H13 O9 P InChI=1S/C6H13O9P/c7-3-2(
    1-14-16(11,12)13)15-6(10)
    5(9)4(3)8/h2-10H,1H2,(H2,
    11,12,13)/t2-,3-,4+,5-,6-
    /m1/s1;
    NBSCHQHZLSJFNQ-VFUOTHLCSA-N    		 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@@
    H](O1)O)O)O)O)OP(=O)(O)O; O[C@@H]1O[C@H]
    (CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O;
    C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O; O=P(
    O)(O)OCC1OC(O)C(O)C(O)C1O    		 6-O-phosphono-beta-D-glucopyranose;
    BETA-D-GLUCOSE-6-PHOSPHATE;
    6-O-phosphono-beta-D-glucose;
    6-O-phosphono-D-glucose;
    6-O-phosphono-glucose
    15704 BG7 2 C31 H43 F3 N6 O2 InChI=1S/C31H43F3N6O2/c1-
    21(2)16-28(41)36-19-24-18
    -23(6-7-26(24)31(32,33)34
    )30-25-20-39(29(42)17-22-
    8-11-35-12-9-22)15-10-27(
    25)40(37-30)14-5-13-38(3)
    4/h6-7,16,18,22,35H,5,8-1
    5,17,19-20H2,1-4H3,(H,36,
    41);
    YYKUWQZWTBVESL-UHFFFAOYSA-N    		 CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2
    )CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C; CN(C)
    CCCn1nc(c2ccc(c(CNC(=O)C=C(C)C)c2)C(F)(F
    )F)c3CN(CCc13)C(=O)CC4CCNCC4; C1(CCNCC1)
    CC(N2CCc3c(C2)c(nn3CCCN(C)C)c4cc(c(cc4)C
    (F)(F)F)CNC(=O)\C=C(\C)C)=O    		 N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide
    15705 BG8
    ZINC000038816654    		 2 C13 H17 N O6 InChI=1S/C13H17NO6/c15-6-
    8-10(16)11(17)9(13(19)20-
    8)14-12(18)7-4-2-1-3-5-7/
    h1-5,8-11,13,15-17,19H,6H
    2,(H,14,18)/t8-,9-,10-,11
    -,13-/m1/s1;
    VSGKVJPCJOJUBP-VDWIVTDKSA-N    		 C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O; c1c
    cc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O
    [C@H]2O)CO)O)O; OC[CH]1O[CH](O)[CH](NC(=
    O)c2ccccc2)[CH](O)[CH]1O; OC[C@H]1O[C@@H
    ](O)[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@@H]
    1O; c1ccc(cc1)C(=O)NC2C(C(C(OC2O)CO)O)O    		 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose;
    N-benzoyl-beta-D-glucosamine;
    2-(benzoylamino)-2-deoxy-beta-D-glucose;
    2-(benzoylamino)-2-deoxy-D-glucose;
    2-(benzoylamino)-2-deoxy-glucose
    15706 BG9 0 C12 H10 O4 InChI=1S/C12H10O4/c13-11(
    14)7-5-9-3-1-2-4-10(9)6-8
    -12(15)16/h1-8H,(H,13,14)
    (H,15,16)/b7-5+,8-6+;
    ZFCNOKDRWHSHNR-KQQUZDAGSA-N    		 c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O; OC(=
    O)/C=C/c1ccccc1/C=C/C(O)=O; OC(=O)C=Cc1c
    cccc1C=CC(O)=O; c1ccc(c(c1)C=CC(=O)O)C=C
    C(=O)O; c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[
    C@H]C(O)=O    		 (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
    15707 BGC
    CHEMBL1614854
    DB02379
    ZINC000003833800    		 4131 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-VFUOTHLCSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@H]1O[C@@H
    ](O)[C@H](O)[C@@H](O)[C@@H]1O; 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; OC1
    C(O)C(OC(O)C1O)CO    		 beta-D-glucopyranose;
    beta-D-glucose;
    D-glucose;
    glucose
    15708 BGD
    DB03483
    ZINC000098208699    		 4 C32 H34 F4 N4 O12 P2 InChI=1S/C32H34F4N4O12P2/
    c33-31(34,53(47,48)49)21-
    10-6-18(7-11-21)16-24(27(
    37)43)39-30(46)25(17-19-8
    -12-22(13-9-19)32(35,36)5
    4(50,51)52)40-29(45)23(14
    -15-26(41)42)38-28(44)20-
    4-2-1-3-5-20/h1-13,23-25H
    ,14-17H2,(H2,37,43)(H,38,
    44)(H,39,46)(H,40,45)(H,4
    1,42)(H2,47,48,49)(H2,50,
    51,52)/t23-,24-,25-/m0/s1;
    UJIWNECQGQOIKP-SDHOMARFSA-N    		 c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C
    @@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[
    C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N
    ; FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=
    O)C(NC(=O)c2ccccc2)CCC(=O)O)Cc3ccc(cc3)C
    (F)(F)P(=O)(O)O)P(=O)(O)O; NC(=O)[C@H](C
    c1ccc(cc1)C(F)(F)[P](O)(O)=O)NC(=O)[C@H]
    (Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)NC(=O)[C@
    H](CCC(O)=O)NC(=O)c3ccccc3; c1ccc(cc1)C(
    =O)NC(CCC(=O)O)C(=O)NC(Cc2ccc(cc2)C(F)(F
    )P(=O)(O)O)C(=O)NC(Cc3ccc(cc3)C(F)(F)P(=
    O)(O)O)C(=O)N; NC(=O)[CH](Cc1ccc(cc1)C(F
    )(F)[P](O)(O)=O)NC(=O)[CH](Cc2ccc(cc2)C(
    F)(F)[P](O)(O)=O)NC(=O)[CH](CCC(O)=O)NC(
    =O)c3ccccc3    		 N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE;
    4-BENZOYLAMINO-4-{1-{1-CARBAMOYL-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-BUTYRIC ACID
    15709 BGE 4 C19 H21 N5 O InChI=1S/C19H21N5O/c1-14-
    19(22-13-21-14)15-6-7-20-
    18(12-15)23-16-2-4-17(5-3
    -16)24-8-10-25-11-9-24/h2
    -7,12-13H,8-11H2,1H3,(H,2
    0,23)(H,21,22);
    KJQAULYFYNEAHK-UHFFFAOYSA-N    		 Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOC
    C4; Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC
    4)c2    		 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
    15710 BGF
    CHEMBL31628    		 0 C18 H18 N4 O InChI=1S/C18H16N4O/c19-17
    (20)13-5-1-11(2-6-13)15-9
    -10-16(23-15)12-3-7-14(8-
    4-12)18(21)22/h1-10H,(H3,
    19,20)(H3,21,22)/p+2;
    ZJHZBDRZEZEDGB-UHFFFAOYSA-P    		 c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)
    C(=[NH2+])N; NC(=[NH2+])c1ccc(cc1)c2oc(c
    c2)c3ccc(cc3)C(N)=[NH2+]; o1c(ccc1c2ccc(
    \C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])\N)cc3    		 2,5-BIS(4-GUANYLPHENYL)FURAN
    15711 BGG 0 C8 H8 O3 InChI=1S/C8H8O3/c9-8(10)1
    1-6-7-4-2-1-3-5-7/h1-5H,6
    H2,(H,9,10);
    NJAPCAIWQRPQPY-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)O; O=C(OCc1ccccc1)O; OC
    (=O)OCc1ccccc1    		 CARBONIC ACID MONOBENZYL ESTER
    15712 BGH 0 C13 H20 N5 O9 P InChI=1S/C13H20N5O9P/c1-5
    (19)17-4-18(10-7(17)11(21
    )16-13(14)15-10)12-9(25-2
    )8(20)6(27-12)3-26-28(22,
    23)24/h6,8-9,12,20H,3-4H2
    ,1-2H3,(H2,22,23,24)(H3,1
    4,15,16,21)/t6-,8-,9-,12-
    /m1/s1;
    RRIGHVHFMJOEOI-WOUKDFQISA-N    		 CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N
    2CN(C(C)=O)C3=C2N=C(N)NC3=O; CC(=O)N1CN(
    C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([
    C@H](O3)COP(=O)(O)O)O)OC; CC(=O)N1CN(C2=
    C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O
    )OC; CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)
    =O)O[C@H]1N2CN(C(C)=O)C3=C2N=C(N)NC3=O    		 [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    15713 BGI
    CHEMBL35306
    DB12939
    ZINC000029246385    		 8 C20 H25 N5 O10 InChI=1S/C20H25N5O10/c1-7
    (13(28)9-3-2-8(26)6-22-9)
    11(21)17(31)24-12(19(32)3
    3)16-14(29)15(30)18(35-16
    )25-5-4-10(27)23-20(25)34
    /h2-7,11-16,18,26,28-30H,
    21H2,1H3,(H,24,31)(H,32,3
    3)(H,23,27,34)/t7-,11-,12
    -,13-,14-,15+,16+,18+/m0/
    s1;
    WWJFFVUVFNBJTN-VHDFTHOZSA-N    		 C[CH]([CH](N)C(=O)N[CH]([CH]1O[CH]([CH](
    O)[CH]1O)N2C=CC(=O)NC2=O)C(O)=O)[CH](O)c
    3ccc(O)cn3; C[C@@H]([C@H](N)C(=O)N[C@@H]
    ([C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O
    )NC2=O)C(O)=O)[C@H](O)c3ccc(O)cn3; Oc1cc
    c(nc1)C(O)C(C)C(N)C(=O)NC(C1OC(N2C=CC(=O
    )NC2=O)C(O)C1O)C(=O)O; CC(C(c1ccc(cn1)O)
    O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O
    )O)C(=O)O)N; C[C@H]([C@@H](c1ccc(cn1)O)O
    )[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H](
    [C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N    		 (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name);
    Nikkomycin Z
    15714 BGJ 2 C39 H44 Cl2 N6 O2 S InChI=1S/C39H44Cl2N6O2S/c
    1-50(48,49)46-20-17-38-36
    (28-46)39(43-47(38)19-2-1
    8-44-21-23-45(24-22-44)35
    -14-15-35)33-11-16-37(41)
    32(25-33)10-7-29-3-5-30(6
    -4-29)26-42-27-31-8-12-34
    (40)13-9-31/h3-6,8-9,11-1
    3,16,25,35,42H,2,14-15,17
    -24,26-28H2,1H3;
    HQHJSIFCCGLWGY-UHFFFAOYSA-N    		 CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC
    4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)C
    l)Cl)C1; C7C(N1CCN(CC1)CCCn5c6c(c(c2cc(c
    (cc2)Cl)C#Cc4ccc(CNCc3ccc(cc3)Cl)cc4)n5)
    CN(CC6)S(C)(=O)=O)C7; C[S](=O)(=O)N1CCc2
    n(CCCN3CCN(CC3)C4CC4)nc(c5ccc(Cl)c(c5)C#
