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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
    15401 BVS
    ZINC000100006608    		 1 C11 H10 O4 InChI=1S/C11H10O4/c1-7-2-
    4-8(5-3-7)9(12)6-10(13)11
    (14)15/h2-6,13H,1H3,(H,14
    ,15)/b10-6-;
    HTHFQYJFCHROLP-POHAHGRESA-N    		 Cc1ccc(cc1)C(=O)/C=C(O)/C(O)=O; Cc1ccc(c
    c1)C(=O)C=C(O)C(O)=O; Cc1ccc(cc1)C(=O)C=
    C(C(=O)O)O; Cc1ccc(cc1)C(=O)/C=C(/C(=O)O
    )\O; C(/C(c1ccc(C)cc1)=O)=C(\C(O)=O)O    		 (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid
    15402 BVT 8 C47 H63 N11 O19 P2 S InChI=1S/C47H63N11O19P2S/
    c1-25(2)55-43(65)31(18-27
    -19-49-29-13-7-6-12-28(27
    )29)56-42(64)30(57-46(66)
    71-20-26-10-4-3-5-11-26)1
    4-8-9-16-53-47(54-17-15-3
    4(59)60)76-39-37(62)33(75
    -45(39)80-47)22-73-79(69,
    70)77-78(67,68)72-21-32-3
    6(61)38(63)44(74-32)58-24
    -52-35-40(48)50-23-51-41(
    35)58/h3-7,10-13,19,23-25
    ,30-33,36-39,44-45,49,53-
    54,61-63H,8-9,14-18,20-22
    H2,1-2H3,(H,55,65)(H,56,6
    4)(H,57,66)(H,59,60)(H,67
    ,68)(H,69,70)(H2,48,50,51
    )/t30-,31-,32+,33+,36+,37
    +,38+,39+,44+,45+,47-/m0/
    s1;
    YXTVLLWQDXVSFE-WDVUSYHVSA-N    		 CC(C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C
    CCCNC3(OC4C(C(OC4S3)COP(=O)(O)OP(=O)(O)O
    CC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O
    )O)NC(=O)OCc8ccccc8; CC(C)NC(=O)[C@H](Cc
    1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN[C@]3(N
    CCC(O)=O)O[C@@H]4[C@H](O)[C@@H](CO[P](O)
    (=O)O[P](O)(=O)OC[C@H]5O[C@H]([C@H](O)[C
    @@H]5O)n6cnc7c(N)ncnc67)O[C@@H]4S3)NC(=O
    )OCc8ccccc8; CC(C)NC(=O)[C@H](Cc1c[nH]c2
    c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4
    [C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)
    (O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7
    c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc
    8; CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(
    =O)[CH](CCCCN[C]3(NCCC(O)=O)O[CH]4[CH](O
    )[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH
    ]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S
    3)NC(=O)OCc8ccccc8    		 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid
    15403 BVU
    CHEMBL4646288    		 1 C22 H10 F3 N3 O2 InChI=1S/C22H10F3N3O2/c23
    -15-8-4-3-7-14(15)18-16(2
    4)9-11(10-17(18)25)28-20-
    19(26-27-28)21(29)12-5-1-
    2-6-13(12)22(20)30/h1-10H;
    VMUZFSZBQDZDTG-UHFFFAOYSA-N    		 Fc1ccccc1c2c(F)cc(cc2F)n3nnc4C(=O)c5cccc
    c5C(=O)c34; c1ccc(c(c1)c2c(cc(cc2F)n3c4c
    (nn3)C(=O)c5ccccc5C4=O)F)F    		 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione
    15404 BVV 0 C21 H21 N7 O InChI=1S/C21H19N7O/c22-18
    (23)13-3-1-12(2-4-13)11-2
    9-17-10-9-16-21(27-17)28-
    20(26-16)15-7-5-14(6-8-15
    )19(24)25/h1-10H,11H2,(H3
    ,22,23)(H3,24,25)(H,26,27
    ,28)/p+2;
    UDAHUTJVVAQSQI-UHFFFAOYSA-P    		 NC(=[NH2+])c1ccc(COc2ccc3nc([nH]c3n2)c4c
    cc(cc4)C(N)=[NH2+])cc1; c1cc(ccc1COc2ccc
    3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=
    [NH2+])N; c1cc(ccc1/C(N)=[NH2+])COc2nc3c
    (cc2)nc(n3)c4ccc(cc4)\C(=[NH2+])N    		 amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
    15405 BVX 2 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8,13-15,35H,2,7,9-12H
    2,1,3-6H3,(H,36,43)(H,37,
    42)(H,38,39)(H,40,41)/b26
    -13?,27-14-,28-15-;
    OFLCQIQWTPZPJY-IRCLPSFSSA-N    		 CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(
    C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)
    CCC(=O)O)C)C; CCC1=C(C)C(=O)NC1=Cc2[nH]c
    (C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O
    )=O)C)c(CCC(O)=O)c2C; CCC\1=C(C(=O)N/C1=
    C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(
    =C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C
    ; CCC1=C(C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C
    (\C=C4/NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)
    c(CCC(O)=O)c2C    		 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid;
    Biliverdine IX alpha, bound form
    15406 BVY
    CHEMBL3968104    		 1 C19 H24 F N5 O S InChI=1S/C19H24FN5OS/c20-
    14-6-4-5-13(9-14)10-25-11
    -15(23-24-25)7-2-1-3-8-17
    -18-16(12-27-17)21-19(26)
    22-18/h4-6,9,11,16-18H,1-
    3,7-8,10,12H2,(H2,21,22,2
    6)/t16-,17-,18-/m0/s1;
    RJRZSEAZACQQJO-BZSNNMDCSA-N    		 c1cc(cc(c1)F)Cn2cc(nn2)CCCCCC3C4C(CS3)NC
    (=O)N4; Fc1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@
    H]4NC(=O)N[C@H]34)nn2)c1; c1cc(cc(c1)F)C
    n2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(
    =O)N4; Fc1cccc(Cn2cc(CCCCC[CH]3SC[CH]4NC
    (=O)N[CH]34)nn2)c1; C2(NC1CSC(C1N2)CCCCC
    c4cn(Cc3cccc(c3)F)nn4)=O    		 (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
    15407 BVZ 1 C21 H25 B N3 O5 S InChI=1S/C21H25BN3O5S/c26
    -22(27,28)20-7-2-1-5-18(2
    0)16-24-11-4-12-25(14-13-
    24)31(29,30)21-8-3-6-17-1
    5-23-10-9-19(17)21/h1-3,5
    -10,15,26-28H,4,11-14,16H
    2/q-1;
    YYSAOPAIYRFUMM-UHFFFAOYSA-N    		 [B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc
    4c3ccnc4)(O)(O)O; O[B-](O)(O)c1ccccc1CN2
    CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34    		 [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
    15408 BW0 2 C20 H27 N3 O13 P2 InChI=1S/C20H27N3O13P2/c1
    -22-15(21-34-9-12-3-5-13(
    6-4-12)19(26)33-2)7-8-23(
    20(22)27)18-17(25)16(24)1
    4(36-18)10-35-38(31,32)11
    -37(28,29)30/h3-8,14,16-1
    8,24-25H,9-11H2,1-2H3,(H,
    31,32)(H2,28,29,30)/b21-1
    5+/t14-,16-,17-,18-/m1/s1;
    DUDOUSZQLIRFAY-WOXOIZPKSA-N    		 CN1C(=NOCc2ccc(cc2)C(=O)OC)C=CN(C1=O)C3C
    (C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O; COC(=O
    )c1ccc(CON=C2C=CN([CH]3O[CH](CO[P](O)(=O
    )C[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N2C)cc1
    ; COC(=O)c1ccc(CO\N=C\2C=CN([C@@H]3O[C@H
    ](CO[P](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H
    ]3O)C(=O)N\2C)cc1; CN1/C(=N/OCc2ccc(cc2)
    C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([
    C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
    15409 BW1 1 C23 H22 N4 O InChI=1S/C23H22N4O/c24-18
    -8-9-20-21(12-18)26-22(17
    -4-2-1-3-5-17)27-23(20)25
    -13-19-11-16(14-28-19)10-
    15-6-7-15/h1-5,8-9,11-12,
    14-15H,6-7,10,13,24H2,(H,
    25,26,27);
    HXYMFZXSIIYFTR-UHFFFAOYSA-N    		 c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC
    5CC5)N; Nc1ccc2c(NCc3occ(CC4CC4)c3)nc(nc
    2c1)c5ccccc5    		 ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
    15410 BW2 4 C20 H19 N5 O8 S InChI=1S/C20H19N5O8S/c21-
    20-23-14-6-3-11(9-13(14)1
    8(29)24-20)25-34(32,33)12
    -4-1-10(2-5-12)17(28)22-1
    5(19(30)31)7-8-16(26)27/h
    1-6,9,15,25H,7-8H2,(H,22,
    28)(H,26,27)(H,30,31)(H3,
    21,23,24,29);
    ILTMHHAQXFNQFZ-UHFFFAOYSA-N    		 NC1=Nc2ccc(N[S](=O)(=O)c3ccc(cc3)C(=O)NC
    (CCC(O)=O)C(O)=O)cc2C(=O)N1; c1cc(ccc1C(
    =O)NC(CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(
    c2)C(=O)NC(=N3)N; c1cc(ccc1C(=O)N[C@@H](
    CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=
    O)NC(=N3)N; O=C(O)C(NC(=O)c1ccc(cc1)S(=O
    )(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O    		 N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID;
    BW2315U89UC
    15411 BW3
    CHEMBL2059297
    ZINC000013518823    		 1 C8 H16 O6 InChI=1S/C8H16O6/c1-2-13-
    8-7(12)6(11)5(10)4(3-9)14
    -8/h4-12H,2-3H2,1H3/t4-,5
    -,6+,7-,8+/m1/s1;
    WYUFTYLVLQZQNH-CBQIKETKSA-N    		 CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C
    O)O)O)O; CCOC1C(C(C(C(O1)CO)O)O)O; CCO[C
    H]1O[CH](CO)[CH](O)[CH](O)[CH]1O; CCO[C@
    H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;
    Ethyl alpha-D-glucopyranoside
    15412 BW4
    CHEMBL5274712    		 4 C29 H37 Cl N6 O5 InChI=1S/C29H37ClN6O5/c1-
    17-25(24-18(2)34-41-19(24
    )3)32-26(22-12-21(6-7-23(
    22)30)40-14-20(37)13-31-4
    )33-27(17)36-15-29(16-36)
    8-10-35(11-9-29)28(38)39-
    5/h6-7,12,20,31,37H,8-11,
    13-16H2,1-5H3/t20-/m1/s1;
    OWCOTUVKROVONT-HXUWFJFHSA-N    		 Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc
    (ccc4Cl)OCC(CNC)O)c5c(noc5C)C; c1(nc(c(c
    (n1)c2c(C)onc2C)C)N4CC3(CCN(C(OC)=O)CC3)
    C4)c5c(ccc(c5)OCC(O)CNC)Cl; CNC[CH](O)CO
    c1ccc(Cl)c(c1)c2nc(N3CC4(CCN(CC4)C(=O)OC
    )C3)c(C)c(n2)c5c(C)onc5C; Cc1c(nc(nc1N2C
    C3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@
    H](CNC)O)c5c(noc5C)C; CNC[C@@H](O)COc1cc
    c(Cl)c(c1)c2nc(N3CC4(CCN(CC4)C(=O)OC)C3)
    c(C)c(n2)c5c(C)onc5C    		 methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
    15413 BW5 0 C13 H21 N O2 InChI=1S/C13H21NO2/c14-11
    (12(15)16)7-13-4-8-1-9(5-
    13)3-10(2-8)6-13/h8-11H,1
    -7,14H2,(H,15,16)/t8-,9+,
    10-,11-,13-/m0/s1;
    ZAQXSMCYFQJRCQ-FBUUZDRASA-N    		 C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N; C1
    C2CC3CC1CC(C2)(C3)CC(C(=O)O)N; N[CH](CC1
    2CC3CC(CC(C3)C1)C2)C(O)=O; N[C@@H](CC12C
    C3CC(CC(C3)C1)C2)C(O)=O    		 (2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid
    15414 BW6 1 C17 H19 N3 O InChI=1S/C17H19N3O/c1-11-
    17(21)19(2)15-8-5-12(14-4
    -3-9-18-14)10-16(15)20(11
    )13-6-7-13/h3-5,8-11,13,1
    8H,6-7H2,1-2H3/t11-/m1/s1;
    ZSPWREXVPNMKQP-LLVKDONJSA-N    		 C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[nH]cc
    c4; C[C@H]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[
    nH]ccc4; CC1C(=O)N(c2ccc(cc2N1C3CC3)c4cc
    c[nH]4)C; C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC
    3)c4ccc[nH]4)C    		 (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one
    15415 BW7 4 C22 H29 N5 O3 InChI=1S/C22H29N5O3/c1-15
    (2)27-22-19(13-24-27)21(2
    6-6-8-29-9-7-26)11-20(25-
    22)16-4-3-5-18(10-16)30-1
    4-17(28)12-23/h3-5,10-11,
    13,15,17,28H,6-9,12,14,23
    H2,1-2H3/t17-/m1/s1;
    CPPUUUMUDLYZRX-QGZVFWFLSA-N    		 CC(C)n1ncc2c(cc(nc12)c3cccc(OC[CH](O)CN)
    c3)N4CCOCC4; CC(C)n1ncc2c(cc(nc12)c3cccc
    (OC[C@H](O)CN)c3)N4CCOCC4; CC(C)n1c2c(cn
    1)c(cc(n2)c3cccc(c3)OCC(CN)O)N4CCOCC4; C
    C(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H]
    (CN)O)N4CCOCC4; C1COCCN1c2cc(nc3c2cnn3C(
    C)C)c4cccc(c4)OCC(O)CN    		 (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol
    15416 BW8
    CHEMBL4206212    		 2 C22 H18 F2 N4 O5 S InChI=1S/C22H18F2N4O5S/c1
    -25-21(31)18-10-14(6-7-26
    -18)33-13-3-4-17(15(23)9-
    13)28-22(32)27-12-2-5-19(
    16(24)8-12)34-11-20(29)30
    /h2-10H,11H2,1H3,(H,25,31
    )(H,29,30)(H2,27,28,32);
    LUCVAGIVDZCQRA-UHFFFAOYSA-N    		 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(SCC(O)=O
    )c(F)c3)c(F)c2)ccn1; CNC(=O)c1cc(ccn1)Oc
    2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O    		 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid
    15417 BW9 2 C34 H32 Cr N4 O4 InChI=1S/C34H34N4O4.Cr/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+2/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    QHVIRYFVPKUVCD-RGGAHWMASA-L    		 CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Cr][N]5C(=CC
    6=NC(=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O
    )=O)C5=C2)C; Cc1c2n3c(c1C=C)C=C4C(=C(C5=
    [N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O
    )O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C; CC1=C(
    CCC(O)=O)C2=NC1=Cc3n4[Cr][N@@]5C(=CC6=NC
    (=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)
    C5=C2)C    		 Chromium Protoporphyrin IX
    15418 BWA
    CHEMBL4206641    		 4 C22 H18 N4 O3 InChI=1S/C22H18N4O3/c27-2
    0-18-5-1-2-6-19(18)21(28)
    26(20)14-15-7-9-17(10-8-1
    5)25-22(29)24-13-16-4-3-1
    1-23-12-16/h1-12H,13-14H2
    ,(H2,24,25,29);
    KKBVILNJYCRNQY-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)
    NCc4cccnc4; O=C(NCc1cccnc1)Nc2ccc(CN3C(=
    O)c4ccccc4C3=O)cc2; c1(ccc(cc1)CN3C(=O)c
    2ccccc2C3=O)NC(=O)NCc4cnccc4    		 N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea
    15419 BWB 0 C8 H15 N O7 InChI=1S/C8H15NO7/c9-3(7(
    13)14)1-15-8-6(12)5(11)4(
    10)2-16-8/h3-6,8,10-12H,1
    -2,9H2,(H,13,14)/t3-,4?,5
    ?,6?,8?/m0/s1;
    JZKWDGBUDUNWAP-SQYPTRDESA-N    		 C1C(C(C(C(O1)OCC(C(=O)O)N)O)O)O; N[CH](C
    OC1OCC(O)C(O)C1O)C(O)=O; C1[C@H](C(C([C@
    H](O1)OC[C@@H](C(=O)O)N)O)O)O; N[C@@H](C
    OC1OCC(O)C(O)C1O)C(O)=O    		 (2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid
    15420 BWC
    CHEMBL13608
    ZINC000003989258    		 2 C22 H25 F N4 O2 InChI=1S/C22H25FN4O2/c1-1
    3-19(12-17-16-11-15(23)5-
    6-18(16)26-21(17)28)25-14
    (2)20(13)22(29)24-7-10-27
    -8-3-4-9-27/h5-6,11-12,25
    H,3-4,7-10H2,1-2H3,(H,24,
    29)(H,26,28)/b17-12-;
    SRSGVKWWVXWSJT-ATVHPVEESA-N    		 Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(
    =O)NCCN4CCCC4; Cc1c([nH]c(c1C(=O)NCCN2CC
    CC2)C)/C=C\3/c4cc(ccc4NC3=O)F; Cc1[nH]c(
    \C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN
    4CCCC4; Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C
    =C3c4cc(ccc4NC3=O)F    		 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
    15421 BWD
    CHEMBL333964
    DB04000    		 7 C7 H8 Br N3 O4 InChI=1S/C7H8BrN3O4/c8-3-
    1-11(2-4(9)6(13)14)7(15)1
    0-5(3)12/h1,4H,2,9H2,(H,1
    3,14)(H,10,12,15)/t4-/m0/
    s1;
    AEKIJKSVXKWGRJ-BYPYZUCNSA-N    		 N[CH](CN1C=C(Br)C(=O)NC1=O)C(O)=O; N[C@@
    H](CN1C=C(Br)C(=O)NC1=O)C(O)=O; C1=C(C(=
    O)NC(=O)N1CC(C(=O)O)N)Br; C1=C(C(=O)NC(=
    O)N1C[C@@H](C(=O)O)N)Br; O=C(O)C(N)CN1C=
    C(Br)C(=O)NC1=O    		 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
    BROMO-WILLARDIINE
    15422 BWE
    CHEMBL4868619    		 1 C24 H22 F N3 O5 S2 InChI=1S/C24H22FN3O5S2/c1
    -4-35(31,32)18-7-5-16(6-8
    -18)22(27-14(2)29)24(30)2
    8-21-11-17(13-34-21)19-9-
    15(12-26)10-20(25)23(19)3
    3-3/h5-11,13,22H,4H2,1-3H
    3,(H,27,29)(H,28,30)/t22-
    /m1/s1;
    YOJMBDUWFJVSKK-JOCHJYFZSA-N    		 CC[S](=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(
    =O)Nc2scc(c2)c3cc(cc(F)c3OC)C#N; CCS(=O)
    (=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(
    cc(c3OC)F)C#N)NC(=O)C; CCS(=O)(=O)c1ccc(
    cc1)C(C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)
    NC(=O)C; CC[S](=O)(=O)c1ccc(cc1)[CH](NC(
    C)=O)C(=O)Nc2scc(c2)c3cc(cc(F)c3OC)C#N    		 (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
    15423 BWF 2 C8 H11 N O5 InChI=1S/C8H11NO5/c10-6(4
    -7(11)12)5-2-1-3-9(5)8(13
    )14/h4-5,10H,1-3H2,(H,11,
    12)(H,13,14)/b6-4-/t5-/m0
    /s1;
    ROSCYVZNGZEOEY-YIWIKUPCSA-N    		 C1CC(N(C1)C(=O)O)C(=CC(=O)O)O; OC(=O)C=C
    (O)[CH]1CCCN1C(O)=O; C1C[C@H](N(C1)C(=O)
    O)/C(=C/C(=O)O)/O; OC(=O)\C=C(O)\[C@@H]1
    CCCN1C(O)=O    		 (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
