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  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    44801 Z15
    CHEMBL1738938
    ZINC000066156449    		 3 C12 H15 Cl O7 InChI=1S/C12H15ClO7/c13-5
    -2-6(15)4(1-7(5)16)12-11(
    19)10(18)9(17)8(3-14)20-1
    2/h1-2,8-12,14-19H,3H2/t8
    -,9-,10+,11-,12+/m1/s1;
    LHMIFDKRIZSEFV-ZIQFBCGOSA-N    		 c1c(c(cc(c1O)Cl)O)C2C(C(C(C(O2)CO)O)O)O;
    OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1
    O)c2cc(O)c(Cl)cc2O; OC[CH]1O[CH]([CH](O)
    [CH](O)[CH]1O)c2cc(O)c(Cl)cc2O; Clc1c(O)
    cc(c(O)c1)C2OC(CO)C(O)C(O)C2O; c1c(c(cc(
    c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O    		 (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
    44802 Z16
    CHEMBL1738939
    ZINC000066156451    		 1 C12 H15 Cl O7 InChI=1S/C12H15ClO7/c13-6
    -2-4(15)1-5(8(6)16)12-11(
    19)10(18)9(17)7(3-14)20-1
    2/h1-2,7,9-12,14-19H,3H2/
    t7-,9-,10+,11-,12+/m1/s1;
    SCGLZDHCPHCUAO-URYVQPGZSA-N    		 Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O; c1c
    (cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](
    O2)CO)O)O)O)O)Cl)O; OC[CH]1O[CH]([CH](O)
    [CH](O)[CH]1O)c2cc(O)cc(Cl)c2O; OC[C@H]1
    O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)
    cc(Cl)c2O; c1c(cc(c(c1C2C(C(C(C(O2)CO)O)
    O)O)O)Cl)O    		 (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol
    44803 Z17
    ZINC000095920570    		 2 C11 H13 N5 O4 InChI=1S/C11H13N5O4/c1-4(
    3-5(17)18)7-8(19)6-9(16(2
    )15-7)13-11(12)14-10(6)20
    /h4H,3H2,1-2H3,(H,17,18)(
    H3,12,13,14,20)/t4-/m1/s1;
    SXWJQNIIWHUAJQ-SCSAIBSYSA-N    		 O=C(O)CC(C1=NN(C=2N=C(NC(=O)C=2C1=O)N)C)
    C; C[CH](CC(O)=O)C1=NN(C)C2=C(C(=O)NC(=N
    2)N)C1=O; CC(CC(=O)O)C1=NN(C2=C(C1=O)C(=
    O)NC(=N2)N)C; C[C@H](CC(=O)O)C1=NN(C2=C(
    C1=O)C(=O)NC(=N2)N)C; C[C@H](CC(O)=O)C1=
    NN(C)C2=C(C(=O)NC(=N2)N)C1=O    		 (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
    44804 Z18
    ZINC000095921022    		 2 C21 H35 N O5 InChI=1S/C21H35NO5/c1-8-1
    8-13(2)9-10-17(23)14(3)11
    -15(4)20(16(5)21(25)26-18
    )27-19(24)12-22(6)7/h9-10
    ,13-16,18,20H,8,11-12H2,1
    -7H3/b10-9+/t13-,14-,15+,
    16-,18-,20+/m1/s1;
    ZTAVKALHSBCIRD-ABXOMAQFSA-N    		 CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CN(C)
    C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C;
    CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)C
    N(C)C)C)C)C; CC[C@@H]1[C@@H](/C=C/C(=O)[
    C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(
    =O)CN(C)C)C)C)C; CC[CH]1OC(=O)[CH](C)[CH
    ](OC(=O)CN(C)C)[CH](C)C[CH](C)C(=O)C=C[C
    H]1C; O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CN
    (C)C)C1C)C)C)CC    		 (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate
    44805 Z19
    ZINC000000081541    		 1 C8 H8 N4 O InChI=1S/C8H8N4O/c9-10-8(
    13)7-5-3-1-2-4-6(5)11-12-
    7/h1-4H,9H2,(H,10,13)(H,1
    1,12);
    JOUPSJAGJHYWLM-UHFFFAOYSA-N    		 c1ccc2c(c1)c(n[nH]2)C(=O)NN; NNC(=O)c1n[
    nH]c2ccccc12; O=C(c2nnc1ccccc12)NN    		 1H-indazole-3-carbohydrazide
    44806 Z1B 3 C39 H49 F2 N5 O9 S InChI=1S/C39H49F2N5O9S/c1
    -38(2,3)33(44-37(50)55-39
    (4,5)6)36(49)46-21-24(18-
    30(46)35(48)43-29(20-32(4
    0)41)34(47)45-56(51,52)25
    -14-15-25)54-31-19-27(22-
    11-9-8-10-12-22)42-28-17-
    23(53-7)13-16-26(28)31/h8
    -13,16-17,19,24-25,29-30,
    32-33H,14-15,18,20-21H2,1
    -7H3,(H,43,48)(H,44,50)(H
    ,45,47)/t24-,29+,30+,33-/
    m1/s1;
    LGOOHMFDMLUYDW-RXAGJDKHSA-N    		 CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC(CC(F)F)C(
    =O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)
    c5ccccc5)NC(=O)OC(C)(C)C; C4(Oc3c1c(cc(c
    c1)OC)nc(c2ccccc2)c3)CN(C(C4)C(=O)NC(C(N
    S(C5CC5)(=O)=O)=O)CC(F)F)C(C(NC(=O)OC(C)
    (C)C)C(C)(C)C)=O; COc1ccc2c(O[CH]3C[CH](
    N(C3)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)
    C(=O)N[CH](CC(F)F)C(=O)N[S](=O)(=O)C4CC4
    )cc(nc2c1)c5ccccc5; COc1ccc2c(O[C@@H]3C[
    C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(
    C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)N[S](=O)
    (=O)C4CC4)cc(nc2c1)c5ccccc5; CC(C)(C)[C@
    @H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C
    C(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3cc
    c(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C    		 N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
    44807 Z1E
    CHEMBL4160876    		 2 C34 H44 Cl F2 N5 O9 S InChI=1S/C34H44ClF2N5O9S/
    c1-32(2,3)25(39-31(46)51-
    33(4,5)6)29(44)42-16-18(5
    0-28-21-12-17(35)8-11-20(
    21)24(49-7)15-38-28)13-23
    (42)27(43)40-34(14-22(34)
    26(36)37)30(45)41-52(47,4
    8)19-9-10-19/h8,11-12,15,
    18-19,22-23,25-26H,9-10,1
    3-14,16H2,1-7H3,(H,39,46)
    (H,40,43)(H,41,45)/t18-,2
    2+,23+,25-,34-/m1/s1;
    PSVSXONHXYMVQH-GGFAASIMSA-N    		 CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C(F)F
    )C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)
    OC)Cl)NC(=O)OC(C)(C)C; COc1cnc(O[CH]2C[C
    H](N(C2)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C
    )C)C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S](=O)(
    =O)C4CC4)c5cc(Cl)ccc15; CC(C)(C)[C@@H](C
    (=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]
    2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5
    c(cn4)OC)Cl)NC(=O)OC(C)(C)C; COc1cnc(O[C
    @@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)
    (C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C(F)F)
    C(=O)N[S](=O)(=O)C4CC4)c5cc(Cl)ccc15; C1
    (C(C1)C(F)F)(NC(C2N(C(C(NC(OC(C)(C)C)=O)
    C(C)(C)C)=O)CC(C2)Oc4c3cc(ccc3c(cn4)OC)C
    l)=O)C(NS(C5CC5)(=O)=O)=O    		 N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide
    44808 Z1I 1 C21 H31 Cl F N5 O2 InChI=1S/C21H31ClFN5O2/c1
    -13-9-27(10-14(2)26(13)3)
    21(30)28-11-15(8-24)6-16(
    12-28)20(29)25-17-4-5-18(
    22)19(23)7-17/h4-5,7,13-1
    6H,6,8-12,24H2,1-3H3,(H,2
    5,29)/t13-,14+,15-,16-/m0
    /s1;
    HRIQFADDJYTHCU-FZKCQIBNSA-N    		 C[C@@H]1CN(C[C@@H](N1C)C)C(=O)N2C[C@@H](
    C[C@@H](C2)C(=O)Nc3ccc(c(c3)F)Cl)CN; CC1
    CN(CC(C)N1C)C(=O)N1CC(CC(CN)C1)C(=O)Nc1c
    cc(Cl)c(F)c1; C[C@H]1CN(C[C@@H](C)N1C)C(
    =O)N2C[C@H](CN)C[C@@H](C2)C(=O)Nc3ccc(Cl
    )c(F)c3; CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)
    C(=O)Nc3ccc(c(c3)F)Cl)CN; C[CH]1CN(C[CH]
    (C)N1C)C(=O)N2C[CH](CN)C[CH](C2)C(=O)Nc3
    ccc(Cl)c(F)c3    		 (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide
    44809 Z1L
    ZINC000143772888    		 1 C10 H11 N O2 InChI=1S/C10H11NO2/c12-9(
    13)10(6-7-10)11-8-4-2-1-3
    -5-8/h1-5,11H,6-7H2,(H,12
    ,13);
    PEQKOXWTSSMZHA-UHFFFAOYSA-N    		 O=C(O)C1(Nc2ccccc2)CC1; c1ccc(cc1)NC2(CC
    2)C(=O)O; OC(=O)C1(CC1)Nc2ccccc2    		 1-anilinocyclopropane-1-carboxylic acid
    44810 Z1T
    ZINC000040164306    		 17 C42 H83 N O3 InChI=1S/C42H83NO3/c1-3-5
    -7-9-11-13-15-17-18-19-20
    -21-22-23-24-26-28-30-32-
    34-36-38-42(46)43-40(39-4
    4)41(45)37-35-33-31-29-27
    -25-16-14-12-10-8-6-4-2/h
    35,37,40-41,44-45H,3-34,3
    6,38-39H2,1-2H3,(H,43,46)
    /b37-35+/t40-,41+/m0/s1;
    ZJVVOYPTFQEGPH-AUTSUKAISA-N    		 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[
    C@@H](C=CCCCCCCCCCCCCC)O; CCCCCCCCCCCCCC
    CCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CC
    CCCCCCCCCCC; O=C(NC(CO)C(O)/C=C/CCCCCCCC
    CCCCC)CCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCCC
    CCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCC
    CCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCC(=O
    )NC(CO)C(C=CCCCCCCCCCCCCC)O    		 N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide
    44811 Z1Z 1 C20 H27 Cl F N5 O4 InChI=1S/C20H27ClFN5O4/c2
    1-16-2-1-15(8-17(16)22)24
    -19(30)14-7-13(12-28)10-2
    7(11-14)20(31)26-5-3-25(4
    -6-26)18(29)9-23/h1-2,8,1
    3-14,28H,3-7,9-12,23H2,(H
    ,24,30)/t13-,14+/m1/s1;
    IUMJQOWKMYPJNQ-KGLIPLIRSA-N    		 NCC(=O)N1CCN(CC1)C(=O)N2C[C@H](CO)C[C@@H
    ](C2)C(=O)Nc3ccc(Cl)c(F)c3; O=C(N1CC(CC(
    CO)C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(
    =O)CN; c1cc(c(cc1NC(=O)[C@H]2C[C@H](CN(C
    2)C(=O)N3CCN(CC3)C(=O)CN)CO)F)Cl; NCC(=O
    )N1CCN(CC1)C(=O)N2C[CH](CO)C[CH](C2)C(=O
    )Nc3ccc(Cl)c(F)c3; c1cc(c(cc1NC(=O)C2CC(
    CN(C2)C(=O)N3CCN(CC3)C(=O)CN)CO)F)Cl    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide
    44812 Z20
    ZINC000033921629    		 1 C16 H10 Cl N3 O4 S InChI=1S/C16H10ClN3O4S/c1
    7-10-3-1-2-4-11(10)18-16-
    19-15(22)14(25-16)8-9-5-6
    -13(21)12(7-9)20(23)24/h1
    -8,21H,(H,18,19,22)/b14-8
    -;
    SHXHWOPEFBMMKJ-ZSOIEALJSA-N    		 c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3
    )[N+](=O)[O-])O)/S2)Cl; Oc1ccc(\C=C\2SC(
    NC\2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=O; c1c
    cc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)[N+](=O
    )[O-])O)S2)Cl; [O-][N+](=O)c1c(O)ccc(c1)
    \C=C3/S/C(=N\c2c(Cl)cccc2)NC3=O; Oc1ccc(
    C=C2SC(NC2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=
    O    		 (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
    44813 Z21
    ZINC000035086791    		 1 C10 H9 Br N6 O InChI=1S/C10H9BrN6O/c1-2-
    17-6-3-7(11)13-4-5(6)14-1
    0(17)8-9(12)16-18-15-8/h3
    -4H,2H2,1H3,(H2,12,16);
    BDVLCOBTGBLROW-UHFFFAOYSA-N    		 CCn1c2cc(Br)ncc2nc1c3nonc3N; CCn1c2cc(nc
    c2nc1c3c(non3)N)Br; Brc1ncc2nc(n(c2c1)CC
    )c3nonc3N    		 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
    44814 Z22
    CHEMBL1236925
    ZINC000004268917    		 1 C2 H6 O2 S2 InChI=1S/C2H6O2S2/c1-5-6(
    2,3)4/h1-2H3;
    XYONNSVDNIRXKZ-UHFFFAOYSA-N    		 CSS(=O)(=O)C; CS[S](C)(=O)=O S-methyl methanesulfonothioate;
    S-Methyl methanethiosulfonate
    44815 Z23 0 C20 H19 F2 N5 O2 InChI=1S/C20H17F2N5O2/c1-
    10-15(21)19(28-13-6-2-4-1
    1(8-13)17(23)24)27-20(16(
    10)22)29-14-7-3-5-12(9-14
    )18(25)26/h2-9H,1H3,(H3,2
    3,24)(H3,25,26)/p+2;
    ZXIHYCYAQUQHSG-UHFFFAOYSA-P    		 Fc3c(Oc1cc(C(=[NH2+])\N)ccc1)nc(Oc2cccc(
    C(=[NH2+])\N)c2)c(F)c3C; Cc1c(F)c(Oc2ccc
    c(c2)C(N)=[NH2+])nc(Oc3cccc(c3)C(N)=[NH2
    +])c1F; Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2
    +])N)Oc3cccc(c3)C(=[NH2+])N)F    		 DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE;
    ZK-805623
    44816 Z24 1 C11 H11 F2 N O3 InChI=1S/C11H11F2NO3/c12-
    7-1-2-9(8(13)4-7)14-5-6(1
    1(16)17)3-10(14)15/h1-2,4
    ,6,10,15H,3,5H2,(H,16,17)
    /t6-,10-/m1/s1;
    HKKAZODAIOIPGM-LHLIQPBNSA-N    		 O[C@@H]1C[C@H](CN1c2ccc(F)cc2F)C(O)=O; c
    1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O;
    c1cc(c(cc1F)F)N2CC(CC2O)C(=O)O; O[CH]1C[
    CH](CN1c2ccc(F)cc2F)C(O)=O    		 (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
    44817 Z25
    ZINC000095921348    		 2 C9 H9 N5 O4 InChI=1S/C9H9N5O4/c10-9-1
    1-7-5(8(18)12-9)6(17)3(13
    -14-7)1-2-4(15)16/h1-2H2,
    (H,15,16)(H4,10,11,12,14,
    17,18);
    CGUTUVAIFLDCOT-UHFFFAOYSA-N    		 C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N;
    NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CCC(O)=O;
    O=C(O)CCC1=NNC=2N=C(NC(=O)C=2C1=O)N    		 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
    44818 Z26 2 C18 H15 Cl N2 O2 InChI=1S/C18H15ClN2O2/c1-
    23-17-7-6-14(19)8-13(17)9
    -18(22)21-16-11-20-10-12-
    4-2-3-5-15(12)16/h2-8,10-
    11H,9H2,1H3,(H,21,22);
    UFUGOWGYSILVPI-UHFFFAOYSA-N    		 Clc1cc(CC(=O)Nc2cncc3ccccc32)c(OC)cc1; C
    Oc1ccc(Cl)cc1CC(=O)Nc2cncc3ccccc23; COc1
    ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl    		 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide
    44819 Z27
    CHEMBL1236927
    ZINC000037868313    		 3 C20 H10 Cl3 F3 N2 O2 S3 InChI=1S/C20H10Cl3F3N2O2S
    3/c21-11-2-4-17-15(8-11)2
    7-19(32-17)31-16-5-3-12(9
    -13(16)22)28-33(29,30)18-
    6-1-10(7-14(18)23)20(24,2
    5)26/h1-9,28H;
    BYUHFXVHEGWPSE-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc4ccc(Sc
    2nc3cc(Cl)ccc3s2)c(Cl)c4; FC(F)(F)c1ccc(
    c(Cl)c1)[S](=O)(=O)Nc2ccc(Sc3sc4ccc(Cl)c
    c4n3)c(Cl)c2; c1cc(c(cc1C(F)(F)F)Cl)S(=O
    )(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl    		 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
    44820 Z2C 1 C23 H36 O6 S InChI=1S/C23H36O6S/c1-29-
    15-17-5-2-4-16(12-17)13-1
    8(24)7-8-19-20(22(26)14-2
    1(19)25)9-11-30-10-3-6-23
    (27)28/h2,4-5,12,18-22,24
    -26H,3,6-11,13-15H2,1H3,(