    Cc6ccc(CNCc7ccc(Cl)cc7)cc6)c2C1    		 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine
    15715 BGK 1 C13 H8 N2 O2 S InChI=1S/C13H8N2O2S/c16-8
    -9-3-5-10(6-4-9)17-13-15-
    12-11(18-13)2-1-7-14-12/h
    1-8H;
    MIXDMADWNWRCQX-UHFFFAOYSA-N    		 c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O; O=Cc1cc
    c(Oc2sc3cccnc3n2)cc1    		 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
    15716 BGL
    DB03152
    ZINC000015651153    		 0 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-13-12(17)11(
    16)10(9-15)20-14(13)18/h1
    0-18H,2-9H2,1H3/t10-,11-,
    12+,13-,14-/m1/s1;
    BVHPDIWLWHHJPD-RKQHYHRCSA-N    		 CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H
    ]1O)CO)O)O; CCCCCCCCO[CH]1[CH](O)O[CH](C
    O)[CH](O)[CH]1O; CCCCCCCCO[C@H]1[C@H](O)
    O[C@H](CO)[C@@H](O)[C@@H]1O; O(CCCCCCCC)
    C1C(O)C(O)C(OC1O)CO; CCCCCCCCOC1C(C(C(OC
    1O)CO)O)O    		 2-O-octyl-beta-D-glucopyranose;
    2-O-octyl-beta-D-glucose;
    2-O-octyl-D-glucose;
    2-O-octyl-glucose
    15717 BGM 0 C10 H13 Br N5 O7 P InChI=1S/C10H13BrN5O7P/c1
    1-9-13-6-7(14-10(12)15-8(
    6)18)16(9)5-1-3(17)4(23-5
    )2-22-24(19,20)21/h3-5,17
    H,1-2H2,(H2,19,20,21)(H3,
    12,14,15,18)/t3-,4+,5+/m0
    /s1;
    KUFMHNJQBUZBPA-VPENINKCSA-N    		 C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)N
    C(=N3)N)COP(=O)(O)O)O; NC1=Nc2n([CH]3C[C
    H](O)[CH](CO[P](O)(O)=O)O3)c(Br)nc2C(=O)
    N1; NC1=Nc2n([C@H]3C[C@H](O)[C@@H](CO[P]
    (O)(O)=O)O3)c(Br)nc2C(=O)N1; C1C(C(OC1n2
    c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O; O
    =P(O)(O)OCC1OC(CC1O)n1c(Br)nc2c1N=C(N)NC
    2=O    		 8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
    15718 BGN
    CHEMBL1231320
    ZINC000005972854    		 2 C10 H19 N O6 InChI=1S/C10H19NO6/c1-2-3
    -6(13)11-7-9(15)8(14)5(4-
    12)17-10(7)16/h5,7-10,12,
    14-16H,2-4H2,1H3,(H,11,13
    )/t5-,7-,8-,9-,10-/m1/s1;
    RPJMPMDUKSRLLF-QXOHVQIXSA-N    		 CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H
    ]1O)CO)O)O; CCCC(=O)NC1C(C(C(OC1O)CO)O)O
    ; CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[
    CH]1O; O=C(NC1C(O)C(O)C(OC1O)CO)CCC; CCC
    C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[
    C@@H]1O    		 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose;
    N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE;
    N-BUTANOYL-GLUCOSAMINE;
    N-butanoyl-beta-D-glucosamine;
    2-(butanoylamino)-2-deoxy-beta-D-glucose;
    2-(butanoylamino)-2-deoxy-D-glucose;
    2-(butanoylamino)-2-deoxy-glucose
    15719 BGO
    CHEMBL398769
    ZINC000044137940    		 2 C18 H22 N6 O12 P2 InChI=1S/C18H22N6O12P2/c1
    -20-9-5-3-2-4-8(9)17(27)3
    5-13-10(6-33-38(31,32)36-
    37(28,29)30)34-16(12(13)2
    5)24-7-21-11-14(24)22-18(
    19)23-15(11)26/h2-5,7,10,
    12-13,16,20,25H,6H2,1H3,(
    H,31,32)(H2,28,29,30)(H3,
    19,22,23,26)/t10-,12-,13-
    ,16-/m1/s1;
    DAJQUPOUYBWRQQ-XNIJJKJLSA-N    		 CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=C(N
    C4=O)N)COP(=O)(O)OP(=O)(O)O; CNc1ccccc1C
    (=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P]
    (O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)
    N; CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH
    ]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC
    (=Nc34)N; CNc1ccccc1C(=O)O[C@@H]2[C@H](O
    [C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@
    ](=O)(O)OP(=O)(O)O; O=P(O)(O)OP(=O)(O)OC
    C4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3c
    cccc3NC    		 3'-O-(N-methylanthraniloyl)guanosine-5'-diphosphate
    15720 BGP
    DB02312
    ZINC000004095545    		 10 C6 H13 O9 P InChI=1S/C6H13O9P/c7-3-2(
    1-14-16(11,12)13)15-6(10)
    5(9)4(3)8/h2-10H,1H2,(H2,
    11,12,13)/t2-,3+,4+,5-,6-
    /m1/s1;
    NBSCHQHZLSJFNQ-FPRJBGLDSA-N    		 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@
    H](O)[C@H](O)[C@H]1O; C([C@@H]1[C@@H]([C
    @@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O;
    C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O; O=P(
    O)(O)OCC1OC(O)C(O)C(O)C1O    		 6-O-phosphono-beta-D-galactopyranose;
    BETA-GALACTOSE-6-PHOSPHATE;
    6-O-phosphono-beta-D-galactose;
    6-O-phosphono-D-galactose;
    6-O-phosphono-galactose
    15721 BGQ
    ZINC000001690069    		 4 C4 H9 O3 InChI=1S/C4H10O3/c5-2-1-4
    (7)3-6/h4-7H,1-3H2/t4-/m1
    /s1;
    ARXKVVRQIIOZGF-SCSAIBSYSA-N    		 [O]C[CH](O)CCO; OCC(O)CCO; [O]C[C@H](O)C
    CO; C(CO)C(C[O])O; C(CO)[C@H](C[O])O    		 2-HYDROXY BUTANE-1,4-DIOL
    15722 BGR
    ZINC000263620836    		 0 C10 H16 B N5 O6 P InChI=1S/C10H16BN5O6P/c11
    -23(19,20)21-2-5-4(17)1-6
    (22-5)16-3-13-7-8(16)14-1
    0(12)15-9(7)18/h3-6,17H,1
    -2H2,11H3,(H,19,20)(H3,12
    ,14,15,18)/q-1/t4-,5+,6+/
    m0/s1;
    OGYNVDIIXYYPGI-KVQBGUIXSA-N    		 [BH3-][P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O
    )n2cnc3C(=O)NC(=Nc23)N; [BH3-][P](O)(=O)
    OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23
    )N; [BH3-]P(=O)(O)OCC1C(CC(O1)n2cnc3c2N=
    C(NC3=O)N)O; [BH3-]P(=O)(O)OC[C@@H]1[C@H
    ](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O    		 [[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
    15723 BGS
    ZINC000016051802    		 4 C8 H16 O7 S InChI=1S/C8H16O7S/c1-2-16
    (13,14)8-7(12)6(11)5(10)4
    (3-9)15-8/h4-12H,2-3H2,1H
    3/t4-,5-,6+,7-,8+/m1/s1;
    OFMOVPVQFRZDRQ-CBQIKETKSA-N    		 CC[S](=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[
    C@H](O)[C@H]1O; CCS(=O)(=O)C1C(C(C(C(O1)
    CO)O)O)O; CC[S](=O)(=O)[CH]1O[CH](CO)[CH
    ](O)[CH](O)[CH]1O; O=S(=O)(C1OC(C(O)C(O)
    C1O)CO)CC; CCS(=O)(=O)[C@H]1[C@@H]([C@H]
    ([C@@H]([C@H](O1)CO)O)O)O    		 (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol;
    BETA-D-GLUCOPYRANOSYLSULFONYLETHANE
    15724 BGT
    DB04636
    ZINC000053683597    		 2 C9 H18 N2 O3 InChI=1S/C9H18N2O3/c1-9(2
    ,3)14-8(13)6(10)4-5-7(11)
    12/h6H,4-5,10H2,1-3H3,(H2
    ,11,12)/t6-/m0/s1;
    VVOPSEUXHSUTJS-LURJTMIESA-N    		 CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O; CC(C)(C
    )OC(=O)[CH](N)CCC(N)=O; CC(C)(C)OC(=O)C(
    CCC(=O)N)N; CC(C)(C)OC(=O)[C@H](CCC(=O)N
    )N; O=C(OC(C)(C)C)C(N)CCC(=O)N    		 TERT-BUTYL D-ALPHA-GLUTAMINATE;
    GLUTAMINE T-BUTYL ESTER
    15725 BGU
    DB07452    		 1 C9 H8 N6 O InChI=1S/C9H8N6O/c10-8-13
    -5-1-3-4(2-6(5)14-8)12-9(
    11)15-7(3)16/h1-2H,(H3,10
    ,13,14)(H3,11,12,15,16);
    WFECBOHPSURSGU-UHFFFAOYSA-N    		 c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N; NC1=N
    c2cc3nc(N)[nH]c3cc2C(=O)N1; O=C1c3c(N=C(
    N1)N)cc2nc(N)nc2c3    		 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    2-Amino-lin-Benzogunaine
    15726 BGV
    CHEMBL486997    		 2 C17 H20 O5 InChI=1S/C17H20O5/c1-8-7-
    12-14(9(2)16(20)22-12)15(
    21-10(3)18)17(4)11(8)5-6-
    13(17)19/h5-6,8,11-12,14-
    15H,2,7H2,1,3-4H3/t8-,11+
    ,12+,14-,15+,17+/m1/s1;
    DCNRYQODUSSOKC-MMLVVLEOSA-N    		 C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1
    C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2; C[CH]1C[
    CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)
    [CH]1C=CC3=O; O=C1C=CC2C(CC3OC(=O)\C(=C)
    C3C(OC(=O)C)C12C)C; CC1CC2C(C(C3(C1C=CC3
    =O)C)OC(=O)C)C(=C)C(=O)O2; C[C@@H]1C[C@@
    H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]3
    (C)[C@H]1C=CC3=O    		 (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate;
    bigelovin
    15727 BGW
    CHEMBL481280    		 1 C20 H20 N2 O3 S InChI=1S/C20H20N2O3S/c23-
    19(24)15-9-11-22(12-10-15
    )13-14-5-7-16(8-6-14)25-2
    0-21-17-3-1-2-4-18(17)26-
    20/h1-8,15H,9-13H2,(H,23,
    24);
    BUZBVOKDNAZIIM-UHFFFAOYSA-N    		 OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc
    2; c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC
    4)C(=O)O    		 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
    15728 BGX
    DB03930