    15424 BWG 3 C11 H16 N2 O6 S InChI=1S/C11H18N2O6S/c1-4
    (15)6-2-12-11(20-6)13-10-
    9(18)8(17)7(16)5(3-14)19-
    10/h2,4-5,7-10,14-18H,3H2
    ,1H3,(H,12,13)/t4-,5-,7-,
    8+,9+,10+/m1/s1;
    VVRCICGIWCXPFT-ZMLRDBKSSA-N    		 CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H
    ]([C@H](O2)CO)O)O)O; CC(=O)c1sc(N[CH]2O[
    CH](CO)[CH](O)[CH](O)[CH]2O)nc1; CC(=O)c
    1sc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C
    @@H]2O)nc1; O1C(CO)C(O)C(O)C(O)C1Nc2ncc(
    s2)C(O)C; CC(=O)c1cnc(s1)NC2C(C(C(C(O2)C
    O)O)O)O    		 N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine;
    N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannosylamine;
    N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-D-mannosylamine;
    N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-mannosylamine
    15425 BWH
    CHEMBL5281137    		 4 C44 H38 N6 O12 InChI=1S/C44H38N6O12/c1-2
    3(22-24-4-14-29(51)15-5-2
    4)39(54)46-27-10-6-26(7-1
    1-27)41(56)50-34(20-21-45
    )43(58)47-28-12-8-25(9-13
    -28)40(55)48-32-18-16-30(
    35(52)37(32)61-2)42(57)49
    -33-19-17-31(44(59)60)36(
    53)38(33)62-3/h4-19,22,34
    ,51-53H,20H2,1-3H3,(H,46,
    54)(H,47,58)(H,48,55)(H,4
    9,57)(H,50,56)(H,59,60)/b
    23-22+/t34-/m0/s1;
    NZSWNNDHPOTJNH-VEJILBAHSA-N    		 COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC
    (=O)[C@H](CC#N)NC(=O)c4ccc(NC(=O)C(/C)=C
    /c5ccc(O)cc5)cc4)cc3)c(OC)c2O)C(O)=O; CC
    (=Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC(C
    C#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O
    )C(=O)Nc5ccc(c(c5OC)O)C(=O)O; COc1c(O)c(
    ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[CH](C
    C#N)NC(=O)c4ccc(NC(=O)C(C)=Cc5ccc(O)cc5)
    cc4)cc3)c(OC)c2O)C(O)=O; C/C(=C\c1ccc(cc
    1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C
    (=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O
    )Nc5ccc(c(c5OC)O)C(=O)O    		 albicidin
    15426 BWI 1 C21 H22 N6 O InChI=1S/C21H22N6O/c1-14-
    18(12-24-27(14)16-5-9-28-
    10-6-16)25-20-23-11-15-3-
    2-4-17(19(15)26-20)21(13-
    22)7-8-21/h2-4,11-12,16H,
    5-10H2,1H3,(H,23,25,26);
    NSRPXCKUNCQCDO-UHFFFAOYSA-N    		 Cc1n(ncc1Nc2ncc3cccc(c3n2)C4(CC4)C#N)C5C
    COCC5; N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(
    C2CCOCC2)c1C; Cc1c(cnn1C2CCOCC2)Nc3ncc4c
    ccc(c4n3)C5(CC5)C#N    		 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
    15427 BWJ
    CHEMBL55518    		 1 C7 H9 Cl2 N O6 P2 InChI=1S/C7H9Cl2NO6P2/c8-
    4-1-5(9)3-6(2-4)10-7(17(1
    1,12)13)18(14,15)16/h1-3,
    7,10H,(H2,11,12,13)(H2,14
    ,15,16);
    ALPQLQJFTUXTFT-UHFFFAOYSA-N    		 O[P](O)(=O)C(Nc1cc(Cl)cc(Cl)c1)[P](O)(O)
    =O; c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1
    Cl; c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O
    )O    		 {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
    15428 BWK 1 C4 H10 N6 O InChI=1S/C4H8N6O/c1-10-3(
    7-8-9-10)2-4(11)6-5/h2,5H
    2,1H3,(H,6,11)/p+2;
    MVCFGOJWEMLOIP-UHFFFAOYSA-P    		 Cn1nn[nH+]c1CC(=O)N[NH3+]; Cn1c([nH+]nn1
    )CC(=O)N[NH3+]    		 [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
    15429 BWL 1 C28 H34 F3 N3 O4 InChI=1S/C28H34F3N3O4/c1-
    3-32(4-2)16-17-33(26(36)1
    8-25(35)24-6-5-15-34(24)2
    7(37)38)19-20-7-9-21(10-8
    -20)22-11-13-23(14-12-22)
    28(29,30)31/h7-14,18,24,3
    5H,3-6,15-17,19H2,1-2H3,(
    H,37,38)/b25-18-/t24-/m0/
    s1;
    GTFYUFYLBSPPRI-BUFPPZMGSA-N    		 CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F
    )C(=O)C=C(C3CCCN3C(=O)O)O; CCN(CC)CCN(Cc
    1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[
    C@@H]3CCCN3C(=O)O)\O; CCN(CC)CCN(Cc1ccc(
    cc1)c2ccc(cc2)C(F)(F)F)C(=O)C=C(O)[CH]3C
    CCN3C(O)=O; CCN(CC)CCN(Cc1ccc(cc1)c2ccc(
    cc2)C(F)(F)F)C(=O)\C=C(/O)[C@@H]3CCCN3C(
    O)=O    		 (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
    15430 BWM
    CHEMBL4576037    		 1 C13 H16 N4 O InChI=1S/C13H16N4O/c1-9-1
    5-16-10(2)17(9)13-7-5-4-6
    -12(13)8-14-11(3)18/h4-7H
    ,8H2,1-3H3,(H,14,18);
    FLTCDBPTYKZRMD-UHFFFAOYSA-N    		 CC(=O)NCc1ccccc1n2c(C)nnc2C; c2c(c(n1c(n
    nc1C)C)ccc2)CNC(=O)C; Cc1nnc(n1c2ccccc2C
    NC(=O)C)C    		 N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide
    15431 BWO 2 C30 H35 F6 N3 O5 InChI=1S/C30H35F6N3O5/c1-
    3-37(4-2)14-15-38(27(41)1
    7-25(40)24-6-5-13-39(24)2
    8(42)43)18-20-7-9-21(10-8
    -20)23-12-11-22(30(34,35)
    36)16-26(23)44-19-29(31,3
    2)33/h7-12,16-17,24,40H,3
    -6,13-15,18-19H2,1-2H3,(H
    ,42,43)/b25-17+/t24-/m0/s
    1;
    MYCHXHCCMGJMEM-IOCYEQIYSA-N    		 CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)
    F)C(F)(F)F)C(=O)C=C(C3CCCN3C(=O)O)O; CCN
    (CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C
    (F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O
    ; CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(
    F)F)C(F)(F)F)C(=O)\C=C(O)/[C@@H]3CCCN3C(
    O)=O; CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC
    (F)(F)F)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(
    O)=O    		 (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
    15432 BWP
    DB07501
    ZINC000003581433    		 1 C21 H24 Br N5 O2 InChI=1S/C21H24BrN5O2/c1-
    27(2)13-17(28)14-29-18-10
    -8-16(9-11-18)25-21-23-12
    -19(22)20(26-21)24-15-6-4
    -3-5-7-15/h3-12,17,28H,13
    -14H2,1-2H3,(H2,23,24,25,
    26)/t17-/m0/s1;
    MEIJADBULOETOV-KRWDZBQOSA-N    		 CN(C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(Nc3ccc
    cc3)n2)cc1; Brc1cnc(nc1Nc2ccccc2)Nc3ccc(
    OCC(O)CN(C)C)cc3; CN(C)CC(COc1ccc(cc1)Nc
    2ncc(c(n2)Nc3ccccc3)Br)O; CN(C)C[C@@H](C
    Oc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O; C
    N(C)C[CH](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc
    3)n2)cc1    		 (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL
    15433 BWQ 12 C30 H41 N3 O5 InChI=1S/C30H41N3O5/c1-17
    (2)14-24-27-21(20-11-10-1
    9(15-23(20)31-27)37-18-8-
    6-7-9-18)16-25-28(35)32-2
    2(29(36)33(24)25)12-13-26
    (34)38-30(3,4)5/h10-11,15
    ,17-18,22,24-25,31H,6-9,1
    2-14,16H2,1-5H3,(H,32,35)
    /t22-,24-,25-/m0/s1;
    MVNIRJAHJUCHLD-HVCNVCAESA-N    		 CC(C)C[CH]1N2[CH](Cc3c1[nH]c4cc(OC5CCCC5
    )ccc34)C(=O)N[CH](CCC(=O)OC(C)(C)C)C2=O;
    CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4
    )C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C
    )(C)C; CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c4
    cc(OC5CCCC5)ccc34)C(=O)N[C@@H](CCC(=O)OC
    (C)(C)C)C2=O; CC(C)CC1c2c(c3ccc(cc3[nH]2
    )OC4CCCC4)CC5N1C(=O)C(NC5=O)CCC(=O)OC(C)
    (C)C    		 ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
    15434 BWR
    CHEMBL2431997
    ZINC000096933955    		 2 C20 H23 N5 O2 S InChI=1S/C20H23N5O2S/c21-
    15-5-7-25(8-6-15)10-14-3-
    1-13(2-4-14)9-22-18(26)16
    -11-28-20-17(16)19(27)23-
    12-24-20/h1-4,11-12,15H,5
    -10,21H2,(H,22,26)(H,23,2
    4,27);
    ONQHIHGODGGUGU-UHFFFAOYSA-N    		 c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CC
    C(CC4)N; NC1CCN(CC1)Cc2ccc(CNC(=O)c3csc4
    N=CNC(=O)c34)cc2    		 ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide
    15435 BWS 4 C10 H17 N3 O6 InChI=1S/C10H17N3O6/c1-5(
    9(17)12-4-8(15)16)13-7(14
    )3-2-6(11)10(18)19/h5-6H,
    2-4,11H2,1H3,(H,12,17)(H,
    13,14)(H,15,16)(H,18,19)/
    t5-,6-/m0/s1;
    RPVCUZZJCXVVDW-WDSKDSINSA-N    		 NC(CCC(=O)NC(C(NCC(=O)O)=O)C)C(=O)O; C[C
    H](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O;
    C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O
    )=O; C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H
    ](C(=O)O)N; CC(C(=O)NCC(=O)O)NC(=O)CCC(C
    (=O)O)N    		 L-gamma-glutamyl-L-alanylglycine
    15436 BWT 1 C8 H9 N6 O InChI=1S/C8H8N6O/c9-10-8(
    15)6-3-1-5(2-4-6)7-11-13-
    14-12-7/h1-4H,9H2,(H,10,1
    5)(H,11,12,13,14)/p+1;
    CCKNKILAFRZWPA-UHFFFAOYSA-O    		 [NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2; c1cc(c
    cc1c2n[nH]nn2)C(=O)N[NH3+]    		 [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
    15437 BWU 9 C44 H28 Co N4 InChI=1S/C44H28N4.Co/c1-5
    -13-29(14-6-1)41-37-25-21
    -33(45-37)34-23-27-39(47-
    34)43(31-17-9-3-10-18-31)
    44(32-19-11-4-12-20-32)40
    -28-24-36(48-40)35-22-26-
    38(46-35)42(41)30-15-7-2-
    8-16-30;/h1-28H;/q-2;+2/b
    34-33-,36-35-,41-37-,42-3
    8-,42-41-,43-39-,44-40-,4
    4-43-;;
    PWICVPBSZDUOSZ-LIDSSYNJSA-N    		 c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7
    C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c
    1ccccc1)C=C3)c1ccccc1; [Co]1n2c3ccc2C(=C
    (c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C
    8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%
    10; [Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6
    C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)
    [N@]16)C=C5)c%10ccccc%10    		 Tetraphenylporphycene contating cobalt;
    Co-9,10,19,20-Tetraphenylporphycene
    15438 BWV
    ZINC000027644247    		 0 C10 H22 N4 O2 InChI=1S/C10H22N4O2/c1-2-
    3-6-13-10(12)14-7-4-5-8(1
    1)9(15)16/h8H,2-7,11H2,1H
    3,(H,15,16)(H3,12,13,14)/
    t8-/m0/s1;
    YITCPSLTHIGDAI-QMMMGPOBSA-N    		 CCCCNC(=N)NCCC[C@H](N)C(O)=O; CCCCNC(=N)
    NCCCC(C(=O)O)N; NC(C(O)=O)CCCN/C(NCCCC)=
    N; [H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N;
    CCCCNC(=N)NCCC[CH](N)C(O)=O    		 N~5~-(N-butylcarbamimidoyl)-L-ornithine
    15439 BWW
    CHEMBL5285350    		 1 C19 H14 F N O6 S InChI=1S/C19H14FNO6S/c20-
    12-4-7-17(22)16(9-12)11-2
    -1-3-14(8-11)28(26,27)21-
    13-5-6-15(19(24)25)18(23)
    10-13/h1-10,21-23H,(H,24,
    25);
    DDVUKRHRMBDQTD-UHFFFAOYSA-N    		 OC(=O)c1ccc(N[S](=O)(=O)c2cccc(c2)c3cc(F
    )ccc3O)cc1O; c1cc(cc(c1)S(=O)(=O)Nc2ccc(
    c(c2)O)C(=O)O)c3cc(ccc3O)F    		 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid
    15440 BWX 2 C22 H27 N O3 InChI=1S/C22H27NO3/c1-15(
    2)13-18-9-11-19(12-10-18)
    16(3)21(24)23-20(22(25)26
    )14-17-7-5-4-6-8-17/h4-12
    ,15-16,20H,13-14H2,1-3H3,
    (H,23,24)(H,25,26)/t16-,2
    0-/m0/s1;
    DLGZLSXGUQFDHQ-JXFKEZNVSA-N    		 CC(C)Cc1ccc(cc1)[C@H](C)C(=O)N[C@@H](Cc2
    ccccc2)C(O)=O; CC(C)Cc1ccc(cc1)C(C)C(=O)
    NC(Cc2ccccc2)C(=O)O; CC(C)Cc1ccc(cc1)[CH
    ](C)C(=O)N[CH](Cc2ccccc2)C(O)=O; C[C@@H]
    (c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2
    )C(=O)O    		 (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid;
    N-(S)-Ibuprofenoyl-L-Phenylalanine
    15441 BWY
    CHEMBL4175041    		 1 C25 H34 N6 O2 S InChI=1S/C25H34N6O2S/c1-1
    7(2)31-24(26-16-27-31)21-
    15-29-12-13-33-22-7-6-19(
    14-20(22)23(29)28-21)34(3
    2)18-8-10-30(11-9-18)25(3
    ,4)5/h6-7,14-18H,8-13H2,1
    -5H3/t34-/m0/s1;
    HUAOHTKULCUTBL-UMSFTDKQSA-N    		 CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S
    (=O)C5CCN(CC5)C(C)(C)C; CC(C)n1ncnc1c2cn
    3CCOc4ccc(cc4c3n2)[S](=O)C5CCN(CC5)C(C)(
    C)C; c5nc(c4cn3c(c1c(ccc(c1)S(C2CCN(CC2)
    C(C)(C)C)=O)OCC3)n4)n(n5)C(C)C; CC(C)n1n
    cnc1c2cn3CCOc4ccc(cc4c3n2)[S@@](=O)C5CCN
    (CC5)C(C)(C)C    		 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
    15442 BWZ 1 C8 H9 N6 O InChI=1S/C8H8N6O/c9-10-8(
    15)6-3-1-2-5(4-6)7-11-13-
    14-12-7/h1-4H,9H2,(H,10,1
    5)(H,11,12,13,14)/p+1;
    TVSYEZIXGSKLBM-UHFFFAOYSA-O    		 [NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2; c1cc(c
    c(c1)C(=O)N[NH3+])c2n[nH]nn2    		 [[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
    15443 BX0
    CHEMBL4082171
    ZINC000095911954    		 0 C15 H20 O3 InChI=1S/C15H20O3/c1-8-4-
    5-13(16)15(3)7-12-10(6-11
    (8)15)9(2)14(17)18-12/h6,
    8,10,12-13,16H,2,4-5,7H2,
    1,3H3/t8-,10+,12+,13+,15+
    /m0/s1;
    FRNIMDDQCZHAFA-SCFTVSGOSA-N    		 C[C@H]1CC[C@H]([C@]2(C1=C[C@H]3[C@@H](C2
    )OC(=O)C3=C)C)O; C[C@H]1CC[C@@H](O)[C@]2
    (C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12; CC1CCC
    (C2(C1=CC3C(C2)OC(=O)C3=C)C)O; C[CH]1CC[
    CH](O)[C]2(C)C[CH]3OC(=O)C(=C)[CH]3C=C12    		 (3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one;
    1beta-Hydroxyalantolactone
    15444 BX1
    CHEMBL1231522
    ZINC000058660889    		 1 C19 H24 N4 O5 InChI=1S/C19H24N4O5/c1-26
    -14-8-12(9-15(27-2)16(14)
    28-3)13-10-21-17(20)18(22
    -13)23-6-4-11(5-7-23)19(2
    4)25/h8-11H,4-7H2,1-3H3,(
    H2,20,21)(H,24,25);
    FFHSQDAETWTILU-UHFFFAOYSA-N    		 COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C
    (=O)O)N; COc1cc(cc(OC)c1OC)c2cnc(N)c(n2)
    N3CCC(CC3)C(O)=O; O=C(O)C3CCN(c2nc(c1cc(
    OC)c(OC)c(OC)c1)cnc2N)CC3    		 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
    15445 BX2
    CHEMBL590730
    ZINC000038798476    		 1 C23 H24 N6 O InChI=1S/C23H24N6O/c1-4-1
    9-10-18(11-20(5-2)27-19)2
    3(21(30)29(3)22(24)28-23)
    17-8-6-7-15(9-17)16-12-25
    -14-26-13-16/h6-14H,4-5H2
    ,1-3H3,(H2,24,28)/t23-/m0
    /s1;
    QQPRKWVAAAEILV-QHCPKHFHSA-N    		 CCc1cc(cc(CC)n1)[C@@]2(N=C(N)N(C)C2=O)c3
    cccc(c3)c4cncnc4; O=C2N(C(=NC2(c1cc(nc(c
    1)CC)CC)c4cccc(c3cncnc3)c4)N)C; CCc1cc(c
    c(n1)CC)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4
    cncnc4; CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=
    N2)N)C)c3cccc(c3)c4cncnc4; CCc1cc(cc(CC)
    n1)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc
    4    		 (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
    15446 BX3 3 C27 H30 N4 O3 InChI=1S/C27H30N4O3/c1-17
    (28)31-12-10-24(11-13-31)
    34-23-8-6-20(7-9-23)25(27
    (32)33)15-18-2-3-19-4-5-2
    1(26(29)30)16-22(19)14-18
    /h2-9,14,16,24-25,28H,10-
    13,15H2,1H3,(H3,29,30)(H,
    32,33)/b28-17+/t25-/m0/s1;
    FZLDAJVXFYWRCX-ISAGNRBTSA-N    		 CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4
    ccc(cc4c3)C(=N)N)C(=O)O; CC(=N)N1CCC(CC1
    )Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(N)=
    N)C(O)=O; O=C(O)C(c2ccc(OC1CCN(C(=[N@H])
    C)CC1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4; C
    C(=N)N1CCC(CC1)Oc2ccc(cc2)C(Cc3ccc4ccc(c
    c4c3)C(=N)N)C(=O)O; CC(=N)N1CCC(CC1)Oc2c
    cc(cc2)[CH](Cc3ccc4ccc(cc4c3)C(N)=N)C(O)
    =O    		 (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID;
    BX5633
    15447 BX4
    CHEMBL3763967
    ZINC000263620270    		 2 C12 H12 N2 O2 S InChI=1S/C12H12N2O2S/c13-
    11-3-1-2-10(8-11)9-4-6-12
    (7-5-9)17(14,15)16/h1-8H,
    13H2,(H2,14,15,16);
    BJLAHYUZLVYPAA-UHFFFAOYSA-N    		 c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N; Nc1cc
    cc(c1)c2ccc(cc2)[S](N)(=O)=O; S(=O)(N)(=
    O)c1ccc(cc1)c2cccc(c2)N    		 3'-aminobiphenyl-4-sulfonamide
    15448 BX5 1 C5 H11 N6 O InChI=1S/C5H10N6O/c6-7-5(