    H,27,28)/t18-,19+,20+,21+
    ,22-/m0/s1;
    UNLPOHHUKUNCNX-POHUPDAJSA-N    		 COCc1cccc(C[C@@H](O)CC[C@H]2[C@H](O)C[C@
    H](O)[C@@H]2CCSCCCC(O)=O)c1; COCc1cccc(C
    [CH](O)CC[CH]2[CH](O)C[CH](O)[CH]2CCSCCC
    C(O)=O)c1; OC1CC(O)C(CCC(O)Cc2cccc(COC)c
    2)C1CCSCCCC(=O)O; COCc1cccc(c1)CC(CCC2C(
    CC(C2CCSCCCC(=O)O)O)O)O; COCc1cccc(c1)C[
    C@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2CCSCC
    CC(=O)O)O)O)O    		 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid
    44821 Z2D
    ZINC000000897147    		 2 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4-,5-,6+/m
    0/s1;
    WQZGKKKJIJFFOK-GKFJPSPNSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@H]1O[C@@
    H](O)[C@@H](O)[C@@H](O)[C@H]1O; OC[CH]1O
    [CH](O)[CH](O)[CH](O)[CH]1O; C([C@H]1[C@
    @H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O; O
    C1C(O)C(OC(O)C1O)CO    		 alpha-L-allopyranose;
    alpha-L-allose;
    L-allose;
    allose
    44822 Z2F
    ZINC000045235862    		 4 C7 H6 N2 O2 S2 InChI=1S/C7H6N2O2S2/c8-13
    (10,11)5-1-2-6-7(3-5)12-4
    -9-6/h1-4H,(H2,8,10,11);
    KRRLILAOGRCMFH-UHFFFAOYSA-N    		 c1cc2c(cc1S(=O)(=O)N)scn2; N[S](=O)(=O)c
    1ccc2ncsc2c1; NS(=O)(=O)c1ccc2ncsc2c1    		 1,3-benzothiazole-6-sulfonamide
    44823 Z2M
    ZINC000095920791    		 1 C13 H11 N3 O InChI=1S/C13H11N3O/c1-2-1
    0(17-7-1)9-5-6-14-13-11(9
    )12(15-16-13)8-3-4-8/h1-2
    ,5-8H,3-4H2,(H,14,15,16);
    CVODVHVJEVVKKB-UHFFFAOYSA-N    		 C1CC1c2n[nH]c3nccc(c4occc4)c23; n3c(c2c(
    c1occc1)ccnc2n3)C4CC4; c1cc(oc1)c2ccnc3c
    2c(n[nH]3)C4CC4    		 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine
    44824 Z2O 1 C20 H26 Cl F N4 O5 InChI=1S/C20H26ClFN4O5/c2
    1-16-2-1-15(8-17(16)22)23
    -19(30)14-7-13(12-27)9-26
    (10-14)20(31)25-5-3-24(4-
    6-25)11-18(28)29/h1-2,8,1
    3-14,27H,3-7,9-12H2,(H,23
    ,30)(H,28,29)/t13-,14+/m1
    /s1;
    CDXSZJHTSAQVKF-KGLIPLIRSA-N    		 c1cc(c(cc1NC(=O)C2CC(CN(C2)C(=O)N3CCN(CC
    3)CC(=O)O)CO)F)Cl; OC[C@@H]1C[C@@H](CN(C
    1)C(=O)N2CCN(CC2)CC(O)=O)C(=O)Nc3ccc(Cl)
    c(F)c3; OC(=O)CN1CCN(CC1)C(=O)N1CC(CC(CO
    )C1)C(=O)Nc1ccc(Cl)c(F)c1; OC[CH]1C[CH](
    CN(C1)C(=O)N2CCN(CC2)CC(O)=O)C(=O)Nc3ccc
    (Cl)c(F)c3; c1cc(c(cc1NC(=O)[C@H]2C[C@H]
    (CN(C2)C(=O)N3CCN(CC3)CC(=O)O)CO)F)Cl    		 {4-[(3S,5R)-3-[(4-chloro-3-fluorophenyl)carbamoyl]-5-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl}acetic acid
    44825 Z2T
    CHEMBL1738940
    ZINC000066156452    		 1 C13 H17 Cl O7 InChI=1S/C13H17ClO7/c1-20
    -5-2-6(9(16)7(14)3-5)13-1
    2(19)11(18)10(17)8(4-15)2
    1-13/h2-3,8,10-13,15-19H,
    4H2,1H3/t8-,10-,11+,12-,1
    3+/m1/s1;
    MBLREHINSXJTTD-ZMHPAJMFSA-N    		 COc1cc(c(c(c1)Cl)O)C2C(C(C(C(O2)CO)O)O)O
    ; COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O; COc1cc(Cl)c(O)
    c(c1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O;
    Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O; C
    Oc1cc(Cl)c(O)c(c1)[C@@H]2O[C@H](CO)[C@@H
    ](O)[C@H](O)[C@H]2O    		 (1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol
    44826 Z2V 1 C22 H28 N2 O5 InChI=1S/C22H28N2O5/c1-13
    -11-22(2,24-21(29)15-6-4-
    3-5-7-15)12-16(20(13)28)1
    7(25)8-14-9-18(26)23-19(2
    7)10-14/h3-7,13-14,16-17,
    25H,8-12H2,1-2H3,(H,24,29
    )(H,23,26,27)/t13-,16-,17
    +,22+/m0/s1;
    HNMIURKVBYLOSU-NYGMARBTSA-N    		 CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)N
    C(=O)c3ccccc3; C[C@H]1C[C@@](C[C@H](C1=O
    )[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3c
    cccc3; C[C@H]1C[C@](C)(C[C@@H]([C@H](O)C
    C2CC(=O)NC(=O)C2)C1=O)NC(=O)c3ccccc3; C[
    CH]1C[C](C)(C[CH]([CH](O)CC2CC(=O)NC(=O)
    C2)C1=O)NC(=O)c3ccccc3; O=C1CC(CC(O)C2CC
    (C)(NC(=O)c3ccccc3)CC(C)C2=O)CC(=O)N1    		 N-[(1R,3S,4R,5S)-3-{(1R)-2-[(2R,4r,6S)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide
    44827 Z2Z
    ZINC000039140297    		 4 C10 H9 N O2 S InChI=1S/C10H9NO2S/c1-14(
    12,13)9-6-2-4-8-5-3-7-11-
    10(8)9/h2-7H,1H3;
    RPUNNHCLJDHINC-UHFFFAOYSA-N    		 CS(=O)(=O)c1cccc2cccnc12; CS(=O)(=O)c1cc
    cc2c1nccc2; C[S](=O)(=O)c1cccc2cccnc12    		 8-(methanesulfonyl)quinoline
    44828 Z30
    ZINC000000390033    		 1 C12 H20 N4 O InChI=1S/C12H20N4O/c1-12(
    2,3)7-4-5-9-8(6-7)10(16-1
    5-9)11(17)14-13/h7H,4-6,1
    3H2,1-3H3,(H,14,17)(H,15,
    16)/t7-/m1/s1;
    WPAHESSOUBKEIY-SSDOTTSWSA-N    		 CC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1; CC(
    C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1; O=C(c
    1nnc2c1CC(CC2)C(C)(C)C)NN; CC(C)(C)[C@@H
    ]1CCc2[nH]nc(C(=O)NN)c2C1; CC(C)(C)[C@@H
    ]1CCc2c(c(n[nH]2)C(=O)NN)C1    		 (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
    44829 Z31
    CHEMBL2377861
    ZINC000095920617    		 1 C17 H15 N3 O S InChI=1S/C17H15N3OS/c1-2-
    9-19-17-20-16(18)15(22-17
    )14(21)13-8-7-11-5-3-4-6-
    12(11)10-13/h2-8,10H,1,9,
    18H2,(H,19,20);
    NWVQKPQYUAHOFK-UHFFFAOYSA-N    		 C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N; O=
    C(c1sc(nc1N)NC/C=C)c3cc2ccccc2cc3; Nc1nc
    (NCC=C)sc1C(=O)c2ccc3ccccc3c2    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
    44830 Z34
    CHEMBL73193
    ZINC000001902827    		 1 C25 H24 F2 N6 O5 InChI=1S/C25H24F2N6O5/c1-
    32-9-8-30-23(32)14-4-3-5-
    15(10-14)37-24-19(26)21(3
    3(2)12-18(35)36)20(27)25(
    31-24)38-17-11-13(22(28)2
    9)6-7-16(17)34/h3-7,10-11
    ,34H,8-9,12H2,1-2H3,(H3,2
    8,29)(H,35,36);
    NPNSVNGQJGRSNR-UHFFFAOYSA-N    		 [H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3ccc
    c(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N; CN1
    CCN=C1c2cccc(Oc3nc(Oc4cc(ccc4O)C(N)=N)c(
    F)c(N(C)CC(O)=O)c3F)c2; O=C(O)CN(c2c(F)c
    (nc(Oc1cc(C(=[N@H])N)ccc1O)c2F)Oc4cc(C3=
    NCCN3C)ccc4)C; [H]N=C(c1ccc(c(c1)Oc2c(c(
    c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)
    O)F)O)N    		 N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-3,5-DIFLUORO-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]-N-METHYLGLYCINE
    44831 Z3A
    CHEMBL4447360    		 1 C18 H20 N4 O3 InChI=1S/C18H20N4O3/c1-11
    (24)15(10-23)21-17-14(18(
    19)25)8-20-22-9-13(7-16(1
    7)22)12-5-3-2-4-6-12/h2-9
    ,11,15,21,23-24H,10H2,1H3
    ,(H2,19,25)/t11-,15-/m1/s
    1;
    PRWQQLFMBINSAW-IAQYHMDHSA-N    		 C[CH](O)[CH](CO)Nc1c2cc(cn2ncc1C(N)=O)c3
    ccccc3; C[C@@H](O)[C@@H](CO)Nc1c2cc(cn2n
    cc1C(N)=O)c3ccccc3; CC(C(CO)Nc1c2cc(cn2n
    cc1C(=O)N)c3ccccc3)O; O=C(c1cnn2c(c1NC(C
    O)C(O)C)cc(c2)c3ccccc3)N; C[C@H]([C@@H](
    CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O    		 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
    44832 Z3D 2 C13 H25 N O9 InChI=1S/C13H25NO9/c14-5-
    1-4(2-15)12(10(20)7(5)17)
    23-13-11(21)9(19)8(18)6(3
    -16)22-13/h4-13,15-21H,1-
    3,14H2/t4-,5+,6-,7+,8-,9+
    ,10-,11-,12-,13-/m1/s1;
    IURYEWAUXBUYIM-BTADNHFESA-N    		 N[CH]1C[CH](CO)[CH](O[CH]2O[CH](CO)[CH](
    O)[CH](O)[CH]2O)[CH](O)[CH]1O; OCC1CC(N)
    C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O; C1C(C(C(
    C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)CO; C1[
    C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C
    @@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O
    )O)CO; N[C@H]1C[C@H](CO)[C@@H](O[C@H]2O[
    C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O
    )[C@H]1O    		 (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside
    44833 Z3E
    ZINC000000402724    		 0 C11 H15 N O3 InChI=1S/C11H15NO3/c1-8(1
    0(12)11(13)14)15-7-9-5-3-
    2-4-6-9/h2-6,8,10H,7,12H2
    ,1H3,(H,13,14)/t8-,10+/m1
    /s1;
    ONOURAAVVKGJNM-SCZZXKLOSA-N    		 C[C@@H](OCc1ccccc1)[C@H](N)C(O)=O; O=C(O
    )C(N)C(OCc1ccccc1)C; CC(C(C(=O)O)N)OCc1c
    cccc1; C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1
    ; C[CH](OCc1ccccc1)[CH](N)C(O)=O    		 O-benzyl-L-threonine
    44834 Z3F 1 C18 H24 Cl F N4 O2 InChI=1S/C18H24ClFN4O2/c1
    -22-7-9-23(10-8-22)18(26)
    24-6-2-3-13(12-24)17(25)2
    1-14-4-5-15(19)16(20)11-1
    4/h4-5,11,13H,2-3,6-10,12
    H2,1H3,(H,21,25)/t13-/m0/
    s1;
    KORUUSLMTDCGIB-ZDUSSCGKSA-N    		 CN1CCN(CC1)C(=O)N2CCC[C@@H](C2)C(=O)Nc3c
    cc(Cl)c(F)c3; CN1CCN(CC1)C(=O)N2CCC[CH](
    C2)C(=O)Nc3ccc(Cl)c(F)c3; CN1CCN(CC1)C(=
    O)N2CCCC(C2)C(=O)Nc3ccc(c(c3)F)Cl; CN1CC
    N(CC1)C(=O)N2CCC[C@@H](C2)C(=O)Nc3ccc(c(
    c3)F)Cl; O=C(N1CCN(C)CC1)N1CCCC(C1)C(=O)
    Nc1ccc(Cl)c(F)c1    		 (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide
    44835 Z3H
    ZINC000048903494    		 2 C10 H13 N O3 S InChI=1S/C10H13NO3S/c1-15
    (12,13)11-9-6-7-14-10-5-3
    -2-4-8(9)10/h2-5,9,11H,6-
    7H2,1H3/t9-/m1/s1;
    GLQMCOZZWSNYPN-SECBINFHSA-N    		 CS(=O)(=O)NC1CCOc2ccccc21; C[S](=O)(=O)N
    [CH]1CCOc2ccccc12; C[S](=O)(=O)N[C@@H]1C
    COc2ccccc12; CS(=O)(=O)N[C@@H]1CCOc2c1cc
    cc2; CS(=O)(=O)NC1CCOc2c1cccc2    		 N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide
    44836 Z3J
    CHEMBL5079632    		 2 C23 H24 N2 O5 InChI=1S/C23H24N2O5/c1-24
    -22(28)20-19-16(10-25-9-8
    -23(11-25)12-29-13-23)17(
    27)6-7-18(19)30-21(20)14-
    2-4-15(26)5-3-14/h2-7,26-
    27H,8-13H2,1H3,(H,24,28);
    VXMQXQJRVCOGAY-UHFFFAOYSA-N    		 CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c1
    2)c5ccc(O)cc5; CNC(=O)c1c2c(ccc(c2CN3CCC
    4(C3)COC4)O)oc1c5ccc(cc5)O; CNC(=O)c1c2c
    (oc1c1ccc(O)cc1)ccc(O)c2CN1CCC2(C1)COC2    		 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
    44837 Z3K 1 C12 H19 N O10 S InChI=1S/C12H19NO10S/c1-5
    (14)20-4-8-9(17)10(21-6(2
    )15)11(22-7(3)16)12(23-8)
    24(13,18)19/h8-12,17H,4H2
    ,1-3H3,(H2,13,18,19)/t8-,
    9-,10+,11-,12+/m1/s1;
    BMAFGBMWLRBIND-ZIQFBCGOSA-N    		 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H
    ](OC(C)=O)[C@@H]1O)[S](N)(=O)=O; CC(=O)O
    CC1C(C(C(C(O1)S(=O)(=O)N)OC(=O)C)OC(=O)C
    )O; CC(=O)OC[CH]1O[CH]([CH](OC(C)=O)[CH]
    (OC(C)=O)[CH]1O)[S](N)(=O)=O; O=S(=O)(N)
    C1OC(C(O)C(OC(=O)C)C1OC(=O)C)COC(=O)C; C
    C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](
    O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O    		 (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol
    44838 Z3L
    ZINC000034621020    		 1 C14 H20 O10 InChI=1S/C14H20O10/c1-6(1
    5)20-5-10-11(21-7(2)16)12
    (22-8(3)17)13(14(19)24-10
    )23-9(4)18/h10-14,19H,5H2
    ,1-4H3/t10-,11+,12+,13-,1
    4-/m1/s1;
    IEOLRPPTIGNUNP-MBJXGIAVSA-N    		 O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O
    )C)C; CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]
    ([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C; CC
    (=O)OC[C@H]1O[C@@H](O)[C@H](OC(C)=O)[C@@
    H](OC(C)=O)[C@H]1OC(C)=O; CC(=O)OC[CH]1O
    [CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC
    (C)=O; CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC
    (=O)C)OC(=O)C    		 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
    44839 Z3N 2 C30 H34 F3 N5 O InChI=1S/C30H34F3N5O/c1-1
    9-6-5-9-37(15-19)16-21-10
    -24-25(26(11-21)30(31,32)
    33)17-38(27(24)39)23-8-4-
    7-22(12-23)29(13-20(2)14-
    29)28-35-34-18-36(28)3/h4
    ,7-8,10-12,18-20H,5-6,9,1
    3-17H2,1-3H3/t19-,20-,29+
    /m0/s1;
    HUOLMBXGHHSYHC-QWQFASRJSA-N    		 CC1CCCN(C1)Cc2cc3c(c(c2)C(F)(F)F)CN(C3=O
    )c4cccc(c4)C5(CC(C5)C)c6nncn6C; C[CH]1CC
    CN(C1)Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c4cc
    cc(c4)[C]5(C[CH](C)C5)c6nncn6C; C[C@H]1C
    CCN(C1)Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c4c
    ccc(c4)[C@@]5(C[C@@H](C)C5)c6nncn6C; Cn1
    cnnc1C1(CC(C)C1)c1cc(ccc1)N1Cc2c(cc(cc2C
    (F)(F)F)CN2CCCC(C)C2)C1=O; C[C@H]1CCCN(C
    1)Cc2cc3c(c(c2)C(F)(F)F)CN(C3=O)c4cccc(c
    4)C5(CC(C5)C)c6nncn6C    		 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
    44840 Z3O 2 C15 H18 N2 InChI=1S/C15H18N2/c1-12-6
    -8-17(9-7-12)11-13-10-16-
    15-5-3-2-4-14(13)15/h2-6,
    8,10,12-13H,7,9,11H2,1H3/
    t12-,13+/m0/s1;
    WHQXGKWROUWUGC-QWHCGFSZSA-N    		 CC1CCN(C=C1)CC2C=Nc3c2cccc3; C[C@@H]1CCN
    (C[C@H]2C=Nc3ccccc23)C=C1; CC1C=CN(CC2C=
    Nc3ccccc23)CC1; C[C@@H]1CCN(C=C1)CC2C=Nc
    3c2cccc3; C[CH]1CCN(C[CH]2C=Nc3ccccc23)C
    =C1    		 (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole
    44841 Z3P
    ZINC000145743383    		 3 C9 H15 O7 P InChI=1S/C9H15O7P/c10-7(1
    1)1-4-17(16,5-2-8(12)13)6
    -3-9(14)15/h1-6H2,(H,10,1
    1)(H,12,13)(H,14,15);
    XJGZCDJZBUBTKW-UHFFFAOYSA-N    		 OC(=O)CC[P](=O)(CCC(O)=O)CCC(O)=O; O=C(O