    ZINC000012504035    		 0 C6 H9 N O2 InChI=1S/C6H9NO2/c1-4-2-3
    -7-5(4)6(8)9/h2-5,7H,1H3,
    (H,8,9)/t4-,5-/m1/s1;
    ZVJPMCWYCLEWPG-RFZPGFLSSA-N    		 C[C@@H]1C=CN[C@H]1C(O)=O; C[CH]1C=CN[CH]
    1C(O)=O; O=C(O)C1NC=CC1C; C[C@@H]1C=CN[C
    @H]1C(=O)O; CC1C=CNC1C(=O)O    		 4-METHYL-PYRROLINE-5-CARBOXYLIC ACID
    15729 BGY 2 C31 H43 Cl I N5 O4 InChI=1S/C31H43ClIN5O4/c1
    -31(2,3)42-30(40)36-12-7-
    22(8-13-36)19-28(39)37-14
    -9-27-24(21-37)29(23-5-6-
    25(32)26(33)20-23)34-38(2
    7)11-4-10-35-15-17-41-18-
    16-35/h5-6,20,22H,4,7-19,
    21H2,1-3H3;
    ZBMNZIVATWUSMD-UHFFFAOYSA-N    		 C(CCn2c3c(c(c1cc(c(cc1)Cl)I)n2)CN(CC3)C(
    =O)CC4CCN(CC4)C(=O)OC(C)(C)C)N5CCOCC5; C
    C(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(n
    n3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2; CC(C)(
    C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3n(CCCN4CCO
    CC4)nc(c5ccc(Cl)c(I)c5)c3C2    		 tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
    15730 BGZ
    ZINC000042880666    		 1 C30 H48 O8 InChI=1S/C30H48O8/c1-8-24
    (33)21(5)29-25(37-29)16-1
    8(2)10-9-11-19(3)28-20(4)
    12-13-26(36-22(6)31)30(7,
    35)15-14-23(32)17-27(34)3
    8-28/h9-13,18,20-21,23-26
    ,28-29,32-33,35H,8,14-17H
    2,1-7H3/b10-9+,13-12+,19-
    11+/t18-,20+,21-,23-,24+,
    25-,26+,28-,29-,30-/m1/s1;
    SDOUORKJIJYJNW-QHOUZYGJSA-N    		 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](
    C)\C=C\C=C(/C)[C@H]2OC(=O)C[C@H](O)CC[C@
    @](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]2C; CC
    C(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CC
    C(CC(=O)O2)O)(C)O)OC(=O)C)C)O; CC[C@@H](
    [C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C
    =C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[
    C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O; CC[CH]
    (O)[CH](C)[CH]1O[CH]1C[CH](C)C=CC=C(C)[C
    H]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O
    )C=C[CH]2C
    15731 BH0
    CHEMBL362811
    DB03141
    ZINC000014880632    		 2 C32 H30 N4 O6 S InChI=1S/C32H30N4O6S/c33-
    19-26-7-4-8-29(17-26)43(4
    1,42)36-22-31(39)30(18-23
    -5-2-1-3-6-23)34(20-24-9-
    13-27(37)14-10-24)32(40)3
    5(36)21-25-11-15-28(38)16
    -12-25/h1-17,30-31,37-39H
    ,18,20-22H2/t30-,31-/m1/s
    1;
    UYUWNNRWESUYOB-FIRIVFDPSA-N    		 c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3
    ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c
    5)C#N)O; O[CH]1CN(N(Cc2ccc(O)cc2)C(=O)N(
    Cc3ccc(O)cc3)[CH]1Cc4ccccc4)[S](=O)(=O)c
    5cccc(c5)C#N; c1ccc(cc1)CC2C(CN(N(C(=O)N
    2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cc
    cc(c5)C#N)O; O=S(=O)(c1cccc(C#N)c1)N2N(C
    (=O)N(C(C(O)C2)Cc3ccccc3)Cc4ccc(O)cc4)Cc
    5ccc(O)cc5; O[C@@H]1CN(N(Cc2ccc(O)cc2)C(
    =O)N(Cc3ccc(O)cc3)[C@@H]1Cc4ccccc4)[S](=
    O)(=O)c5cccc(c5)C#N    		 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
    15732 BH1 0 C55 H78 N4 O6 InChI=1S/C55H78N4O6/c1-13
    -39-34(7)41-29-46-48(38(1
    1)60)36(9)43(57-46)27-42-
    35(8)40(52(58-42)50-51(55
    (63)64-12)54(62)49-37(10)
    44(59-53(49)50)28-45(39)5
    6-41)23-24-47(61)65-26-25
    -33(6)22-16-21-32(5)20-15
    -19-31(4)18-14-17-30(2)3/
    h25,27-32,34-35,39-40,51,
    56-59H,13-24,26H2,1-12H3/
    b33-25+,41-29-,42-27-,45-
    28-,52-50-/t31-,32-,34-,3
    5+,39-,40+,51-/m1/s1;
    DHJJQDBRYIGLJP-URFYWZFGSA-N    		 CC[CH]1[CH](C)C2=Cc3[nH]c(C=C4NC(=C5[CH]
    (C(=O)OC)C(=O)c6c(C)c([nH]c56)C=C1N2)[CH
    ](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCC
    C(C)C)[CH]4C)c(C)c3C(C)=O; O=C(OC)C3C(=O
    )c2c(c1C=C6NC(=Cc5nc(C=C4NC(=C3c2n1)C(C4
    C)CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)
    C)c(c5C(=O)C)C)C(C)C6CC)C; CCC1C(C2=Cc3c
    (c(c([nH]3)C=C4C(C(C(=C5c6c(c(c([nH]6)C=
    C1N2)C)C(=O)C5C(=O)OC)N4)CCC(=O)OCC=C(C)
    CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C; CC[
    C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4
    /[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C
    1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC
    /C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)
    C)C)C(=O)C)C; CC[C@@H]/1[C@@H](C)\C2=C\c
    3[nH]c(\C=C\4NC(=C5/[C@@H](C(=O)OC)C(=O)
    c6c(C)c([nH]c56)\C=C/1N2)/[C@@H](CCC(=O)
    OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
    )[C@@H]\4C)c(C)c3C(C)=O    		 BACTERIOPHEOPHYTIN
    15733 BH2
    CHEMBL3317781
    DB03640
    ZINC000000901877    		 4 C4 H7 N O5 InChI=1S/C4H7NO5/c5-1(3(7
    )8)2(6)4(9)10/h1-2,6H,5H2
    ,(H,7,8)(H,9,10)/t1-,2+/m
    0/s1;
    YYLQUHNPNCGKJQ-NHYDCYSISA-N    		 O=C(O)C(O)C(C(=O)O)N; [C@H]([C@H](C(=O)O
    )O)(C(=O)O)N; C(C(C(=O)O)O)(C(=O)O)N; N[
    C@@H]([C@@H](O)C(O)=O)C(O)=O; N[CH]([CH]
    (O)C(O)=O)C(O)=O    		 (3R)-3-hydroxy-L-aspartic acid
    15734 BH3
    CHEMBL2338383    		 5 C20 H40 N2 O6 P2 InChI=1S/C20H40N2O6P2/c1-
    2-3-4-5-6-7-8-9-10-11-12-
    13-14-15-21-16-17-22(19-2
    1)18-20(29(23,24)25)30(26
    ,27)28/h16-17,19-20H,2-15
    ,18H2,1H3,(H3-,23,24,25,2
    6,27,28);
    VYLDLVZXAPQHHS-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)
    P(=O)(O)[O-]; CCCCCCCCCCCCCCC[n+]1ccn(c1
    )C[C@@H](P(=O)(O)O)P(=O)(O)[O-]; CCCCCCC
    CCCCCCCC[n+]1ccn(C[C@@H]([P](O)(O)=O)[P]
    (O)([O-])=O)c1; CCCCCCCCCCCCCCC[n+]1ccn(
    C[CH]([P](O)(O)=O)[P](O)([O-])=O)c1; [O-
    ]P(=O)(O)C(P(=O)(O)O)Cn1cc[n+](c1)CCCCCC
    CCCCCCCCC    		 hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    15735 BH4 0 C9 H15 N5 O3 InChI=1/C9H15N5O3/c1-3(15
    )6(16)4-2-11-7-5(12-4)8(1
    7)14-9(10)13-7/h3-4,6,12,
    15-16H,2H2,1H3,(H4,10,11,
    13,14,17)/t3-,4+,6-/m0/s1
    /f/h11,14H,10H2;
    FNKQXYHWGSIFBK-OAVKMHILDB    		 O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C; CC(C(
    C1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@@H]([
    C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O;
    C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N
    C(=N2)N; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C
    (=O)NC(=N2)N    		 (6R,1'R,2'S)-5,6,7,8 TETRAHYDROBIOPTERIN
    15736 BH5
    CHEMBL2338367    		 6 C20 H40 N2 O7 P2 InChI=1S/C20H40N2O7P2/c1-
    2-3-4-5-6-7-8-9-10-11-12-
    13-14-15-21-16-17-22(19-2
    1)18-20(23,30(24,25)26)31
    (27,28)29/h16-17,19,23H,2
    -15,18H2,1H3,(H3-,24,25,2
    6,27,28,29);
    BWBSGQBVVSKFMY-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O
    )(O)O)P(=O)(O)[O-]; CCCCCCCCCCCCCCC[n+]1
    ccn(C[C](O)([P](O)(O)=O)[P](O)([O-])=O)c
    1; [O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1cc[n+](
    c1)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCC[n+]1
    ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]; CCC
    CCCCCCCCCCCC[n+]1ccn(C[C@](O)([P](O)(O)=
    O)[P](O)([O-])=O)c1    		 hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    15737 BH6
    CHEMBL2035289    		 4 C8 H9 B Cl N O3 InChI=1S/C8H9BClNO3/c10-7
    -4-2-1-3-6(7)8(12)11-5-9(
    13)14/h1-4,13-14H,5H2,(H,
    11,12);
    LXIUYRUEMMFAQV-UHFFFAOYSA-N    		 B(CNC(=O)c1ccccc1Cl)(O)O; OB(O)CNC(=O)c1
    ccccc1Cl; O=C(c1ccccc1Cl)NCB(O)O    		 {[(2-chlorobenzoyl)amino]methyl}boronic acid
    15738 BH7
    DB03139
    ZINC000005185702    		 4 C16 H27 N3 O4 S InChI=1S/C16H27N3O4S/c20-
    13(17-9-5-1-2-8-14(21)22)
    7-4-3-6-12-15-11(10-24-12
    )18-16(23)19-15/h11-12,15
    H,1-10H2,(H,17,20)(H,21,2
    2)(H2,18,19,23)/t11-,12-,
    15-/m0/s1;
    CMUGHZFPFWNUQT-HUBLWGQQSA-N    		 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCC
    C(=O)O)NC(=O)N2; O=C1NC2C(SCC2N1)CCCCC(=
    O)NCCCCCC(=O)O; C1C2C(C(S1)CCCCC(=O)NCCC
    CCC(=O)O)NC(=O)N2; OC(=O)CCCCCNC(=O)CCCC
    [CH]1SC[CH]2NC(=O)N[CH]12; OC(=O)CCCCCNC
    (=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12    		 E-AMINO BIOTINYL CAPROIC ACID;
    6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
    15739 BH8