    12)3-1-2-4-8-10-11-9-4/h1
    -3,6H2,(H,7,12)(H,8,9,10,
    11)/p+1;
    YTERMGVQHHKOIZ-UHFFFAOYSA-O    		 [NH3+]NC(=O)CCCc1n[nH]nn1; C(Cc1n[nH]nn1
    )CC(=O)N[NH3+]    		 [4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium
    15449 BX6
    CHEMBL4454286    		 5 C12 H18 B N O3 S InChI=1S/C12H18BNO3S/c1-9
    (8-18)12(15)14-11(13(16)1
    7)7-10-5-3-2-4-6-10/h2-6,
    9,11,16-18H,7-8H2,1H3,(H,
    14,15)/t9-,11+/m1/s1;
    FYDJFEUAPCQUQY-KOLCDFICSA-N    		 B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O;
    C[CH](CS)C(=O)N[CH](Cc1ccccc1)B(O)O; B(
    C(Cc1ccccc1)NC(=O)C(C)CS)(O)O; C[C@H](CS
    )C(=O)N[C@@H](Cc1ccccc1)B(O)O    		 [(1R)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid
    15450 BX7
    CHEMBL577784
    ZINC000003986669    		 15 C23 H26 I N7 O2 S InChI=1S/C23H26IN7O2S/c24
    -18-15-27-22(30-20(18)25-
    9-5-10-26-21(32)19-8-4-13
    -34-19)28-16-6-3-7-17(14-
    16)29-23(33)31-11-1-2-12-
    31/h3-4,6-8,13-15H,1-2,5,
    9-12H2,(H,26,32)(H,29,33)
    (H2,25,27,28,30);
    VAVXGGRQQJZYBL-UHFFFAOYSA-N    		 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCN
    C(=O)c4sccc4; O=C(NCCCNc1nc(ncc1I)Nc3ccc
    c(NC(=O)N2CCCC2)c3)c4sccc4; c1cc(cc(c1)N
    C(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4ccc
    s4)I    		 N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
    15451 BX9
    CHEMBL4453017    		 5 C11 H15 B F N O3 S InChI=1S/C11H15BFNO3S/c1-
    7(6-18)11(15)14-10(12(16)
    17)8-2-4-9(13)5-3-8/h2-5,
    7,10,16-18H,6H2,1H3,(H,14
    ,15)/t7-,10+/m1/s1;
    CDDJMEDWZMPIRW-XCBNKYQSSA-N    		 C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(F)cc1;
    B(C(c1ccc(cc1)F)NC(=O)C(C)CS)(O)O; B([C
    @H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O; C
    [CH](CS)C(=O)N[CH](B(O)O)c1ccc(F)cc1    		 [(R)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
    15452 BXA
    CHEMBL60851
    DB02198
    ZINC000003860231    		 19 C2 H3 Br O2 InChI=1S/C2H3BrO2/c3-1-2(
    4)5/h1H2,(H,4,5);
    KDPAWGWELVVRCH-UHFFFAOYSA-N    		 OC(=O)CBr; C(C(=O)O)Br; BrCC(=O)O bromoacetic acid
    15453 BXB
    CHEMBL465952
    ZINC000000355432    		 16 C15 H11 Cl2 N O3 InChI=1S/C15H11Cl2NO3/c16
    -10-2-1-3-11(17)14(10)15(
    19)18-7-9-4-5-12-13(6-9)2
    1-8-20-12/h1-6H,7-8H2,(H,
    18,19);
    NMKJFZCBCIUYHI-UHFFFAOYSA-N    		 c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl
    ; Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2    		 N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
    15454 BXC
    ZINC000058632835    		 0 C25 H50 O5 InChI=1S/C25H50O5/c1-18(2
    )9-6-10-19(3)11-7-12-20(4
    )13-8-14-21(5)15-16-29-25
    -24(28)23(27)22(26)17-30-
    25/h18-28H,6-17H2,1-5H3/t
    19-,20-,21-,22-,23-,24-,2
    5+/m1/s1;
    ZSTFWXWLAGSUTP-RJQIIPCNSA-N    		 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC1C(C(C(CO1
    )O)O)O; C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C
    @@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO
    1)O)O)O; CC(C)CCC[C@@H](C)CCC[C@@H](C)CC
    C[C@@H](C)CCO[C@H]1OC[C@@H](O)[C@@H](O)[
    C@H]1O; O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)C
    1OCC(O)C(O)C1O; CC(C)CCC[CH](C)CCC[CH](C
    )CCC[CH](C)CCO[CH]1OC[CH](O)[CH](O)[CH]1
    O    		 (3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside
    15455 BXD
    CHEMBL2048051
    ZINC000084669160    		 4 C28 H38 F4 N2 O5 S InChI=1S/C28H38F4N2O5S/c1
    -5-38-14-24(28(30,31)32)3
    9-23-12-18(11-21(29)25(23
    )33)9-19-15-40(36,37)16-2
    2(26(19)35)34-13-17-7-6-8
    -20(10-17)27(2,3)4/h6-8,1
    0-12,19,22,24,26,34-35H,5
    ,9,13-16,33H2,1-4H3/t19-,
    22+,24-,26+/m1/s1;
    UJZFSYZNJMWXJO-NJONLQHESA-N    		 CCOCC(C(F)(F)F)Oc1cc(cc(c1N)F)CC2CS(=O)(
    =O)CC(C2O)NCc3cccc(c3)C(C)(C)C; CCOC[C@H
    ](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)
    (=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C
    ; O=S2(=O)CC(C(O)C(NCc1cccc(c1)C(C)(C)C)
    C2)Cc3cc(F)c(N)c(OC(C(F)(F)F)COCC)c3; CC
    OC[CH](Oc1cc(C[CH]2C[S](=O)(=O)C[CH](NCc
    3cccc(c3)C(C)(C)C)[CH]2O)cc(F)c1N)C(F)(F
    )F; CCOC[C@@H](Oc1cc(C[C@@H]2C[S](=O)(=O
    )C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(
    F)c1N)C(F)(F)F    		 (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
    15456 BXE 1 C4 H9 N6 O InChI=1S/C4H8N6O/c5-6-4(1
    1)2-1-3-7-9-10-8-3/h1-2,5
    H2,(H,6,11)(H,7,8,9,10)/p
    +1;
    YTOFZWXGVLOWNC-UHFFFAOYSA-O    		 C(CC(=O)N[NH3+])c1n[nH]nn1; [NH3+]NC(=O)
    CCc1n[nH]nn1    		 [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
    15457 BXF 2 C5 H9 F O4 InChI=1S/C5H9FO4/c6-3-4(8
    )2(7)1-10-5(3)9/h2-5,7-9H
    ,1H2/t2-,3-,4+,5-/m1/s1;
    YVMHSZGJGHRGOD-SQOUGZDYSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O;
    O[C@@H]1CO[C@@H](O)[C@H](F)[C@H]1O; O[CH
    ]1CO[CH](O)[CH](F)[CH]1O; C1C(C(C(C(O1)O
    )F)O)O; FC1C(O)C(O)COC1O    		 2-deoxy-2-fluoro-beta-D-xylopyranose;
    2-deoxy-2-fluoro-beta-D-xylose;
    2-deoxy-2-fluoro-D-xylose;
    2-deoxy-2-fluoro-xylose
    15458 BXG
    CHEMBL5176512    		 2 C17 H12 Cl N3 O4 InChI=1S/C17H12ClN3O4/c1-
    25-11-3-5-15-13(9-11)16(6
    -7-19-15)20-17(22)12-8-10
    (21(23)24)2-4-14(12)18/h2
    -9H,1H3,(H,19,20,22);
    CVTZAGCRUDYUGB-UHFFFAOYSA-N    		 COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-]
    )=O)c2c1; c1(cc(ccc1Cl)[N+]([O-])=O)C(Nc
    2ccnc3c2cc(cc3)OC)=O; COc1ccc2c(c1)c(ccn
    2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]    		 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
    15459 BXH
    CHEMBL1528738
    ZINC000004218258    		 1 C5 H8 N4 O2 InChI=1S/C5H8N4O2/c1-2-11
    -5(10)3-4-6-8-9-7-4/h2-3H
    2,1H3,(H,6,7,8,9);
    NAOHMNNTUFFTBF-UHFFFAOYSA-N    		 CCOC(=O)Cc1n[nH]nn1 ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate
    15460 BXI
    CHEMBL5073571    		 1 C23 H28 Cl2 N6 O2 InChI=1S/C23H28Cl2N6O2/c1
    -23(2,32)13-31-21(25)20(1
    0-27-31)29-22-26-9-15-7-1
    8(24)17(8-19(15)28-22)14-
    3-5-30(6-4-14)16-11-33-12
    -16/h7-10,14,16,32H,3-6,1
    1-13H2,1-2H3,(H,26,28,29);
    MYRFCAOJVUFSNI-UHFFFAOYSA-N    		 CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C4CC
    N(CC4)C5COC5)c1Cl; CC(C)(Cn1c(c(cn1)Nc2n
    cc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O;
    CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4
    )c(Cl)cc3cn2)c1Cl    		 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol
    15461 BXJ 1 C34 H37 N7 O4 InChI=1S/C34H37N7O4/c1-22
    -26(6-5-7-29(22)39-32(42)
    23-8-11-25(12-9-23)40-14-
    3-2-4-15-40)30-21-36-33(4
    3)31(38-30)37-24-10-13-27
    (28(35)20-24)34(44)41-16-
    18-45-19-17-41/h5-13,20-2
    1,30H,2-4,14-19,35H2,1H3,
    (H,37,38)(H,39,42);
    DCSDBJGDUKAXOF-UHFFFAOYSA-N    		 Cc1c(NC(=O)c2ccc(cc2)N3CCCCC3)cccc1[CH]4
    C=NC(=O)C(=N4)Nc5ccc(c(N)c5)C(=O)N6CCOCC
    6; Cc1c(NC(=O)c2ccc(cc2)N3CCCCC3)cccc1[C
    @@H]4C=NC(=O)C(=N4)Nc5ccc(c(N)c5)C(=O)N6
    CCOCC6; Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCC
    C3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6
    CCOCC6; C1(=NC(C=NC1=O)c4c(c(NC(c3ccc(N2
    CCCCC2)cc3)=O)ccc4)C)Nc6ccc(C(N5CCOCC5)=
    O)c(c6)N    		 N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide
    15462 BXK
    CHEMBL4473741    		 1 C12 H19 N O8 InChI=1S/C12H19NO8/c1-6(2
    )5-7(10(16)17)13-12(20)21
    -8(11(18)19)3-4-9(14)15/h
    6-8H,3-5H2,1-2H3,(H,13,20
    )(H,14,15)(H,16,17)(H,18,
    19)/t7-,8+/m1/s1;
    WQDZXAWSGIQGKR-SFYZADRCSA-N    		 CC(C)CC(C(=O)O)NC(=O)OC(CCC(=O)O)C(=O)O;
    CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)
    C(O)=O; CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H]
    (CCC(=O)O)C(=O)O; CC(C)C[C@@H](NC(=O)O[C
    @@H](CCC(O)=O)C(O)=O)C(O)=O    		 (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
    15463 BXL
    ZINC000095920872    		 2 C20 H23 N3 O2 InChI=1S/C20H23N3O2/c21-1
    7-12-8-9-13-18(17)23-20(2
    5)15-7-2-1-6-14-19(24)22-
    16-10-4-3-5-11-16/h1,3-6,
    8-13H,2,7,14-15,21H2,(H,2
    2,24)(H,23,25)/b6-1+;
    WWKBRKDVEBSJBW-LZCJLJQNSA-N    		 c1ccc(cc1)NC(=O)CC=CCCCC(=O)Nc2ccccc2N;
    Nc1ccccc1NC(=O)CCCC=CCC(=O)Nc2ccccc2; Nc
    1ccccc1NC(=O)CCC/C=C/CC(=O)Nc2ccccc2; c1
    ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N;
    O=C(Nc1ccccc1N)CCC/C=C/CC(=O)Nc2ccccc2    		 (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide
    15464 BXM
    CHEMBL1973138
    ZINC000063539615    		 1 C34 H37 N5 O4 InChI=1S/C34H37N5O4/c1-22
    -27(7-6-8-28(22)37-31(40)
    23-9-12-26(13-10-23)34(2,
    3)4)25-19-29(33(42)38(5)2
    1-25)36-30-14-11-24(20-35
    -30)32(41)39-15-17-43-18-
    16-39/h6-14,19-21H,15-18H
    2,1-5H3,(H,35,36)(H,37,40
    );
    WHRCWROQSJHEBV-UHFFFAOYSA-N    		 Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN
    (C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C;
    CN1C=C(C=C(Nc2ccc(cn2)C(=O)N3CCOCC3)C1=O
    )c4cccc(NC(=O)c5ccc(cc5)C(C)(C)C)c4C; c4
    (C=3C=C(Nc1ccc(cn1)C(=O)N2CCOCC2)C(=O)N(
    C=3)C)cccc(c4C)NC(=O)c5ccc(cc5)C(C)(C)C    		 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
    15465 BXN
    CHEMBL4532268    		 3 C23 H33 Cl2 N5 O2 S InChI=1S/C23H33Cl2N5O2S/c
    1-16-22(17(2)27(3)26-16)2
    8(4)33(31,32)23-20(24)13-
    18(14-21(23)25)7-5-9-29-1
    1-12-30-10-6-8-19(30)15-2
    9/h13-14,19H,5-12,15H2,1-
    4H3/t19-/m1/s1;
    IMQPHOQRHBIWQQ-LJQANCHMSA-N    		 Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3
    CCN4CCC[CH]4C3)cc2Cl)c1C; Cc1c(c(n(n1)C)
    C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC
    C4C3)Cl; Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl
    )cc(CCCN3CCN4CCC[C@@H]4C3)cc2Cl)c1C; Cc1
    c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)C
    CCN3CCN4CCC[C@@H]4C3)Cl    		 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
    15466 BXO
    ZINC000013514543    		 12 C4 H9 N O InChI=1S/C4H9NO/c1-2-3-4-
    5-6/h4,6H,2-3H2,1H3/b5-4-;
    KGGVGTQEGGOZRN-PLNGDYQASA-N    		 CCCC=NO; CCC\C=N/O; N(/O)=C/CCC (1Z)-butanal oxime;
    n-Butyraldoxime
    15467 BXP 0 C10 H18 O9 InChI=1S/C10H18O9/c11-3-1
    -18-10(8(15)5(3)12)19-4-2
    -17-9(16)7(14)6(4)13/h3-1
    6H,1-2H2/t3-,4-,5+,6+,7-,
    8-,9-,10+/m1/s1;
    LGQKSQQRKHFMLI-SJYYZXOBSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2C
    O[C@H]([C@@H]([C@H]2O)O)O)O)O)O; O[CH]1C
    O[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](
    O)[CH]1O; O[C@@H]1CO[C@@H](O[C@@H]2CO[C@
    @H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O; O
    (C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O; C1C(C(
    C(C(O1)OC2COC(C(C2O)O)O)O)O)O    		 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose;
    XYLOBIOSE
    15468 BXQ
    CHEMBL2047912
    ZINC000084653847    		 1 C26 H34 F4 N2 O4 S InChI=1S/C26H34F4N2O4S/c1
    -25(2,3)19-6-4-5-15(9-19)
    12-32-21-14-37(35,36)13-1
    8(24(21)34)8-16-7-17(23(3
    1)20(27)10-16)11-22(33)26
    (28,29)30/h4-7,9-10,18,21
    -22,24,32-34H,8,11-14,31H
    2,1-3H3/t18-,21+,22+,24+/
    m1/s1;
    GCVKLIOGBJALOK-VPJOFFEXSA-N    		 CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@
    H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F
    )(F)F)O; CC(C)(C)c1cccc(CN[CH]2C[S](=O)(
    =O)C[CH](Cc3cc(F)c(N)c(C[CH](O)C(F)(F)F)
    c3)[CH]2O)c1; CC(C)(C)c1cccc(CN[C@H]2C[S
    ](=O)(=O)C[C@@H](Cc3cc(F)c(N)c(C[C@H](O)
    C(F)(F)F)c3)[C@@H]2O)c1; CC(C)(C)c1cccc(
    c1)CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(c3)F)N
    )CC(C(F)(F)F)O; O=S2(=O)CC(C(O)C(NCc1ccc
    c(c1)C(C)(C)C)C2)Cc3cc(c(N)c(F)c3)CC(O)C
    (F)(F)F    		 (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
    15469 BXR
    ZINC000098208710    		 0 C9 H10 Cl N5 InChI=1S/C9H10ClN5/c10-8-
    1-2-9(7(5-8)3-4-11)15-6-1
    2-13-14-15/h1-2,5-6H,3-4,
    11H2;
    VMVXFDLIHIAWEH-UHFFFAOYSA-N    		 Clc1cc(c(cc1)n2nnnc2)CCN; NCCc1cc(Cl)ccc
    1n2cnnn2; c1cc(c(cc1Cl)CCN)n2cnnn2    		 2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine
    15470 BXS
    ZINC000100487028    		 1 C12 H10 O6 InChI=1S/C12H10O6/c13-8(6
    -9(14)12(15)16)7-1-2-10-1
    1(5-7)18-4-3-17-10/h1-2,5
    -6,14H,3-4H2,(H,15,16)/b9
    -6-;
    PXVGKLGOADHWIZ-TWGQIWQCSA-N    		 c1c(C([C@H]=C(C(O)=O)O)=O)cc2c(c1)OCCO2;
    c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2; c
    1cc2c(cc1C(=O)C=C(C(=O)O)O)OCCO2; OC(=O)
    \C(O)=C\C(=O)c1ccc2OCCOc2c1; OC(=O)C(O)=
    CC(=O)c1ccc2OCCOc2c1    		 (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid
    15471 BXT 0 C7 H14 N2 O4 InChI=1S/C7H14N2O4/c1-3-9
    (2)7(12)13-4-5(8)6(10)11/
    h5H,3-4,8H2,1-2H3,(H,10,1
    1)/t5-/m0/s1;
    UYBASDIYBHKZCX-YFKPBYRVSA-N    		 CCN(C)C(=O)OC[C@@H](C(=O)O)N; CCN(C)C(=O
    )OC[CH](N)C(O)=O; CCN(C)C(=O)OC[C@H](N)C
    (O)=O; CCN(C)C(=O)OCC(C(=O)O)N    		 (2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
    15472 BXU
    CHEMBL4545947    		 5 C11 H15 B F N O3 S InChI=1S/C11H15BFNO3S/c1-
    7(6-18)11(15)14-10(12(16)
    17)8-2-4-9(13)5-3-8/h2-5,
    7,10,16-18H,6H2,1H3,(H,14
    ,15)/t7-,10-/m1/s1;
    CDDJMEDWZMPIRW-GMSGAONNSA-N    		 B(C(c1ccc(cc1)F)NC(=O)C(C)CS)(O)O; B([C@
    @H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O; C
    [C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(F)cc1;
    C[CH](CS)C(=O)N[CH](B(O)O)c1ccc(F)cc1    		 [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
    15473 BXV
    CHEMBL2397148
    ZINC000102712860    		 1 C21 H21 F3 N2 O5 InChI=1S/C21H21F3N2O5/c22
    -21(23,24)31-18-11-5-15(6
    -12-18)26-20(29)25-14-3-9
    -17(10-4-14)30-16-7-1-13(
    2-8-16)19(27)28/h1-2,5-8,
    11-12,14,17H,3-4,9-10H2,(
    H,27,28)(H2,25,26,29)/t14
    -,17-;
    XDVFKCZZXOGEMN-CZIWCDLHSA-N    		 c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(
    cc3)OC(F)(F)F; FC(F)(F)Oc1ccc(cc1)NC(NC2
    CCC(CC2)Oc3ccc(cc3)C(O)=O)=O; OC(=O)c1cc
    c(O[CH]2CC[CH](CC2)NC(=O)Nc3ccc(OC(F)(F)
    F)cc3)cc1; OC(=O)c1ccc(O[C@@H]2CC[C@H](C
    C2)NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc1    		 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
    15474 BXW
    ZINC000098208711    		 1 C9 H7 N O3 S InChI=1S/C9H7NO3S/c11-8-4
    -14-7-3-5(9(12)13)1-2-6(7
    )10-8/h1-3H,4H2,(H,10,11)
    (H,12,13);
    PMIQHWMFUZMWOX-UHFFFAOYSA-N    		 OC(=O)c1ccc2NC(=O)CSc2c1; c1cc2c(cc1C(=O
    )O)SCC(=O)N2; O=C(O)c2ccc1c(SCC(=O)N1)c2    		 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
    15475 BXX
    ZINC000001530353    		 29 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-SQOUGZDYSA-N    		 C(C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH
    ](O)[CH]1O; OC[C@H]1O[C@@H](O)[C@@H](O)[
    C@@H]1O; C([C@@H]1[C@H]([C@@H]([C@@H](O1