    )CCP(=O)(CCC(=O)O)CCC(=O)O; C(CP(=O)(CCC
    (=O)O)CCC(=O)O)C(=O)O    		 3,3',3''-phosphoryltripropanoic acid
    44842 Z3Q
    ZINC000035928963    		 0 C10 H18 N4 O6 InChI=1S/C10H18N4O6/c1-5(
    16)13-7-9(18)8(17)6(4-15)
    20-10(7)19-3-2-12-14-11/h
    6-10,15,17-18H,2-4H2,1H3,
    (H,13,16)/t6-,7-,8-,9-,10
    -/m1/s1;
    DHQJPCIPZHPDSL-VVULQXIFSA-N    		 O=C(NC1C(O)C(O)C(OC1OCC\N=[N+]=[N-])CO)C
    ; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H
    ]1OCCN=[N+]=[N-])CO)O)O; CC(=O)N[CH]1[CH
    ](O)[CH](O)[CH](CO)O[CH]1OCCN=[N+]=[N-];
    CC(=O)NC1C(C(C(OC1OCCN=[N+]=[N-])CO)O)O
    ; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](
    CO)O[C@H]1OCCN=[N+]=[N-]    		 2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
    2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside;
    2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucoside;
    2-azidoethyl 2-acetamido-2-deoxy-D-glucoside;
    2-azidoethyl 2-acetamido-2-deoxy-glucoside
    44843 Z3R
    CHEMBL2069711
    ZINC000038247838    		 2 C11 H8 N2 O2 S3 InChI=1S/C11H8N2O2S3/c12-
    18(14,15)10-5-7(6-16-10)1
    1-13-8-3-1-2-4-9(8)17-11/
    h1-6H,(H2,12,14,15);
    GKGZVFYMXSXLJJ-UHFFFAOYSA-N    		 N[S](=O)(=O)c1scc(c1)c2sc3ccccc3n2; O=S(
    =O)(N)c3scc(c1nc2ccccc2s1)c3; c1ccc2c(c1
    )nc(s2)c3cc(sc3)S(=O)(=O)N    		 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
    44844 Z3U
    ZINC000003860367    		 0 C6 H12 O4 InChI=1S/C6H12O4/c1-3-6(9
    )4(7)2-5(8)10-3/h3-9H,2H2
    ,1H3/t3-,4+,5-,6-/m1/s1;
    FDWRIIDFYSUTDP-JGWLITMVSA-N    		 OC1C(OC(O)CC1O)C; C[CH]1O[CH](O)C[CH](O)
    [CH]1O; C[C@@H]1[C@H]([C@H](C[C@@H](O1)O
    )O)O; C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1O
    ; CC1C(C(CC(O1)O)O)O    		 beta-D-Digitoxopyranose;
    beta-D-Digitoxose;
    2,6-dideoxy-beta-D-ribo-hexopyranose;
    2,6-dideoxy-beta-D-allopyranose;
    2,6-dideoxy-beta-D-altropyranose;
    D-Digitoxose;
    Digitoxose
    44845 Z3V 1 C4 H11 N S InChI=1S/C4H11NS/c1-2-5-3
    -4-6/h5-6H,2-4H2,1H3;
    KMTRYVQPHVFAFJ-UHFFFAOYSA-N    		 CCNCCS 2-(ethylamino)ethane-1-thiol
    44846 Z41
    CHEMBL87852
    ZINC000040164684    		 13 C35 H68 O5 InChI=1S/C35H68O5/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-27-29-34(37)39-32-33(3
    1-36)40-35(38)30-28-26-24
    -22-20-18-16-14-12-10-8-6
    -4-2/h33,36H,3-32H2,1-2H3
    /t33-/m0/s1;
    JEJLGIQLPYYGEE-XIFFEERXSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
    CCCCCCCC; O=C(OC(CO)COC(=O)CCCCCCCCCCCCC
    CC)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)
    OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC; CCCCCC
    CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCC
    CCCCC    		 (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
    44847 Z46 1 C11 H18 N4 O InChI=1S/C11H18N4O/c1-2-3
    -7-4-5-9-8(6-7)10(15-14-9
    )11(16)13-12/h7H,2-6,12H2
    ,1H3,(H,13,16)(H,14,15)/t
    7-/m1/s1;
    WRCCTRXGCPABER-SSDOTTSWSA-N    		 CCC[CH]1CCc2[nH]nc(C(=O)NN)c2C1; CCC[C@@
    H]1CCc2[nH]nc(C(=O)NN)c2C1; CCC[C@@H]1CC
    c2c(c(n[nH]2)C(=O)NN)C1; O=C(c1nnc2c1CC(
    CC2)CCC)NN; CCCC1CCc2c(c(n[nH]2)C(=O)NN)
    C1    		 (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
    44848 Z47 2 C19 H24 O5 InChI=1S/C19H24O5/c20-11-
    16-18(22)19(23)17(21)15(2
    4-16)10-4-8-13-7-3-6-12-5
    -1-2-9-14(12)13/h1-3,5-7,
    9,15-23H,4,8,10-11H2/t15-
    ,16+,17+,18-,19+/m0/s1;
    RCVLTURVGCLYEX-BRIYLRKRSA-N    		 OC[CH]1O[CH](CCCc2cccc3ccccc23)[CH](O)[C
    H](O)[CH]1O; OC[C@H]1O[C@@H](CCCc2cccc3c
    cccc23)[C@H](O)[C@@H](O)[C@H]1O; c1ccc2c
    (c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C
    @H](O3)CO)O)O)O; c1ccc2c(c1)cccc2CCCC3C(
    C(C(C(O3)CO)O)O)O    		 (2R,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-[3-(NAPHTHALEN-1-YL)PROPYL]OXANE-3,4,5-TRIOL
    44849 Z48
    CHEMBL565459
    ZINC000044667946    		 3 C24 H23 N5 O2 InChI=1S/C24H23N5O2/c1-16
    -13-26-24(27-19-10-6-3-7-
    11-19)29-22(16)18-12-20(2
    5-14-18)23(31)28-21(15-30
    )17-8-4-2-5-9-17/h2-14,21
    ,25,30H,15H2,1H3,(H,28,31
    )(H,26,27,29)/t21-/m1/s1;
    PFHKAGAZRDERTK-OAQYLSRUSA-N    		 O=C(c3cc(c1nc(ncc1C)Nc2ccccc2)cn3)NC(c4c
    cccc4)CO; Cc1cnc(Nc2ccccc2)nc1c3c[nH]c(c
    3)C(=O)N[CH](CO)c4ccccc4; Cc1cnc(Nc2cccc
    c2)nc1c3c[nH]c(c3)C(=O)N[C@H](CO)c4ccccc
    4; Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3cc
    ccc3)Nc4ccccc4; Cc1cnc(nc1c2cc([nH]c2)C(
    =O)N[C@H](CO)c3ccccc3)Nc4ccccc4    		 N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
    44850 Z4I 2 C14 H13 F2 N5 O2 InChI=1S/C14H13F2N5O2/c15
    -11(16)13(23)21-20-12(22)
    10-7-18-14(19-8-10)17-6-9
    -4-2-1-3-5-9/h1-5,7-8,11H
    ,6H2,(H,20,22)(H,21,23)(H
    ,17,18,19);
    WAERNYVSQGAOPC-UHFFFAOYSA-N    		 c1ccc(cc1)CNc2ncc(cn2)C(=O)NNC(=O)C(F)F;
    FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1    		 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide
    44851 Z4K
    ZINC000141334033    		 1 C6 H12 O9 S InChI=1S/C6H12O9S/c7-1-2-
    3(8)4(9)5(6(10)14-2)15-16
    (11,12)13/h2-10H,1H2,(H,1
    1,12,13)/t2-,3-,4+,5-,6+/
    m1/s1;
    MOGKHCGKIJXABF-DVKNGEFBSA-N    		 C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)O)O; OC[C
    H]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH
    ]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O
    1)O)OS(=O)(=O)O)O)O)O; O=S(=O)(OC1C(O)C(
    O)C(OC1O)CO)O; OC[C@H]1O[C@H](O)[C@H](O[
    S](O)(=O)=O)[C@@H](O)[C@@H]1O    		 2-O-sulfo-alpha-D-glucopyranose;
    2-O-sulfo-alpha-D-glucose;
    2-O-sulfo-D-glucose;
    2-O-sulfo-glucose
    44852 Z4R 2 C7 H14 O5 S InChI=1S/C7H14O5S/c1-11-7
    -5(10)6(13)4(9)3(2-8)12-7
    /h3-10,13H,2H2,1H3/t3-,4-
    ,5+,6+,7+/m1/s1;
    ZMNMYNJXAVTLBM-VEIUFWFVSA-N    		 COC1C(C(C(C(O1)CO)O)S)O; CO[C@H]1O[C@H](
    CO)[C@@H](O)[C@H](S)[C@@H]1O; OC1C(S)C(O
    )C(OC1OC)CO; CO[C@@H]1[C@H]([C@H]([C@@H]
    ([C@H](O1)CO)O)S)O; CO[CH]1O[CH](CO)[CH]
    (O)[CH](S)[CH]1O    		 methyl 3-thio-alpha-D-mannopyranoside
    44853 Z4S 1 C8 H13 N O5 InChI=1S/C8H13NO5/c1-3(10
    )9-5-7(12)6(11)4-2-13-8(5
    )14-4/h4-8,11-12H,2H2,1H3
    ,(H,9,10)/t4-,5-,6-,7-,8-
    /m1/s1;
    PJFUEEUSPVNDFW-FMDGEEDCSA-N    		 O=C(NC2C(O)C(O)C1OC2OC1)C; CC(=O)N[C@@H]
    1[C@@H](O)[C@H](O)[C@H]2CO[C@@H]1O2; CC(
    =O)NC1C(C(C2COC1O2)O)O; CC(=O)N[C@@H]1[C
    @H]([C@@H]([C@H]2CO[C@@H]1O2)O)O; CC(=O)
    N[CH]1[CH](O)[CH](O)[CH]2CO[CH]1O2    		 1,6-anhydro-N-acetyl-beta-D-glucopyranosamine;
    N-[(1R,2S,3R,4R,5R)-2,3-bis(oxidanyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide;
    1,6-anhydro-N-acetyl-beta-D-glucosamine;
    1,6-anhydro-N-acetyl-D-glucosamine;
    1,6-anhydro-N-acetyl-glucosamine
    44854 Z4U 2 C6 H12 O4 S InChI=1S/C6H12O4S/c1-9-6-
    5(8)4(7)3(11)2-10-6/h3-8,
    11H,2H2,1H3/t3-,4+,5-,6+/
    m1/s1;
    YRXSBQDFUVBYAI-MOJAZDJTSA-N    		 CO[C@H]1OC[C@@H](S)[C@H](O)[C@H]1O; CO[C
    @@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O; OC1C
    (O)C(S)COC1OC; CO[CH]1OC[CH](S)[CH](O)[C
    H]1O; COC1C(C(C(CO1)S)O)O    		 methyl 4-thio-alpha-D-xylopyranoside
    44855 Z4V 0 C5 H10 O4 S InChI=1S/C5H10O4S/c6-3-2(
    10)1-9-5(8)4(3)7/h2-8,10H
    ,1H2/t2-,3-,4-,5-/m0/s1;
    MFDZOCXKSSGEBR-FCAWWPLPSA-N    		 OC1C(S)COC(O)C1O; O[C@H]1OC[C@H](S)[C@H]
    (O)[C@@H]1O; C1C(C(C(C(O1)O)O)O)S; O[CH]
    1OC[CH](S)[CH](O)[CH]1O; C1[C@@H]([C@@H]
    ([C@@H]([C@H](O1)O)O)O)S    		 4-thio-beta-L-ribopyranose
    44856 Z4W
    ZINC000001529213    		 0 C5 H10 O5 InChI=1S/C5H10O5/c6-2-1-1
    0-5(9)4(8)3(2)7/h2-9H,1H2
    /t2-,3+,4+,5-/m1/s1;
    SRBFZHDQGSBBOR-MGCNEYSASA-N    		 C1C(C(C(C(O1)O)O)O)O; C1[C@H]([C@@H]([C@
    @H]([C@@H](O1)O)O)O)O; O[CH]1CO[CH](O)[C
    H](O)[CH]1O; O[C@@H]1CO[C@@H](O)[C@@H](O
    )[C@H]1O; OC1C(O)COC(O)C1O    		 beta-D-lyxopyranose;
    beta-D-lyxose;
    D-lyxose;
    lyxose
    44857 Z4X
    ZINC000096430546    		 1 C11 H14 F N O2 InChI=1S/C11H14FNO2/c1-4-
    15-10-8(11(14)13(2)3)6-5-
    7-9(10)12/h5-7H,4H2,1-3H3;
    BFFKGZZBXHSQPZ-UHFFFAOYSA-N    		 CCOc1c(F)cccc1C(=O)N(C)C; CCOc1c(cccc1F)
    C(=O)N(C)C    		 2-ethoxy-3-fluoro-N,N-dimethylbenzamide
    44858 Z4Y 3 C6 H12 O5 S InChI=1S/C6H12O5S/c7-3-2(
    1-12)11-6(10)5(9)4(3)8/h2
    -10,12H,1H2/t2-,3-,4+,5+,
    6+/m1/s1;
    OMLRWUJGVBOYQP-PQMKYFCFSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)S; OC1C(O)C(OC(O)
    C1O)CS; O[C@H]1O[C@H](CS)[C@@H](O)[C@H](
    O)[C@@H]1O; O[CH]1O[CH](CS)[CH](O)[CH](O
    )[CH]1O; C([C@@H]1[C@H]([C@@H]([C@@H]([C
    @H](O1)O)O)O)O)S    		 6-thio-alpha-D-mannopyranose;
    6-thio-alpha-D-mannose;
    6-thio-D-mannose;
    6-thio-mannose
    44859 Z50 0 C16 H22 N4 O2 S2 InChI=1S/C16H22N4O2S2/c1-
    12-9-20(19-18-12)15-7-13(
    10-23-4-2-16(21)22)6-14(8
    -15)11-24-5-3-17/h6-9H,2-
    5,10-11,17H2,1H3,(H,21,22
    );
    PPTSONMLFVJRDH-UHFFFAOYSA-N    		 Cc1cn(nn1)c2cc(cc(c2)CSCCN)CSCCC(=O)O; C
    c1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2    		 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid;
    3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
    44860 Z53 28 C31 H35 F3 N4 O3 InChI=1S/C31H35F3N4O3/c1-
    3-20(2)28-29(40)36(18-22-
    17-21-9-4-5-10-23(21)25-1
    2-7-6-11-24(22)25)19-26-3
    7(16-13-27(39)38(26)28)30
    (41)35-15-8-14-31(32,33)3
    4/h4-7,9-12,17,20,26,28H,
    3,8,13-16,18-19H2,1-2H3,(
    H,35,41)/t20-,26+,28-/m0/
    s1;
    LRRHDBKPDZEZJJ-GFNGZDJJSA-N    		 CC[CH](C)[CH]1N2[CH](CN(Cc3cc4ccccc4c5cc
    ccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F; C
    C[C@H](C)[C@H]1C(=O)N(C[C@H]2N1C(=O)CCN2
    C(=O)NCCCC(F)(F)F)Cc3cc4ccccc4c5c3cccc5;
    CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCCCC
    (F)(F)F)Cc3cc4ccccc4c5c3cccc5; CC[C@H](C
    )[C@@H]1N2[C@H](CN(Cc3cc4ccccc4c5ccccc35
    )C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F    		 (6S,9aS)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide;
    2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
    44861 Z57
    CHEMBL1738941
    ZINC000066166910    		 1 C12 H15 Br O7 InChI=1S/C12H15BrO7/c13-5
    -2-6(15)4(1-7(5)16)12-11(
    19)10(18)9(17)8(3-14)20-1
    2/h1-2,8-12,14-19H,3H2/t8
    -,9-,10+,11-,12+/m1/s1;
    UXXJNKKJRCGMAK-ZIQFBCGOSA-N    		 c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@
    @H]([C@H](O2)CO)O)O)O; c1c(c(cc(c1O)Br)O
    )C2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH]([CH
    ](O)[CH](O)[CH]1O)c2cc(O)c(Br)cc2O; Brc1
    c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O; OC[C@
    H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc
    (O)c(Br)cc2O    		 (1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol
    44862 Z59
    ZINC000058650851    		 1 C19 H22 N2 O4 S InChI=1S/C19H22N2O4S/c22-
    16(18(24)20-12-14-8-5-11-
    26-14)17(23)19(25)21-10-4
    -9-15(21)13-6-2-1-3-7-13/
    h1-3,5-8,11,15-17,22-23H,
    4,9-10,12H2,(H,20,24)/t15
    -,16-,17-/m1/s1;
    IJWSOCHVNGQZGZ-BRWVUGGUSA-N    		 O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c2ccccc
    2)C(=O)NCc3sccc3; O[CH]([CH](O)C(=O)N1CC
    C[CH]1c2ccccc2)C(=O)NCc3sccc3; c1ccc(cc1
    )C2CCCN2C(=O)C(C(C(=O)NCc3cccs3)O)O; c1c
    cc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O
    )NCc3cccs3)O)O    		 (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide
    44863 Z5A
    DB03845    		 2 C20 H24 N10 O22 P5 InChI=1S/C20H29N10O22P5/c
    1-8-3-29(20(34)26-18(8)33
    )12-2-9(27-28-22)10(47-12
    )4-45-53(35,36)49-55(39,4
    0)51-57(43,44)52-56(41,42
    )50-54(37,38)46-5-11-14(3
    1)15(32)19(48-11)30-7-25-
    13-16(21)23-6-24-17(13)30
    /h3,6-7,9-12,14-15,19,31-
    32H,2,4-5H2,1H3,(H,35,36)
    (H,37,38)(H,39,40)(H,41,4
    2)(H,43,44)(H2,21,23,24)(
    H,26,33,34)/p-5/t9-,10+,1
    1+,12+,14+,15+,19+/m0/s1;
    QNIWSXQXLJIUJW-SLFMBYJQSA-I    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-]
    )OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(
    =O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O
    )N=[N+]=[N-]; CC1=CN([C@H]2C[C@H](N=[N+]
    =[N-])[C@@H](CO[P]([O-])(=O)O[P]([O-])(=
    O)O[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])
    (=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cn
    c5c(N)ncnc45)O2)C(=O)NC1=O; CC1=CN([CH]2
    C[CH](N=[N+]=[N-])[CH](CO[P]([O-])(=O)O[
    P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)
    O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O