    CHEMBL2338378    		 6 C15 H30 N2 O6 P2 InChI=1S/C15H30N2O6P2/c1-
    2-3-4-5-6-7-8-9-10-16-11-
    12-17(14-16)13-15(24(18,1
    9)20)25(21,22)23/h11-12,1
    4-15H,2-10,13H2,1H3,(H3-,
    18,19,20,21,22,23);
    GYTSEUQBLYSXFG-UHFFFAOYSA-N    		 CCCCCCCCCC[n+]1ccn(C[CH]([P](O)(O)=O)[P]
    (O)([O-])=O)c1; CCCCCCCCCC[n+]1ccn(c1)CC
    (P(=O)(O)O)P(=O)(O)[O-]; CCCCCCCCCC[n+]1
    ccn(C[C@H]([P](O)(O)=O)[P](O)([O-])=O)c1
    ; [O-]P(=O)(O)C(P(=O)(O)O)Cn1cc[n+](c1)C
    CCCCCCCCC    		 hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    15740 BH9
    CHEMBL3330167
    ZINC000095920972    		 2 C21 H21 N5 O InChI=1S/C21H21N5O/c1-21(
    2,3)17-7-4-14(5-8-17)20(2
    7)25-18-13-26-12-15(6-9-1
    9(26)24-18)16-10-22-23-11
    -16/h4-13H,1-3H3,(H,22,23
    )(H,25,27);
    XBKNNPZVSZKDRB-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c
    4c[nH]nc4; O=C(c1ccc(cc1)C(C)(C)C)Nc4nc3
    n(cc(c2cnnc2)cc3)c4    		 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
    15741 BHA
    CHEMBL1169
    DB00233
    ZINC000000000922    		 5 C7 H7 N O3 InChI=1S/C7H7NO3/c8-4-1-2
    -5(7(10)11)6(9)3-4/h1-3,9
    H,8H2,(H,10,11);
    WUBBRNOQWQTFEX-UHFFFAOYSA-N    		 c1cc(c(cc1N)O)C(=O)O; O=C(O)c1ccc(cc1O)N
    ; Nc1ccc(C(O)=O)c(O)c1    		 2-HYDROXY-4-AMINOBENZOIC ACID
    15742 BHB
    DB04004
    ZINC000005848665    		 1 C13 H19 N5 O S InChI=1S/C13H19N5OS/c1-18
    (2)3-4-20-7-8-5-9(14)6-10
    -11(8)16-13(15)17-12(10)1
    9/h5-6H,3-4,7,14H2,1-2H3,
    (H3,15,16,17,19);
    FDIXHXDLCOSDFY-UHFFFAOYSA-N    		 CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N; CN(C)C
    CSCc1cc(N)cc2C(=O)NC(=Nc12)N; O=C1c2c(N=
    C(N1)N)c(cc(N)c2)CSCCN(C)C    		 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE
    15743 BHC
    CHEMBL1231329
    DB01681
    ZINC000003871689    		 6 C12 H6 O12 InChI=1S/C12H6O12/c13-7(1
    4)1-2(8(15)16)4(10(19)20)
    6(12(23)24)5(11(21)22)3(1
    )9(17)18/h(H,13,14)(H,15,
    16)(H,17,18)(H,19,20)(H,2
    1,22)(H,23,24);
    YDSWCNNOKPMOTP-UHFFFAOYSA-N    		 c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
    )C(=O)O)C(=O)O; OC(=O)c1c(C(O)=O)c(C(O)=
    O)c(C(O)=O)c(C(O)=O)c1C(O)=O; O=C(O)c1c(
    c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O
    )O    		 BENZENE HEXACARBOXYLIC ACID
    15744 BHD
    CHEMBL1231330
    ZINC000000901878    		 0 C4 H7 N O5 InChI=1S/C4H7NO5/c5-1(3(7
    )8)2(6)4(9)10/h1-2,6H,5H2
    ,(H,7,8)(H,9,10)/t1-,2-/m
    0/s1;
    YYLQUHNPNCGKJQ-LWMBPPNESA-N    		 O=C(O)C(O)C(C(=O)O)N; [C@H]([C@@H](C(=O)
    O)O)(C(=O)O)N; C(C(C(=O)O)O)(C(=O)O)N; N
    [C@@H]([C@H](O)C(O)=O)C(O)=O; N[CH]([CH]
    (O)C(O)=O)C(O)=O    		 (3S)-3-hydroxy-L-aspartic acid;
    BETA-HYDROXYASPARTIC ACID
    15745 BHE
    ZINC000058661122    		 18 C20 H38 O10 InChI=1S/C20H38O10/c1-3-4
    -5-6-7-8-9-27-20-18(16(25
    )14(23)12(10-21)29-20)30-
    19-17(26)15(24)13(22)11(2
    )28-19/h11-26H,3-10H2,1-2
    H3/t11-,12+,13+,14-,15+,1
    6-,17-,18+,19-,20+/m0/s1;
    GTTDTLMUWQMDNA-ARNYJBIMSA-N    		 CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH
    ]1O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O; O(
    CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)
    C1O)CO; CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H
    ]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C
    @@H]([C@@H](O2)C)O)O)O; CCCCCCCCOC1C(C(C
    (C(O1)CO)O)O)OC2C(C(C(C(O2)C)O)O)O; CCCC
    CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C
    @H]1O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)
    [C@@H]2O    		 octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside;
    H-antigen acceptor;
    alpha-L-Fucp-(1,2)-Beta-D-Galp-O(CH2)7CH3
    15746 BHF
    CHEMBL283196
    DB07453
    ZINC000000038933    		 16 C19 H12 O2 InChI=1S/C19H12O2/c20-17-
    12-18(14-7-2-1-3-8-14)21-
    19-15-9-5-4-6-13(15)10-11
    -16(17)19/h1-12H;
    VFMMPHCGEFXGIP-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2; O=C
    1C=C(Oc2c1ccc3ccccc23)c4ccccc4; O=C1c4c(
    OC(=C1)c2ccccc2)c3ccccc3cc4    		 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE;
    7,8-BENZOFLAVONE;
    ALPHA-NAPHTHOFLAVONE
    15747 BHG
    DB04141
    ZINC000005973056    		 0 C12 H24 O6 InChI=1S/C12H24O6/c1-2-3-
    4-5-6-17-12-11(16)10(15)9
    (14)8(7-13)18-12/h8-16H,2
    -7H2,1H3/t8-,9+,10+,11-,1
    2-/m1/s1;
    JVAZJLFFSJARQM-YBXAARCKSA-N    		 CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1
    )CO)O)O)O; CCCCCCOC1C(C(C(C(O1)CO)O)O)O;
    CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O
    )[C@H]1O; CCCCCCO[CH]1O[CH](CO)[CH](O)[C
    H](O)[CH]1O; O(CCCCCC)C1OC(C(O)C(O)C1O)C
    O    		 hexyl beta-D-galactopyranoside;
    2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
    hexyl beta-D-galactoside;
    hexyl D-galactoside;
    hexyl galactoside
    15748 BHH
    CHEMBL308745
    DB02727
    ZINC000013536006    		 2 C5 H13 N3 O InChI=1S/C5H13N3O/c1-2-3-
    4-7-5(6)8-9/h9H,2-4H2,1H3
    ,(H3,6,7,8);
    ULDDTFAPYWLDGF-UHFFFAOYSA-N    		 CCCCNC(=N)NO; [N@H]=C(NCCCC)NO N-BUTYL-N'-HYDROXYGUANIDINE
    15749 BHI
    CHEMBL361403
    DB04170    		 4 C5 H13 Br O8 P2 InChI=1S/C5H13BrO8P2/c1-5
    (7,4-6)2-3-13-16(11,12)14
    -15(8,9)10/h7H,2-4H2,1H3,
    (H,11,12)(H2,8,9,10)/t5-/
    m1/s1;
    YKAYCWPQDPILSA-RXMQYKEDSA-N    		 C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O;
    C[C@](O)(CBr)CCO[P@@](O)(=O)O[P](O)(O)=O
    ; O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O; CC(CC
    OP(=O)(O)OP(=O)(O)O)(CBr)O; C[C](O)(CBr)
    CCO[P](O)(=O)O[P](O)(O)=O    		 4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE
    15750 BHJ 1 C37 H45 Cl N6 O4 S InChI=1S/C37H45ClN6O4S/c1
    -49(46,47)43-17-12-35-32(
    26-43)36(40-44(35)16-5-13
    -41-18-20-48-21-19-41)30-
    10-11-33(38)29(23-30)9-7-
    27-6-8-28-24-34(39-25-31(
    28)22-27)37(45)42-14-3-2-
    4-15-42/h6,8,10-11,22-23,
    34,39H,2-5,12-21,24-26H2,
    1H3/t34-/m0/s1;
    BIYANWMTXPESQI-UMSFTDKQSA-N    		 C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)
    c4ccc(Cl)c(c4)C#Cc5ccc6C[C@H](NCc6c5)C(=
    O)N7CCCCC7; CS(=O)(=O)N1CCc2c(c(nn2CCCN3
    CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CNC(C6)C
    (=O)N7CCCCC7)Cl)C1; CS(=O)(=O)N1CCc2c(c(
    nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)
    CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1; C[S](=O
    )(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)c4ccc(C
    l)c(c4)C#Cc5ccc6C[CH](NCc6c5)C(=O)N7CCCC
    C7; C7N(CCCn5c6c(c(c1ccc(c(c1)C#Cc2ccc3c
    (c2)CNC(C3)C(N4CCCCC4)=O)Cl)n5)CN(CC6)S(
    C)(=O)=O)CCOC7    		 {(3S)-7-[(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]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
    15751 BHK
    ZINC000058631260    		 3 C12 H14 O4 InChI=1S/C12H14O4/c13-8-1
    1(14)7-10(12(15)16)6-9-4-
    2-1-3-5-9/h1-5,10,13H,6-8
    H2,(H,15,16)/t10-/m1/s1;
    HHXVRTWUQBYAFG-SNVBAGLBSA-N    		 c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O; c1ccc(
    cc1)CC(CC(=O)CO)C(=O)O; OCC(=O)C[CH](Cc1
    ccccc1)C(O)=O; OCC(=O)C[C@@H](Cc1ccccc1)
    C(O)=O; O=C(CO)CC(C(=O)O)Cc1ccccc1    		 (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid
    15752 BHL
    CHEMBL1231334
    DB04637
    ZINC000002242705    		 9 C6 H13 Br O InChI=1S/C6H13BrO/c7-5-3-
    1-2-4-6-8/h8H,1-6H2;
    FCMCSZXRVWDVAW-UHFFFAOYSA-N    		 C(CCCBr)CCO; OCCCCCCBr; BrCCCCCCO 6-BROMOHEXAN-1-OL;
    6-BROMOHEXANOL
    15753 BHM
    CHEMBL296323
    DB07454
    ZINC000013581050    		 1 C11 H10 Br F3 N2 O4 InChI=1S/C11H10BrF3N2O4/c
    1-10(19,5-12)9(18)16-6-2-
    3-8(17(20)21)7(4-6)11(13,
    14)15/h2-4,19H,5H2,1H3,(H
    ,16,18)/t10-/m0/s1;
    QDSWNDMHSBZXKX-JTQLQIEISA-N    		 CC(CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=
    O)[O-])O; C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(
    F)(F)F)[N+](=O)[O-])O; C[C](O)(CBr)C(=O)
    Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O; C[C@]