    )O)O)O)O; OC1C(OC(O)C1O)CO    		 beta-D-arabinofuranose;
    beta-D-arabinose;
    D-arabinose;
    arabinose
    15476 BXY
    DB01936
    ZINC000003581471    		 57 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-MBMOQRBOSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O;
    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; OC1C(OC(O)C1O)CO    		 alpha-D-arabinofuranose;
    alpha-D-arabinose;
    D-arabinose;
    arabinose
    15477 BXZ
    CHEMBL361078
    DB07502
    ZINC000013583554    		 1 C13 H8 Br N O4 InChI=1S/C13H8BrNO4/c14-9
    -4-8(10(17)5-11(9)18)13-7
    -2-1-6(16)3-12(7)19-15-13
    /h1-5,16-18H;
    LZACPHWPRDKUPK-UHFFFAOYSA-N    		 Oc1ccc2c(onc2c3cc(Br)c(O)cc3O)c1; c1cc2c
    (cc1O)onc2c3cc(c(cc3O)O)Br; Brc3cc(c2noc
    1cc(O)ccc12)c(O)cc3O    		 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
    15478 BY0
    CHEMBL4460127    		 2 C14 H18 B N O4 S InChI=1S/C14H18BNO4S/c1-9
    (8-21)14(17)16-13(15(18)1
    9)6-10-7-20-12-5-3-2-4-11
    (10)12/h2-5,7,9,13,18-19,
    21H,6,8H2,1H3,(H,16,17)/t
    9-,13-/m1/s1;
    RHFFZKGRUWBIGC-NOZJJQNGSA-N    		 C[C@H](CS)C(=O)N[C@H](Cc1coc2ccccc12)B(O
    )O; B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](
    C)CS)(O)O; B(C(Cc1coc2c1cccc2)NC(=O)C(C)
    CS)(O)O; C[CH](CS)C(=O)N[CH](Cc1coc2cccc
    c12)B(O)O    		 [(1S)-2-(1-benzofuran-3-yl)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid
    15479 BY1 1 C10 H9 N O2 S InChI=1S/C10H9NO2S/c1-9-3
    -5-10(6-4-9)14(12,13)8-2-
    7-11/h2-6,8H,1H3;
    DOEWDSDBFRHVAP-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)C=CC#N; Cc1ccc(cc1)[
    S](=O)(=O)C=CC#N; Cc1ccc(cc1)S(=O)(=O)/C
    =C/C#N; Cc1ccc(cc1)[S](=O)(=O)/C=C/C#N;
    O=S(=O)(\C=C\C#N)c1ccc(cc1)C    		 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile;
    BAY 11-7082
    15480 BY2 1 C14 H22 N2 O3 InChI=1S/C14H22N2O3/c1-6-
    16(5)14(18)19-11-7-8-13(1
    7)12(9-11)10(2)15(3)4/h7-
    10,17H,6H2,1-5H3/t10-/m1/
    s1;
    QLWZODGBJZFYGE-SNVBAGLBSA-N    		 CCN(C)C(=O)Oc1ccc(O)c(c1)[CH](C)N(C)C; C
    CN(C)C(=O)Oc1ccc(O)c(c1)[C@@H](C)N(C)C;
    CCN(C)C(=O)Oc1ccc(c(c1)C(C)N(C)C)O; CCN(
    C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O    		 [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate
    15481 BY3 4 C19 H19 Cl N3 O8 P InChI=1S/C19H19ClN3O8P/c1
    -10-16(24)12(11(7-21-10)9
    -31-32(28,29)30)8-22-15(1
    7(25)26)6-19(20)13-4-2-3-
    5-14(13)23-18(19)27/h2-5,
    7-8,15,24H,6,9H2,1H3,(H,2
    3,27)(H,25,26)(H2,28,29,3
    0)/b22-8+/t15-,19-/m0/s1;
    BXXCZCGSFDLCHB-ABVQHWRVSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC2(c3cccc
    c3NC2=O)Cl)C(=O)O)O; Cc1ncc(CO[P](O)(O)=
    O)c(C=N[C@@H](C[C@@]2(Cl)C(=O)Nc3ccccc23
    )C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/C
    =N/C(C[C@@]2(c3ccccc3NC2=O)Cl)C(=O)O)O;
    O=P(O)(O)OCc1cnc(C)c(O)c1/C=N/C(CC1(Cl)c
    2ccccc2NC1=O)C(=O)O; Cc1ncc(CO[P](O)(O)=
    O)c(C=N[CH](C[C]2(Cl)C(=O)Nc3ccccc23)C(O
    )=O)c1O    		 (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
    15482 BY4
    ZINC000100287409    		 1 C9 H10 N2 O InChI=1S/C9H10N2O/c1-5-3-
    2-4-6-7(5)8(10)9(12)11-6/
    h2-4,8H,10H2,1H3,(H,11,12
    )/t8-/m1/s1;
    DXMQUOQQGLIRSR-MRVPVSSYSA-N    		 Cc1cccc2NC(=O)[CH](N)c12; Cc1cccc2c1[C@H
    ](C(=O)N2)N; Cc1cccc2NC(=O)[C@H](N)c12;
    Cc1cccc2c1C(C(=O)N2)N    		 (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one
    15483 BY5
    CHEMBL4126465    		 1 C9 H5 F3 O2 S InChI=1S/C9H5F3O2S/c10-5-
    1-2-6(11)8(12)4(5)3-7(15)
    9(13)14/h1-3,15H,(H,13,14
    )/b7-3-;
    AFXJYTIRLSCBCG-CLTKARDFSA-N    		 c1cc(c(c(c1F)C=C(C(=O)O)S)F)F; c1cc(c(c(
    c1F)/C=C(/C(=O)O)\S)F)F; OC(=O)C(S)=Cc1c
    (F)ccc(F)c1F; OC(=O)\C(S)=C\c1c(F)ccc(F)
    c1F    		 (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid
    15484 BY6
    CHEMBL1231529
    DB12992    		 4 C60 H96 N20 O21 S2 InChI=1S/C60H96N20O21S2/c
    1-25-38(77-51(80-49(25)64
    )30(17-36(63)84)72-18-29(
    62)50(65)90)55(94)79-40(4
    6(31-19-69-24-73-31)99-59
    -48(44(88)42(86)34(20-81)
    98-59)100-58-45(89)47(101
    -60(66)96)43(87)35(21-82)
    97-58)56(95)74-27(3)41(85
    )26(2)52(91)78-39(28(4)83
    )54(93)71-16-9-37-75-33(2
    3-102-37)57-76-32(22-103-
    57)53(92)70-15-8-14-68-12
    -6-5-11-67-13-7-10-61/h19
    ,22-24,26-30,34-35,39-48,
    58-59,67-68,72,81-83,85-8
    9H,5-18,20-21,61-62H2,1-4
    H3,(H2,63,84)(H2,65,90)(H
    2,66,96)(H,69,73)(H,70,92
    )(H,71,93)(H,74,95)(H,78,
    91)(H,79,94)(H2,64,77,80)
    /t26-,27+,28+,29-,30-,34-
    ,35+,39-,40-,41-,42+,43+,
    44-,45-,46-,47-,48-,58+,5
    9-/m0/s1;
    FOUFFVYWFNBHHH-YNGSZULRSA-N    		 Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O
    )NC(C(c2c[nH]cn2)OC3C(C(C(C(O3)CO)O)O)OC
    4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C
    (C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(c
    s6)C(=O)NCCCNCCCCNCCCN)O; O=C(N)CC(NCC(C
    (=O)N)N)c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)
    C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C(=O
    )NCCCNCCCCNCCCN)cs3)C(O)C)C)C(OC5OC(CO)C
    (O)C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6nc
    nc6)C; Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@
    H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn
    2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO
    )O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4
    )CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H
    ](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc
    (cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O; C[C
    H](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)NC(
    =O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N)=O
    )NC[CH](N)C(N)=O)[CH](O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[C
    H](OC(N)=O)[CH]3O)c4c[nH]cn4)C(=O)NCCc5s
    cc(n5)c6scc(n6)C(=O)NCCCNCCCCNCCCN; C[C@
    @H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H
    ](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@
    H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@
    H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[
    C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C
    @@H]3O)c4c[nH]cn4)C(=O)NCCc5scc(n5)c6scc
    (n6)C(=O)NCCCNCCCCNCCCN    		 [(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3R,4R)-5-[[(2R,3S)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate;
    Bleomycin A6
    15485 BY7
    CHEMBL4084484    		 4 C20 H26 F3 N3 InChI=1S/C20H26F3N3/c1-14
    -9-18(25-19(24)10-14)7-6-
    16-11-15(5-4-8-26(2)3)12-
    17(13-16)20(21,22)23/h9-1
    3H,4-8H2,1-3H3,(H2,24,25);
    CTKGSJUPWJLHAK-UHFFFAOYSA-N    		 FC(F)(F)c1cc(CCCN(C)C)cc(c1)CCc2nc(N)cc(
    c2)C; CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c
    1)C(F)(F)F; Cc1cc(nc(c1)N)CCc2cc(cc(c2)C
    (F)(F)F)CCCN(C)C    		 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
    15486 BY8
    CHEMBL4216809    		 2 C23 H21 N O3 S InChI=1S/C23H21NO3S/c1-13
    -6-7-15(18-5-3-2-4-17(13)
    18)10-16-11-20(25)24-19(2
    3(26)27)12-28-22(24)21(16
    )14-8-9-14/h2-7,11,14,19H
    ,8-10,12H2,1H3,(H,26,27)/
    t19-/m0/s1;
    XQPUCYFOBBJYCO-IBGZPJMESA-N    		 Cc1ccc(CC2=CC(=O)N3[CH](CSC3=C2C4CC4)C(O
    )=O)c5ccccc15; Cc1ccc(CC2=CC(=O)N3[C@@H]
    (CSC3=C2C4CC4)C(O)=O)c5ccccc15; Cc1ccc(c
    2c1cccc2)CC3=CC(=O)N4C(CSC4=C3C5CC5)C(=O
    )O; Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](
    CSC4=C3C5CC5)C(=O)O    		 (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
    15487 BY9
    CHEMBL3589062
    ZINC000001539107    		 3 C26 H21 N3 O7 InChI=1S/C26H21N3O7/c30-9
    -14-21(31)22(32)23(33)26(
    36-14)29-13-8-4-2-6-11(13
    )16-18-17(24(34)28-25(18)
    35)15-10-5-1-3-7-12(10)27
    -19(15)20(16)29/h1-8,14,2
    1-23,26-27,30-33H,9H2,(H,
    28,34,35)/t14-,21-,22+,23
    -,26-/m1/s1;
    FAKJOUAYZNXZGV-QCUUGYDUSA-N    		 c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)C
    7C(C(C(C(O7)CO)O)O)O)C(=O)NC4=O; c1ccc2c
    (c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C
    @@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O
    )NC4=O; OC[C@H]1O[C@H]([C@H](O)[C@@H](O)
    [C@@H]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c
    7C(=O)NC(=O)c47; c1c7c(ccc1)c3c(c5c(c2C(
    =O)NC(c23)=O)c4ccccc4n5C6OC(C(C(C6O)O)O)
    CO)n7; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O
    )n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7C(=O)NC
    (=O)c47    		 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione;
    rebeccamycin analogue
    15488 BYA
    CHEMBL1231530
    ZINC000000012614    		 1 C10 H11 N O3 InChI=1S/C10H11NO3/c12-9(
    13)6-7-11-10(14)8-4-2-1-3
    -5-8/h1-5H,6-7H2,(H,11,14
    )(H,12,13);
    CWXYHOHYCJXYFQ-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)NCCC(=O)O; OC(=O)CCNC(=O)
    c1ccccc1; O=C(NCCC(=O)O)c1ccccc1    		 N-(phenylcarbonyl)-beta-alanine
    15489 BYB 5 C19 H18 F2 N6 O2 InChI=1S/C19H18F2N6O2/c20
    -10-5-11-15(26-27-16(11)2
    2-6-10)18-23-7-12(21)17(2
    5-18)24-14-9-3-1-8(2-4-9)
    13(14)19(28)29/h5-9,13-14
    H,1-4H2,(H,28,29)(H,22,26
    ,27)(H,23,24,25)/t8-,9+,1
    3-,14-/m0/s1;
    YCNZDZZTLLGBPM-WAYYCVMKSA-N    		 OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc3nc(ncc3F
    )c4n[nH]c5ncc(F)cc45; c1c(cnc2c1c(n[nH]2
    )c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O
    )O)F)F; c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)NC
    4C5CCC(C4C(=O)O)CC5)F)F; OC(=O)[CH]1C2CC
    C(CC2)[CH]1Nc3nc(ncc3F)c4n[nH]c5ncc(F)cc
    45    		 (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
    15490 BYC
    ZINC000008551184    		 23 C28 H40 N7 O17 P3 S InChI=1S/C28H40N7O17P3S/c
    1-28(2,22(38)25(39)31-9-8
    -18(36)30-10-11-56-27(40)
    16-6-4-3-5-7-16)13-49-55(
    46,47)52-54(44,45)48-12-1
    7-21(51-53(41,42)43)20(37
    )26(50-17)35-15-34-19-23(
    29)32-14-33-24(19)35/h3-7
    ,14-15,17,20-22,26,37-38H
    ,8-13H2,1-2H3,(H,30,36)(H
    ,31,39)(H,44,45)(H,46,47)
    (H2,29,32,33)(H2,41,42,43
    )/t17-,20-,21-,22+,26-/m1
    /s1;
    VEVJTUNLALKRNO-TYHXJLICSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)c4ccccc4)O; O=C(SCCNC(=O)CCNC(
    =O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(
    n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4cccc
    c4; CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C
    @@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3
    N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(
    =O)c4ccccc4)O; CC(C)(CO[P](O)(=O)O[P](O)
    (=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=
    O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)N
    CCSC(=O)c4ccccc4; CC(C)(CO[P](O)(=O)O[P]
    (O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P
    ](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O
    )NCCC(=O)NCCSC(=O)c4ccccc4    		 benzoyl coenzyme A
    15491 BYD
    CHEMBL1979892
    ZINC000004809443    		 0 C8 H8 N2 O4 InChI=1S/C8H8N2O4/c11-7(9
    -13)5-1-2-6(4-3-5)8(12)10
    -14/h1-4,13-14H,(H,9,11)(
    H,10,12);
    YAJCYOUHZABXFT-UHFFFAOYSA-N    		 ONC(=O)c1ccc(cc1)C(=O)NO; c1cc(ccc1C(=O)
    NO)C(=O)NO; c1cc(ccc1C(NO)=O)C(NO)=O    		 N,N'-dihydroxybenzene-1,4-dicarboxamide
    15492 BYE
    CHEMBL4636079
    ZINC000038330738    		 2 C15 H12 Cl F3 N4 O InChI=1S/C15H12ClF3N4O/c1
    -8(15(17,18)19)6-12-21-13
    -9(14(24)22-12)7-20-23(13
    )11-5-3-2-4-10(11)16/h2-5
    ,7-8H,6H2,1H3,(H,21,22,24
    )/t8-/m0/s1;
    FFPXPXOAFQCNBS-QMMMGPOBSA-N    		 FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccc
    cc3Cl; CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3C
    l)C(F)(F)F; C[C@@H](CC1=NC(=O)c2cnn(c2N1
    )c3ccccc3Cl)C(F)(F)F; C[CH](CC1=NC(=O)c2
    cnn(c2N1)c3ccccc3Cl)C(F)(F)F    		 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    15493 BYG
    ZINC000058632614    		 2 C22 H32 N6 O10 S2 InChI=1S/C22H32N6O10S2/c2
    3-13(21(34)35)5-6-16(30)2
    5-14(20(33)24-11-17(31)32
    )12-40-22(39-10-4-2-1-3-9
    -29)8-7-15(28(36)37)18-19
    (22)27-38-26-18/h7,13-14,
    29H,1-6,8-12,23H2,(H,24,3
    3)(H,25,30)(H,31,32)(H,34
    ,35)/t13-,14-,22+/m0/s1;
    DZIARIAPFJPVSN-FBJOKTGGSA-N    		 N[CH](CCC(=O)N[CH](CS[C]1(CC=C(c2nonc12)
    [N+]([O-])=O)SCCCCCCO)C(=O)NCC(O)=O)C(O)
    =O; C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@
    H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
    )[N+](=O)[O-]; O=C(O)C(N)CCC(=O)NC(C(=O)
    NCC(=O)O)CSC1(SCCCCCCO)c2nonc2C(=CC1)[N+
    ]([O-])=O; N[C@@H](CCC(=O)N[C@@H](CS[C@@
    ]1(CC=C(c2nonc12)[N+]([O-])=O)SCCCCCCO)C
    (=O)NCC(O)=O)C(O)=O; C1C=C(c2c(non2)C1(S
    CCCCCCO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O
    )O)N)[N+](=O)[O-]    		 L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine
    15494 BYH
    CHEMBL1738777
    ZINC000000034355    		 1 C17 H16 N4 S2 InChI=1S/C17H16N4S2/c1-20
    -14-8-4-5-9-15(14)21(17(2
    0)22)10-11-23-16-18-12-6-
    2-3-7-13(12)19-16/h2-9H,1
    0-11H2,1H3,(H,18,19);
    KDPSGIFCBZTBEZ-UHFFFAOYSA-N    		 CN1C(=S)N(CCSc2[nH]c3ccccc3n2)c4ccccc14;
    S=C2N(c1ccccc1N2CCSc4nc3ccccc3n4)C; CN1
    c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3    		 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
    15495 BYI
    CHEMBL2158411    		 1 C54 H52 N4 O16 S2 InChI=1S/C54H52N4O16S2/c1
    -51(2,3)73-49(67)55-33-19
    -13-29(14-20-33)43(59)57-
    53(47(63)64)41(31-17-23-3
    5(37(27-31)69-7)71-45(61)
    39-11-9-25-75-39)54(48(65
    )66,58-44(60)30-15-21-34(
    22-16-30)56-50(68)74-52(4
    ,5)6)42(53)32-18-24-36(38
    (28-32)70-8)72-46(62)40-1
    2-10-26-76-40/h9-28,41-42
    H,1-8H3,(H,55,67)(H,56,68
    )(H,57,59)(H,58,60)(H,63,
    64)(H,65,66)/t41-,42+,53+
    ,54-;
    JSLFGFBQFKCNSQ-NHONBVHKSA-N    		 CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NC2(C(C(C2
    c3ccc(c(c3)OC)OC(=O)c4cccs4)(C(=O)O)NC(=
    O)c5ccc(cc5)NC(=O)OC(C)(C)C)c6ccc(c(c6)O
    C)OC(=O)c7cccs7)C(=O)O; COc1cc(ccc1OC(=O
    )c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)OC(C
    )(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC
    )c5)[C]3(NC(=O)c7ccc(NC(=O)OC(C)(C)C)cc7
    )C(O)=O)C(O)=O; COc1cc(ccc1OC(=O)c2sccc2
    )[C@@H]3[C@](NC(=O)c4ccc(NC(=O)OC(C)(C)C
    )cc4)([C@H](c5ccc(OC(=O)c6sccc6)c(OC)c5)
    [C@@]3(NC(=O)c7ccc(NC(=O)OC(C)(C)C)cc7)C
    (O)=O)C(O)=O    		 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
    15496 BYJ
    CHEMBL4103382    		 4 C18 H25 N3 InChI=1S/C18H25N3/c1-14-1
    1-17(21-18(19)12-14)9-8-1
    6-6-3-5-15(13-16)7-4-10-2
    0-2/h3,5-6,11-13,20H,4,7-
    10H2,1-2H3,(H2,19,21);