    )n4cnc5c(N)ncnc45)O2)C(=O)NC1=O; CC1=CN(
    C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O
    )([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O
    -])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@
    H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]    		 P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE
    44864 Z5C
    ZINC000085222241    		 6 C6 H8 N2 O3 InChI=1S/C6H8N2O3/c1-10-3
    -4-2-5(6(7)9)8-11-4/h2H,3
    H2,1H3,(H2,7,9);
    XJISISZPFKFZEU-UHFFFAOYSA-N    		 COCc1cc(no1)C(=O)N; COCc1onc(c1)C(N)=O;
    O=C(N)c1cc(COC)on1    		 5-(methoxymethyl)-1,2-oxazole-3-carboxamide
    44865 Z5D 1 C24 H18 N4 O4 S InChI=1S/C24H18N4O4S/c29-
    23(30)20(14-19-8-4-5-9-22
    (19)28(31)32)26-27-24-25-
    21(15-33-24)18-12-10-17(1
    1-13-18)16-6-2-1-3-7-16/h
    1-13,15H,14H2,(H,25,27)(H
    ,29,30)/b26-20+;
    JKEOZOHBIPDTTJ-LHLOQNFPSA-N    		 OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc2scc(n
    2)c3ccc(cc3)c4ccccc4; OC(=O)/C(Cc1ccccc1
    [N+]([O-])=O)=N/Nc2scc(n2)c3ccc(cc3)c4cc
    ccc4; c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C
    (\Cc4ccccc4[N+](=O)[O-])/C(=O)O; c1ccc(c
    c1)c2ccc(cc2)c3csc(n3)NN=C(Cc4ccccc4[N+]
    (=O)[O-])C(=O)O; [O-][N+](=O)c1ccccc1C/C
    (=N\Nc1nc(cs1)c1ccc(cc1)c1ccccc1)C(=O)O    		 (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
    44866 Z5G
    CHEMBL1449663
    ZINC000002922863    		 3 C16 H14 Cl N O3 S InChI=1S/C16H14ClNO3S/c17
    -10-7-5-9(6-8-10)14(19)18
    -15-13(16(20)21)11-3-1-2-
    4-12(11)22-15/h5-8H,1-4H2
    ,(H,18,19)(H,20,21);
    DUJFDTGMUKWELI-UHFFFAOYSA-N    		 OC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Cl)cc3; C
    lc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)O; c1
    cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl    		 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
    44867 Z5H 1 C21 H25 N3 O S InChI=1S/C21H25N3OS/c1-16
    -7-9-17(10-8-16)21(11-3-4
    -12-21)20-22-19(25-23-20)
    15-24(2)14-18-6-5-13-26-1
    8/h5-10,13H,3-4,11-12,14-
    15H2,1-2H3;
    GPXYCFQNEZDPGQ-UHFFFAOYSA-N    		 Cc1ccc(cc1)C2(CCCC2)c3nc(on3)CN(C)Cc4ccc
    s4; CN(Cc1onc(n1)C2(CCCC2)c3ccc(C)cc3)Cc
    4sccc4; CN(Cc1nc(no1)C1(CCCC1)c1ccc(C)cc
    1)Cc1cccs1    		 N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine
    44868 Z5I 1 C11 H9 N O2 InChI=1S/C11H9NO2/c13-11(
    14)6-5-8-7-12-10-4-2-1-3-
    9(8)10/h1-7,12H,(H,13,14)
    /b6-5+;
    PLVPPLCLBIEYEA-AATRIKPKSA-N    		 c1ccc2c(c1)c(c[nH]2)C=CC(=O)O; c1ccc2c(c
    1)c(c[nH]2)/C=C/C(=O)O; OC(=O)C=Cc1c[nH]
    c2ccccc12; OC(=O)\C=C\c1c[nH]c2ccccc12    		 (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid
    44869 Z5J
    ZINC000002046819    		 0 C6 H12 O4 InChI=1S/C6H12O4/c1-3-6(9
    )4(7)2-5(8)10-3/h3-9H,2H2
    ,1H3/t3-,4-,5-,6-/m0/s1;
    FDWRIIDFYSUTDP-BXKVDMCESA-N    		 OC1C(OC(O)CC1O)C; C[CH]1O[CH](O)C[CH](O)
    [CH]1O; C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1
    O; C[C@H]1[C@@H]([C@H](CC(O1)O)O)O; CC1C
    (C(CC(O1)O)O)O    		 beta-L-Olivopyranose;
    beta-L-Olivose;
    2,6-dideoxy-beta-L-arabino-hexopyranose;
    2,6-dideoxy-beta-L-glucopyranose;
    2,6-dideoxy-beta-L-mannopyranose;
    2-deoxy-beta-L-quinovopyranose;
    2-deoxy-beta-L-rhamnoopyranose;
    L-Olivose;
    Olivose
    44870 Z5K
    CHEMBL3087815    		 3 C13 H19 F3 N2 O2 S InChI=1S/C13H19F3N2O2S/c1
    -3-18(4-2)9-8-17-21(19,20
    )12-7-5-6-11(10-12)13(14,
    15)16/h5-7,10,17H,3-4,8-9
    H2,1-2H3;
    LCVUXYUASXEIMC-UHFFFAOYSA-N    		 CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F; C
    CN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F;
    O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F    		 N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
    44871 Z5L
    ZINC000083291225    		 14 C7 H14 O5 S InChI=1S/C7H14O5S/c1-11-7
    -6(13)5(10)4(9)3(2-8)12-7
    /h3-10,13H,2H2,1H3/t3-,4-
    ,5+,6+,7+/m1/s1;
    VHSKYAXEXJLKPC-VEIUFWFVSA-N    		 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)
    O)O)S; CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](
    O)[C@@H]1S; CO[CH]1O[CH](CO)[CH](O)[CH](
    O)[CH]1S; SC1C(O)C(O)C(OC1OC)CO; COC1C(C
    (C(C(O1)CO)O)O)S    		 methyl 2-thio-alpha-D-mannopyranoside
    44872 Z5P
    CHEMBL4525447
    ZINC000002506148    		 4 C10 H11 N3 InChI=1S/C10H11N3/c11-8-9
    -4-1-2-5-10(9)13-7-3-6-12
    -13/h1-7H,8,11H2;
    SJMJUZRSTJBVPG-UHFFFAOYSA-N    		 n1cccn1c2c(cccc2)CN; c1ccc(c(c1)CN)n2ccc
    n2; NCc1ccccc1n2cccn2    		 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
    44873 Z5X 1 C20 H16 F7 N3 O3 InChI=1S/C20H16F7N3O3/c1-
    28-7-8-30(17(28)31)15-10-
    11(19(22,23)24)9-14(20(25
    ,26)27)16(15)33-18(32)29(
    2)13-5-3-12(21)4-6-13/h3-
    6,9-10H,7-8H2,1-2H3;
    OMLNQKKHSWHSNR-UHFFFAOYSA-N    		 CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc
    3)F)C(F)(F)F)C(F)(F)F; CN1CCN(C1=O)c2cc(
    cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F)
    (F)F; CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F
    )cc2)C(F)(F)F)C(F)(F)F)C1=O    		 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate
    44874 Z5Y 2 C24 H19 Cl2 F O3 InChI=1S/C24H19Cl2FO3/c1-
    13(22-19(25)9-10-20(26)24
    (22)27)30-17-8-6-14-2-3-1
    6(7-11-21(28)29)23(15-4-5
    -15)18(14)12-17/h2-3,6-13
    ,15H,4-5H2,1H3,(H,28,29)/
    b11-7+/t13-/m0/s1;
    JHFVJNXUDGWYLT-HJTPGIPUSA-N    		 Fc1c(Cl)ccc(Cl)c1C(C)Oc1cc2c(cc1)ccc(/C=
    C/C(=O)O)c2C1CC1; C[C@@H](c1c(ccc(c1F)Cl
    )Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O;
    C[C@H](Oc1ccc2ccc(\C=C\C(O)=O)c(C3CC3)c
    2c1)c4c(Cl)ccc(Cl)c4F; CC(c1c(ccc(c1F)Cl
    )Cl)Oc2ccc3ccc(c(c3c2)C4CC4)C=CC(=O)O; C
    [CH](Oc1ccc2ccc(C=CC(O)=O)c(C3CC3)c2c1)c
    4c(Cl)ccc(Cl)c4F    		 (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid
    44875 Z5Z
    ZINC000084286857    		 1 C9 H15 N3 O S InChI=1S/C9H15N3OS/c1-6-4
    -12(5-7(2)13-6)9-10-8(3)1
    1-14-9/h6-7H,4-5H2,1-3H3/
    t6-,7+;
    UXNQAHCNOXNZAL-KNVOCYPGSA-N    		 C[CH]1CN(C[CH](C)O1)c2snc(C)n2; Cc1nc(sn
    1)N2CC(OC(C2)C)C; Cc1nc(sn1)N2C[C@H](O[C
    @H](C2)C)C; C[C@H]1CN(C[C@@H](C)O1)c2snc
    (C)n2; Cc1nc(sn1)N1CC(C)OC(C)C1    		 (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
    44876 Z60
    CHEMBL2377859
    ZINC000001839490    		 1 C11 H10 Cl N3 O S2 InChI=1S/C11H10ClN3OS2/c1
    -2-5-14-11-15-10(13)9(18-
    11)8(16)6-3-4-7(12)17-6/h
    2-4H,1,5,13H2,(H,14,15);
    KOFQZAVTXLVRJI-UHFFFAOYSA-N    		 Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2; C=CCNc1
    nc(c(s1)C(=O)c2ccc(s2)Cl)N; Clc1sc(cc1)C
    (=O)c2sc(nc2N)NC\C=C    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
    44877 Z61
    CHEMBL4303562
    ZINC000003860328    		 4 C6 H12 O5 InChI=1S/C6H12O5/c7-2-4-6
    (10)3(8)1-5(9)11-4/h3-10H
    ,1-2H2/t3-,4-,5+,6+/m1/s1;
    PMMURAAUARKVCB-ZXXMMSQZSA-N    		 C1C(C(C(OC1O)CO)O)O; C1[C@H]([C@@H]([C@H
    ](O[C@@H]1O)CO)O)O; OC1C(OC(O)CC1O)CO; O
    C[CH]1O[CH](O)C[CH](O)[CH]1O; OC[C@H]1O[
    C@H](O)C[C@@H](O)[C@@H]1O    		 2-deoxy-alpha-D-arabino-hexopyranose;
    2-deoxy-alpha-D-glucopyranose;
    2-deoxy-alpha-D-mannopyranose
    44878 Z62
    CHEMBL2377863
    ZINC000002379970    		 1 C13 H12 N4 O3 S InChI=1S/C13H12N4O3S/c1-2
    -6-15-13-16-12(14)11(21-1
    3)10(18)8-4-3-5-9(7-8)17(
    19)20/h2-5,7H,1,6,14H2,(H
    ,15,16);
    LDOOUPSIRAPDLT-UHFFFAOYSA-N    		 [O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC\
    C=C; C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](
    =O)[O-])N; Nc1nc(NCC=C)sc1C(=O)c2cccc(c2
    )[N+]([O-])=O    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
    44879 Z63
    CHEMBL2377853
    ZINC000095920620    		 1 C12 H12 N4 O S InChI=1S/C12H12N4OS/c1-2-
    5-15-12-16-11(13)10(18-12
    )9(17)8-3-6-14-7-4-8/h2-4
    ,6-7H,1,5,13H2,(H,15,16);
    JYLDWTJXERPEGH-UHFFFAOYSA-N    		 Nc1nc(NCC=C)sc1C(=O)c2ccncc2; C=CCNc1nc(
    c(s1)C(=O)c2ccncc2)N; O=C(c1sc(nc1N)NC\C
    =C)c2ccncc2    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
    44880 Z64
    CHEMBL1236930
    ZINC000058650871    		 1 C18 H21 N7 O InChI=1S/C18H21N7O/c1-12-
    13(15(24-23-12)14-7-5-9-2
    6-14)6-3-4-8-25(2)18-16-1
    7(20-10-19-16)21-11-22-18
    /h5,7,9-11H,3-4,6,8H2,1-2
    H3,(H,23,24)(H,19,20,21,2
    2);
    PBUASXAIYKZEKU-UHFFFAOYSA-N    		 Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[n
    H]4)ncn3; CN(CCCCc1c(C)n[nH]c1c2occc2)c3
    ncnc4nc[nH]c34; n1c(c(c(n1)c2occc2)CCCCN
    (c4ncnc3ncnc34)C)C    		 N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
    44881 Z67
    ZINC000095920669    		 1 C16 H13 F2 N5 O3 S2 InChI=1S/C16H13F2N5O3S2/c
    17-10-2-1-3-11(18)12(10)2
    2-15(24)13-14(19)23-16(27
    -13)21-8-4-6-9(7-5-8)28(2
    0,25)26/h1-7H,19H2,(H,21,
    23)(H,22,24)(H2,20,25,26);
    FQEUBNKUJIJESK-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3
    )S(=O)(=O)N)N)F; Fc1cccc(F)c1NC(=O)c2sc(
    nc2N)Nc3ccc(cc3)S(=O)(=O)N; Nc1nc(Nc2ccc
    (cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F    		 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
    44882 Z68
    ZINC000095920697    		 1 C16 H18 N4 O3 S InChI=1S/C16H18N4O3S/c17-
    15-14(13(21)10-5-4-8-12(9
    -10)20(22)23)24-16(19-15)
    18-11-6-2-1-3-7-11/h4-5,8
    -9,11H,1-3,6-7,17H2,(H,18
    ,19);
    FLLZFUOEZYWLNJ-UHFFFAOYSA-N    		 Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([
    O-])=O; c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c
    (nc(s2)NC3CCCCC3)N; [O-][N+](=O)c1cccc(c
    1)C(=O)c2sc(nc2N)NC3CCCCC3    		 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
    44883 Z69 1 C72 H141 O24 P InChI=1S/C72H141O24P/c1-5
    -8-11-14-17-19-21-23-25-2
    7-29-35-41-46-57(75)89-51
    -55-60(78)62(80)67(85)72(
    93-55)95-69-65(83)63(81)6
    4(82)68(94-71-66(84)61(79
    )59(77)54(48-73)92-71)70(
    69)96-97(86,87)90-50-53(9
    1-58(76)47-42-37-30-28-26
    -24-22-20-18-15-12-9-6-2)
    49-88-56(74)45-40-36-32-3
    1-34-39-44-52(4)43-38-33-
    16-13-10-7-3/h52-85H,5-51
    H2,1-4H3,(H,86,87)/t52-,5
    3+,54-,55-,56-,57+,58-,59
    -,60+,61-,62-,63-,64+,65+
    ,66-,67-,68+,69-,70-,71-,
    72+/m0/s1;
    BAUIYLWUNSEMCF-OVJHHBNUSA-N    		 CCCCCCCCCCCCCCC[C@H](O)OC[C@@H]1O[C@H](O
    [C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O
    [C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]
    3O)[C@@H]2O[P](O)(=O)OC[C@@H](CO[C@H](O)
    CCCCCCCC[C@@H](C)CCCCCCCC)O[C@H](O)CCCCC
    CCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O; C
    CCCCCCCCCCCCCC[CH](O)OC[CH]1O[CH](O[CH]2
    [CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO
    )[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC
    [CH](CO[CH](O)CCCCCCCC[CH](C)CCCCCCCC)O[
    CH](O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]
    1O; CCCCCCCCCCCCCCCC(O)OCC1C(C(C(C(O1)OC
    2C(C(C(C(C2OP(=O)(O)OCC(COC(CCCCCCCCC(C)
    CCCCCCCC)O)OC(CCCCCCCCCCCCCCC)O)OC3C(C(C
    (C(O3)CO)O)O)O)O)O)O)O)O)O; O=P(OCC(OC(O
    )CCCCCCCCCCCCCCC)COC(O)CCCCCCCCC(C)CCCCC
    CCC)(O)OC3C(OC1OC(C(O)C(O)C1O)COC(O)CCCC
    CCCCCCCCCCC)C(O)C(O)C(O)C3OC2OC(CO)C(O)C
    (O)C2O; CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[
    C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H
    ]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)O
    C[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCC
    CC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C
    @H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O
    )O)O)O
    44884 Z6F 1 C19 H26 Cl F N4 O3 InChI=1S/C19H26ClFN4O3/c1
    -23-4-6-24(7-5-23)19(28)2
    5-10-13(12-26)8-14(11-25)
    18(27)22-15-2-3-16(20)17(
    21)9-15/h2-3,9,13-14,26H,
    4-8,10-12H2,1H3,(H,22,27)
    /t13-,14+/m1/s1;
    YJQIDERPUXKPOK-KGLIPLIRSA-N    		 CN1CCN(CC1)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c
    (c3)F)Cl)CO; CN1CCN(CC1)C(=O)N2C[CH](CO)
    C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3; CN1CCN(C
    C1)C(=O)N2C[C@H](CO)C[C@@H](C2)C(=O)Nc3c
    cc(Cl)c(F)c3; O=C(N1CCN(C)CC1)N1CC(CC(CO
    )C1)C(=O)Nc1ccc(Cl)c(F)c1; CN1CCN(CC1)C(
    =O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(c(c3
    )F)Cl)CO    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide
    44885 Z6G 0 C6 H14 N O3 InChI=1S/C6H13NO3/c1-3-6(
    9)4(7)2-5(8)10-3/h3-6,8-9
    H,2,7H2,1H3/p+1/t3-,4-,5+
    ,6-/m0/s1;
    BBMKQGIZNKEDOX-AZGQCCRYSA-O    		 CC1C(C(CC(O1)O)[NH3+])O; C[C@H]1[C@@H]([