    (O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([
    O-])=O; O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F
    )(F)F)C(O)(C)CBr    		 (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
    15754 BHN
    CHEMBL282254
    ZINC000019368612    		 4 C20 H24 N2 O6 InChI=1S/C20H24N2O6/c23-1
    7-7-3-1-5-15(17)11-21(13-
    19(25)26)9-10-22(14-20(27
    )28)12-16-6-2-4-8-18(16)2
    4/h1-8,23-24H,9-14H2,(H,2
    5,26)(H,27,28);
    GRUVVLWKPGIYEG-UHFFFAOYSA-N    		 c1ccc(c(c1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(
    =O)O)O; c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc
    c2O)CC(=O)O)CC(=O)O)O; OC(=O)CN(CCN(CC(O
    )=O)Cc1ccccc1O)Cc2ccccc2O; O=C(O)CN(Cc1c
    cccc1O)CCN(Cc2ccccc2O)CC(=O)O    		 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid;
    N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
    15755 BHO
    CHEMBL16300
    DB01924
    ZINC000004701351    		 27 C7 H7 N O2 InChI=1S/C7H7NO2/c9-7(8-1
    0)6-4-2-1-3-5-6/h1-5,10H,
    (H,8,9);
    VDEUYMSGMPQMIK-UHFFFAOYSA-N    		 O=C(NO)c1ccccc1; ONC(=O)c1ccccc1; c1ccc(
    cc1)C(=O)NO    		 BENZHYDROXAMIC ACID
    15756 BHP
    CHEMBL1084102
    DB04287
    ZINC000003966076    		 6 C31 H37 N O4 InChI=1S/C31H37NO4/c33-30
    (16-10-2-1-5-11-25-12-6-3
    -7-13-25)32-28(19-22-31(3
    4)35)23-26-17-20-29(21-18
    -26)36-24-27-14-8-4-9-15-
    27/h3-4,6-9,12-15,17-18,2
    0-21,28H,1-2,5,10-11,16,1
    9,22-24H2,(H,32,33)(H,34,
    35)/t28-/m0/s1;
    KWLUIYFCMHKLKY-NDEPHWFRSA-N    		 c1ccc(cc1)CCCCCCC(=O)NC(CCC(=O)O)Cc2ccc(
    cc2)OCc3ccccc3; c1ccc(cc1)CCCCCCC(=O)N[C
    @@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3; O=C
    (O)CCC(NC(=O)CCCCCCc1ccccc1)Cc3ccc(OCc2c
    cccc2)cc3; OC(=O)CC[C@@H](Cc1ccc(OCc2ccc
    cc2)cc1)NC(=O)CCCCCCc3ccccc3; OC(=O)CC[C
    H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc3c
    cccc3    		 (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
    15757 BHQ
    CHEMBL480626
    DB04638
    ZINC000000056404    		 2 C14 H22 O2 InChI=1S/C14H22O2/c1-13(2
    ,3)9-7-12(16)10(8-11(9)15
    )14(4,5)6/h7-8,15-16H,1-6
    H3;
    JZODKRWQWUWGCD-UHFFFAOYSA-N    		 CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O; Oc1cc(c(
    O)cc1C(C)(C)C)C(C)(C)C; CC(C)(C)c1cc(O)c
    (cc1O)C(C)(C)C    		 2,5-DITERT-BUTYLBENZENE-1,4-DIOL;
    2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE
    15758 BHR
    ZINC000064746579    		 4 C20 H24 N2 O7 InChI=1S/C20H24N2O7/c23-1
    6-6-2-1-4-14(16)10-21(12-
    18(25)26)8-9-22(13-19(27)
    28)11-15-5-3-7-17(24)20(1
    5)29/h1-7,23-24,29H,8-13H
    2,(H,25,26)(H,27,28);
    PIRBWSIWJQHRSO-UHFFFAOYSA-N    		 c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)C
    C(=O)O)CC(=O)O)O; O=C(O)CN(Cc1cccc(O)c1O
    )CCN(Cc2ccccc2O)CC(=O)O; OC(=O)CN(CCN(CC
    (O)=O)Cc1cccc(O)c1O)Cc2ccccc2O; c1ccc(c(
    c1)CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)
    O    		 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
    15759 BHS
    DB03918
    ZINC000013815072    		 4 C9 H15 N5 O3 InChI=1S/C9H15N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h3-4,6,12
    ,15-16H,2H2,1H3,(H4,10,11
    ,13,14,17)/t3-,4-,6-/m1/s
    1;
    FNKQXYHWGSIFBK-ZMIZWQJLSA-N    		 C[C@@H](O)[C@@H](O)[C@H]1CNC2=C(N1)C(=O)
    NC(=N2)N; C[C@H]([C@H]([C@H]1CNC2=C(N1)C
    (=O)NC(=N2)N)O)O; O=C1C=2NC(CNC=2N=C(N1)
    N)C(O)C(O)C; CC(C(C1CNC2=C(N1)C(=O)NC(=N
    2)N)O)O; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C
    (=O)NC(=N2)N    		 6S-5,6,7,8-TETRAHYDROBIOPTERIN
    15760 BHT 1 C37 H30 N3 O9 S3 InChI=1S/C37H29N3O9S3/c41
    -50(42,43)34-21-19-31(20-
    22-34)38-28-13-7-25(8-14-
    28)37(26-9-15-29(16-10-26
    )39-32-3-1-5-35(23-32)51(
    44,45)46)27-11-17-30(18-1
    2-27)40-33-4-2-6-36(24-33
    )52(47,48)49/h1-24,39-40H
    ,(H,41,42,43)(H,44,45,46)
    (H,47,48,49)/p+1;
    QEJOESQJOWWNSS-UHFFFAOYSA-O    		 c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=
    CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc
    (cc5)Nc6cccc(c6)S(=O)(=O)O; O=S(=O)(O)c1
    cccc(c1)Nc2ccc(cc2)\C(=C4/C=C/C(=[NH+]\c
    3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c
    5)S(=O)(=O)O)cc6; O[S](=O)(=O)c1ccc(cc1)
    [NH+]=C2C=CC(C=C2)=C(c3ccc(Nc4cccc(c4)[S
    ](O)(=O)=O)cc3)c5ccc(Nc6cccc(c6)[S](O)(=
    O)=O)cc5    		 N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM;
    BLUE HT
    15761 BHU
    CHEMBL4450628    		 5 C5 H12 B N O3 S InChI=1S/C5H12BNO3S/c1-4(
    2-11)5(8)7-3-6(9)10/h4,9-
    11H,2-3H2,1H3,(H,7,8)/t4-
    /m1/s1;
    HXSZVYICUWXMQS-SCSAIBSYSA-N    		 B(CNC(=O)C(C)CS)(O)O; C[C@H](CS)C(=O)NCB
    (O)O; B(CNC(=O)[C@H](C)CS)(O)O; C[CH](CS
    )C(=O)NCB(O)O    		 [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid;
    (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid
    15762 BHV 2 C38 H53 F3 N6 O5 InChI=1S/C38H53F3N6O5/c1-
    26(2)21-33(48)42-24-29-23
    -28(7-8-31(29)38(39,40)41
    )35-30-25-46(16-11-32(30)
    47(43-35)13-6-12-44-17-19
    -51-20-18-44)34(49)22-27-
    9-14-45(15-10-27)36(50)52
    -37(3,4)5/h7-8,21,23,27H,
    6,9-20,22,24-25H2,1-5H3,(
    H,42,48);
    VGHVCBNZEGIXOJ-UHFFFAOYSA-N    		 C(NC(\C=C(/C)C)=O)c1cc(ccc1C(F)(F)F)c3c4
    c(n(CCCN2CCOCC2)n3)CCN(C4)C(=O)CC5CCN(CC
    5)C(OC(C)(C)C)=O; CC(C)=CC(=O)NCc1cc(ccc
    1C(F)(F)F)c2nn(CCCN3CCOCC3)c4CCN(Cc24)C(
    =O)CC5CCN(CC5)C(=O)OC(C)(C)C; CC(=CC(=O)
    NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOC
    C4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C
    )C    		 tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
    15763 BHW
    CHEMBL4555272    		 3 C55 H59 N5 O20 InChI=1S/C55H59N5O20/c1-2
    1-12-16-29(57-21)48(67)77
    -42-38(63)52(79-54(6,7)44
    (42)71-10)73-31-18-14-26-
    36(61)34(50(69)75-40(26)2
    4(31)4)59-46(65)28-20-56-
    33(23(28)3)47(66)60-35-37
    (62)27-15-19-32(25(5)41(2
    7)76-51(35)70)74-53-39(64
    )43(45(72-11)55(8,9)80-53
    )78-49(68)30-17-13-22(2)5
    8-30/h12-20,38-39,42-45,5
    2-53,56-58,61-64H,1-11H3,
    (H,59,65)(H,60,66)/t38-,3
    9-,42+,43+,44-,45-,52-,53
    -/m1/s1;
    WTIJXIZOODAMJT-DHFGXMAYSA-N    		 CO[C@@H]1[C@@H](OC(=O)c2[nH]c(C)cc2)[C@@
    H](O)[C@H](Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(
    =O)NC6=C(O)c7ccc(O[C@@H]8OC(C)(C)[C@H](O
    C)[C@@H](OC(=O)c9[nH]c(C)cc9)[C@H]8O)c(C
    )c7OC6=O)c5C)C(=O)Oc4c3C)O)OC1(C)C; CO[C
    H]1[CH](OC(=O)c2[nH]c(C)cc2)[CH](O)[CH](
    Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(=O)NC6=C(O)
    c7ccc(O[CH]8OC(C)(C)[CH](OC)[CH](OC(=O)c
    9[nH]c(C)cc9)[CH]8O)c(C)c7OC6=O)c5C)C(=O
    )Oc4c3C)O)OC1(C)C; Cc1ccc([nH]1)C(=O)O[C
    @H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3cc
    c4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)
    C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@
    H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc
    ([nH]9)C)O)O)O; Cc1ccc([nH]1)C(=O)OC2C(C
    (OC(C2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)
    NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7
    OC6=O)C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)c9cc
    c([nH]9)C)O)O)O    		 Coumermycin A1
    15764 BHX 1 C9 H15 O8 P InChI=1S/C9H15O8P/c10-7(1
    1)2-1-6(9(14)15)5-18(16,1
    7)4-3-8(12)13/h6H,1-5H2,(
    H,10,11)(H,12,13)(H,14,15
    )(H,16,17)/t6-/m1/s1;
    GZNKYXXCKRYSFH-ZCFIWIBFSA-N    		 C(CC(=O)O)C(CP(=O)(CCC(=O)O)O)C(=O)O; C(
    CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)
    O; O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O; O
    C(=O)CC[CH](C[P](O)(=O)CCC(O)=O)C(O)=O;
    OC(=O)CC[C@H](C[P@](O)(=O)CCC(O)=O)C(O)=
    O    		 (2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
    15765 BHY
    DB07455
    ZINC000024962151    		 2 C20 H28 N2 O4 S2 InChI=1S/C20H28N2O4S2/c1-
    15(13-21-27(3,23)24)17-5-
    9-19(10-6-17)20-11-7-18(8
    -12-20)16(2)14-22-28(4,25
    )26/h5-12,15-16,21-22H,13