    CUTMJYPBBFYFJH-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC; CNCCCc1
    cccc(CCc2cc(C)cc(N)n2)c1; Nc1cc(C)cc(n1)
    CCc2cccc(c2)CCCNC    		 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
    15497 BYK 2 C21 H21 N2 O3 S InChI=1S/C21H20N2O3S/c1-2
    2(2)19-15(10-14-8-5-7-13-
    6-3-4-9-16(13)14)11-18(24
    )23-17(21(25)26)12-27-20(
    19)23/h3-9,11,17H,10,12H2
    ,1-2H3,(H,25,26)/p+1/t17-
    /m0/s1;
    BCEJXMPUFHXHBT-KRWDZBQOSA-O    		 C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C
    =C1Cc3cccc4c3cccc4; C[NH+](C)C1=C2SC[CH]
    (N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O; C[NH
    +](C)C1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3ccc
    c4c3cccc4; C[NH+](C)C1=C2SC[C@H](N2C(=O)
    C=C1Cc3cccc4ccccc34)C(O)=O    		 [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
    15498 BYL 2 C25 H29 Cl F2 N6 O2 InChI=1S/C25H29ClF2N6O2/c
    1-14-20(11-30-34(14)21-9-
    25(21,27)28)32-23-29-10-1
    6-7-18(26)17(8-19(16)31-2
    3)15-3-5-33(6-4-15)24(2)1
    3-36-12-22(24)35/h7-8,10-
    11,15,21-22,35H,3-6,9,12-
    13H2,1-2H3,(H,29,31,32)/t
    21-,22+,24-/m1/s1;
    VFCYOTBJVABSBY-AOHZBQACSA-N    		 Cc1n(ncc1Nc2ncc3cc(Cl)c(cc3n2)C4CCN(CC4)
    [C@]5(C)COC[C@@H]5O)[C@@H]6CC6(F)F; Cc1c
    (cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5
    CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl; Cc1n(nc
    c1Nc2ncc3cc(Cl)c(cc3n2)C4CCN(CC4)[C]5(C)
    COC[CH]5O)[CH]6CC6(F)F; Cc1c(cnn1C2CC2(F
    )F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)C6(COCC6O
    )C)Cl; OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3c
    nn(C4CC4(F)F)c3C)ncc2cc1Cl    		 (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
    15499 BYM
    CHEMBL1231533
    DB07503
    ZINC000033821235    		 1 C11 H5 F2 N O4 S InChI=1S/C11H5F2NO4S/c12-
    11(13)17-6-2-1-5(3-7(6)18
    -11)4-8-9(15)14-10(16)19-
    8/h1-4H,(H,14,15,16)/b8-4
    -;
    SRLVNYDXMUGOFI-YWEYNIOJSA-N    		 c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)
    F; FC1(F)Oc2ccc(cc2O1)C=C3SC(=O)NC3=O; F
    C1(F)Oc2ccc(cc2O1)/C=C/3SC(=O)NC/3=O; c1
    cc2c(cc1C=C3C(=O)NC(=O)S3)OC(O2)(F)F; O=
    C1C(\SC(=O)N1)=C\c3ccc2OC(F)(F)Oc2c3    		 (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
    15500 BYN 37 C22 H31 N4 O10 P InChI=1S/C22H31N4O10P/c1-
    9-5-11-16-15(10(9)2)22(3,
    4)6-14(29)26(16)17-19(23-
    21(32)24-20(17)31)25(11)7
    -12(27)18(30)13(28)8-36-3
    7(33,34)35/h5,12-14,18,27
    -30H,6-8H2,1-4H3,(H2,33,3
    4,35)(H2,23,24,31,32)/t12
    -,13+,14+,18-/m0/s1;
    BDNVCRCOZIAGID-LWGWVAHUSA-N    		 Cc1cc2c3c(c1C)C(CC(N3C4=C(N2CC(C(C(COP(=
    O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C; Cc1cc2N
    (C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=
    C(N4[CH](O)CC(C)(C)c(c1C)c24)C(=O)NC(=N3
    )O; Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@
    @H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(
    NC4=O)O)O)(C)C; Cc1cc2N(C[C@H](O)[C@H](O
    )[C@H](O)CO[P](O)(O)=O)C3=C(N4[C@H](O)CC
    (C)(C)c(c1C)c24)C(=O)NC(=N3)O    		 hydroxylated prenyl-FMN
    15501 BYO 3 C22 H25 N O2 InChI=1S/C22H25NO2/c1-14-
    7-6-10-17-12-11-15(2)22(1
    9(14)17)20(24)18(13-23-21
    (22)25)16-8-4-3-5-9-16/h3
    -5,8-9,11-15,17,19H,6-7,1
    0H2,1-2H3,(H,23,25)/t14-,
    15-,17+,19+,22+/m1/s1;
    BELTVPCRHYWOEN-VSGNJYCOSA-N    		 C[CH]1CCC[CH]2C=C[CH](C)[C]3([CH]12)C(=O
    )NC=C(C3=O)c4ccccc4; CC1CCCC2C1C3(C(C=C2
    )C)C(=O)C(=CNC3=O)c4ccccc4; C[C@@H]1CCC[
    C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(
    =CNC3=O)c4ccccc4; C[C@@H]1CCC[C@H]2C=C[C
    @@H](C)[C@@]3([C@@H]12)C(=O)NC=C(C3=O)c4
    ccccc4    		 (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione
    15502 BYP
    DB07504
    ZINC000000589075    		 1 C21 H24 Br N5 O2 InChI=1S/C21H24BrN5O2/c1-
    27(2)13-17(28)14-29-18-10
    -8-16(9-11-18)25-21-23-12
    -19(22)20(26-21)24-15-6-4
    -3-5-7-15/h3-12,17,28H,13
    -14H2,1-2H3,(H2,23,24,25,
    26)/t17-/m1/s1;
    MEIJADBULOETOV-QGZVFWFLSA-N    		 CN(C)C[C@@H](O)COc1ccc(Nc2ncc(Br)c(Nc3cc
    ccc3)n2)cc1; Brc1cnc(nc1Nc2ccccc2)Nc3ccc
    (OCC(O)CN(C)C)cc3; CN(C)CC(COc1ccc(cc1)N
    c2ncc(c(n2)Nc3ccccc3)Br)O; CN(C)C[CH](O)
    COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1; CN
    (C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccc
    cc3)Br)O    		 (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL
    15503 BYR
    CHEMBL3808609
    ZINC000006091875    		 0 C9 H10 Br N O3 InChI=1S/C9H10BrNO3/c10-6
    -3-5(1-2-8(6)12)4-7(11)9(
    13)14/h1-3,7,12H,4,11H2,(
    H,13,14)/t7-/m0/s1;
    HGWOSUKIFQMEIF-ZETCQYMHSA-N    		 c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O; N[CH](C
    c1ccc(O)c(Br)c1)C(O)=O; N[C@@H](Cc1ccc(O
    )c(Br)c1)C(O)=O; Brc1cc(ccc1O)CC(C(=O)O)
    N; c1cc(c(cc1CC(C(=O)O)N)Br)O    		 3-bromo-L-tyrosine
    15504 BYS
    CHEMBL1231535
    DB02450
    ZINC000012080868    		 2 C19 H18 O6 InChI=1S/C19H18O6/c20-18(
    21)14(8-12-4-2-1-3-5-12)1
    5(19(22)23)9-13-6-7-16-17
    (10-13)25-11-24-16/h1-7,1
    0,14-15H,8-9,11H2,(H,20,2
    1)(H,22,23)/t14-,15-/m0/s
    1;
    ASEJDWRSZYAIOT-GJZGRUSLSA-N    		 c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3
    )C(=O)O)C(=O)O; OC(=O)[CH](Cc1ccccc1)[CH
    ](Cc2ccc3OCOc3c2)C(O)=O; c1ccc(cc1)CC(C(
    Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O; OC(=O)[C
    @@H](Cc1ccccc1)[C@H](Cc2ccc3OCOc3c2)C(O)
    =O; O=C(O)C(Cc1ccccc1)C(C(=O)O)Cc2ccc3OC
    Oc3c2    		 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID
    15505 BYT
    ZINC000004096827    		 8 C16 H28 N4 O4 S InChI=1S/C16H28N4O4S/c17-
    10(15(22)23)5-3-4-8-18-13
    (21)7-2-1-6-12-14-11(9-25
    -12)19-16(24)20-14/h10-12
    ,14H,1-9,17H2,(H,18,21)(H
    ,22,23)(H2,19,20,24)/t10-
    ,11-,12-,14-/m0/s1;
    BAQMYDQNMFBZNA-MNXVOIDGSA-N    		 C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=
    O)N2; N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC
    (=O)N[CH]12)C(O)=O; N[C@@H](CCCCNC(=O)CC
    CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(O)=O;
    C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC
    [C@@H](C(=O)O)N)NC(=O)N2; O=C1NC2C(SCC2N
    1)CCCCC(=O)NCCCCC(C(=O)O)N    		 Biocytin;
    N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
    15506 BYU
    CHEMBL4744686    		 1 C27 H24 Cl2 N6 O3 InChI=1S/C27H24Cl2N6O3/c1
    -5-22(36)33-17-10-6-8-15(
    2)25(17)34-21-12-18(31-14
    -32-21)16-9-7-11-30-27(16
    )35-26-23(28)19(37-3)13-2
    0(38-4)24(26)29/h5-14H,1H
    2,2-4H3,(H,30,35)(H,33,36
    )(H,31,32,34);
    ZQYUWUUBHKOFPC-UHFFFAOYSA-N    		 COc1cc(OC)c(Cl)c(Nc2ncccc2c3cc(Nc4c(C)cc
    cc4NC(=O)C=C)ncn3)c1Cl; Cc1cccc(c1Nc2cc(
    ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(
    =O)C=C    		 N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide
    15507 BYV
    CHEMBL4086997    		 4 C19 H24 N4 InChI=1S/C19H24N4/c1-14-8
    -18(23-19(21)9-14)6-5-16-
    10-15(4-3-7-22-2)11-17(12
    -16)13-20/h8-12,22H,3-7H2
    ,1-2H3,(H2,21,23);
    ZTTVVSIEPMOZBM-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC; N#
    Cc1cc(CCCNC)cc(c1)CCc2nc(N)cc(c2)C; CNCC
    Cc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N    		 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
    15508 BYW 1 C18 H17 F3 N2 O4 InChI=1S/C18H17F3N2O4/c1-
    18(2,26)17(25)22-15(16(24
    )23-27)10-5-3-9(4-6-10)11
    -7-12(19)14(21)13(20)8-11
    /h3-8,15,26-27H,1-2H3,(H,
    22,25)(H,23,24)/t15-/m1/s
    1;
    GXJWGRVAVUCTET-OAHLLOKOSA-N    		 CC(C)(C(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)
    F)C(=O)NO)O; CC(C)(O)C(=O)N[C@@H](C(=O)N
    O)c1ccc(cc1)c2cc(F)c(F)c(F)c2; Fc1cc(cc(
    F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO
    ; CC(C)(O)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c
    2cc(F)c(F)c(F)c2; CC(C)(C(=O)N[C@H](c1cc
    c(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)O    		 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
    15509 BYX 0 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c13-9
    (11-15)5-7-1-2-8(4-3-7)6-
    10(14)12-16/h1-4,15-16H,5
    -6H2,(H,11,13)(H,12,14);
    BKDWYNGFJRBIJD-UHFFFAOYSA-N    		 O=C(NO)Cc1ccc(cc1)CC(NO)=O; ONC(=O)Cc1cc
    c(CC(=O)NO)cc1; c1cc(ccc1CC(=O)NO)CC(=O)
    NO    		 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide)
    15510 BYY 4 C10 H16 N2 O3 Se InChI=1S/C10H16N2O3Se/c13
    -8(14)4-2-1-3-7-9-6(5-16-
    7)11-10(15)12-9/h6-7,9H,1
    -5H2,(H,13,14)(H2,11,12,1
    5)/t6-,7-,9-/m0/s1;
    HVUDXAKXEONARI-ZKWXMUAHSA-N    		 O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O; OC(=O)C
    CCC[C@@H]1[Se]C[C@@H]2NC(=O)N[C@H]12; C1
    C2C(C([Se]1)CCCCC(=O)O)NC(=O)N2; C1[C@H]
    2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2
    ; OC(=O)CCCC[CH]1[Se]C[CH]2NC(=O)N[CH]12    		 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid;
    selenobiotin
    15511 BYZ
    CHEMBL4440111
    ZINC000000967315    		 42 C3 H3 Br N2 InChI=1S/C3H3BrN2/c4-3-1-
    5-6-2-3/h1-2H,(H,5,6);
    WVGCPEDBFHEHEZ-UHFFFAOYSA-N    		 c1c(cn[nH]1)Br; Brc1c[nH]nc1; Brc1cnnc1 4-bromo-1H-pyrazole
    15512 BZ0
    ZINC000095920861    		 4 C18 H16 N4 O3 InChI=1S/C18H16N4O3/c19-1
    5-14(20-16(23)13-9-5-2-6-
    10-13)17(24)21-18(25)22(1
    5)11-12-7-3-1-4-8-12/h1-1
    0H,11,19H2,(H,20,23)(H,21
    ,24,25);
    DBKMVZKVOWRXSU-UHFFFAOYSA-N    		 O=C(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccc
    cc3; NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1C
    c3ccccc3; c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N
    C(=O)c3ccccc3)N    		 N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide
    15513 BZ1
    CHEMBL220491
    DB01194
    ZINC000003953037    		 4 C12 H21 N3 O5 S3 InChI=1S/C12H21N3O5S3/c1-
    3-14-10-8-15(5-4-6-20-2)2
    3(18,19)12-9(10)7-11(21-1
    2)22(13,16)17/h7,10,14H,3
    -6,8H2,1-2H3,(H2,13,16,17
    )/t10-/m0/s1;
    HCRKCZRJWPKOAR-JTQLQIEISA-N    		 CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CC
    COC; O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O
    )CCCOC)N; CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2
    )S(=O)(=O)N)CCCOC; CCN[CH]1CN(CCCOC)[S](
    =O)(=O)c2sc(cc12)[S](N)(=O)=O; CCN[C@H]1
    CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)
    =O    		 (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE;
    Brinzolamide
    15514 BZ2
    CHEMBL84095
    ZINC000000053963    		 9 C9 H6 O3 InChI=1S/C9H6O3/c10-9(11)
    8-5-6-3-1-2-4-7(6)12-8/h1
    -5H,(H,10,11);
    OFFSPAZVIVZPHU-UHFFFAOYSA-N    		 OC(=O)c1oc2ccccc2c1; O=C(O)c2oc1ccccc1c2
    ; c1ccc2c(c1)cc(o2)C(=O)O    		 1-benzofuran-2-carboxylic acid
    15515 BZ3
    CHEMBL280311
    ZINC000000158156    		 4 C9 H9 N O InChI=1S/C9H9NO/c1-11-8-2
    -3-9-7(6-8)4-5-10-9/h2-6,
    10H,1H3;
    DWAQDRSOVMLGRQ-UHFFFAOYSA-N    		 COc1ccc2[nH]ccc2c1; COc1ccc2c(c1)cc[nH]2
    ; O(c1cc2c(cc1)ncc2)C    		 5-methoxy-1H-indole
    15516 BZ4 1 C31 H25 Cl N6 O10 InChI=1S/C31H25ClN6O10/c3
    2-7-26-35-20(13-42-26)30(
    40)38(9-18-2-4-23-25(6-18
    )48-16-46-23)11-28-36-21(
    14-44-28)31(41)37(10-27-3
    4-19(12-43-27)29(33)39)8-
    17-1-3-22-24(5-17)47-15-4
    5-22/h1-6,12-14H,7-11,15-
    16H2,(H2,33,39);
    ZSCMZNFJKJBCQT-UHFFFAOYSA-N    		 NC(=O)c1coc(CN(Cc2ccc3OCOc3c2)C(=O)c4coc
    (CN(Cc5ccc6OCOc6c5)C(=O)c7coc(CCl)n7)n4)
    n1; c6(CN(Cc1nc(co1)C(N)=O)C(c5nc(CN(Cc2
    ccc3c(c2)OCO3)C(=O)c4nc(CCl)oc4)oc5)=O)c
    cc7c(c6)OCO7; c1cc2c(cc1CN(Cc3nc(co3)C(=
    O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(
    =O)c7coc(n7)CCl)OCO2    		 N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-N-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
    15517 BZ5
    ZINC000095920799    		 1 C16 H16 O6 S InChI=1S/C16H16O6S/c17-11
    -7-16(22,15(20)21)10(13(1
    8)14(11)19)6-8-1-2-12-9(5
    -8)3-4-23-12/h1-5,10-11,1
    4,17,19,22H,6-7H2,(H,20,2
    1)/t10-,11+,14-,16+/m0/s1;
    WFQJMZIPFQUOBR-FJXFWJLJSA-N    		 O[CH]1C[C](O)([CH](Cc2ccc3sccc3c2)C(=O)[
    CH]1O)C(O)=O; c1cc2c(ccs2)cc1CC3C(=O)C(C
    (CC3(C(=O)O)O)O)O; c1cc2c(ccs2)cc1C[C@H]
    3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O;
    O[C@@H]1C[C@@](O)([C@@H](Cc2ccc3sccc3c2
    )C(=O)[C@H]1O)C(O)=O; O=C(O)C1(O)CC(O)C(
    O)C(=O)C1Cc3cc2c(scc2)cc3    		 (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
    15518 BZ6
    CHEMBL4067262    		 1 C20 H18 N4 O InChI=1S/C20H18N4O/c1-25-
    19-9-7-16(8-10-19)20-17(1
    3-23-12-11-21-15-23)14-24
    (22-20)18-5-3-2-4-6-18/h2
    -12,14-15H,13H2,1H3;
    CZOCKHTYPCJURT-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4;
    COc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4    		 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
    15519 BZ7
    CHEMBL4564752    		 4 C32 H38 N4 O4 InChI=1S/C32H38N4O4/c1-32
    (2,3)36-29(38)22-27(35-28
    (37)18-17-23-11-6-4-7-12-
    23)31(40)34-20-19-33-30(3
    9)26-16-10-15-25(21-26)24
    -13-8-5-9-14-24/h4-16,21,
    27H,17-20,22H2,1-3H3,(H,3
    3,39)(H,34,40)(H,35,37)(H
    ,36,38)/t27-/m0/s1;
    ZMFRLEFFYGXGES-MHZLTWQESA-N    		 CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cc
    cc(c1)c2ccccc2)NC(=O)CCc3ccccc3; CC(C)(C
    )NC(=O)C[CH](NC(=O)CCc1ccccc1)C(=O)NCCNC
    (=O)c2cccc(c2)c3ccccc3; N(C(CC(NC(C)(C)C
    )=O)C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)C(C
    Cc3ccccc3)=O; CC(C)(C)NC(=O)C[C@H](NC(=O
    )CCc1ccccc1)C(=O)NCCNC(=O)c2cccc(c2)c3cc
    ccc3; CC(C)(C)NC(=O)CC(C(=O)NCCNC(=O)c1c
    ccc(c1)c2ccccc2)NC(=O)CCc3ccccc3    		 N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide;
    PKS21004
    15520 BZ8
    CHEMBL517583
    ZINC000040392358    		 1 C16 H13 Cl N2 O3 S InChI=1S/C16H13ClN2O3S/c1
    -2-22-10-5-3-9(4-6-10)16-
    15(18-19-23-16)11-7-12(17
    )14(21)8-13(11)20/h3-8,20
    -21H,2H2,1H3;
    RFRZSMIYYCXYNL-UHFFFAOYSA-N    		 CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl;
    CCOc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O; Cl
    c3c(O)cc(O)c(c1nnsc1c2ccc(OCC)cc2)c3    		 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL
    15521 BZ9
    CHEMBL458023
    ZINC000039115026    		 1 C28 H23 N7 O InChI=1S/C28H23N7O/c1-17-
    16-24(35-28-33-22-11-5-6-
    12-23(22)34-28)18-8-3-4-9
    -19(18)25(17)36-26-20(10-
    7-14-30-26)21-13-15-31-27
    (29-2)32-21/h3-16H,1-2H3,
    (H,29,31,32)(H2,33,34,35);
    JXKDTYDBDDKIPY-UHFFFAOYSA-N    		 CNc1nccc(n1)c2cccnc2Oc3c(C)cc(Nc4[nH]c5c
    cccc5n4)c6ccccc36; n1ccc(nc1NC)c6cccnc6O
    c3c2c(cccc2)c(cc3C)Nc5nc4ccccc4n5; Cc1cc
    (c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[n
    H]c6ccccc6n5    		 N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