    C@H](C[C@@H](O1)O)[NH3+])O; C[CH]1O[CH](
    O)C[CH]([NH3+])[CH]1O; C[C@@H]1O[C@@H](O
    )C[C@H]([NH3+])[C@H]1O; OC1C(OC(O)CC1[NH
    3+])C    		 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose
    44886 Z6H
    ZINC000000896167    		 2 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4-,5+,6+/m
    0/s1;
    WQZGKKKJIJFFOK-FQJSGBEDSA-N    		 OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H
    ]1O; C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[
    C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O;
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1
    C(O)C(OC(O)C1O)CO    		 alpha-L-altropyranose;
    alpha-L-altrose;
    L-altrose;
    altrose
    44887 Z6I
    ZINC000082403329    		 1 C9 H15 N3 InChI=1S/C9H15N3/c1-7-9(6
    -11-12-7)8-2-4-10-5-3-8/h
    6,8,10H,2-5H2,1H3,(H,11,1
    2);
    RUDBDQGQYSXYGD-UHFFFAOYSA-N    		 Cc1[nH]ncc1C2CCNCC2; Cc1c(cn[nH]1)C2CCNC
    C2; Cc1[NH]ncc1C1CCNCC1    		 4-(5-methyl-1H-pyrazol-4-yl)piperidine
    44888 Z6J
    ZINC000000895052    		 5 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4-,5+/m0/s1;
    HMFHBZSHGGEWLO-NEEWWZBLSA-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(
    C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](
    O)[CH]1O; OC1C(OC(O)C1O)CO    		 alpha-L-ribofuranose;
    alpha-L-ribose;
    L-ribose;
    ribose
    44889 Z6P
    CHEMBL4869882    		 1 C24 H22 F2 N4 O3 InChI=1S/C24H22F2N4O3/c1-
    12-6-18(30-24(33)21(31)13
    -7-15(25)10-16(26)8-13)4-
    5-19(12)14-9-20(22(27)28-
    11-14)23(32)29-17-2-3-17/
    h4-11,17,21,31H,2-3H2,1H3
    ,(H2,27,28)(H,29,32)(H,30
    ,33)/t21-/m1/s1;
    ZAEWPVUVQVUGEE-OAQYLSRUSA-N    		 Cc1cc(NC(=O)[CH](O)c2cc(F)cc(F)c2)ccc1c3
    cnc(N)c(c3)C(=O)NC4CC4; O=C(NC1CC1)c1cc(
    cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1
    C; Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC
    (=O)[C@@H](c4cc(cc(c4)F)F)O; Cc1cc(NC(=O
    )[C@H](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3
    )C(=O)NC4CC4; Cc1cc(ccc1c2cc(c(nc2)N)C(=
    O)NC3CC3)NC(=O)C(c4cc(cc(c4)F)F)O    		 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
    44890 Z6V
    CHEMBL5095202
    DB17520    		 1 C23 H25 N7 O2 InChI=1S/C23H25N7O2/c1-14
    (2)27-23-25-12-18(22(31)3
    0(23)5)19-6-7-21(15(3)28-
    19)32-17-8-9-24-20(10-17)
    16-11-26-29(4)13-16/h6-14
    H,1-5H3,(H,25,27);
    TVGAHWWPABTBCX-UHFFFAOYSA-N    		 Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC(
    C)C)N(C)C2=O)c1; Cc1c(ccc(n1)C2=CN=C(N(C
    2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C; CC(C
    )NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cn
    n(C)c4)c(C)n2    		 Vimseltinib;
    3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one
    44891 Z6W 1 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-10(16)8-11-12(17)
    13(18)14(19,9-15)20-11/h1
    0-13,15-19H,2-9H2,1H3/t10
    -,11-,12-,13+,14-/m1/s1;
    ACFOUPJNYNVPQE-XGFWRYKXSA-N    		 CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(C
    O)O)O)O)O; OC1C(O)C(OC1(O)CO)CC(O)CCCCCC
    C; CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C
    @@H](O)[C@@H]1O; CCCCCCCC(CC1C(C(C(O1)(C
    O)O)O)O)O; CCCCCCC[CH](O)C[CH]1O[C](O)(C
    O)[CH](O)[CH]1O    		 (5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
    44892 Z6X
    ZINC000032838976    		 2 C14 H26 O3 InChI=1S/C14H26O3/c1-2-3-
    4-5-6-7-8-9-10-11-13(15)1
    2-14(16)17/h2-12H2,1H3,(H
    ,16,17);
    XLKOZYOVXNPWGT-UHFFFAOYSA-N    		 O=C(CCCCCCCCCCC)CC(=O)O; CCCCCCCCCCCC(=O
    )CC(O)=O; CCCCCCCCCCCC(=O)CC(=O)O    		 3-oxotetradecanoic acid
    44893 Z70
    CHEMBL1099168
    ZINC000049089469    		 2 C7 H12 N4 O2 InChI=1S/C7H12N4O2/c8-5(6
    (12)13)2-1-4-3-10-7(9)11-
    4/h3,5H,1-2,8H2,(H,12,13)
    (H3,9,10,11)/t5-/m0/s1;
    FXIIKDXCDODGRI-YFKPBYRVSA-N    		 N[C@@H](CCc1[nH]c(N)nc1)C(O)=O; O=C(O)C(
    N)CCc1cnc(N)n1; c1c([nH]c(n1)N)CC[C@@H](
    C(=O)O)N; N[CH](CCc1[nH]c(N)nc1)C(O)=O;
    c1c([nH]c(n1)N)CCC(C(=O)O)N    		 (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid;
    2-aminohomohistidine
    44894 Z71
    ZINC000095920773    		 1 C16 H13 F2 N5 O3 S2 InChI=1S/C16H13F2N5O3S2/c
    17-8-5-9(18)7-11(6-8)21-1
    5(24)13-14(19)23-16(27-13
    )22-10-1-3-12(4-2-10)28(2
    0,25)26/h1-7H,19H2,(H,21,
    24)(H,22,23)(H2,20,25,26);
    XTIMXWZYVZMPGC-UHFFFAOYSA-N    		 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc
    3cc(F)cc(F)c3; c1cc(ccc1Nc2nc(c(s2)C(=O)
    Nc3cc(cc(c3)F)F)N)S(=O)(=O)N; Fc1cc(cc(F
    )c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)
    N    		 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
    44895 Z72
    CHEMBL1096812
    ZINC000100103896    		 8 C20 H18 Cl2 N2 O4 InChI=1S/C20H18Cl2N2O4/c1
    -26-16-7-6-12-15(24-18-13
    (21)9-23-10-14(18)22)8-17
    (25)28-19(12)20(16)27-11-
    4-2-3-5-11/h6-11H,2-5H2,1
    H3,(H,23,24);
    YUTTWVBLGONANE-UHFFFAOYSA-N    		 COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)c
    ncc4Cl; COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2N
    c4c(cncc4Cl)Cl; Clc1cncc(Cl)c1NC=2c4c(OC
    (=O)C=2)c(OC3CCCC3)c(OC)cc4    		 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one
    44896 Z73
    CHEMBL1086110
    ZINC000043206679    		 5 C15 H18 N4 O InChI=1S/C15H18N4O/c1-5-6
    -12-17-10(3)14-9(2)16-11-
    7-8-13(20-4)18-15(11)19(1
    2)14/h7-8H,5-6H2,1-4H3;
    YNADXFWEXJTQSZ-UHFFFAOYSA-N    		 n2c1c(nc(OC)cc1)n3c(c2C)c(nc3CCC)C; CCCc
    1nc(C)c2n1c3nc(OC)ccc3nc2C; CCCc1nc(c2n1
    c3c(ccc(n3)OC)nc2C)C    		 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
    44897 Z74
    CHEMBL1097319
    ZINC000049784328    		 2 C34 H42 F2 N4 O5 S InChI=1S/C34H42F2N4O5S/c1
    -4-12-39(13-5-2)34(43)26-
    16-23(3)15-25(20-26)33(42
    )38-30(19-24-17-27(35)21-
    28(36)18-24)32(41)31-22-4
    0(14-11-37-31)46(44,45)29
    -9-7-6-8-10-29/h6-10,15-1
    8,20-21,30-32,37,41H,4-5,
    11-14,19,22H2,1-3H3,(H,38
    ,42)/t30-,31+,32-/m0/s1;
    KDRUCCZCGHVXGH-QAXCHELISA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CN(CCN3)S(=O)(=O)c4ccccc4)O
    )C; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H
    ](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN
    3)S(=O)(=O)c4ccccc4)O)C; O=S(=O)(c1ccccc
    1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(C
    CC)CCC)c3)C)Cc4cc(F)cc(F)c4; CCCN(CCC)C(
    =O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)
    c2)[CH](O)[CH]3CN(CCN3)[S](=O)(=O)c4cccc
    c4; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@
    @H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]3CN(CCN
    3)[S](=O)(=O)c4ccccc4    		 N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
    44898 Z75
    CHEMBL1097356
    ZINC000049783893    		 2 C35 H44 F2 N4 O3 InChI=1S/C35H44F2N4O3/c1-
    4-12-41(13-5-2)35(44)28-1
    6-24(3)15-27(20-28)34(43)
    39-31(19-26-17-29(36)21-3
    0(37)18-26)33(42)32-23-40
    (14-11-38-32)22-25-9-7-6-
    8-10-25/h6-10,15-18,20-21
    ,31-33,38,42H,4-5,11-14,1
    9,22-23H2,1-3H3,(H,39,43)
    /t31-,32+,33-/m0/s1;
    ZHZSBUKNHGZRTJ-DSPMFFIESA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CN(CCN3)Cc4ccccc4)O)C; CCCN
    (CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(
    cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccc
    cc4)O)C; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O
    )N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CC
    N3)Cc4ccccc4; CCCN(CCC)C(=O)c1cc(C)cc(c1
    )C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C
    @H]3CN(CCN3)Cc4ccccc4    		 N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
    44899 Z76
    CHEMBL1097342
    ZINC000049802648    		 2 C35 H42 F2 N4 O6 S InChI=1S/C35H42F2N4O6S/c1
    -22-6-4-8-30(14-22)48(45,
    46)40-11-9-38-32(20-40)33
    (42)31(17-24-15-27(36)19-
    28(37)16-24)39-34(43)25-1
    2-23(2)13-26(18-25)35(44)
    41-10-5-7-29(41)21-47-3/h
    4,6,8,12-16,18-19,29,31-3
    3,38,42H,5,7,9-11,17,20-2
    1H2,1-3H3,(H,39,43)/t29-,
    31+,32-,33+/m1/s1;
    CQQMWBPWYUPVOC-PPESYSCFSA-N    		 Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@
    H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c
    4)C(=O)N5CCC[C@@H]5COC)C)O; COC[CH]1CCCN
    1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc
    (F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5c
    ccc(C)c5; COC[C@H]1CCCN1C(=O)c2cc(C)cc(c
    2)C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[
    C@H]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5; Cc1
    cccc(c1)S(=O)(=O)N2CCNC(C2)C(C(Cc3cc(cc(
    c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCCC5COC)
    C)O    		 N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
    44900 Z77
    CHEMBL1236932
    ZINC000000920091    		 2 C22 H25 N3 O3 S InChI=1S/C22H25N3O3S/c1-1
    4-9-16-11-17(21(27)24-20(
    16)10-15(14)2)13-25(7-8-2
    6)22(29)23-18-5-4-6-19(12
    -18)28-3/h4-6,9-12,26H,7-
    8,13H2,1-3H3,(H,23,29)(H,
    24,27);
    ANZIHXJDZSQUFB-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3
    cccc(c3)OC; COc1cccc(NC(=S)N(CCO)CC2=Cc3
    cc(C)c(C)cc3NC2=O)c1    		 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
    44901 Z78
    CHEMBL1236933
    ZINC000001353006    		 2 C20 H20 F N3 O3 InChI=1S/C20H20FN3O3/c1-1
    3-6-7-17-14(10-13)11-15(1
    9(26)22-17)12-24(8-9-25)2
    0(27)23-18-5-3-2-4-16(18)
    21/h2-7,10-11,25H,8-9,12H
    2,1H3,(H,22,26)(H,23,27);
    IZEKTGGQNDYMPR-UHFFFAOYSA-N    		 Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccc
    cc3F; Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=
    O)Nc3ccccc3F    		 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
    44902 Z79
    CHEMBL83508
    ZINC000010450351    		 2 C9 H12 N2 O5 S InChI=1S/C9H12N2O5S/c1-16
    -7-2-4-8(5-3-7)17(14,15)1
    0-6-9(12)11-13/h2-5,10,13
    H,6H2,1H3,(H,11,12);
    WLZISXXOYYGJNT-UHFFFAOYSA-N    		 COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO; COc1cc
    c(cc1)S(=O)(=O)NCC(=O)NO    		 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
    44903 Z7D
    CHEMBL4644629    		 1 C24 H23 F O3 S InChI=1S/C24H23FO3S/c25-2
    1-10-14-23(15-11-21)29(26
    ,27)24(16-4-5-17-24)20-8-
    12-22(13-9-20)28-18-19-6-
    2-1-3-7-19/h1-3,6-15H,4-5
    ,16-18H2;
    IXMWLTXJOWOLAW-UHFFFAOYSA-N    		 Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc
    4ccccc4)cc3; c1ccc(cc1)COc2ccc(cc2)C3(CC
    CC3)S(=O)(=O)c4ccc(cc4)F; c2c(OCc1ccccc1
    )ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O    		 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
    44904 Z7F 1 C33 H32 Cl F2 N O6 S InChI=1S/C33H32ClF2NO6S/c
    34-28-2-1-3-29(36)26(28)1
    9-43-24-11-14-27-22(18-24
    )8-15-30-33(27,44(41,42)2
    5-12-9-23(35)10-13-25)16-
    17-37(30)31(38)20-4-6-21(
    7-5-20)32(39)40/h1-3,9-14
    ,18,20-21,30H,4-8,15-17,1
    9H2,(H,39,40)/t20-,21-,30
    -,33-/m1/s1;
    MWCCYYVYYDJWMW-KYNBKCAXSA-N    		 c1cc(c(c(c1)Cl)COc2ccc3c(c2)CCC4C3(CCN4C
    (=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)
    F)F; c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H
    ]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(
    =O)c6ccc(cc6)F)F; c2(OCc1c(cccc1F)Cl)cc3
    c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O
    )O)S(c6ccc(cc6)F)(=O)=O; OC(=O)[CH]1CC[C
    H](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(OCc5c(F
    )cccc5Cl)ccc34)[S](=O)(=O)c6ccc(F)cc6; O
    C(=O)[C@H]1CC[C@@H](CC1)C(=O)N2CC[C@@]3(
    [C@H]2CCc4cc(OCc5c(F)cccc5Cl)ccc34)[S](=
    O)(=O)c6ccc(F)cc6    		 trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
    44905 Z7G
    CHEMBL4797657
    ZINC000038287605    		 1 C17 H18 Cl2 O3 InChI=1S/C17H18Cl2O3/c1-1
    0(2)13-8-12(4-5-16(13)21-
    3)22-17-14(18)6-11(9-20)7
    -15(17)19/h4-8,10,20H,9H2
    ,1-3H3;
    YJBUGSRJCVSLKC-UHFFFAOYSA-N    		 COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C; c1
    (c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC;
    CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl    		 {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
    44906 Z7H
    CHEMBL4784974    		 1 C23 H22 Cl2 N2 O3 InChI=1S/C23H22Cl2N2O3/c1
    -14(2)18-12-17(6-7-21(18)
    29-3)30-23-19(24)10-16(11
    -20(23)25)27-22(28)9-15-5
    -4-8-26-13-15/h4-8,10-14H
    ,9H2,1-3H3,(H,27,28);
    NSQNWKUVCNRXBW-UHFFFAOYSA-N    		 CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3