    -14H2,1-4H3/t15-,16-/m0/s
    1;
    ZESUARCHWPARIF-HOTGVXAUSA-N    		 C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2
    )[C@@H](C)CNS(=O)(=O)C; C[C@@H](CN[S](C)
    (=O)=O)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CN[S
    ](C)(=O)=O; CC(CNS(=O)(=O)C)c1ccc(cc1)c2
    ccc(cc2)C(C)CNS(=O)(=O)C; O=S(=O)(NCC(c2
    ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C;
    C[CH](CN[S](C)(=O)=O)c1ccc(cc1)c2ccc(cc2
    )[CH](C)CN[S](C)(=O)=O    		 N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide;
    (R,R)-N,N-(2,2'-(biphenyl-4-4'-diyl)bis(propane-2,1-diyl))dimethanesulfonamide
    15766 BHZ
    ZINC000064746580    		 6 C20 H24 N2 O5 InChI=1S/C20H24N2O5/c23-1
    8-9-5-4-8-17(18)13-22(15-
    20(26)27)11-10-21(14-19(2
    4)25)12-16-6-2-1-3-7-16/h
    1-9,23H,10-15H2,(H,24,25)
    (H,26,27);
    JSDNXVMPVNBNSK-UHFFFAOYSA-N    		 OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc
    2; O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(
    =O)O; c1ccc(cc1)CN(CCN(Cc2ccccc2O)CC(=O)
    O)CC(=O)O; c1ccc(cc1)C[N@@](CC[N@](Cc2cc
    ccc2O)CC(=O)O)CC(=O)O    		 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
    15767 BI1
    CHEMBL7463
    DB03777
    ZINC000000585151    		 5 C25 H24 N4 O2 InChI=1S/C25H24N4O2/c1-28
    (2)12-7-13-29-15-19(17-9-
    4-6-11-21(17)29)23-22(24(
    30)27-25(23)31)18-14-26-2
    0-10-5-3-8-16(18)20/h3-6,
    8-11,14-15,26H,7,12-13H2,
    1-2H3,(H,27,30,31);
    QMGUOJYZJKLOLH-UHFFFAOYSA-N    		 CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c
    4c[nH]c5c4cccc5; CN(C)CCCn1cc(c2ccccc12)
    C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45; O=C5C(
    c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C
    )C(=O)N5    		 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE;
    RBT205 INHIBITOR
    15768 BI2
    DB07456
    ZINC000002560260    		 1 C27 H26 N4 O2 InChI=1S/C27H26N4O2/c1-30
    -13-6-7-17(30)12-14-31-16
    -21(19-9-3-5-11-23(19)31)
    25-24(26(32)29-27(25)33)2
    0-15-28-22-10-4-2-8-18(20
    )22/h2-5,8-11,15-17,28H,6
    -7,12-14H2,1H3,(H,29,32,3
    3)/t17-/m1/s1;
    LBFDERUQORUFIN-QGZVFWFLSA-N    		 C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C
    (=O)NC4=O)c5c[nH]c6c5cccc6; CN1CCC[C@@H]
    1CCn2cc(c3ccccc23)C4=C(C(=O)NC4=O)c5c[nH
    ]c6ccccc56; O=C3C(c2c1ccccc1nc2)=C(C(=O)
    N3)c4c6ccccc6n(c4)CCC5N(C)CCC5; CN1CCCC1
    CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]
    c6c5cccc6; CN1CCC[CH]1CCn2cc(c3ccccc23)C
    4=C(C(=O)NC4=O)c5c[nH]c6ccccc56    		 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
    15769 BI3
    CHEMBL270875
    DB07457
    ZINC000002560261    		 1 C23 H20 N4 O2 InChI=1S/C23H20N4O2/c24-1
    0-5-11-27-13-17(15-7-2-4-
    9-19(15)27)21-20(22(28)26
    -23(21)29)16-12-25-18-8-3
    -1-6-14(16)18/h1-4,6-9,12
    -13,25H,5,10-11,24H2,(H,2
    6,28,29);
    APYXQTXFRIDSGE-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn
    (c5c4cccc5)CCCN; NCCCn1cc(c2ccccc12)C3=C
    (C(=O)NC3=O)c4c[nH]c5ccccc45; O=C5C(c2c1
    ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5    		 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE;
    INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
    15770 BI4
    DB07458
    ZINC000003871740    		 7 C27 H26 N4 O2 InChI=1S/C27H26N4O2/c1-30
    -13-6-7-17(30)12-14-31-16
    -21(19-9-3-5-11-23(19)31)
    25-24(26(32)29-27(25)33)2
    0-15-28-22-10-4-2-8-18(20
    )22/h2-5,8-11,15-17,28H,6
    -7,12-14H2,1H3,(H,29,32,3
    3)/t17-/m0/s1;
    LBFDERUQORUFIN-KRWDZBQOSA-N    		 CN1CCC[C@H]1CCn2cc(c3ccccc23)C4=C(C(=O)N
    C4=O)c5c[nH]c6ccccc56; C[N@]1CCC[C@H]1CC
    n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6
    c5cccc6; O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)
    c4c6ccccc6n(c4)CCC5N(C)CCC5; CN1CCCC1CCn
    2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c
    5cccc6; CN1CCC[CH]1CCn2cc(c3ccccc23)C4=C
    (C(=O)NC4=O)c5c[nH]c6ccccc56    		 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE
    15771 BI5
    CHEMBL199237
    DB07459
    ZINC000013284470    		 1 C19 H16 N2 O2 InChI=1S/C19H16N2O2/c22-1
    9(21-14-16-6-4-5-13-20-16
    )15-9-11-18(12-10-15)23-1
    7-7-2-1-3-8-17/h1-13H,14H
    2,(H,21,22);
    HVLSCZSVTCNAQX-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3; O=
    C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3; O=C(NC
    c1ccccn1)c2ccc(Oc3ccccc3)cc2    		 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
    15772 BI6
    ZINC000038559573    		 1 C29 H34 N4 O3 InChI=1S/C29H34N4O3/c1-3-
    23(30-2)27(34)31-24-17-11
    -10-16-22-18-19-25(33(22)
    29(24)36)28(35)32-26(20-1
    2-6-4-7-13-20)21-14-8-5-9
    -15-21/h4-9,11-15,17,22-2
    6H,2-3,10,16,18-19H2,1H3,
    (H,31,34)(H,32,35)/t22-,2
    3-,24-,25-/m0/s1;
    DOJSRSYBMNHTER-QORCZRPOSA-N    		 CC[CH](N=C)C(=O)N[CH]1C=CCC[CH]2CC[CH](N
    2C1=O)C(=O)NC(c3ccccc3)c4ccccc4; CCC(C(=
    O)NC1C=CCCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)
    c4ccccc4)N=C; CC[C@H](N=C)C(=O)N[C@H]1\C
    =C/CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3cccc
    c3)c4ccccc4; CC[C@@H](C(=O)N[C@H]1C=CCC[
    C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4c
    cccc4)N=C; O=C(NC1C=CCCC4N(C1=O)C(C(=O)N
    C(c2ccccc2)c3ccccc3)CC4)C(/N=C)CC    		 (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE
    15773 BI7
    CHEMBL1626802    		 1 C22 H28 Cl N4 O3 S InChI=1S/C22H28ClN4O3S/c1
    -27(2,3)11-5-10-26-21(28)
    18-14-6-4-9-25(14)20(19(1
    8)22(26)29)13-12-15(30-24
    -13)16-7-8-17(23)31-16/h7
    -8,12,14,18-20H,4-6,9-11H
    2,1-3H3/q+1/t14-,18-,19-,
    20-/m0/s1;
    IMQAZTOPHVBANA-DSYPUSFNSA-N    		 C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c
    4cc(on4)c5ccc(s5)Cl; C[N+](C)(C)CCCN1C(=
    O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4c
    c(on4)c5ccc(s5)Cl; C[N+](C)(C)CCCN1C(=O)
    [CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4cc(on4)c
    5sc(Cl)cc5; C[N+](C)(C)CCCN1C(=O)[C@H]2[
    C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5s
    c(Cl)cc5    		 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
    15774 BI8
    CHEMBL269264
    DB01946
    ZINC000002011710    		 3 C24 H22 N4 O2 InChI=1S/C24H22N4O2/c1-27
    -13-17(15-7-2-4-9-19(15)2
    7)21-22(24(30)26-23(21)29
    )18-14-28(12-6-11-25)20-1
    0-5-3-8-16(18)20/h2-5,7-1
    0,13-14H,6,11-12,25H2,1H3
    ,(H,26,29,30);
    UQHKJRCFSLMWIA-UHFFFAOYSA-N    		 Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c
    4cccc5)CCCN; Cn1cc(c2ccccc12)C3=C(C(=O)N
    C3=O)c4cn(CCCN)c5ccccc45; O=C5C(c2c1cccc
    c1n(c2)C)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5    		 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
    15775 BI9
    CHEMBL458997
    DB07460
    ZINC000020148986    		 4 C23 H25 Cl N6 O3 InChI=1S/C23H25ClN6O3/c1-
    25-22(31)16-5-3-4-6-18(16
    )27-21-17(24)14-26-23(29-
    21)28-19-8-7-15(13-20(19)
    32-2)30-9-11-33-12-10-30/
    h3-8,13-14H,9-12H2,1-2H3,
    (H,25,31)(H2,26,27,28,29);
    UYJNQQDJUOUFQJ-UHFFFAOYSA-N    		 O=C(NC)c1ccccc1Nc2nc(ncc2Cl)Nc4c(OC)cc(N
    3CCOCC3)cc4; CNC(=O)c1ccccc1Nc2nc(Nc3ccc
    (cc3OC)N4CCOCC4)ncc2Cl; CNC(=O)c1ccccc1N
    c2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl    		 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE
    15776 BIA
    CHEMBL387347
    DB03336
    ZINC000003975390    		 1 C20 H20 F3 N3 O5 InChI=1S/C20H20F3N3O5/c21
    -20(22,23)14-2-1-3-15(12-
    14)25-8-6-24(7-9-25)5-4-1
    7(27)13-10-16(26(30)31)19
    (29)18(28)11-13/h1-3,10-1
    2,28-29H,4-9H2;
    KVIVJQWOYSWCCZ-UHFFFAOYSA-N    		 Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)CCN2CCN(C
    C2)c3cccc(c3)C(F)(F)F; c1cc(cc(c1)N2CCN(
    CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])
    C(F)(F)F; [O-][N+](=O)c3c(O)c(O)cc(C(=O)
    CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3    		 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE;