    15522 BZA
    ZINC000033821236    		 0 C18 H16 O3 InChI=1S/C18H16O3/c19-16-
    9-15-13(17(20)18(16)21)6-
    5-12-7-10-3-1-2-4-11(10)8
    -14(12)15/h1-8,16-21H,9H2
    /t16-,17-,18-/m0/s1;
    XKOJNRIIGYARBJ-BZSNNMDCSA-N    		 c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)
    O)O)cc2c1; c1ccc2cc3c(ccc4c3CC(C(C4O)O)O
    )cc2c1; O[CH]1Cc2c(ccc3cc4ccccc4cc23)[CH
    ](O)[CH]1O; O[C@H]1Cc2c(ccc3cc4ccccc4cc2
    3)[C@H](O)[C@H]1O; OC4c2c(c1cc3c(cc1cc2)
    cccc3)CC(O)C4O    		 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL
    15523 BZB
    CHEMBL34964
    DB04360
    ZINC000169743221    		 10 C8 H7 B O2 S InChI=1S/C8H7BO2S/c10-9(1
    1)8-5-6-3-1-2-4-7(6)12-8/
    h1-5,10-11H;
    YNCYPMUJDDXIRH-UHFFFAOYSA-N    		 B(c1cc2ccccc2s1)(O)O; OB(O)c1sc2ccccc2c1
    ; OB(O)c2sc1ccccc1c2    		 BENZO[B]THIOPHENE-2-BORONIC ACID
    15524 BZC
    CHEMBL134022
    DB04010
    ZINC000011565446    		 1 C15 H13 N3 O2 InChI=1S/C15H13N3O2/c1-20
    -10-5-2-4-9(8-10)15-17-12
    -7-3-6-11(14(16)19)13(12)
    18-15/h2-8H,1H3,(H2,16,19
    )(H,17,18);
    NVVWVYYHTKCIAE-UHFFFAOYSA-N    		 COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N; CO
    c1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2; O=C(
    c3cccc1c3nc(n1)c2cccc(OC)c2)N    		 2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE
    15525 BZD
    CHEMBL489799
    DB04295
    ZINC000006578607    		 6 C14 H18 N2 O7 InChI=1S/C14H18N2O7/c17-6
    -8-9(18)10(19)11(20)13(23
    -8)16-14(22)15-12(21)7-4-
    2-1-3-5-7/h1-5,8-11,13,17
    -20H,6H2,(H2,15,16,21,22)
    /t8-,9-,10+,11-,13-/m1/s1;
    JSBCZGSPFATCOV-BZNQNGANSA-N    		 OC[CH]1O[CH](NC(=O)NC(=O)c2ccccc2)[CH](O
    )[CH](O)[CH]1O; OC[C@H]1O[C@@H](NC(=O)NC
    (=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O;
    O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccccc2;
    c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O)O)O; c1ccc(cc1)C(
    =O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O    		 N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine;
    N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA;
    N-[(phenylcarbonyl)carbamoyl]-beta-D-glucosylamine;
    N-[(phenylcarbonyl)carbamoyl]-D-glucosylamine;
    N-[(phenylcarbonyl)carbamoyl]-glucosylamine
    15526 BZE
    CHEMBL337319
    ZINC000004428660    		 6 C9 H9 N5 InChI=1S/C9H9N5/c10-8-12-
    7(13-9(11)14-8)6-4-2-1-3-
    5-6/h1-5H,(H4,10,11,12,13
    ,14);
    GZVHEAJQGPRDLQ-UHFFFAOYSA-N    		 c1ccc(cc1)c2nc(nc(n2)N)N; Nc1nc(N)nc(n1)
    c2ccccc2; n1c(nc(nc1c2ccccc2)N)N    		 6-phenyl-1,3,5-triazine-2,4-diamine;
    BENZOGUANAMINE
    15527 BZF
    CHEMBL363614
    DB04179
    ZINC000001591814    		 1 C8 H6 O InChI=1S/C8H6O/c1-2-4-8-7
    (3-1)5-6-9-8/h1-6H;
    IANQTJSKSUMEQM-UHFFFAOYSA-N    		 o1ccc2ccccc12; c1ccc2c(c1)cco2; o2c1cccc
    c1cc2    		 BENZOFURAN
    15528 BZG
    ZINC000058638684    		 0 C17 H20 N5 O7 P InChI=1S/C17H20N5O7P/c18-
    17-20-15-14(16(21-17)27-7
    -10-4-2-1-3-5-10)19-9-22(
    15)13-6-11(23)12(29-13)8-
    28-30(24,25)26/h1-5,9,11-
    13,23H,6-8H2,(H2,18,20,21
    )(H2,24,25,26)/t11-,12+,1
    3+/m0/s1;
    QWBOXDSUUMFHFW-YNEHKIRRSA-N    		 c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)C4CC(C(O
    4)COP(=O)(O)O)O; c1ccc(cc1)COc2c3c(nc(n2
    )N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(
    O)O)O; Nc1nc(OCc2ccccc2)c3ncn([CH]4C[CH]
    (O)[CH](CO[P](O)(O)=O)O4)c3n1; Nc1nc(OCc
    2ccccc2)c3ncn([C@H]4C[C@H](O)[C@@H](CO[P
    ](O)(O)=O)O4)c3n1; O=P(O)(O)OCC4OC(n3cnc
    2c3nc(nc2OCc1ccccc1)N)CC4O    		 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE;
    O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
    15529 BZH
    ZINC000058626692    		 10 C12 H14 N4 O3 InChI=1S/C12H14N4O3/c13-1
    2-15-8-5-4-7(6-9(8)16-12)
    14-10(17)2-1-3-11(18)19/h
    4-6H,1-3H2,(H,14,17)(H,18
    ,19)(H3,13,15,16);
    KYOKAWLLGVBQKM-UHFFFAOYSA-N    		 c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N; Nc
    1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1; O=C(O)
    CCCC(=O)Nc2cc1c(nc(n1)N)cc2    		 5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID
    15530 BZI
    CHEMBL306226
    DB02962
    ZINC000000331902    		 32 C7 H6 N2 InChI=1S/C7H6N2/c1-2-4-7-
    6(3-1)8-5-9-7/h1-5H,(H,8,
    9);
    HYZJCKYKOHLVJF-UHFFFAOYSA-N    		 n2c1ccccc1nc2; c1ccc2c(c1)[nH]cn2; [nH]1
    cnc2ccccc12    		 BENZIMIDAZOLE
    15531 BZJ
    CHEMBL229301
    ZINC000000037857    		 23 C11 H8 O3 InChI=1S/C11H8O3/c12-10-6
    -8-4-2-1-3-7(8)5-9(10)11(
    13)14/h1-6,12H,(H,13,14);
    ALKYHXVLJMQRLQ-UHFFFAOYSA-N    		 c1ccc2cc(c(cc2c1)C(=O)O)O; C(c1c(cc2c(c1
    )cccc2)O)(O)=O; OC(=O)c1cc2ccccc2cc1O    		 3-hydroxynaphthalene-2-carboxylic acid
    15532 BZK 0 C11 H21 N O4 InChI=1S/C11H21NO4/c1-3-8
    (13)6-9(14)4-7(2)5-10(12)
    11(15)16/h7,9-10,14H,3-6,
    12H2,1-2H3,(H,15,16)/t7-,
    9+,10+/m1/s1;
    HJQMYHUTXHUJNS-JEZHCXPESA-N    		 CCC(=O)CC(CC(C)CC(C(=O)O)N)O; CCC(=O)C[C
    @H](C[C@@H](C)C[C@@H](C(=O)O)N)O; CCC(=O
    )C[C@@H](O)C[C@@H](C)C[C@H](N)C(O)=O; CC
    C(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O    		 (2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
    15533 BZM
    CHEMBL1239
    DB00676
    ZINC000000001021    		 6 C14 H12 O2 InChI=1S/C14H12O2/c15-14(
    13-9-5-2-6-10-13)16-11-12
    -7-3-1-4-8-12/h1-10H,11H2;
    SESFRYSPDFLNCH-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)c2ccccc2; O=C(OCc1ccccc
    1)c2ccccc2    		 BENZOIC ACID PHENYLMETHYLESTER
    15534 BZN
    DB07505
    ZINC000053683066    		 2 C23 H32 N2 O3 S InChI=1S/C23H32N2O3S/c1-1
    9(2)15-25(29(26,27)23-11-
    7-4-8-12-23)16-21-13-24-1
    4-22(21)18-28-17-20-9-5-3
    -6-10-20/h3-12,19,21-22,2
    4H,13-18H2,1-2H3/t21-,22-
    /m1/s1;
    DGURGFSAQIBQCO-FGZHOGPDSA-N    		 CC(C)CN(CC1CNCC1COCc2ccccc2)S(=O)(=O)c3c
    cccc3; CC(C)CN(C[CH]1CNC[CH]1COCc2ccccc2
    )[S](=O)(=O)c3ccccc3; CC(C)CN(C[C@H]1CNC
    [C@@H]1COCc2ccccc2)[S](=O)(=O)c3ccccc3;
    O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2c
    cccc2; CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccc
    cc2)S(=O)(=O)c3ccccc3    		 N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide;
    N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide
    15535 BZO 0 C8 H8 O2 InChI=1/C8H8O2/c9-7-10-6-
    8-4-2-1-3-5-8/h1-5,7H,6H2;
    UYWQUFXKFGHYNT-UHFFFAOYAZ    		 c1ccc(cc1)COC=O; O=COCc1ccccc1 CARBOBENZOXY GROUP
    15536 BZP
    ZINC000031418302    		 2 C5 H10 N2 O2 InChI=1S/C5H10N2O2/c8-5(9
    )7-3-1-6-2-4-7/h6H,1-4H2,
    (H,8,9);
    RFIOZSIHFNEKFF-UHFFFAOYSA-N    		 C1CN(CCN1)C(=O)O; OC(=O)N1CCNCC1; O=C(O)
    N1CCNCC1    		 N1-CARBOXYPIPERAZINE
    15537 BZQ
    CHEMBL90039
    DB01878
    ZINC000000968233    		 3 C13 H10 O InChI=1S/C13H10O/c14-13(1
    1-7-3-1-4-8-11)12-9-5-2-6
    -10-12/h1-10H;
    RWCCWEUUXYIKHB-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)c2ccccc2; O=C(c1ccccc1)c2
    ccccc2    		 DIPHENYLMETHANONE;
    BENZENE, BENZOYL-;
    BENZOPHENONE (8CI);
    BENZOYLBENZENE;
    DIPHENYL KETONE;
    KETONE, DIPHENYL;
    METHANONE, DIPHENYL- (9CI);
    PHENYL KETONE;
    WLN: RVR
    15538 BZR 0 C18 H16 O3 InChI=1S/C18H16O3/c19-16-
    9-15-13(17(20)18(16)21)6-
    5-12-7-10-3-1-2-4-11(10)8
    -14(12)15/h1-8,16-21H,9H2
    /t16-,17-,18-/m1/s1;
    XKOJNRIIGYARBJ-KZNAEPCWSA-N    		 c1ccc2cc3c(ccc4c3CC(C(C4O)O)O)cc2c1; O[C
    H]1Cc2c(ccc3cc4ccccc4cc23)[CH](O)[CH]1O;
    O[C@@H]1Cc2c(ccc3cc4ccccc4cc23)[C@@H](O
    )[C@@H]1O; c1ccc2cc3c(ccc4c3C[C@H]([C@H]
    ([C@@H]4O)O)O)cc2c1; OC4c2c(c1cc3c(cc1cc
    2)cccc3)CC(O)C4O    		 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL
    15539 BZS
    CHEMBL259621
    DB07506
    ZINC000000291743    		 6 C11 H12 O4 InChI=1S/C11H12O4/c12-10(
    13)7-9(11(14)15)6-8-4-2-1
    -3-5-8/h1-5,9H,6-7H2,(H,1
    2,13)(H,14,15)/t9-/m1/s1;
    GTOFKXZQQDSVFH-SECBINFHSA-N    		 OC(=O)C[C@@H](Cc1ccccc1)C(O)=O; c1ccc(cc
    1)C[C@H](CC(=O)O)C(=O)O; O=C(O)CC(C(=O)O
    )Cc1ccccc1; c1ccc(cc1)CC(CC(=O)O)C(=O)O;
    OC(=O)C[CH](Cc1ccccc1)C(O)=O    		 L-BENZYLSUCCINIC ACID
    15540 BZT
    CHEMBL275206
    ZINC000003834110    		 1 C32 H35 Br N2 O2 S InChI=1S/C32H35BrN2O2S/c3
    3-30-20-23(5-6-25(30)22-3
    5-15-3-4-16-35)19-29-28-1
    2-9-26(36)21-31(28)38-32(
    29)24-7-10-27(11-8-24)37-
    18-17-34-13-1-2-14-34/h5-
    12,20-21,36H,1-4,13-19,22
    H2;
    QVDZMCVSIVITGR-UHFFFAOYSA-N    		 Oc1ccc2c(Cc3ccc(CN4CCCC4)c(Br)c3)c(sc2c1
    )c5ccc(OCCN6CCCC6)cc5; c1cc(ccc1c2c(c3cc
    c(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6C
    CCC6; Brc1c(ccc(c1)Cc2c5ccc(O)cc5sc2c4cc
    c(OCCN3CCCC3)cc4)CN6CCCC6    		 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL
    15541 BZU
    ZINC000008577174    		 1 C12 H21 N3 O5 S3 InChI=1S/C12H21N3O5S3/c1-
    3-14-10-8-15(5-6-20-4-2)2
    3(18,19)12-9(10)7-11(21-1
    2)22(13,16)17/h7,10,14H,3
    -6,8H2,1-2H3,(H2,13,16,17
    )/t10-/m0/s1;
    BHFKHYVXDQDFSR-JTQLQIEISA-N    		 CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(
    =O)N)CCOCC; O=S(=O)(c1sc2c(c1)C(NCC)CN(C
    COCC)S2(=O)=O)N; CCNC1CN(S(=O)(=O)c2c1cc
    (s2)S(=O)(=O)N)CCOCC; CCN[CH]1CN(CCOCC)[
    S](=O)(=O)c2sc(cc12)[S](N)(=O)=O; CCN[C@
    H]1CN(CCOCC)[S](=O)(=O)c2sc(cc12)[S](N)(
    =O)=O    		 (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
    15542 BZV
    CHEMBL1173620
    ZINC000006920380    		 1 C24 H48 O2 InChI=1S/C24H48O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-20-21-22
    -23-24(25)26/h2-23H2,1H3,
    (H,25,26);
    QZZGJDVWLFXDLK-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCC(O)=O; CCCCCCCCC
    CCCCCCCCCCCCCCC(=O)O    		 tetracosanoic acid;
    lignoceric acid
    15543 BZW
    CHEMBL4166970    		 2 C20 H23 N3 O4 S InChI=1S/C20H23N3O4S/c1-1
    5(24)23-12-11-22(14-18(23
    )13-16-5-3-2-4-6-16)20(25
    )17-7-9-19(10-8-17)28(21,
    26)27/h2-10,18H,11-14H2,1
    H3,(H2,21,26,27)/t18-/m0/
    s1;
    YHSOVHWCSACWJK-SFHVURJKSA-N    		 CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc
    (cc3)S(=O)(=O)N; CC(=O)N1CCN(C[CH]1Cc2cc
    ccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O; CC(=O)
    N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)[
    S](N)(=O)=O; CC(=O)N1CCN(CC1Cc2ccccc2)C(
    =O)c3ccc(cc3)S(=O)(=O)N    		 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
    15544 BZX
    CHEMBL1517998
    ZINC000000164504    		 10 C7 H6 O3 InChI=1S/C7H6O3/c8-5-1-2-
    6-7(3-5)10-4-9-6/h1-3,8H,
    4H2;
    LUSZGTFNYDARNI-UHFFFAOYSA-N    		 c1cc2c(cc1O)OCO2; Oc1ccc2OCOc2c1; O1c2cc
    c(O)cc2OC1    		 1,3-benzodioxol-5-ol
    15545 BZY
    ZINC000263620480    		 1 C21 H27 N5 O3 InChI=1S/C21H27N5O3/c1-13
    (20(28)25-12-15-2-7-16(8-
    3-15)19(23)24)26-21(29)18
    (22)11-6-14-4-9-17(27)10-
    5-14/h2-5,7-10,13,18,27H,
    6,11-12,22H2,1H3,(H3,23,2
    4)(H,25,28)(H,26,29)/t13-
    ,18+/m0/s1;
    GVEMEQSTGJKMAX-SCLBCKFNSA-N    		 [H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)
    [C@@H](CCc2ccc(cc2)O)N)/N; C[C@H](NC(=O)
    [C@H](N)CCc1ccc(O)cc1)C(=O)NCc2ccc(cc2)C
    (N)=N; O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=
    O)C(N)CCc2ccc(O)cc2)C; CC(C(=O)NCc1ccc(c
    c1)C(=N)N)NC(=O)C(CCc2ccc(cc2)O)N; C[CH]
    (NC(=O)[CH](N)CCc1ccc(O)cc1)C(=O)NCc2ccc
    (cc2)C(N)=N    		 (2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide
    15546 BZZ
    CHEMBL1231544
    ZINC000019166973    		 0 C7 H10 N2 InChI=1S/C7H10N2/c8-9-6-7
    -4-2-1-3-5-7/h1-5,9H,6,8H
    2;
    NHOWLEZFTHYCTP-UHFFFAOYSA-N    		 c1ccc(cc1)CNN; NNCc1ccccc1 BENZYLHYDRAZINE
    15547 C
    CHEMBL307679
    DB03403
    ZINC000003861744    		 148 C9 H14 N3 O8 P InChI=1S/C9H14N3O8P/c10-5
    -1-2-12(9(15)11-5)8-7(14)
    6(13)4(20-8)3-19-21(16,17
    )18/h1-2,4,6-8,13-14H,3H2
    ,(H2,10,11,15)(H2,16,17,1
    8)/t4-,6-,7-,8-/m1/s1;
    IERHLVCPSMICTF-XVFCMESISA-N    		 NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=
    O)[CH](O)[CH]2O; C1=CN(C(=O)N=C1N)C2C(C(
    C(O2)COP(=O)(O)O)O)O; NC1=NC(=O)N(C=C1)[
    C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H
    ]2O; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H
    ]([C@H](O2)COP(=O)(O)O)O)O; O=C1N=C(N)C=
    CN1C2OC(C(O)C2O)COP(=O)(O)O    		 CYTIDINE-5'-MONOPHOSPHATE
    15548 C00
    CHEMBL1231545
    DB07507
    ZINC000039047310    		 2 C21 H15 N O3 InChI=1S/C21H15NO3/c1-13-
    6-5-9-16-19(13)21(25)22(2
    0(16)24)17-12-15(10-11-18
    (17)23)14-7-3-2-4-8-14/h2
    -12,23H,1H3;
    ROMNEYAQUBNRLR-UHFFFAOYSA-N    		 O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)
    C; Cc1cccc2C(=O)N(C(=O)c12)c3cc(ccc3O)c4
    ccccc4; Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O
    )c4ccccc4    		 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
    15549 C01 1 C25 H30 N O5 InChI=1S/C25H31NO5/c1-6-8
    -18-14-20-23(31-26(5)24(2
    0)27)19(9-7-2)21(18)30-22
    (25(28)29)17-12-10-16(11-
    13-17)15(3)4/h10-15,22H,6
    -9H2,1-5H3,(H,28,29)/p-1/
    t22-/m0/s1;
    RYNHNIDEKCRWHJ-QFIPXVFZSA-M    		 CCCc1cc2C(=O)N(C)Oc2c(CCC)c1O[C@H](C([O-
    ])=O)c3ccc(cc3)C(C)C; [O-]C(=O)C(Oc2c(cc
    1c(ON(C1=O)C)c2CCC)CCC)c3ccc(cc3)C(C)C;
    CCCc1cc2C(=O)N(C)Oc2c(CCC)c1O[CH](C([O-]
    )=O)c3ccc(cc3)C(C)C; CCCc1cc2c(c(c1O[C@@
    H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O
    )C; CCCc1cc2c(c(c1OC(c3ccc(cc3)C(C)C)C(=
    O)[O-])CCC)ON(C2=O)C    		 (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE;
    ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST
    15550 C02
    CHEMBL46780
    DB07508
    ZINC000002043397    		 1 C22 H21 N5 O2 S InChI=1S/C22H21N5O2S/c1-2
    7-20-12-11-17(26-30(28,29
    )18-5-3-2-4-6-18)14-19(20
    )25-21(27)13-15-7-9-16(10
    -8-15)22(23)24/h2-12,14,2
    6H,13H2,1H3,(H3,23,24);
    MEUAVGJWGDPTLF-UHFFFAOYSA-N    		 O=S(=O)(c1ccccc1)Nc4ccc2c(nc(n2C)Cc3ccc(
    C(=[N@H])N)cc3)c4; Cn1c2ccc(cc2nc1Cc3ccc
    (cc3)C(=N)N)NS(=O)(=O)c4ccccc4; Cn1c(Cc2
    ccc(cc2)C(N)=N)nc3cc(N[S](=O)(=O)c4ccccc
    4)ccc13    		 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
    15551 C03
    ZINC000003942601    		 2 C28 H22 Cl F3 N2 O6 InChI=1S/C28H22ClF3N2O6/c
    1-14-25(26-21-8-4-17(37-3
    )12-24(21)40-33-26)20-7-5
    -19(39-28(30,31)32)11-23(
    20)34(14)13-16-10-18(6-9-
    22(16)29)38-15(2)27(35)36
    /h4-12,15H,13H2,1-3H3,(H,
    35,36)/t15-/m1/s1;
    SCDKVHCGNOYKFK-OAHLLOKOSA-N    		 Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)OC(C)C(=O)O
    )OC(F)(F)F)c4c5ccc(cc5on4)OC; O=C(O)C(Oc
    1cc(c(Cl)cc1)Cn5c2cc(OC(F)(F)F)ccc2c(c4n
    oc3cc(OC)ccc34)c5C)C; COc1ccc2c(onc2c3c(
    C)n(Cc4cc(O[C@H](C)C(O)=O)ccc4Cl)c5cc(OC