    cccnc3)Cl; COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3c
    ccnc3)cc2Cl)cc1C(C)C; c1(cnccc1)CC(Nc3cc
    (c(Oc2ccc(c(c2)C(C)C)OC)c(c3)Cl)Cl)=O    		 N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide
    44907 Z7I
    CHEMBL4796044    		 1 C23 H29 Cl2 N3 O5 S InChI=1S/C23H29Cl2N3O5S/c
    1-14(2)18-12-17(13-26-23(
    18)32-3)33-22-19(24)10-16
    (11-20(22)25)27-21(29)9-1
    5-5-7-28(8-6-15)34(4,30)3
    1/h10-15H,5-9H2,1-4H3,(H,
    27,29);
    CMWKFXBFRJPOBS-UHFFFAOYSA-N    		 c1(c(ncc(c1)Oc2c(Cl)cc(cc2Cl)NC(=O)CC3CC
    N(S(C)(=O)=O)CC3)OC)C(C)C; CC(C)c1cc(cnc
    1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)
    (=O)C)Cl; COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CC
    N(CC3)[S](C)(=O)=O)cc2Cl)cc1C(C)C    		 N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide
    44908 Z7N 1 C21 H30 Cl F N4 O3 InChI=1S/C21H30ClFN4O3/c1
    -13-8-26(9-14(2)25(13)3)2
    1(30)27-10-15(12-28)6-16(
    11-27)20(29)24-17-4-5-18(
    22)19(23)7-17/h4-5,7,13-1
    6,28H,6,8-12H2,1-3H3,(H,2
    4,29)/t13-,14+,15-,16+/m1
    /s1;
    ICLRAUCRFDHWBU-QXSJWSMHSA-N    		 CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)C(=O)Nc3c
    cc(c(c3)F)Cl)CO; C[C@@H]1CN(C[C@@H](N1C)
    C)C(=O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(
    c(c3)F)Cl)CO; C[CH]1CN(C[CH](C)N1C)C(=O)
    N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c
    3; C[C@@H]1CN(C[C@H](C)N1C)C(=O)N2C[C@H]
    (CO)C[C@@H](C2)C(=O)Nc3ccc(Cl)c(F)c3; CC
    1CN(CC(C)N1C)C(=O)N1CC(CC(CO)C1)C(=O)Nc1
    ccc(Cl)c(F)c1    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide
    44909 Z7P 8 C23 H33 N4 O20 P3 InChI=1S/C23H33N4O20P3/c1
    -9-16(29)12(11(5-24-9)7-4
    2-48(35,36)37)6-25-15-10(
    2)44-22(20(33)18(15)31)46
    -50(40,41)47-49(38,39)43-
    8-13-17(30)19(32)21(45-13
    )27-4-3-14(28)26-23(27)34
    /h3-6,10,13,15,17-22,29-3
    3H,7-8H2,1-2H3,(H,38,39)(
    H,40,41)(H,26,28,34)(H2,3
    5,36,37)/b25-6+/t10-,13-,
    15-,17-,18+,19-,20-,21-,2
    2-/m1/s1;
    YCGRRMXEGFNOLB-XUIBUIKDSA-N    		 O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O
    )OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3
    O)C(O)C2O)C(O)C1O; 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)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)
    [C@@H]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O; C
    c1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)
    O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(
    =O)NC4=O)O)O)C)O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H
    ]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([
    C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O;
    C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH
    ](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O
    )(O)=O    		 (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    44910 Z7S 1 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    4)10-7-5(2-12)11-6(3-13)8
    (15)9(7)16/h5-9,11-13,15-
    16H,2-3H2,1H3,(H,10,14)/t
    5-,6-,7+,8-,9-/m1/s1;
    GYKHMAHAJKZLAT-SYHAXYEDSA-N    		 CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[C@H
    ]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO;
    CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1
    CO; OC1C(O)C(NC(C)=O)C(CO)NC1CO; CC(=O)N
    [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N[C@@H
    ]1CO    		 N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
    44911 Z7T 1 C11 H15 N3 O InChI=1S/C11H15N3O/c12-11
    (15)8-5-6-13-10(7-8)14-9-
    3-1-2-4-9/h5-7,9H,1-4H2,(
    H2,12,15)(H,13,14);
    VCDXBFXIABGZKP-UHFFFAOYSA-N    		 NC(=O)c1ccnc(NC2CCCC2)c1; c1cnc(cc1C(=O)
    N)NC2CCCC2    		 2-(cyclopentylamino)pyridine-4-carboxamide
    44912 Z7Z
    CHEMBL107057
    ZINC000000157472    		 2 C13 H10 O2 InChI=1S/C13H10O2/c14-13(
    15)12-8-6-11(7-9-12)10-4-
    2-1-3-5-10/h1-9H,(H,14,15
    );
    NNJMFJSKMRYHSR-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc(
    cc1)c2ccccc2; O=C(O)c2ccc(c1ccccc1)cc2    		 biphenyl-4-carboxylic acid
    44913 Z80
    CHEMBL71
    DB00477
    ZINC000000044027    		 25 C17 H19 Cl N2 S InChI=1S/C17H19ClN2S/c1-1
    9(2)10-5-11-20-14-6-3-4-7
    -16(14)21-17-9-8-13(18)12
    -15(17)20/h3-4,6-9,12H,5,
    10-11H2,1-2H3;
    ZPEIMTDSQAKGNT-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13; CN(C)C
    CCN1c2ccccc2Sc3c1cc(cc3)Cl    		 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine;
    Chlorpromazine
    44914 Z81
    CHEMBL1092788
    ZINC000049070014    		 1 C21 H16 F2 N4 O InChI=1S/C21H16F2N4O/c1-2
    7-19(28)21(26-20(27)24,14
    -7-9-25-10-8-14)15-4-2-3-
    13(11-15)17-12-16(22)5-6-
    18(17)23/h2-12H,1H3,(H2,2
    4,26)/t21-/m1/s1;
    RKYFABJLGJZOBA-OAQYLSRUSA-N    		 CN1C(=N[C@](C1=O)(c2ccncc2)c3cccc(c3)c4c
    c(F)ccc4F)N; CN1C(=N[C](C1=O)(c2ccncc2)c
    3cccc(c3)c4cc(F)ccc4F)N; CN1C(=O)C(N=C1N
    )(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F; CN1C(
    =O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(
    ccc4F)F    		 (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one;
    4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
    44915 Z82
    CHEMBL22051
    ZINC000000388063    		 9 C7 H5 Br O2 InChI=1S/C7H5BrO2/c8-6-3-
    1-5(2-4-6)7(9)10/h1-4H,(H
    ,9,10);
    TUXYZHVUPGXXQG-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)Br; OC(=O)c1ccc(Br)cc1 4-bromobenzoic acid
    44916 Z83
    CHEMBL1738942
    ZINC000066156453    		 1 C19 H21 N5 O3 S InChI=1S/C19H21N5O3S/c1-1
    9(2,3)14-11-15(21-17(27)2
    2-18-20-8-9-28-18)24(23-1
    4)13-6-4-12(5-7-13)10-16(
    25)26/h4-9,11H,10H2,1-3H3
    ,(H,25,26)(H2,20,21,22,27
    );
    RBPOVRMRESQJOZ-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(C
    C(O)=O)cc3; CC(C)(C)c1cc(n(n1)c2ccc(cc2)
    CC(=O)O)NC(=O)Nc3nccs3    		 (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid;
    2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
    44917 Z84
    CHEMBL1738943
    ZINC000066156894    		 1 C26 H30 N6 O2 S InChI=1S/C26H30N6O2S/c1-1
    8-5-7-21(8-6-18)32-23(15-
    22(31-32)26(2,3)4)29-24(3
    3)30-25-28-20(17-35-25)11
    -14-34-16-19-9-12-27-13-1
    0-19/h5-10,12-13,15,17H,1
    1,14,16H2,1-4H3,(H2,28,29
    ,30,33);
    DZVQBRGQNWDWIG-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4cc
    ncc4)n3)C(C)(C)C; Cc1ccc(cc1)n2c(cc(n2)C
    (C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea;
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea
    44918 Z85
    CHEMBL1738944
    ZINC000066156896    		 1 C27 H31 N5 O2 S InChI=1S/C27H31N5O2S/c1-1
    9-10-12-22(13-11-19)32-24
    (16-23(31-32)27(2,3)4)29-
    25(33)30-26-28-21(18-35-2
    6)14-15-34-17-20-8-6-5-7-
    9-20/h5-13,16,18H,14-15,1
    7H2,1-4H3,(H2,28,29,30,33
    );
    MZGQVTBIULKWER-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3n
    c(cs3)CCOCc4ccccc4; Cc1ccc(cc1)n2nc(cc2N
    C(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C    		 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea;
    1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
    44919 Z86
    CHEMBL1738945
    ZINC000066156898    		 1 C28 H31 N5 O4 S InChI=1S/C28H31N5O4S/c1-2
    8(2,3)23-16-24(33(32-23)2
    2-11-9-19(10-12-22)15-25(
    34)35)30-26(36)31-27-29-2
    1(18-38-27)13-14-37-17-20
    -7-5-4-6-8-20/h4-12,16,18
    H,13-15,17H2,1-3H3,(H,34,
    35)(H2,29,30,31,36);
    QUOWKTGPIJLRIN-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n
    2)n(n1)c4ccc(CC(O)=O)cc4; CC(C)(C)c1cc(n
    (n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CC
    OCc4ccccc4    		 (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid;
    2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid
    44920 Z87
    CHEMBL1738946
    ZINC000066156998    		 1 C18 H21 N5 O S InChI=1S/C18H21N5OS/c1-12
    -5-7-13(8-6-12)23-15(11-1
    4(22-23)18(2,3)4)20-16(24
    )21-17-19-9-10-25-17/h5-1
    1H,1-4H3,(H2,19,20,21,24);
    YHFISDMDEBLKPE-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C
    )C; Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)
    Nc3nccs3    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea;
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea
    44921 Z88
    ZINC000000242755    		 2 C8 H8 Br N O3 S InChI=1S/C8H8BrNO3S/c1-6(
    11)10-14(12,13)8-4-2-7(9)
    3-5-8/h2-5H,1H3,(H,10,11);
    GUSSBUVTIMQOBB-UHFFFAOYSA-N    		 CC(=O)NS(=O)(=O)c1ccc(cc1)Br; CC(=O)N[S]
    (=O)(=O)c1ccc(Br)cc1    		 N-[(4-bromophenyl)sulfonyl]acetamide
    44922 Z89
    ZINC000003077615    		 5 C15 H9 Br N2 O6 S2 InChI=1S/C15H9BrN2O6S2/c1
    6-5-1-2-7-6(3-5)10(12(21)
    17-7)11-13(22)18(15(25)26
    -11)8(14(23)24)4-9(19)20/
    h1-3,8H,4H2,(H,17,21)(H,1
    9,20)(H,23,24)/b11-10-/t8
    -/m1/s1;
    QGNRETMYLHRUBB-OZEWEUHLSA-N    		 c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O
    )O)C(=O)O)C(=O)N2; c1cc2c(cc1Br)/C(=C/3\
    C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=
    O)N2; OC(=O)C[C@@H](N1C(=S)SC(/C1=O)=C/2
    C(=O)Nc3ccc(Br)cc/23)C(O)=O; OC(=O)C[CH]
    (N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C
    (O)=O    		 (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid;
    N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
    44923 Z8A
    ZINC000087495993    		 7 C44 H89 N O4 InChI=1S/C44H89NO4/c1-3-5
    -7-9-11-13-15-17-18-19-20
    -21-22-23-24-25-26-27-29-
    31-33-35-37-39-43(48)45-4
    1(40-46)44(49)42(47)38-36
    -34-32-30-28-16-14-12-10-
    8-6-4-2/h41-42,44,46-47,4
    9H,3-40H2,1-2H3,(H,45,48)
    /t41-,42+,44-/m0/s1;
    GKRXVCWVXYHWOD-KZRDWULCSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(
    CCCCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCC
    CCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N
    [C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
    ; O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCC
    CCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC
    CCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCC
    CCCCCCCCCCC)O)O    		 N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
    44924 Z8B
    ZINC000081957324    		 3 C10 H11 Br N8 O3 InChI=1S/C10H11BrN8O3/c11
    -10-17-4-7(12)14-2-15-8(4
    )19(10)9-6(21)5(20)3(22-9
    )1-16-18-13/h2-3,5-6,9,20
    -21H,1H2,(H2,12,14,15)/t3
    -,5-,6-,9-/m1/s1;
    USVISQHKGJAQDS-UUOKFMHZSA-N    		 Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N
    -])N; Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])
    [CH](O)[CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c
    (n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[
    N+]=[N-])O)O)N; Nc1ncnc2n([C@@H]3O[C@H](
    CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12;
    c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+
    ]=[N-])O)O)N    		 5'-azido-8-bromo-5'-deoxyadenosine
    44925 Z8G
    CHEMBL4761772    		 1 C26 H25 F8 N O4 S InChI=1S/C26H25F8NO4S/c1-
    22(2,37)21(36)35-20-11-12
    -23(40(38,39)17-7-5-16(27
    )6-8-17)18-10-4-15(13-14(
    18)3-9-19(20)23)24(28,25(
    29,30)31)26(32,33)34/h4-8
    ,10,13,19-20,37H,3,9,11-1
    2H2,1-2H3,(H,35,36)/t19-,
    20+,23+/m0/s1;
    JZUVTKBHDNIOHD-MIZPHKNDSA-N    		 CC(C)(O)C(=O)N[CH]1CC[C]2([CH]1CCc3cc(cc
    c23)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4
    ccc(F)cc4; CC(C)(O)C(=O)N[C@@H]1CC[C@@]2
    ([C@H]1CCc3cc(ccc23)C(F)(C(F)(F)F)C(F)(F
    )F)[S](=O)(=O)c4ccc(F)cc4; CC(C)(C(=O)N[
    C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)
    (F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O;
    CC(C)(C(=O)NC1CCC2(C1CCc3c2ccc(c3)C(C(F
    )(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
    ; c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(
    C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(c
    c4)F)=O    		 N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide
    44926 Z8H
    ZINC000000896168    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4-,5-,6-/m
    0/s1;
    WQZGKKKJIJFFOK-GNFDWLABSA-N    		 C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O
    )O)O)O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@
    H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O;
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1
    C(O)C(OC(O)C1O)CO    		 beta-L-gulopyranose;
    beta-L-gulose;
    L-gulose;