    BIA 3-335
    15777 BIB 8 C4 H8 N O2 InChI=1S/C4H9NO2/c1-3(2-5
    )4(6)7/h3H,2,5H2,1H3,(H,6
    ,7)/p-1/t3-/m0/s1;
    QCHPKSFMDHPSNR-VKHMYHEASA-M    		 CC(CN)C(=O)[O-]; C[C@@H](CN)C([O-])=O; C
    [C@@H](CN)C(=O)[O-]; [O-]C(=O)C(C)CN; C[
    CH](CN)C([O-])=O    		 BETA-AMINO ISOBUTYRATE
    15778 BIC
    DB07461
    ZINC000031260442    		 0 C15 H19 N3 O2 InChI=1S/C15H19N3O2/c16-1
    5(10-12-4-2-1-3-5-12)7-9-
    17-8-6-13(11-19)18(17)14(
    15)20/h1-5,11,13H,6-10,16
    H2/t13-,15+/m0/s1;
    JVDDTUQPPBUQDD-DZGCQCFKSA-N    		 N[C@]1(CCN2CC[C@@H](C=O)N2C1=O)Cc3ccccc3
    ; c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C=O)N; O=
    CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3; c1ccc(
    cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N
    ; N[C]1(CCN2CC[CH](C=O)N2C1=O)Cc3ccccc3    		 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
    15779 BID
    ZINC000024798806    		 1 C40 H68 N2 O8 InChI=1S/C40H68N2O8/c1-8-
    11-32(44)23-34-17-15-27(3
    )37(48-34)24-38(46)42-25-
    35(45)30(6)39(47)41-21-10
    -13-36-28(4)18-20-40(50-3
    6)19-9-12-33(49-40)16-14-
    26(2)22-29(5)31(7)43/h8,1
    1,22,26-28,30-31,33-37,43
    ,45H,9-10,12-21,23-25H2,1
    -7H3,(H,41,47)(H,42,46)/b
    11-8+,29-22+/t26-,27-,28-
    ,30-,31-,33-,34+,35-,36+,
    37-,40-/m0/s1;
    HXZRMADPDYFMEB-CPBPHPDTSA-N    		 O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C
    (=O)NCCCC3OC2(OC(CCC2)CCC(\C=C(/C)C(O)C)
    C)CCC3C)C; CC=CC(=O)C[CH]1CC[CH](C)[CH](
    CC(=O)NC[CH](O)[CH](C)C(=O)NCCC[CH]2O[C]
    3(CCC[CH](CC[CH](C)C=C(C)[CH](C)O)O3)CC[
    CH]2C)O1; C\C=C\C(=O)C[C@H]1CC[C@@H]([C@
    @H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[
    C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C
    @H](C)\C=C(/C)\[C@H](C)O)C)O)C; C/C=C/C(
    =O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](
    O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@
    H](CC[C@H](C)\C=C(/C)[C@H](C)O)O3)CC[C@@
    H]2C)O1; CC=CC(=O)CC1CCC(C(O1)CC(=O)NCC(
    C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)C
    =C(C)C(C)O)C)O)C    		 BISTRAMIDE A;
    (2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]U NDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BU TANAMIDE
    15780 BIE
    DB07462
    ZINC000013677656    		 2 C13 H9 N O5 InChI=1S/C13H9NO5/c15-10-
    7-6-9(11(13(10)17)14(18)1
    9)12(16)8-4-2-1-3-5-8/h1-
    7,15,17H;
    ICLKAUQIPVFHOI-UHFFFAOYSA-N    		 Oc1ccc(C(=O)c2ccccc2)c(c1O)[N+]([O-])=O;
    c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O
    )O; [O-][N+](=O)c2c(C(=O)c1ccccc1)ccc(O)
    c2O    		 (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE;
    BIA 3-335
    15781 BIF
    DB04639
    ZINC000002244337    		 0 C15 H15 N O2 InChI=1S/C15H15NO2/c16-14
    (15(17)18)10-11-6-8-13(9-
    7-11)12-4-2-1-3-5-12/h1-9
    ,14H,10,16H2,(H,17,18)/t1
    4-/m0/s1;
    JCZLABDVDPYLRZ-AWEZNQCLSA-N    		 c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)N; N[CH](C
    c1ccc(cc1)c2ccccc2)C(O)=O; O=C(O)C(N)Cc1
    ccc(cc1)c2ccccc2; c1ccc(cc1)c2ccc(cc2)C[
    C@@H](C(=O)O)N; N[C@@H](Cc1ccc(cc1)c2ccc
    cc2)C(O)=O    		 (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID;
    BIPHENYLALANINE
    15782 BIG
    CHEMBL1231347
    DB07463
    ZINC000013648011    		 15 C16 H25 N5 O S InChI=1S/C16H25N5OS/c1-2-
    3-4-23-9-12-7-21(8-13(12)
    22)6-11-5-18-15-14(11)19-
    10-20-16(15)17/h5,10,12-1
    3,18,22H,2-4,6-9H2,1H3,(H
    2,17,19,20)/t12-,13+/m1/s
    1;
    LTSUEVPGSXUJHT-OLZOCXBDSA-N    		 CCCCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N; CCCC
    SC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc
    3N; CCCCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)
    ncnc23; CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH
    ]c3c(N)ncnc23; S(CCCC)CC3CN(Cc2cnc1c2ncn
    c1N)CC3O    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol;
    butylthio-DADMe-Immucillin A
    15783 BIH
    CHEMBL1206869
    DB04640
    ZINC000001669723    		 5 C10 H8 O6 S2 InChI=1S/C10H8O6S2/c11-17
    (12,13)9-3-1-7-5-10(18(14
    ,15)16)4-2-8(7)6-9/h1-6H,
    (H,11,12,13)(H,14,15,16);
    FITZJYAVATZPMJ-UHFFFAOYSA-N    		 O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O
    ; c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
    ; O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O    		 NAPHTHALENE-2,6-DISULFONIC ACID;
    2,6-NAPHTHALENEDISULFONIC ACID;
    2,6-NAPHTHALENEDISULPHONIC ACID
    15784 BII 1 C25 H32 Cl N7 O3 S InChI=1S/C25H32ClN7O3S/c1
    -16(2)32-37(34,35)23-8-6-
    5-7-21(23)29-24-19(26)14-
    28-25(31-24)30-20-10-9-18
    (13-22(20)36-4)33-12-11-1
    7(15-33)27-3/h5-10,13-14,
    16-18,27,32H,11-12,15H2,1
    -4H3,(H,28,29,31)/b30-20+
    /t17-,18?/m1/s1;
    GLVPQZCTTHRANR-ZYGFWXSESA-N    		 CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C
    =CC(C=C3OC)N4CC[C@H](C4)NC)Cl; O=S(=O)(N
    C(C)C)c1ccccc1Nc2nc(ncc2Cl)/N=C3/C(OC)=C
    C(C=C3)N4CCC(NC)C4; CN[CH]1CCN(C1)[CH]2C
    =CC(=Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)NC(
    C)C)n3)C(=C2)OC; CN[C@@H]1CCN(C1)[C@@H]2
    C=CC(=Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)NC
    (C)C)n3)C(=C2)OC; CC(C)NS(=O)(=O)c1ccccc
    1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CCC(C4)NC
    )Cl    		 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
    15785 BIJ
    ZINC000058626793    		 1 C25 H28 Cl N7 O2 InChI=1S/C25H28ClN7O2/c1-
    31-9-11-33(12-10-31)17-7-
    8-19(21(13-17)35-3)29-25-
    27-14-18(26)23(30-25)28-2
    0-6-4-5-16-15-32(2)24(34)
    22(16)20/h4-8,13-14,18H,9
    -12,15H2,1-3H3,(H,28,29,3
    0)/t18-/m0/s1;
    YKRBTLCKGPASPO-SFHVURJKSA-N    		 COc1cc(ccc1N=C2N=C[C@H](Cl)C(=N2)Nc3cccc
    4CN(C)C(=O)c34)N5CCN(C)CC5; O=C2N(C)Cc1c
    ccc(c12)NC3=NC(\N=CC3Cl)=N/c4ccc(cc4OC)N
    5CCN(C)CC5; CN1CCN(CC1)c2ccc(c(c2)OC)/N=
    C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl;
    COc1cc(ccc1N=C2N=C[CH](Cl)C(=N2)Nc3cccc
    4CN(C)C(=O)c34)N5CCN(C)CC5; CN1CCN(CC1)c
    2ccc(c(c2)OC)N=C3N=CC(C(=N3)Nc4cccc5c4C(
    =O)N(C5)C)Cl    		 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
    15786 BIK
    CHEMBL1231350
    DB04641
    ZINC000000156898    		 2 C11 H8 O4 InChI=1S/C11H8O4/c12-8-2-
    1-6-5-10(13)9(11(14)15)4-
    7(6)3-8/h1-5,12-13H,(H,14
    ,15);
    QMWOUSYSNFCKAZ-UHFFFAOYSA-N    		 OC(=O)c1cc2cc(O)ccc2cc1O; O=C(O)c2cc1c(c
    cc(O)c1)cc2O; c1cc(cc2c1cc(c(c2)C(=O)O)O
    )O    		 3,7-DIHYDROXY-2-NAPHTHOIC ACID;
    3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID
    15787 BIL
    ZINC000000170368    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-3-5(
    2)6(8)4-7(9)10/h5-6H,3-4,
    8H2,1-2H3,(H,9,10)/t5-,6+
    /m0/s1;
    JHEDYGILOIBOTL-NTSWFWBYSA-N    		 CC[CH](C)[CH](N)CC(O)=O; CCC(C)C(CC(=O)O
    )N; CC[C@H](C)[C@@H](CC(=O)O)N; O=C(O)CC
    (N)C(CC)C; CC[C@H](C)[C@H](N)CC(O)=O    		 (3R,4S)-3-amino-4-methylhexanoic acid;
    (R,S)-beta-3-homoisoleucine
    15788 BIM
    CHEMBL1231352
    ZINC000033295968    		 2 C34 H33 N5 O2 InChI=1S/C34H33N5O2/c1-37
    (2)32-22-10-7-8-18-38-20-
    26(24-12-3-5-14-28(24)38)
    30-31(34(41)36-33(30)40)2
    7-21-39(29-15-6-4-13-25(2
    7)29)19-9-11-23(35-32)17-
    16-22/h3-6,12-17,20-21H,7
    -11,18-19H2,1-2H3,(H,36,4
    0,41);
    WHEOASILVTUPNR-UHFFFAOYSA-N    		 CN(C)c1nc2CCCn3cc(c4ccccc34)C5=C(C(=O)NC
    5=O)c6cn(CCCCc1cc2)c7ccccc67; CN(C)c1c2c
    cc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cc
    cc7)CCCC2)C(=O)NC5=O; O=C6C=5c2c1ccccc1n
    (c2)CCCCc3c(nc(cc3)CCCn7c4ccccc4c(C=5C(=
    O)N6)c7)N(C)C    		 BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE
    15789 BIN
    DB04055
    ZINC000003870716    		 3 C20 H21 Cl N O6 InChI=1S/C20H20ClNO6/c1-5
    -22-11(4)14(20(27)28-10(2
    )3)15(12-8-6-7-9-13(12)21
    )16(18(23)24)17(22)19(25)