    (F)(F)F)ccc35)c1; Cc1c(c2ccc(cc2n1Cc3cc(
    ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc
    (cc5on4)OC; COc1ccc2c(onc2c3c(C)n(Cc4cc(
    O[CH](C)C(O)=O)ccc4Cl)c5cc(OC(F)(F)F)ccc
    35)c1    		 (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID
    15552 C04
    CHEMBL1541
    DB00671
    ZINC000004468778    		 2 C16 H15 N5 O7 S2 InChI=1S/C16H15N5O7S2/c1-
    2-6-4-29-14-10(13(25)21(1
    4)11(6)15(26)27)19-12(24)
    9(20-28-3-8(22)23)7-5-30-
    16(17)18-7/h2,5,10,14H,1,
    3-4H2,(H2,17,18)(H,19,24)
    (H,22,23)(H,26,27)/b20-9-
    /t10-,14-/m1/s1;
    OKBVVJOGVLARMR-QSWIMTSFSA-N    		 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N
    \OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O; Nc1scc
    (n1)C(=NOCC(O)=O)C(=O)N[CH]2[CH]3SCC(=C(
    N3C2=O)C(O)=O)C=C; Nc1scc(n1)C(=N/OCC(O)
    =O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)
    =O)C=C; C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC
    (=O)O)c3csc(n3)N)SC1)C(=O)O; O=C(O)CO\N=
    C(\c1nc(sc1)N)C(=O)NC3C(=O)N2C(=C(\C=C)C
    SC23)C(=O)O    		 (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
    Cefixime
    15553 C05
    ZINC000008389073    		 2 C14 H19 N5 O2 S InChI=1S/C14H19N5O2S/c1-1
    0(13(20)15-9-12-7-4-8-21-
    12)22-14-16-17-18-19(14)1
    1-5-2-3-6-11/h4,7-8,10-11
    H,2-3,5-6,9H2,1H3,(H,15,2
    0)/t10-/m1/s1;
    ADSMFFQFDVVTMR-SNVBAGLBSA-N    		 C[CH](Sc1nnnn1C2CCCC2)C(=O)NCc3occc3; CC
    (C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3; C[C@H](
    C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3; C[C@@H](
    Sc1nnnn1C2CCCC2)C(=O)NCc3occc3    		 (2~{R})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{N}-(furan-2-ylmethyl)propanamide
    15554 C06 3 C16 H25 N5 O15 P2 InChI=1S/C16H25N5O15P2/c1
    -4-7(22)9(24)11(26)15(33-
    4)35-38(30,31)36-37(28,29
    )32-2-5-8(23)10(25)14(34-
    5)21-3-18-6-12(21)19-16(1
    7)20-13(6)27/h3-5,7-11,14
    -15,22-26H,2H2,1H3,(H,28,
    29)(H,30,31)(H3,17,19,20,
    27)/t4-,5+,7+,8+,9+,10+,1
    1+,14-,15+/m1/s1;
    LQEBEXMHBLQMDB-STHOTVMKSA-N    		 CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(
    C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O; C[C@
    @H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O
    )(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H
    ](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O; C[CH
    ]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[C
    H]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[
    CH](O)[CH](O)[CH]1O; C[C@H]1O[C@@H](O[P]
    (O)(=O)O[P](O)(=O)OC[C@@H]2O[C@H]([C@@H]
    (O)[C@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](
    O)[C@@H](O)[C@H]1O    		 [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
    15555 C07
    CHEMBL2152704
    ZINC000095572373    		 1 C18 H18 N4 O2 InChI=1S/C18H18N4O2/c1-10
    -6-7-11(23)8-14(10)22-17-
    15(16(19)20-9-21-17)12-4-
    2-3-5-13(12)18(22)24/h6-9
    ,23H,2-5H2,1H3,(H2,19,20,
    21);
    ZQQZSFIPDUAFMC-UHFFFAOYSA-N    		 O=C2C4=C(c1c(ncnc1N2c3cc(O)ccc3C)N)CCCC4
    ; Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCC
    C4)O; Cc1ccc(O)cc1N2C(=O)C3=C(CCCC3)c4c(
    N)ncnc24    		 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one
    15556 C08
    DB07509
    ZINC000169748498    		 2 C22 H31 B F2 N2 O2 InChI=1S/C22H31BF2N2O2/c1
    -2-3-4-5-6-7-10-18-13-15-
    20-17-21-16-14-19(11-8-9-
    12-22(28)29)27(21)23(24,2
    5)26(18)20/h13-17H,2-12H2
    ,1H3,(H,28,29);
    JNKJCLYKBRBEKW-UHFFFAOYSA-N    		 F[B-]3(F)[N+]=1C(C=CC=1CCCCC(=O)O)=Cc2cc
    c(n23)CCCCCCCC; [B-]1(n2c(ccc2CCCCCCCC)C
    =C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F; CCCCCCC
    Cc1ccc2C=C3C=CC(=[N+]3[B-](F)(F)n12)CCCC
    C(O)=O    		 difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron;
    4,4-difluoro-5-octyl-4-bora-3a,4a-diaza-s-indacene-3-pentanoic acid
    15557 C09
    CHEMBL4081845
    ZINC000035855615    		 13 C13 H14 N4 O InChI=1S/C13H14N4O/c1-2-1
    8-7-10-16-11-8-5-3-4-6-9(
    8)15-13(14)12(11)17-10/h3
    -6H,2,7H2,1H3,(H2,14,15)(
    H,16,17);
    DEVCLHVFELRPIU-UHFFFAOYSA-N    		 CCOCc1[nH]c2c3ccccc3nc(c2n1)N; CCOCc1[nH
    ]c2c3ccccc3nc(N)c2n1; n3c1ccccc1c2c(nc(n
    2)COCC)c3N    		 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine;
    CL097
    15558 C0A
    ZINC000200599630    		 2 C12 H16 Br F2 N2 O6 P S InChI=1S/C12H16BrF2N2O6PS
    /c1-16-11(18)10(17-25(2,2
    2)23)6-7-3-4-8(9(13)5-7)1
    2(14,15)24(19,20)21/h3-5,
    10,17H,6H2,1-2H3,(H,16,18
    )(H2,19,20,21)/t10-/m0/s1;
    GNQQLTLSVIWPPQ-JTQLQIEISA-N    		 CNC(=O)[CH](Cc1ccc(c(Br)c1)C(F)(F)[P](O)
    (O)=O)N[S](C)(=O)=O; CNC(=O)[C@H](Cc1ccc
    (c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C; C
    NC(=O)[C@H](Cc1ccc(c(Br)c1)C(F)(F)[P](O)
    (O)=O)N[S](C)(=O)=O; Brc1cc(ccc1C(F)(F)P
    (=O)(O)O)CC(C(=O)NC)NS(=O)(=O)C; CNC(=O)
    C(Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)
    (=O)C    		 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide
    15559 C0C
    CHEMBL5219712    		 1 C26 H30 Cl N3 O3 InChI=1S/C26H30ClN3O3/c1-
    28-23(31)19-7-4-6-18(16-1
    9)17-29-24(32)22-8-5-15-3
    0(22)25(33)26(13-2-3-14-2
    6)20-9-11-21(27)12-10-20/
    h4,6-7,9-12,16,22H,2-3,5,
    8,13-15,17H2,1H3,(H,28,31
    )(H,29,32)/t22-/m1/s1;
    FKSCOWJURPRAGR-JOCHJYFZSA-N    		 O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(C
    CCC1)c1ccc(Cl)cc1; CNC(=O)c1cccc(c1)CNC(
    =O)[C@H]2CCCN2C(=O)C3(CCCC3)c4ccc(cc4)Cl
    ; CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C
    3(CCCC3)c4ccc(Cl)cc4)c1; CNC(=O)c1cccc(c
    1)CNC(=O)C2CCCN2C(=O)C3(CCCC3)c4ccc(cc4)
    Cl; CNC(=O)c1cccc(CNC(=O)[CH]2CCCN2C(=O)
    C3(CCCC3)c4ccc(Cl)cc4)c1    		 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
    15560 C0D 8 C14 H28 N2 O3 InChI=1S/C14H28N2O3/c1-5-
    6-7-9-15-11(17)8-10-16-13
    (19)12(18)14(2,3)4/h12,18
    H,5-10H2,1-4H3,(H,15,17)(
    H,16,19)/t12-/m0/s1;
    ZNKPIBQTIYRSDI-LBPRGKRZSA-N    		 CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C; CCCC
    CNC(=O)CCNC(=O)[C@H](O)C(C)(C)C; CCCCCNC
    (=O)CCNC(=O)C(C(C)(C)C)O; CCCCCNC(=O)CCN
    C(=O)[C@@H](C(C)(C)C)O; CC(C(O)C(=O)NCCC
    (=O)NCCCCC)(C)C    		 (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
    15561 C0E
    DB07510
    ZINC000058631354    		 1 C12 H8 F2 O4 InChI=1S/C12H8F2O4/c13-8-
    3-1-7(2-4-8)10(15)6-5-9(1
    4)11(16)12(17)18/h1-6,16H
    ,(H,17,18)/b6-5+,11-9-;
    CPZFGNOKCMJZFO-BTHQEHEQSA-N    		 O=C(c1ccc(F)cc1)\C=CC(/F)=C(/O)C(=O)O; c
    1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F; OC(=O
    )C(O)=C(F)C=CC(=O)c1ccc(F)cc1; OC(=O)\C(
    O)=C(\F)/C=C/C(=O)c1ccc(F)cc1    		 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
    15562 C0F 0 C12 H14 N4 O3 S InChI=1S/C12H14N4O3S/c13-
    7(10(14)17)3-6-1-2-15-8(4
    -6)11-16-9(5-20-11)12(18)
    19/h1-2,4,7,9H,3,5,13H2,(
    H2,14,17)(H,18,19)/t7-,9-
    /m0/s1;
    TXUPVLPPBPUFTK-CBAPKCEASA-N    		 c1cnc(cc1CC(C(=O)N)N)C2=NC(CS2)C(=O)O; N
    [C@@H](Cc1ccnc(c1)C2=N[C@@H](CS2)C(O)=O)
    C(N)=O; N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(
    O)=O)C(N)=O; c1cnc(cc1C[C@@H](C(=O)N)N)C
    2=N[C@@H](CS2)C(=O)O    		 (4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
    15563 C0G 8 C17 H24 N2 O5 InChI=1S/C17H24N2O5/c1-17
    (2,3)15(21)16(22)18-7-6-1
    4(20)19-9-11-4-5-12-13(8-
    11)24-10-23-12/h4-5,8,15,
    21H,6-7,9-10H2,1-3H3,(H,1
    8,22)(H,19,20)/t15-/m0/s1;
    CABNSQJZPOAZEV-HNNXBMFYSA-N    		 CC(C)(C)[CH](O)C(=O)NCCC(=O)NCc1ccc2OCOc
    2c1; CC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCc1c
    cc2OCOc2c1; CC(C)(C)C(C(=O)NCCC(=O)NCc1c
    cc2c(c1)OCO2)O; CC(C)(C)[C@H](C(=O)NCCC(
    =O)NCc1ccc2c(c1)OCO2)O; CC(C(O)C(=O)NCCC
    (=O)NCc2cc1OCOc1cc2)(C)C    		 (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide
    15564 C0H
    CHEMBL1721570
    ZINC000000089429    		 1 C9 H8 Cl N5 InChI=1S/C9H8ClN5/c10-6-3
    -1-2-4-7(6)14-9-13-5-12-8
    (11)15-9/h1-5H,(H3,11,12,
    13,14,15);
    KKDOZPQOEFYIRU-UHFFFAOYSA-N    		 Nc1ncnc(Nc2ccccc2Cl)n1; c1ccc(c(c1)Nc2nc
    nc(n2)N)Cl    		 ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
    15565 C0I 1 C40 H46 N6 O2 InChI=1S/C40H46N6O2/c47-3
    9(43-23-20-30-25-44-35-13
    -4-1-10-32(30)35)29-18-16
    -28(17-19-29)26-46-24-7-9
    -31(27-46)40(48)42-22-8-2
    1-41-38-33-11-2-5-14-36(3
    3)45-37-15-6-3-12-34(37)3
    8/h1-2,4-5,10-11,13-14,16
    -19,25,31,44H,3,6-9,12,15
    ,20-24,26-27H2,(H,41,45)(
    H,42,48)(H,43,47)/t31-/m0
    /s1;
    XQXLUAZIHQBRBM-HKBQPEDESA-N    		 O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(
    C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67;
    O=C(NCCCNc1c2CCCCc2nc3ccccc13)[C@H]4CCCN
    (C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67;
    c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccc(cc3)C
    N4CCC[C@@H](C4)C(=O)NCCCNc5c6ccccc6nc7c5
    CCCC7; c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccc
    (cc3)CN4CCCC(C4)C(=O)NCCCNc5c6ccccc6nc7c
    5CCCC7    		 (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
    15566 C0J
    ZINC000000139136    		 1 C14 H12 F N3 InChI=1S/C14H12FN3/c15-13
    -5-3-6-14(12(13)10-16)18-
    9-7-11-4-1-2-8-17-11/h1-6
    ,8,18H,7,9H2;
    YVRWCTBZWMJROU-UHFFFAOYSA-N    		 Fc1cccc(NCCc2ccccn2)c1C#N; c2(C#N)c(NCCc
    1ccccn1)cccc2F; c1ccnc(c1)CCNc2cccc(c2C#
    N)F    		 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
    15567 C0K
    ZINC000072116317    		 2 C11 H14 F2 N O5 P InChI=1S/C11H14F2NO5P/c1-
    14(16)11(15)5-4-10(20(17,
    18)19)7-2-3-8(12)9(13)6-7
    /h2-3,6,10,16H,4-5H2,1H3,
    (H2,17,18,19)/t10-/m0/s1;
    IZWIBRNXHRUNKD-JTQLQIEISA-N    		 CN(O)C(=O)CC[C@@H](c1ccc(F)c(F)c1)[P](O)
    (O)=O; Fc1ccc(cc1F)C(CCC(=O)N(O)C)P(=O)(
    O)O; CN(O)C(=O)CC[CH](c1ccc(F)c(F)c1)[P]
    (O)(O)=O; CN(C(=O)CCC(c1ccc(c(c1)F)F)P(=
    O)(O)O)O; CN(C(=O)CC[C@@H](c1ccc(c(c1)F)
    F)P(=O)(O)O)O    		 {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
    15568 C0L 4 C30 H41 N O7 InChI=1S/C30H41NO7/c1-7-8
    -9-12-21(3)24(32)17-15-20
    (2)14-16-23(5)28(34)27-25
    (33)19-26(38-29(27)35)22(
    4)13-10-11-18-31-30(36)37
    -6/h7-8,11-12,14,16,18-19
    ,22,24,32,34H,9-10,13,15,
    17H2,1-6H3,(H,31,36)/b8-7
    +,18-11+,20-14+,21-12+,23
    -16+,28-27?/t22-,24-/m1/s
    1;
    YSXWOFMOJMYBIO-GCBVVPFWSA-N    		 COC(=O)N\C=C\CC[C@@H](C)C1=CC(=O)/C(C(=O
    )O1)=C(O)/C(C)=C/C=C(C)/CC[C@@H](O)C(/C)
    =C/C/C=C/C; CC=CCC=C(C)C(CCC(=CC=C(C)C(=
    C1C(=O)C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C)O
    ; C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)
    /C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=
    O)OC)O)/C)O; CC=[C@H]C\C=C(/C)C(O)CCC(=[
    C@H]\C=C(/C)\C(O)=C1\C(=O)C=C(OC1=O)C(CC
    [C@H]=CNC(=O)OC)C)C; COC(=O)NC=CCC[CH](C
    )C1=CC(=O)C(C(=O)O1)=C(O)C(C)=CC=C(C)CC[
    CH](O)C(C)=CCC=CC    		 methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate;
    Corallopyronin A
    15569 C0M
    CHEMBL232599
    ZINC000016052262    		 1 C27 H28 N4 O2 S InChI=1S/C27H28N4O2S/c28-
    17-23-21-11-16-31(25(32)1
    2-15-30-13-4-1-5-14-30)18
    -24(21)34-27(23)29-26(33)
    22-10-6-8-19-7-2-3-9-20(1
    9)22/h2-3,6-10H,1,4-5,11-
    16,18H2,(H,29,33);
    PRZGSWGFNRYBIP-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)
    C(=O)CCN5CCCCC5)C#N; O=C(N4CCc1c(sc(c1C#
    N)NC(=O)c3c2ccccc2ccc3)C4)CCN5CCCCC5; O=
    C(CCN1CCCCC1)N2CCc3c(C2)sc(NC(=O)c4cccc5
    ccccc45)c3C#N    		 N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
    15570 C0N 3 C25 H25 N8 O5 S InChI=1S/C25H24N8O5S/c1-2
    -9-26-23(34)20-15-21(28-2
    2-14-19(30-31-22)16-3-4-1
    6)29-25(27-20)33-12-10-32
    (11-13-33)24(35)17-5-7-18
    (8-6-17)38-39(36)37/h1,5-
    8,14-16H,3-4,9-13H2,(H2-,
    26,27,28,29,30,31,34)/p+1;
    VFSFZYIOAHMZEA-UHFFFAOYSA-O    		 C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)C(=O)c3cc
    c(cc3)O[S+](=O)=O)Nc4cc([nH]n4)C5CC5; O=
    C(NCC#C)c1cc(Nc2cc([nH]n2)C3CC3)nc(n1)N4
    CCN(CC4)C(=O)c5ccc(O[S+](=O)=O)cc5    		 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide
    15571 C0O 0 C7 H12 N2 O4 InChI=1S/C7H12N2O4/c8-4(6
    (10)11)2-1-3-5(9)7(12)13/
    h1-2,4-5H,3,8-9H2,(H,10,1
    1)(H,12,13)/b2-1-/t4-,5+/
    m1/s1;
    PYWMQEZFWCITLG-SHXURVFISA-N    		 N[C@@H](C\C=C/[C@@H](N)C(O)=O)C(O)=O; N[
    CH](CC=C[CH](N)C(O)=O)C(O)=O; C(C=CC(C(=
    O)O)N)C(C(=O)O)N; C(/C=C\[C@H](C(=O)O)N)
    [C@@H](C(=O)O)N    		 (~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid
    15572 C0P
    CHEMBL1231550
    ZINC000043150961    		 1 C16 H17 Cl3 N4 O2 InChI=1S/C16H17Cl3N4O2/c1
    7-11-8-12(18)14(25-6-3-23
    -1-4-24-5-2-23)7-10(11)13
    -9-15(19)22-16(20)21-13/h
    7-9H,1-6H2,(H2,20,21,22);
    LOXMPVJOMICPAW-UHFFFAOYSA-N    		 Clc1nc(nc(c1)c3cc(OCCN2CCOCC2)c(Cl)cc3Cl
    )N; c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc
    (n3)N)Cl; Nc1nc(Cl)cc(n1)c2cc(OCCN3CCOCC
    3)c(Cl)cc2Cl    		 4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE
    15573 C0Q 1 C21 H25 Cl N6 O3 InChI=1S/C21H25ClN6O3/c1-
    27-18(29)3-2-13-8-14-9-17
    (19(13)27)31-7-6-30-12-15
    -10-23-4-5-28(15)21-24-11
    -16(22)20(25-14)26-21/h8-
    9,11,15,23H,2-7,10,12H2,1
    H3,(H,24,25,26)/t15-/m1/s
    1;
    HEBYPYJZLRAGKE-OAHLLOKOSA-N    		 CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N5CCNC[CH]5C
    OCCOc(c3)c12; CN1c2c(cc3cc2OCCOCC4CNCCN4
    c5ncc(c(n5)N3)Cl)CCC1=O; CN1c2c(cc3cc2OC
    COC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O;
    CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N5CCNC[C@@H]
    5COCCOc(c3)c12    		 anilinopyrimidine ligand
    15574 C0R
    CHEMBL110739
    DB04652
    ZINC000013513592    		 18 C21 H30 O4 InChI=1S/C21H30O4/c1-20-8
    -7-13(23)9-12(20)3-4-14-1
    5-5-6-16(18(25)11-22)21(1
    5,2)10-17(24)19(14)20/h9,
    14-17,19,22,24H,3-8,10-11
    H2,1-2H3/t14-,15-,16+,17-
    ,19+,20-,21-/m0/s1;
    OMFXVFTZEKFJBZ-HJTSIMOOSA-N    		 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](
    C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O; CC12C
    CC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O;
    C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C
    ]34C)[CH]1CC[CH]2C(=O)CO; O=C(CO)C3C2(CC
    (O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C; C[C@
    ]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C
    @]34C)[C@@H]1CC[C@@H]2C(=O)CO    		 CORTICOSTERONE;
    (11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
    15575 C0S
    CHEMBL4089505    		 2 C15 H11 F6 N3 O3 InChI=1S/C15H11F6N3O3/c16