    gulose
    44927 Z8I
    CHEMBL4782326    		 1 C30 H29 F9 N2 O5 S InChI=1S/C30H29F9N2O5S/c1
    -26(2,44)15-41-22(14-21(3
    2)24(41)42)25(43)40-12-11
    -27(47(45,46)19-7-5-18(31
    )6-8-19)20-9-4-17(13-16(2
    0)3-10-23(27)40)28(33,29(
    34,35)36)30(37,38)39/h4-9
    ,13,21-23,44H,3,10-12,14-
    15H2,1-2H3/t21-,22+,23-,2
    7-/m1/s1;
    NETWYXYMXZLUOG-QSGNWFJVSA-N    		 CC(C)(CN1C(CC(C1=O)F)C(=O)N2CCC3(C2CCc4c
    3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)
    c5ccc(cc5)F)O; CC(C)(CN1[C@@H](C[C@H](C1
    =O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)
    C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc
    5)F)O; CC(C)(O)CN1[C@@H](C[C@@H](F)C1=O)
    C(=O)N2CC[C@@]3([C@H]2CCc4cc(ccc34)C(F)(
    C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5
    ; C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3
    CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c
    4ccc(cc4)F)(=O)=O; CC(C)(O)CN1[CH](C[CH]
    (F)C1=O)C(=O)N2CC[C]3([CH]2CCc4cc(ccc34)
    C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(
    F)cc5    		 (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
    44928 Z8O
    CHEMBL5268152    		 4 C24 H19 N3 O2 InChI=1S/C24H19N3O2/c28-2
    2(27-14-13-17-5-1-4-8-21(
    17)27)15-16-9-11-18(12-10
    -16)23-19-6-2-3-7-20(19)2
    4(29)26-25-23/h1-12H,13-1
    5H2,(H,26,29);
    COYVFENBIAJDFY-UHFFFAOYSA-N    		 O=C(Cc1ccc(cc1)C2=NNC(=O)c3ccccc23)N4CCc
    5ccccc45; O=C(Cc1ccc(cc1)C1=NNC(=O)c2ccc
    cc21)N1CCc2ccccc21; c1ccc2c(c1)CCN2C(=O)
    Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5    		 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one
    44929 Z8R
    CHEMBL4167242    		 4 C15 H15 N O4 S InChI=1S/C15H15NO4S/c1-21
    (19,20)16-10-11-5-7-12(8-
    6-11)13-3-2-4-14(9-13)15(
    17)18/h2-9,16H,10H2,1H3,(
    H,17,18);
    GDROHHKTEPPNSN-UHFFFAOYSA-N    		 C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O
    ; CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O    		 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid
    44930 Z8T
    ZINC000001532520    		 3 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4+,5-,6-/m
    0/s1;
    WQZGKKKJIJFFOK-QYESYBIKSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@H]1O[C@H
    ](O)[C@@H](O)[C@H](O)[C@H]1O; OC[CH]1O[C
    H](O)[CH](O)[CH](O)[CH]1O; C([C@H]1[C@@H
    ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C(
    O)C(OC(O)C1O)CO    		 beta-L-glucopyranose;
    beta-L-glucose;
    L-glucose;
    glucose
    44931 Z8V 1 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    4)10-7-5(2-12)11-6(3-13)8
    (15)9(7)16/h5-9,11-13,15-
    16H,2-3H2,1H3,(H,10,14)/t
    5-,6+,7-,8+,9+/m0/s1;
    GYKHMAHAJKZLAT-KVEIKIFDSA-N    		 CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[CH]
    1[CH](O)[CH](O)[CH](CO)N[CH]1CO; OC1C(O)
    C(NC(C)=O)C(CO)NC1CO; CC(=O)N[C@@H]1[C@@
    H](O)[C@H](O)[C@@H](CO)N[C@H]1CO; CC(=O)
    N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)C
    O)CO    		 N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
    44932 Z8Z
    CHEMBL2347184
    ZINC000095602460    		 1 C37 H48 N6 O5 S InChI=1S/C37H48N6O5S/c1-2
    5(2)33(42-36(45)43(5)21-3
    1-23-49-35(40-31)26(3)4)3
    4(44)39-29(18-27-12-8-6-9
    -13-27)16-17-30(19-28-14-
    10-7-11-15-28)41-37(46)47
    -22-32-20-38-24-48-32/h6-
    15,20,23-26,29-30,33H,16-
    19,21-22H2,1-5H3,(H,39,44
    )(H,41,46)(H,42,45)/t29-,
    30-,33+/m1/s1;
    ZBUUPRZMJYAPQF-QSCLJHCWSA-N    		 CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O
    )N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ocnc3)
    Cc4ccccc4; O=C(OCc1ocnc1)NC(Cc2ccccc2)CC
    C(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)
    C)Cc4ccccc4; CC(C)c1nc(cs1)CN(C)C(=O)N[C
    @@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2
    )NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)c1nc(cs
    1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(Cc2cccc
    c2)NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)[C@H]
    (NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C
    C[C@H](Cc2ccccc2)NC(=O)OCc3ocnc3)Cc4cccc
    c4    		 N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide
    44933 Z90
    CHEMBL1236936
    DB16126
    ZINC000003934935    		 5 C36 H39 N O5 InChI=1S/C36H39NO5/c38-35
    (39)12-6-7-24-37(26-30-19
    -21-33(22-20-30)36(40)41)
    25-23-32-10-4-5-11-34(32)
    42-27-31-17-15-29(16-18-3
    1)14-13-28-8-2-1-3-9-28/h
    1-5,8-11,15-22H,6-7,12-14
    ,23-27H2,(H,38,39)(H,40,4
    1);
    WPYWMXNXEZFMAK-UHFFFAOYSA-N    		 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3
    )cc2)Cc4ccc(cc4)C(O)=O; c1ccc(cc1)CCc2cc
    c(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4cc
    c(cc4)C(=O)O; c1ccc(cc1)CCc2ccc(cc2)COc3
    ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O    		 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid;
    4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)
    44934 Z92
    CHEMBL1088012
    ZINC000034008497    		 2 C17 H15 Cl N4 O3 InChI=1S/C17H15ClN4O3/c1-
    24-13-8-3-10(9-14(13)25-2
    )15-16(17(23)22-20-15)21-
    19-12-6-4-11(18)5-7-12/h3
    -9,19H,1-2H3,(H,21,22,23);
    UXJPKQXTZFNBHT-UHFFFAOYSA-N    		 COc1ccc(cc1OC)C\2=NNC(=O)C\2=N/Nc3ccc(Cl
    )cc3; COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc
    (cc3)Cl; COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/
    Nc3ccc(cc3)Cl; COc1ccc(cc1OC)C2=NNC(=O)C
    2=NNc3ccc(Cl)cc3    		 (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one;
    (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one
    44935 Z93 2 C24 H19 N4 O4 InChI=1S/C24H18N4O4/c1-32
    -19-9-6-17-13-28(21(29)20
    (17)11-19)14-24(22(30)26-
    23(31)27-24)18-7-4-15(5-8
    -18)16-3-2-10-25-12-16/h2
    -13H,14H2,1H3,(H-,26,27,3
    0,31)/p+1/t24-/m0/s1;
    IPWWTFLYEBQOPS-DEOSSOPVSA-O    		 COc1ccc2c(c1)C(=O)[N+](=C2)CC3(C(=O)NC(=
    O)N3)c4ccc(cc4)c5cccnc5; COc1ccc2c(c1)C(
    =O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(
    cc4)c5cccnc5; COc1ccc2C=[N+](C[C]3(NC(=O
    )NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1; COc
    1ccc2C=[N+](C[C@]3(NC(=O)NC3=O)c4ccc(cc4
    )c5cccnc5)C(=O)c2c1    		 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium;
    N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
    44936 Z94
    ZINC000039334731    		 1 C11 H11 N3 O3 InChI=1S/C11H11N3O3/c1-6(
    15)12-8-4-2-7(3-5-8)9-10(
    16)14-11(17)13-9/h2-5,9H,
    1H3,(H,12,15)(H2,13,14,16
    ,17)/t9-/m0/s1;
    GUTQNQMNYWTMBT-VIFPVBQESA-N    		 CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O; CC(=O
    )Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2; CC(=O)N
    c1ccc(cc1)[C@@H]2NC(=O)NC2=O; CC(=O)Nc1c
    cc(cc1)C2C(=O)NC(=O)N2    		 N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide;
    2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID
    44937 Z96
    CHEMBL601202
    ZINC000044460009    		 1 C28 H32 Cl N5 O3 InChI=1S/C28H32ClN5O3/c1-
    28(2,3)37-27(36)34-12-10-
    33(11-13-34)25-20-8-7-19(
    29)15-21(20)22(14-18-6-5-
    9-31-24(18)25)26(35)23-16
    -30-17-32(23)4/h5-9,14-17
    ,25-26,35H,10-13H2,1-4H3/
    t25-,26+/m0/s1;
    YZFYPECRJZGSGJ-IZZNHLLZSA-N    		 CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3C(=Cc
    4c2nccc4)C(c5cncn5C)O)Cl; CC(C)(C)OC(=O)
    N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[
    C@H](c5cncn5C)O)Cl; Cn1cncc1[CH](O)C2=Cc
    3cccnc3[CH](N4CCN(CC4)C(=O)OC(C)(C)C)c5c
    cc(Cl)cc25; Cn1cncc1[C@H](O)C2=Cc3cccnc3
    [C@@H](N4CCN(CC4)C(=O)OC(C)(C)C)c5ccc(Cl
    )cc25    		 tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate;
    1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE
    44938 Z97
    ZINC000058651042    		 8 C13 H20 N3 O7 P InChI=1S/C13H20N3O7P/c1-8
    -12(17)10(6-15-4-2-3-11(1
    4)13(18)19)9(5-16-8)7-23-
    24(20,21)22/h5-6,11,17H,2
    -4,7,14H2,1H3,(H,18,19)(H
    2,20,21,22)/b15-6+/t11-/m
    0/s1;
    RMKYDMCVWSLEGI-DMSFABOWSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[CH](N)C(O)
    =O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[C@
    H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)
    O)C=NCCCC(C(=O)O)N)O; Cc1c(c(c(cn1)COP(=
    O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O    		 (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine
    44939 Z98
    ZINC000058649364    		 8 C12 H18 N3 O7 P InChI=1S/C12H18N3O7P/c1-7
    -11(16)9(5-14-3-2-10(13)1
    2(17)18)8(4-15-7)6-22-23(
    19,20)21/h4-5,10,16H,2-3,
    6,13H2,1H3,(H,17,18)(H2,1
    9,20,21)/b14-5-/t10-/m0/s
    1;
    BBWBZEWRKQXPMM-YXBHYIBOSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCC(C(=O)O)N
    )O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[CH](N)C
    (O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[
    C@H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(
    O)O)/C=N\CC[C@@H](C(=O)O)N)O    		 (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid
    44940 Z99
    CHEMBL432038
    ZINC000003826602    		 30 C20 H19 N O5 InChI=1S/C20H19NO5/c21-20
    (19(24)25,15-9-13(15)18(2
    2)23)10-14-11-5-1-3-7-16(
    11)26-17-8-4-2-6-12(14)17
    /h1-8,13-15H,9-10,21H2,(H
    ,22,23)(H,24,25)/t13-,15-
    ,20-/m0/s1;
    VLZBRVJVCCNPRJ-KPHUOKFYSA-N    		 c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@
    @H]4C(=O)O)(C(=O)O)N; N[C@@](CC1c2ccccc2
    Oc3ccccc13)([C@H]4C[C@@H]4C(O)=O)C(O)=O;
    c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)
    (C(=O)O)N; N[C](CC1c2ccccc2Oc3ccccc13)([
    CH]4C[CH]4C(O)=O)C(O)=O    		 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine;
    (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid
    44941 Z9A 1 C18 H24 Br N3 O5 InChI=1S/C18H24BrN3O5/c1-
    11(18(26)27-2)21-17(25)14
    (10-15(20)23)22-16(24)5-3
    -4-12-6-8-13(19)9-7-12/h6
    -9,11,14H,3-5,10H2,1-2H3,
    (H2,20,23)(H,21,25)(H,22,
    24)/t11-,14+/m0/s1;
    UMJYMQGCXBKOHD-SMDDNHRTSA-N    		 COC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=
    O)CCCc1ccc(Br)cc1; C[C@@H](C(=O)OC)NC(=O
    )[C@@H](CC(=O)N)NC(=O)CCCc1ccc(cc1)Br; C
    C(C(=O)OC)NC(=O)C(CC(=O)N)NC(=O)CCCc1ccc
    (cc1)Br; COC(=O)[CH](C)NC(=O)[CH](CC(N)=
    O)NC(=O)CCCc1ccc(Br)cc1; Brc1ccc(CCCC(=O
    )NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1    		 methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate
    44942 Z9D
    ZINC000005851334    		 1 C6 H12 O5 InChI=1S/C6H12O5/c7-2-3-1
    -4(8)5(9)6(10)11-3/h3-10H
    ,1-2H2/t3-,4-,5+,6+/m0/s1;
    HDEMQQHXNOJATE-UNTFVMJOSA-N    		 C1C(OC(C(C1O)O)O)CO; OC[CH]1C[CH](O)[CH]
    (O)[CH](O)O1; C1[C@H](O[C@H]([C@@H]([C@H
    ]1O)O)O)CO; OC[C@@H]1C[C@H](O)[C@@H](O)[
    C@H](O)O1; OC1CC(OC(O)C1O)CO    		 4-deoxy-beta-D-xylo-hexopyranose
    44943 Z9E
    ZINC000013545755    		 1 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6-/m1/s1;
    JUSMHIGDXPKSID-VFUOTHLCSA-N    		 OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H]
    1O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C(C(O1
    )S)O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H](
    [C@H](O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](
    O)[CH](O)[CH]1O    		 1-thio-alpha-D-glucopyranose
    44944 Z9G 1 C14 H17 Br N2 O4 InChI=1S/C14H17BrN2O4/c15
    -10-6-4-9(5-7-10)2-1-3-13
    (19)17-11(14(20)21)8-12(1
    6)18/h4-7,11H,1-3,8H2,(H2
    ,16,18)(H,17,19)(H,20,21)
    /t11-/m1/s1;
    VRZHKETUQBKIPG-LLVKDONJSA-N    		 NC(=O)C[CH](NC(=O)CCCc1ccc(Br)cc1)C(O)=O
    ; c1cc(ccc1CCCC(=O)N[C@H](CC(=O)N)C(=O)O
    )Br; Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)c
    c1; NC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1)
    C(O)=O; c1cc(ccc1CCCC(=O)NC(CC(=O)N)C(=O
    )O)Br    		 N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine
    44945 Z9H 7 C8 H16 O12 S2 InChI=1S/C8H16O12S2/c1-16
    -5-4(3-18-21(10,11)12)19-
    8(9)7(6(5)17-2)20-22(13,1
    4)15/h4-9H,3H2,1-2H3,(H,1
    0,11,12)(H,13,14,15)/t4-,
    5-,6+,7-,8+/m1/s1;
    KXJTXUUGBKCQJT-CBQIKETKSA-N    		 CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](
    O[S](O)(=O)=O)[CH]1OC; CO[C@@H]1[C@@H](C
    O[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O)
    =O)[C@H]1OC; CO[C@@H]1[C@H](O[C@@H]([C@@
    H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O;
    O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1