    26/h6-10H,5H2,1-4H3,(H-,2
    3,24,25,26)/p+1;
    HMSIYRVIPQHZBI-UHFFFAOYSA-O    		 CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2C
    l)C(=O)OC(C)C)C; CC[n+]1c(C)c(C(=O)OC(C)
    C)c(c2ccccc2Cl)c(C(O)=O)c1C(O)=O; O=C(OC
    (C)C)c1c(c(c([n+](c1C)CC)C(=O)O)C(=O)O)c
    2ccccc2Cl    		 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM
    15790 BIO
    DB03886
    ZINC000017129255    		 24 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h2-3,6,15
    -16H,1H3,(H3,10,11,13,14,
    17)/t3-,6-/m1/s1;
    LHQIJBMDNUYRAM-AWFVSMACSA-N    		 C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)
    O; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C; C[CH
    ](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1; C[C@@
    H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1; CC
    (C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O    		 BIOPTERIN
    15791 BIP
    DB03441    		 4 C10 H11 I O2 InChI=1S/C10H11IO2/c11-7-
    9(10(12)13)6-8-4-2-1-3-5-
    8/h1-5,9H,6-7H2,(H,12,13)
    /t9-/m0/s1;
    CRYXPGIJLMKFPX-VIFPVBQESA-N    		 OC(=O)[C@H](CI)Cc1ccccc1; O=C(O)C(CI)Cc1
    ccccc1; c1ccc(cc1)CC(CI)C(=O)O; c1ccc(cc
    1)C[C@@H](CI)C(=O)O; OC(=O)[CH](CI)Cc1cc
    ccc1    		 2-BENZYL-3-IODOPROPANOIC ACID
    15792 BIQ
    ZINC000058626853    		 4 C33 H36 N6 O9 InChI=1S/C33H36N6O9/c1-2-
    14-35-30(41)24-15-20-8-11
    -23(12-9-20)48-28-17-22(1
    0-13-27(28)39(45)46)16-25
    (31(42)37-26(18-29(34)40)
    32(43)36-24)38-33(44)47-1
    9-21-6-4-3-5-7-21/h3-13,1
    7,24-26H,2,14-16,18-19H2,
    1H3,(H2,34,40)(H,35,41)(H
    ,36,43)(H,37,42)(H,38,44)
    /t24-,25-,26-/m0/s1;
    CJHDBEMQNLQIBH-GSDHBNRESA-N    		 CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+
    ](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC
    (=O)N)NC(=O)OCc4ccccc4; [O-][N+](=O)c4cc
    c3cc4Oc1ccc(cc1)CC(C(=O)NCCC)NC(=O)C(NC(
    =O)C(NC(=O)OCc2ccccc2)C3)CC(=O)N; CCCNC(
    =O)[CH]1Cc2ccc(Oc3cc(C[CH](NC(=O)OCc4ccc
    cc4)C(=O)N[CH](CC(N)=O)C(=O)N1)ccc3[N+](
    [O-])=O)cc2; CCCNC(=O)[C@@H]1Cc2ccc(Oc3c
    c(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](C
    C(N)=O)C(=O)N1)ccc3[N+]([O-])=O)cc2; CCC
    NC(=O)C1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-
    ])CC(C(=O)NC(C(=O)N1)CC(=O)N)NC(=O)OCc4c
    cccc4    		 BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE
    15793 BIR
    DB02062
    ZINC000012080871    		 2 C21 H27 N2 O5 P InChI=1S/C21H27N2O5P/c1-1
    4(21(25)26)23-20(24)19(13
    -29(27,28)15(2)22)12-16-8
    -10-18(11-9-16)17-6-4-3-5
    -7-17/h3-11,14-15,19H,12-
    13,22H2,1-2H3,(H,23,24)(H
    ,25,26)(H,27,28)/t14-,15+
    ,19+/m0/s1;
    CWJPVKSBGVPXRD-QMTMVMCOSA-N    		 O=C(O)C(NC(=O)C(CP(=O)(O)C(N)C)Cc1ccc(cc
    1)c2ccccc2)C; CC(C(=O)O)NC(=O)C(Cc1ccc(c
    c1)c2ccccc2)CP(=O)(C(C)N)O; C[C@@H](C(=O
    )O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@
    ](=O)([C@H](C)N)O; C[C@H](N)[P@](O)(=O)C
    [C@@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](
    C)C(O)=O; C[CH](N)[P](O)(=O)C[CH](Cc1ccc
    (cc1)c2ccccc2)C(=O)N[CH](C)C(O)=O    		 N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
    15794 BIS
    CHEMBL1160562
    ZINC000024411934    		 1 C15 H22 F4 N5 O12 P3 InChI=1S/C15H22F4N5O12P3/
    c16-14(17,37(27,28)29)2-1
    -3-15(18,19)38(30,31)36-3
    9(32,33)34-4-7-9(25)10(26
    )13(35-7)24-6-23-8-11(20)
    21-5-22-12(8)24/h5-7,9-10
    ,13,25-26H,1-4H2,(H,30,31
    )(H,32,33)(H2,20,21,22)(H
    2,27,28,29)/t7-,9-,10-,13
    -/m1/s1;
    VWQBAZQMKBHYJA-QYVSTXNMSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F
    )(F)P(=O)(O)O)(F)F)O)O)O)N; Nc1ncnc2n(cn
    c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(
    F)(F)CCCC(F)(F)[P](O)(O)=O)[CH](O)[CH]3O
    ; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O
    )(=O)O[P@@](O)(=O)C(F)(F)CCCC(F)(F)[P](O
    )(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(c
    n2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(CCCC(F)
    (F)P(=O)(O)O)(F)F)O)O)O)N; FC(F)(P(=O)(O
    )O)CCCC(F)(F)P(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c(ncnc12)N)C(O)C3O    		 1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER
    15795 BIT
    CHEMBL1231358
    DB01944
    ZINC000002526884    		 5 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-12
    -7-8-15-14(11-12)16(21)18
    (22)9-10-20(17(18)19-15)1
    3-5-3-2-4-6-13/h2-8,11,22
    H,9-10H2,1H3/t18-/m1/s1;
    LZAXPYOBKSJSEX-GOSISDBHSA-N    		 Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4cccc
    c4; O=C2c4c(N=C3N(c1ccccc1)CCC23O)ccc(c4
    )C; Cc1ccc2N=C3N(CC[C]3(O)C(=O)c2c1)c4cc
    ccc4; Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4cc
    ccc4)O; Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N
    2)c4ccccc4)O    		 (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE;
    (S)-BLEBBISTATIN;
    (3AS)-3A-HYDROXY-6-METHYL-1-PHENYL-3,3A-DIHYDRO-1H-PYRROLO[2,3-B]QUINOLIN-4(2H)-ONE
    15796 BIU
    ZINC000058627067    		 0 C6 H12 Br N O2 InChI=1S/C6H12BrNO2/c1-4(
    2-3-7)5(8)6(9)10/h4-5H,2-
    3,8H2,1H3,(H,9,10)/t4-,5-
    /m0/s1;
    NKCINOJOELVWGT-WHFBIAKZSA-N    		 CC(CCBr)C(C(=O)O)N; C[C@@H](CCBr)[C@@H](
    C(=O)O)N; BrCCC(C(N)C(=O)O)C; C[C@@H](CC
    Br)[C@H](N)C(O)=O; C[CH](CCBr)[CH](N)C(O
    )=O    		 5-bromo-L-isoleucine
    15797 BIV
    CHEMBL94219
    ZINC000013558331    		 6 C32 H54 O4 InChI=1S/C32H54O4/c1-22-2
    5(20-26(33)21-29(22)34)14
    -13-24-12-9-19-32(6)27(15
    -16-28(24)32)23(10-7-17-3
    0(2,3)35)11-8-18-31(4,5)3
    6/h13-14,23,26-29,33-36H,
    1,7-12,15-21H2,2-6H3/b24-
    13+,25-14-/t26-,27-,28+,2
    9+,32-/m1/s1;
    WTQXZYVWLNPNEX-LKUPKUSPSA-N    		 OC3C(=C)/C(=C\C=C1/CCCC2(C)C(C(CCCC(O)(C
    )C)CCCC(O)(C)C)CCC12)CC(O)C3; CC12CCCC(=
    CC=C3CC(CC(C3=C)O)O)C1CCC2C(CCCC(C)(C)O)
    CCCC(C)(C)O; CC(C)(O)CCCC(CCCC(C)(C)O)[C
    @H]1CC[C@H]2C(/CCC[C@]12C)=C/C=C3/C[C@@H
    ](O)C[C@H](O)C3=C; C[C@]12CCC/C(=C\C=C/3
    \C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H
    ]2C(CCCC(C)(C)O)CCCC(C)(C)O; CC(C)(O)CCC
    C(CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C
    C=C3C[CH](O)C[CH](O)C3=C    		 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E);
    GEMINI
    15798 BIW
    CHEMBL604956
    ZINC000038851281    		 1 C27 H30 N2 O6 InChI=1S/C27H30N2O6/c30-2
    3(28-11-8-18(9-12-28)26(3
    1)32)15-29-22-14-19(27(33
    )34)6-7-21(22)24(17-4-2-1
    -3-5-17)25(29)20-10-13-35
    -16-20/h6-7,10,13-14,16-1
    8H,1-5,8-9,11-12,15H2,(H,
    31,32)(H,33,34);
    AVHJWNFYNLONQR-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)
    CC(=O)N5CCC(CC5)C(=O)O; O=C(O)C5CCN(C(=O
    )Cn2c1c(ccc(C(=O)O)c1)c(c2c3ccoc3)C4CCCC
    C4)CC5; OC(=O)C1CCN(CC1)C(=O)Cn2c3cc(ccc
    3c(C4CCCCC4)c2c5cocc5)C(O)=O    		 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid
    15799 BIX
    ZINC000040976445    		 2 C10 H18 N O8 P InChI=1S/C10H18NO8P/c11-7
    (10(16)17)3-4-20(18,19)5-
    6(9(14)15)1-2-8(12)13/h6-
    7H,1-5,11H2,(H,12,13)(H,1
    4,15)(H,16,17)(H,18,19)/t
    6-,7+/m1/s1;
    YLHAQDFYEKJARV-RQJHMYQMSA-N    		 C(CC(=O)O)C(CP(=O)(CCC(C(=O)O)N)O)C(=O)O
    ; N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=
    O)C(O)=O; C(CC(=O)O)[C@H](C[P@](=O)(CC[C
    @@H](C(=O)O)N)O)C(=O)O; O=C(O)CCC(C(=O)O
    )CP(=O)(O)CCC(C(=O)O)N; N[C@@H](CC[P@@](
    O)(=O)C[C@@H](CCC(O)=O)C(O)=O)C(O)=O    		 (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
    15800 BIY 6 C8 H11 N O4 S InChI=1S/C8H11NO4S/c1-8(2
    )5(7(12)13)9-3-4(14-8)6(1
    0)11/h3,5,9H,1-2H3,(H,10,
    11)(H,12,13)/t5-/m0/s1;
    VSZLPINYHQLOJH-YFKPBYRVSA-N    		 CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C; CC1(
    C)SC(=CN[C@H]1C(O)=O)C(O)=O; O=C(O)C=1SC
    (C)(C)C(C(=O)O)NC=1; CC1(C)SC(=CN[CH]1C(
    O)=O)C(O)=O; CC1(C(NC=C(S1)C(=O)O)C(=O)O
    )C    		 (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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