    -14(17,18)12(15(19,20)21)
    26-13(25)24-6-9(7-24)11-2
    2-10(23-27-11)8-4-2-1-3-5
    -8/h1-5,9,12H,6-7H2;
    MQSOFDLFKHBDFY-UHFFFAOYSA-N    		 FC(F)(F)C(OC(=O)N1CC(C1)c2onc(n2)c3ccccc
    3)C(F)(F)F; c1ccc(cc1)c2nc(on2)C3CN(C3)C
    (=O)OC(C(F)(F)F)C(F)(F)F; N3(CC(c2nc(c1c
    cccc1)no2)C3)C(OC(C(F)(F)F)C(F)(F)F)=O    		 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
    15576 C0T 4 C24 H28 N2 O9 S3 InChI=1S/C24H28N2O9S3/c1-
    13-18(26-32)20(28)21(29)2
    2(34-13)35-16-8-6-4-5-7-1
    0-24(31)12-15(27)19(25-23
    (30)33-2)17(16)14(24)9-11
    -37-38-36-3/h4-5,9,13,16,
    18,20-22,26,28-29,31-32H,
    11-12H2,1-3H3,(H,25,30)/b
    5-4-,14-9+/t13-,16+,18-,2
    0+,21-,22+,24+/m1/s1;
    HIXBTEQHDWBCIJ-JZCXNSNGSA-N    		 COC(=O)NC1=C\2[C@@H](O[C@@H]3O[C@H](C)[C
    @@H](NO)[C@H](O)[C@H]3O)C#C\C=C/C#C[C@](
    O)(CC1=O)C\2=C/CSSSC; O=C(OC)NC3=C2\C(=C
    /CSSSC)C(O)(C#CC=CC#CC2OC1OC(C(NO)C(O)C1
    O)C)CC3=O; CC1C(C(C(C(O1)OC2C#CC=CC#CC3(
    CC(=O)C(=C2C3=CCSSSC)NC(=O)OC)O)O)O)NO;
    C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C
    @H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\
    CSSSC)NC(=O)OC)O)O)O)NO; COC(=O)NC1=C2[C
    H](O[CH]3O[CH](C)[CH](NO)[CH](O)[CH]3O)C
    #CC=CC#C[C](O)(CC1=O)C2=CCSSSC    		 Calicheamicin T0;
    methyl {(1R,4Z,8S,13E)-8-{[4,6-dideoxy-4-(hydroxyamino)-beta-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate
    15577 C0V
    ZINC000167822210    		 1 C14 H10 O4 InChI=1S/C14H10O4/c15-12(
    8-13(16)14(17)18)11-6-5-9
    -3-1-2-4-10(9)7-11/h1-8,1
    6H,(H,17,18)/b13-8-;
    MXSFSJCCMVMMQM-JYRVWZFOSA-N    		 c2cc1ccccc1cc2C([C@H]=C(C(O)=O)O)=O; OC(
    =O)C(O)=CC(=O)c1ccc2ccccc2c1; c1ccc2cc(c
    cc2c1)C(=O)/C=C(/C(=O)O)\O; c1ccc2cc(ccc
    2c1)C(=O)C=C(C(=O)O)O; OC(=O)\C(O)=C\C(=
    O)c1ccc2ccccc2c1    		 (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid
    15578 C0W
    CHEMBL4126927    		 1 C11 H8 O2 S2 InChI=1S/C11H8O2S2/c12-11
    (13)9(14)5-7-6-15-10-4-2-
    1-3-8(7)10/h1-6,14H,(H,12
    ,13)/b9-5-;
    RAMCKYVBVNEIFT-UITAMQMPSA-N    		 OC(=O)C(S)=Cc1csc2ccccc12; c1ccc2c(c1)c(
    cs2)C=C(C(=O)O)S; c1ccc2c(c1)c(cs2)/C=C(
    /C(=O)O)\S; OC(=O)\C(S)=C\c1csc2ccccc12    		 (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid
    15579 C0X 2 C20 H35 O7 P InChI=1S/C20H35O7P/c1-16(
    2)9-7-10-17(3)11-8-12-18(
    4)13-14-26-19(20(21)22)15
    -27-28(23,24-5)25-6/h9,11
    ,13,19H,7-8,10,12,14-15H2
    ,1-6H3,(H,21,22)/b17-11+,
    18-13+/t19-/m0/s1;
    SUINKCORNPNGEZ-JWRVAHHXSA-N    		 CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC
    )OC)C(=O)O)/C)/C)C; CO[P](=O)(OC)OC[C@H]
    (OC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O; C
    O[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C
    (C)C)C(O)=O; CC(=CCCC(=CCCC(=CCOC(COP(=O
    )(OC)OC)C(=O)O)C)C)C    		 (2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
    15580 C0Y
    CHEMBL1231552
    ZINC000058631417    		 1 C15 H21 N O3 InChI=1S/C15H21NO3/c1-15(
    2,3)12-10-11(4-5-13(12)17
    )14(18)16-6-8-19-9-7-16/h
    4-5,10,17H,6-9H2,1-3H3;
    KPZLYGXXDVGCGM-UHFFFAOYSA-N    		 O=C(c1ccc(O)c(c1)C(C)(C)C)N2CCOCC2; CC(C
    )(C)c1cc(ccc1O)C(=O)N2CCOCC2    		 (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE
    15581 C0Z
    CHEMBL1614872
    ZINC000035834641    		 1 C25 H26 Cl N3 O3 S InChI=1S/C25H26ClN3O3S/c1
    -28(2)24-10-5-18-14-20(7-
    9-22(18)24)29-12-11-23(25
    (29)30)27-33(31,32)21-8-4
    -16-13-19(26)6-3-17(16)15
    -21/h3-4,6-9,13-15,23-24,
    27H,5,10-12H2,1-2H3/t23-,
    24-/m0/s1;
    DBFTVRMJVISJEX-ZEQRLZLVSA-N    		 CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)
    NS(=O)(=O)c4ccc5cc(ccc5c4)Cl; CN(C)C1CCc
    2c1ccc(c2)N3CCC(C3=O)NS(=O)(=O)c4ccc5cc(
    ccc5c4)Cl; CN(C)[CH]1CCc2cc(ccc12)N3CC[C
    H](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O;
    CN(C)[C@H]1CCc2cc(ccc12)N3CC[C@H](N[S](=
    O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O    		 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE
    15582 C10
    ZINC000058631420    		 0 C22 H46 O7 InChI=1S/C22H46O7/c1-2-3-
    4-5-6-7-8-9-11-24-13-15-2
    6-17-19-28-21-22-29-20-18
    -27-16-14-25-12-10-23/h23
    H,2-22H2,1H3;
    GLGQRQQFWLTGES-UHFFFAOYSA-N    		 O(CCOCCCCCCCCCC)CCOCCOCCOCCOCCO; CCCCCCC
    CCCOCCOCCOCCOCCOCCOCCO    		 HEXAETHYLENE GLYCOL MONODECYL ETHER
    15583 C11
    DB02457
    ZINC000014880356    		 4 C15 H33 O2 P InChI=1S/C15H33O2P/c1-3-5
    -7-8-9-10-11-12-13-15-18(
    16)17-14-6-4-2/h18H,3-15H
    2,1-2H3;
    QCBLJDSWVGAXQB-UHFFFAOYSA-N    		 CCCCCCCCCCC[PH](=O)OCCCC; CCCCCCCCCCCP(=
    O)OCCCC; CCCCCCCCCCC[P@H](=O)OCCCC; O=P(
    OCCCC)CCCCCCCCCCC    		 UNDECYL-PHOSPHINIC ACID BUTYL ESTER
    15584 C12 0 C15 H18 N3 O5 InChI=1S/C15H19N3O5/c1-8(
    19)13(16)14-17-11(15(23)1
    8(14)7-12(21)22)6-9-2-4-1
    0(20)5-3-9/h2-5,8,13,19-2
    0,23H,6-7,16H2,1H3,(H,21,
    22)/p-1/t8-,13+/m1/s1;
    ZZDUPPDIGFNMHM-OQPBUACISA-M    		 C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2c
    cc(cc2)O)N)O; CC(C(c1nc(c(n1CC(=O)O)[O-]
    )Cc2ccc(cc2)O)N)O; C[CH](O)[CH](N)c1nc(C
    c2ccc(O)cc2)c([O-])n1CC(O)=O; C[C@@H](O)
    [C@H](N)c1nc(Cc2ccc(O)cc2)c([O-])n1CC(O)
    =O; [O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O
    )cc2    		 2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE;
    PEPTIDE DERIVED CHROMOPHORE
    15585 C13
    CHEMBL2159512
    ZINC000095572027    		 1 C17 H19 Cl2 N3 O InChI=1S/C17H19Cl2N3O/c18
    -14-9-13(10-15(19)11-14)1
    2-20-7-4-8-21-17(23)22-16
    -5-2-1-3-6-16/h1-3,5-6,9-
    11,20H,4,7-8,12H2,(H2,21,
    22,23);
    FFIHIYODYIKHMJ-UHFFFAOYSA-N    		 Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2; Cl
    c1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1; c1cc
    c(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl    		 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea
    15586 C14
    CHEMBL135488
    ZINC000001698519    		 0 C14 H30 InChI=1S/C14H30/c1-3-5-7-
    9-11-13-14-12-10-8-6-4-2/
    h3-14H2,1-2H3;
    BGHCVCJVXZWKCC-UHFFFAOYSA-N    		 CCCCCCCCCCCCCC; C(CCCCC)CCCCCCCC TETRADECANE
    15587 C15
    DB02643
    ZINC000014880434    		 44 C17 H38 N O3 S InChI=1S/C17H37NO3S/c1-4-
    5-6-7-8-9-10-11-12-13-15-
    18(2,3)16-14-17-22(19,20)
    21/h4-17H2,1-3H3/p+1;
    IZWSFJTYBVKZNK-UHFFFAOYSA-O    		 O=S(=O)(O)CCC[N+](C)(CCCCCCCCCCCC)C; CCC
    CCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O; CCCCCC
    CCCCCC[N+](C)(C)CCC[S](O)(=O)=O    		 N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE
    15588 C16
    CHEMBL1231557
    DB07511
    ZINC000039046719    		 1 C16 H10 N2 O2 InChI=1S/C16H10N2O2/c1-10
    -3-2-4-13-14(10)16(20)18(
    15(13)19)12-7-5-11(9-17)6
    -8-12/h2-8H,1H3;
    MVYDBJXCIFMINH-UHFFFAOYSA-N    		 Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N; Cc1
    cccc2C(=O)N(c3ccc(cc3)C#N)C(=O)c12; N#Cc
    1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C    		 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
    15589 C17
    CHEMBL239508
    DB07512
    ZINC000014970152    		 2 C17 H11 Cl O4 InChI=1S/C17H11ClO4/c18-1
    3-3-1-2-11(6-13)10-21-14-
    4-5-15-12(9-19)7-17(20)22
    -16(15)8-14/h1-9H,10H2;
    ZOCADHRNWNJARU-UHFFFAOYSA-N    		 Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2C=O)c3;
    Clc1cccc(COc2ccc3c(OC(=O)C=C3C=O)c2)c1;
    c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O    		 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE
    15590 C18
    CHEMBL239507
    DB07513
    ZINC000014970149    		 2 C18 H16 Cl N O3 InChI=1S/C18H16ClNO3/c1-2
    0-10-13-8-18(21)23-17-9-1
    5(5-6-16(13)17)22-11-12-3
    -2-4-14(19)7-12/h2-9,20H,
    10-11H2,1H3;
    JMGUSOLCNQVZCT-UHFFFAOYSA-N    		 CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl;
    CNCC1=CC(=O)Oc2cc(OCc3cccc(Cl)c3)ccc12;
    Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2CNC)c3    		 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE
    15591 C19
    CHEMBL493986
    DB07514
    ZINC000016052723    		 2 C24 H23 N5 O InChI=1S/C24H23N5O/c1-14-
    8-9-29(17-5-6-18-20(11-17
    )27-13-24(18,2)3)22(30)21
    (14)15-4-7-19-16(10-15)12
    -26-23(25)28-19/h4-12,27H
    ,13H2,1-3H3,(H2,25,26,28);
    LHLGUOHREUTYTO-UHFFFAOYSA-N    		 CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4
    ccc5c(c4)cnc(n5)N; O=C5C(c2cc1cnc(nc1cc2
    )N)=C(C=CN5c3ccc4c(c3)NCC4(C)C)C; CC1=C(
    C(=O)N(C=C1)c2ccc3c(NCC3(C)C)c2)c4ccc5nc
    (N)ncc5c4    		 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
    15592 C1A
    CHEMBL213969
    ZINC000014966613    		 1 C14 H22 N8 S2 InChI=1S/C14H22N8S2/c1-7-
    3-10(6-24-14(20)22-12(17)
    18)8(2)4-9(7)5-23-13(19)2
    1-11(15)16/h3-4H,5-6H2,1-
    2H3,(H5,15,16,19,21)(H5,1
    7,18,20,22);
    UQMGTQSCMRRWFV-UHFFFAOYSA-N    		 Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)
    =N; [H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C
    )CS/C(=N/[H])/N/C(=N/[H])/N)C)\N; Cc1cc(
    c(cc1CSC(=N)NC(=N)N)C)CSC(=N)NC(=N)N; S(
    C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[
    N@H])NC(=[N@H])N)C    		 (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate);
    4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE
    15593 C1B
    ZINC000016051804    		 1 C26 H24 N6 O7 InChI=1S/C26H24N6O7/c27-2
    3(28)12-2-3-18-19(8-12)32
    -24(31-18)17-7-13(14(25(3
    7)38)9-21(34)35)6-16(22(1
    7)36)15-5-11(1-4-20(15)33
    )10-30-26(29)39/h1-8,14,3
    3,36H,9-10H2,(H3,27,28)(H
    ,31,32)(H,34,35)(H,37,38)
    (H3,29,30,39)/t14-/m1/s1;
    JCBJULMYEXYZRC-CQSZACIVSA-N    		 NC(=O)NCc1ccc(O)c(c1)c2cc(cc(c2O)c3[nH]c
    4cc(ccc4n3)C(N)=N)[C@@H](CC(O)=O)C(O)=O;
    NC(=O)NCc1ccc(O)c(c1)c2cc(cc(c2O)c3[nH]
    c4cc(ccc4n3)C(N)=N)[CH](CC(O)=O)C(O)=O;
    O=C(O)CC(C(=O)O)c4cc(c2nc1ccc(cc1n2)C(=[
    N@H])N)c(O)c(c3cc(ccc3O)CNC(=O)N)c4; [H]
    N=C(c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc
    (ccc4O)CNC(=O)N)C(CC(=O)O)C(=O)O)N; [H]/
    N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4c
    c(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\
    N    		 (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID
    15594 C1C
    CHEMBL1231559
    ZINC000000119674    		 1 C22 H14 O4 InChI=1S/C22H14O4/c23-21(
    24)17-11-9-13-5-1-3-7-15(
    13)19(17)20-16-8-4-2-6-14
    (16)10-12-18(20)22(25)26/
    h1-12H,(H,23,24)(H,25,26);
    YDZNRNHKJQTGCG-UHFFFAOYSA-N    		 O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)c
    ccc3; OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc3
    4)C(O)=O; c1ccc2c(c1)ccc(c2c3c4ccccc4ccc
    3C(=O)O)C(=O)O    		 1,1'-binaphthalene-2,2'-dicarboxylic acid;
    1-(2-carboxynaphth-1yl)-2-naphthoic acid
    15595 C1D
    DB07515    		 1 C20 H30 Cl F2 N7 O InChI=1S/C20H30ClF2N7O/c1
    -13-14(5-6-17(24)29-13)10
    -25-8-9-30-16(21)11-27-18
    (19(30)31)28-12-20(22,23)
    15-4-2-3-7-26-15/h2-4,7,1
    1,13-14,17,19,25,29,31H,5
    -6,8-10,12,24H2,1H3,(H,27
    ,28)/t13?,14?,17-,19?/m1/
    s1;
    MQHPMJMCBRFLML-GGZDVPIDSA-N    		 CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3c
    cccn3)(F)F)O; C[CH]1N[CH](N)CC[CH]1CNCCN
    2[CH](O)C(=NC=C2Cl)NCC(F)(F)c3ccccn3; C[
    C@H]1N[C@@H](N)CC[C@H]1CNCCN2[C@@H](O)C(
    =NC=C2Cl)NCC(F)(F)c3ccccn3; FC(F)(c1nccc
    c1)CNC2=NC=C(Cl)N(C2O)CCNCC3C(NC(N)CC3)C    		 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
    15596 C1E
    DB07516
    ZINC000100035584    		 2 C12 H9 Cl O4 InChI=1S/C12H9ClO4/c13-9(
    11(15)12(16)17)6-7-10(14)
    8-4-2-1-3-5-8/h1-7,15H,(H
    ,16,17)/b7-6+,11-9-;
    IBJDCVXDXGFGIO-FKTQTOOFSA-N    		 O=C(\C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1; c1c
    cc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl; OC
    (=O)C(/O)=C(Cl)\C=C\C(=O)c1ccccc1; c1ccc
    (cc1)C(=O)C=CC(=C(C(=O)O)O)Cl; OC(=O)C(O
    )=C(Cl)C=CC(=O)c1ccccc1    		 (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
    15597 C1F
    CHEMBL1231562
    DB07517
    ZINC000005844289    		 4 C12 H16 O5 InChI=1S/C12H16O5/c1-3-4-
    8-7(2)11(12(15)16)9(17-8)
    5-6-10(13)14/h3-6H2,1-2H3
    ,(H,13,14)(H,15,16);
    WMCQWXZMVIETAO-UHFFFAOYSA-N    		 CCCc1oc(CCC(O)=O)c(C(O)=O)c1C; CCCc1c(c(
    c(o1)CCC(=O)O)C(=O)O)C; O=C(O)CCc1oc(c(c
    1C(=O)O)C)CCC    		 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC
    15598 C1G 2 C18 H29 N5 O3 S InChI=1S/C18H29N5O3S/c1-1
    2(13-5-9-27-11-13)22-15(2
    4)18(6-3-7-18)16(25)23-14
    (10-19)4-2-8-21-17(20)26/
    h5,9,11-12,14H,2-4,6-8,10
    ,19H2,1H3,(H,22,24)(H,23,
    25)(H3,20,21,26)/t12-,14+
    /m1/s1;
    QWGHBARYVOPELP-OCCSQVGLSA-N    		 C[CH](NC(=O)C1(CCC1)C(=O)N[CH](CN)CCCNC(
    N)=O)c2cscc2; CC(c1ccsc1)NC(=O)C2(CCC2)C
    (=O)NC(CCCNC(=O)N)CN; C[C@H](c1ccsc1)NC(
    =O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN; C
    [C@@H](NC(=O)C1(CCC1)C(=O)N[C@H](CN)CCCN
    C(N)=O)c2cscc2; C(=O)(C1(CCC1)C(NC(CCCNC
    (N)=O)CN)=O)NC(C)c2ccsc2    		 N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
    15599 C1H
    CHEMBL1738778
    ZINC000066166852    		 1 C13 H15 N5 O9 S3 InChI=1S/C13H15N5O9S3/c14
    -29(22,23)13-16-15-12(28-
    13)17-30(24,25)10-5-3-4-9
    (8-10)11(19)26-6-1-2-7-27
    -18(20)21/h3-5,8H,1-2,6-7
    H2,(H,15,17)(H2,14,22,23);
    QCXYDHYYUCXOLH-UHFFFAOYSA-N    		 c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
    )C(=O)OCCCCO[N+](=O)[O-]; N[S](=O)(=O)c1
    sc(N[S](=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]
    ([O-])=O)nn1; O=S(=O)(c1nnc(s1)NS(=O)(=O
    )c2cc(C(=O)OCCCCO[N+]([O-])=O)ccc2)N    		 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate
    15600 C1I
    CHEMBL4080906
    ZINC000035821313    		 1 C30 H36 N2 O3 InChI=1S/C30H36N2O3/c1-28
    -10-8-21-15-23-26(33)27(3
    4)24(32(2)3)16-29(23)11-1
    2-30(21,35-29)25(28)7-6-2
    2(28)19-5-4-18-9-13-31-17
    -20(18)14-19/h4-5,8-9,13-
    15,17,22,24-27,33-34H,6-7
    ,10-12,16H2,1-3H3/t22-,24
    +,25-,26-,27-,28-,29-,30-
    /m1/s1;
    KSGZCKSNTAJOJS-DZBMUNJRSA-N    		 CN(C)[CH]1C[C]23CC[C]4(O2)[CH]5CC[CH](c6
    ccc7ccncc7c6)[C]5(C)CC=C4C=C3[CH](O)[CH]
    1O; C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C
    [C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccn
    cc7c6)O5)N(C)C)O)O; CC12CC=C3C=C4C(C(C(C
    C45CCC3(C1CCC2c6ccc7ccncc7c6)O5)N(C)C)O)
    O; CN(C)[C@H]1C[C@@]23CC[C@]4(O2)[C@@H]5
    CC[C@H](c6ccc7ccncc7c6)[C@@]5(C)CC=C4C=C
    3[C@@H](O)[C@@H]1O; OC5C4=CC7=CCC3(C(c2c
    c1cnccc1cc2)CCC3C76OC4(CC(N(C)C)C5O)CC6)
    C    		 CORTISTATIN A
    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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