    OC; COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O
    )(=O)O    		 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose
    44946 Z9I
    ZINC000082591546    		 2 C6 H14 N2 O2 S InChI=1S/C6H14N2O2S/c1-11
    (9,10)8-4-2-3-6(8)5-7/h6H
    ,2-5,7H2,1H3/t6-/m1/s1;
    RYZYXPKYSJEBDD-ZCFIWIBFSA-N    		 CS(=O)(=O)N1CCCC1CN; CS(=O)(=O)N1CCC[C@@
    H]1CN; C[S](=O)(=O)N1CCC[C@@H]1CN; NCC1C
    CCN1S(=O)(C)=O; C[S](=O)(=O)N1CCC[CH]1CN    		 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
    44947 Z9J 0 C13 H19 N O2 S2 InChI=1S/C13H19NO2S2/c14-
    5-7-18-10-12-3-1-2-11(8-1
    2)9-17-6-4-13(15)16/h1-3,
    8H,4-7,9-10,14H2,(H,15,16
    );
    HDBIDFYDMNICRF-UHFFFAOYSA-N    		 c1cc(cc(c1)CSCCN)CSCCC(=O)O; NCCSCc1cccc
    (CSCCC(O)=O)c1    		 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid;
    3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
    44948 Z9K 5 C7 H12 O10 S InChI=1S/C7H12O10S/c1-15-
    3-2(8)4(6(9)10)16-7(11)5(
    3)17-18(12,13)14/h2-5,7-8
    ,11H,1H3,(H,9,10)(H,12,13
    ,14)/t2-,3-,4+,5+,7+/m0/s
    1;
    ANYCAUYSISUNKI-QVVHOTIMSA-N    		 COC1C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O; CO[
    C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(
    =O)O)O)C(=O)O)O; CO[CH]1[CH](O)[CH](O[CH
    ](O)[CH]1O[S](O)(=O)=O)C(O)=O; O=C(O)C1O
    C(O)C(OS(=O)(=O)O)C(OC)C1O; CO[C@H]1[C@H
    ](O)[C@@H](O[C@@H](O)[C@@H]1O[S](O)(=O)=
    O)C(O)=O    		 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
    44949 Z9L 8 C7 H14 O15 S3 InChI=1S/C7H14O15S3/c1-18
    -7-6(22-25(15,16)17)5(21-
    24(12,13)14)4(8)3(20-7)2-
    19-23(9,10)11/h3-8H,2H2,1
    H3,(H,9,10,11)(H,12,13,14
    )(H,15,16,17)/t3-,4-,5+,6
    -,7+/m1/s1;
    KOFWJYYHIXJXAE-ZFYZTMLRSA-N    		 CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[
    C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O;
    CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    S(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O; CO
    [CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[
    S](O)(=O)=O)[CH]1O[S](O)(=O)=O; O=S(=O)(
    O)OCC1OC(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O)
    C1O; COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O
    )(=O)O)OS(=O)(=O)O    		 methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
    44950 Z9M
    DB02865
    ZINC000005830009    		 12 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-4
    (9)5(15-16(11,12)13)2(1-8
    )14-6(3)10/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    QWDBGVNDGYUIAC-QZABAPFNSA-N    		 C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O; N[CH]
    1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1
    O; N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](
    O)(O)=O)[C@@H]1O; C([C@@H]1[C@H]([C@@H](
    [C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O; O=P(
    O)(O)OC1C(OC(O)C(N)C1O)CO    		 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
    4-O-phosphono-beta-D-glucosamine;
    2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-glucose
    44951 Z9N
    CHEMBL4748482
    ZINC000003830876    		 22 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    +/m1/s1;
    RFSUNEUAIZKAJO-ZXXMMSQZSA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@
    @H]([C@@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)
    (CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)
    O)O; OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H
    ]1O    		 alpha-D-fructofuranose;
    alpha-D-fructose;
    D-fructose;
    fructose
    44952 Z9W 0 C8 H15 N O5 InChI=1S/C8H15NO5/c1-3-6(
    11)7(12)5(8(13)14-3)9-4(2
    )10/h3,5-8,11-13H,1-2H3,(
    H,9,10)/t3-,5-,6-,7-,8-/m
    1/s1;
    XOCCAGJZGBCJME-PNAXYBNRSA-N    		 C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O
    ; C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](
    O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)C)C; C
    [C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC
    (=O)C)O)O; CC1C(C(C(C(O1)O)NC(=O)C)O)O    		 2-acetamido-2-deoxy-beta-D-quinovopyranose;
    2-acetamido-2,6-deoxy-beta-D-glucopyranose;
    6-deoxy-N-acetyl-beta-D-glucosamine;
    N-acetyl-beta-D-quinosamine;
    2-acetamido-2-deoxy-beta-D-quinovose;
    2-acetamido-2-deoxy-D-quinovose;
    2-acetamido-2-deoxy-quinovose;
    2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose
    44953 Z9Z
    ZINC000098209657    		 1 C39 H50 N6 O4 S InChI=1S/C39H50N6O4S/c1-2
    7(2)35(44-38(47)45(5)24-3
    4-26-50-37(42-34)28(3)4)3
    6(46)41-32(21-29-13-8-6-9
    -14-29)18-19-33(22-30-15-
    10-7-11-16-30)43-39(48)49
    -25-31-17-12-20-40-23-31/
    h6-17,20,23,26-28,32-33,3
    5H,18-19,21-22,24-25H2,1-
    5H3,(H,41,46)(H,43,48)(H,
    44,47)/t32-,33+,35+/m0/s1;
    DXYIYKUZINROPB-VUHKNJSWSA-N    		 CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC
    (CCC(Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc
    4; CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C
    (=O)N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ccc
    nc3)Cc4ccccc4; O=C(OCc1cccnc1)NC(Cc2cccc
    c2)CCC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C
    )C(C)C)Cc4ccccc4; CC(C)[C@@H](NC(=O)N(C)
    Cc1csc(n1)C(C)C)C(=O)N[C@@H](CC[C@H](Cc2
    ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4; CC(C)
    c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C
    @@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)
    Cc4ccccc4    		 pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    44954 ZA2
    ZINC000199226722    		 2 C8 H10 B Cl N O4 InChI=1S/C8H10BClNO4/c10-
    7-4-2-1-3-6(7)8(12)11-5-9
    (13,14)15/h1-4,13-15H,5H2
    ,(H,11,12)/q-1;
    QHCGFAIMVLWXJG-UHFFFAOYSA-N    		 O[B-](O)(O)CNC(=O)c1ccccc1Cl; [B-](CNC(=
    O)c1ccccc1Cl)(O)(O)O    		 [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON;
    2-CHLOROBENZAMIDOMETHYLBORONIC ACID
    44955 ZA3
    ZINC000199226740    		 5 C8 H10 B N2 O6 InChI=1S/C8H10BN2O6/c12-8
    (10-5-9(13,14)15)6-3-1-2-
    4-7(6)11(16)17/h1-4,13-15
    H,5H2,(H,10,12)/q-1;
    YKMUZZUWSQWVEH-UHFFFAOYSA-N    		 O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O;
    [B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O    		 TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
    44956 ZA4
    ZINC000199226759    		 1 C8 H10 B F N O4 InChI=1S/C8H10BFNO4/c10-7
    -4-2-1-3-6(7)8(12)11-5-9(
    13,14)15/h1-4,13-15H,5H2,
    (H,11,12)/q-1;
    GSERMWXQEOLTTB-UHFFFAOYSA-N    		 [B-](CNC(=O)c1ccccc1F)(O)(O)O; O[B-](O)(
    O)CNC(=O)c1ccccc1F    		 [(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
    44957 ZA5
    ZINC000199226777    		 1 C8 H9 B F2 N O4 InChI=1S/C8H9BF2NO4/c10-5
    -2-1-3-6(11)7(5)8(13)12-4
    -9(14,15)16/h1-3,14-16H,4
    H2,(H,12,13)/q-1;
    WTOJBPXTZMRWEB-UHFFFAOYSA-N    		 [B-](CNC(=O)c1c(cccc1F)F)(O)(O)O; O[B-](
    O)(O)CNC(=O)c1c(F)cccc1F    		 [(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
    44958 ZA6
    ZINC000023338508    		 1 C23 H23 N3 O S InChI=1S/C23H23N3OS/c1-17
    (20-14-9-15-28-20)26(2)16
    -21-24-23(25-27-21)22(18-
    10-5-3-6-11-18)19-12-7-4-
    8-13-19/h3-15,17,22H,16H2
    ,1-2H3/t17-/m0/s1;
    YMVZNLFSCPAPNW-KRWDZBQOSA-N    		 CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4cc
    ccc4; C[C@@H](c1cccs1)N(C)Cc2nc(no2)C(c3
    ccccc3)c4ccccc4; C[C@H](N(C)Cc1onc(n1)C(
    c2ccccc2)c3ccccc3)c4sccc4; CC(N(C)Cc1nc(
    no1)C(c1ccccc1)c1ccccc1)c1cccs1; C[CH](N
    (C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4    		 (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine
    44959 ZA9
    ZINC000033884898    		 2 C13 H16 N2 InChI=1S/C13H16N2/c1-4-11
    (10-3-2-7-14-9-10)12-6-8-
    15-13(12)5-1/h1,4-6,8,10,
    14-15H,2-3,7,9H2/t10-/m1/
    s1;
    JWMGZQMVMZBMFM-SNVBAGLBSA-N    		 c1cc(c2cc[nH]c2c1)C3CCCNC3; C1CNC[CH](C1
    )c2cccc3[nH]ccc23; C1CNC[C@@H](C1)c2cccc
    3[nH]ccc23; c1cc(c2cc[nH]c2c1)[C@@H]3CCC
    NC3; c1c[NH]c2cccc(c12)C1CCCNC1    		 4-[(3S)-piperidin-3-yl]-1H-indole
    44960 ZAA
    CHEMBL491751    		 1 C29 H26 N4 O4 InChI=1S/C29H26N4O4/c1-20
    -25(30-29(37-20)22-10-4-2
    -5-11-22)15-16-36-24-14-8
    -9-21(17-24)18-26-27(19-2
    8(34)35)32-33(31-26)23-12
    -6-3-7-13-23/h2-14,17H,15
    -16,18-19H2,1H3,(H,34,35);
    QIGYDDWEDSMCSH-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn
    (n4)c5ccccc5)CC(=O)O; O=C(O)Cc1nn(nc1Cc4
    cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5;
    Cc1oc(nc1CCOc2cccc(Cc3nn(nc3CC(O)=O)c4cc
    ccc4)c2)c5ccccc5    		 (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid;
    2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID
    44961 ZAB
    ZINC000103562504    		 0 C15 H15 N3 O2 InChI=1S/C15H15N3O2/c16-1
    0-12-4-2-6-14(8-12)18-17-
    13-5-1-3-11(7-13)9-15(19)
    20/h1-8H,9-10,16H2,(H,19,
    20)/b18-17-;
    RHNJRPYVLIXHAK-ZCXUNETKSA-N    		 c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O; O=C(
    O)Cc2cccc(\N=N/c1cccc(c1)CN)c2; NCc1cccc
    (c1)N=Nc2cccc(CC(O)=O)c2    		 (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
    44962 ZAD
    ZINC000058649580    		 0 C8 H12 N5 O5 P InChI=1S/C8H12N5O5P/c9-7-
    6-8(11-3-10-7)13(4-12-6)1
    -5(14)2-18-19(15,16)17/h3
    -5,14H,1-2H2,(H2,9,10,11)
    (H2,15,16,17)/t5-/m0/s1;
    IDXHXXLVPICOPG-YFKPBYRVSA-N    		 Nc1ncnc2n(C[C@H](O)CO[P](O)(O)=O)cnc12;
    c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)
    N; Nc1ncnc2n(C[CH](O)CO[P](O)(O)=O)cnc12
    ; c1nc(c2c(n1)n(cn2)CC(COP(=O)(O)O)O)N;
    O=P(O)(O)OCC(O)Cn1c2ncnc(c2nc1)N    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE
    44963 ZAE
    ZINC000012954903    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c1-11-
    9(10(12)13)7-8-5-3-2-4-6-
    8/h2-6,9,11H,7H2,1H3,(H,1
    2,13)/t9-/m1/s1;
    SCIFESDRCALIIM-SECBINFHSA-N    		 CNC(Cc1ccccc1)C(=O)O; CN[C@H](Cc1ccccc1)
    C(=O)O; CN[C@H](Cc1ccccc1)C(O)=O; CN[CH]
    (Cc1ccccc1)C(O)=O; O=C(O)C(NC)Cc1ccccc1    		 N-methyl-D-phenylalanine
    44964 ZAF
    DB08762
    ZINC000039313129    		 1 C22 H27 N2 O8 P InChI=1S/C22H27N2O8P/c1-1
    5(23-22(28)31-14-18-11-7-
    4-8-12-18)20(25)24-16(2)3
    3(29,30)32-19(21(26)27)13
    -17-9-5-3-6-10-17/h3-12,1
    5-16,19H,13-14H2,1-2H3,(H
    ,23,28)(H,24,25)(H,26,27)
    (H,29,30)/t15-,16+,19-/m0
    /s1;
    UPJNMOBJDSFRTI-FCEWJHQRSA-N    		 C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@
    H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2; C[
    C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)[P@
    ](O)(=O)O[C@@H](Cc2ccccc2)C(O)=O; O=C(O)
    C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)
    C)Cc2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O
    )N[CH](C)[P](O)(=O)O[CH](Cc2ccccc2)C(O)=
    O; CC(C(=O)NC(C)P(=O)(O)OC(Cc1ccccc1)C(=
    O)O)NC(=O)OCc2ccccc2    		 O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
    44965 ZAH
    DB04033
    ZINC000001575977    		 4 C16 H20 N2 O5 InChI=1S/C16H20N2O5/c1-11
    (14(19)18-9-5-8-13(18)15(
    20)21)17-16(22)23-10-12-6
    -3-2-4-7-12/h2-4,6-7,11,1
    3H,5,8-10H2,1H3,(H,17,22)
    (H,20,21)/t11-,13-/m0/s1;
    RSSOZTMMMIWOJB-AAEUAGOBSA-N    		 CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2;
    C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc
    2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O)N2C
    CC[CH]2C(O)=O; C[C@H](NC(=O)OCc1ccccc1)C
    (=O)N2CCC[C@H]2C(O)=O; O=C(O)C2N(C(=O)C(
    NC(=O)OCc1ccccc1)C)CCC2    		 N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE;
    Z-ALA PROLINAL
    44966 ZAI 0 C17 H29 N4 O9 P S InChI=1S/C17H29N4O9PS/c1-
    9-14(22)13(10(6-20-9)7-30
    -31(27,28)29)15(21-12(8-3
    2)17(25)26)19-5-3-2-4-11(
    18)16(23)24/h6,11-12,15,1
    9,21-22,32H,2-5,7-8,18H2,
    1H3,(H,23,24)(H,25,26)(H2
    ,27,28,29)/t11-,12+,15+/m
    0/s1;
    ZOOIRKLCYJDYSX-YWPYICTPSA-N    		 Cc1ncc(CO[P](O)(O)=O)c([C@H](NCCCC[C@H](
    N)C(O)=O)N[C@H](CS)C(O)=O)c1O; Cc1c(c(c(
    cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O
    )N)N[C@H](CS)C(=O)O)O; Cc1ncc(CO[P](O)(O
    )=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C(NC
    CCCC(C(=O)O)N)NC(CS)C(=O)O)O    		 (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid
    44967 ZAL
    CHEMBL441123
    ZINC000012502778    		 0 C9 H17 N O2 InChI=1S/C9H17NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h7
    -8H,1-6,10H2,(H,11,12)/t8
    -/m1/s1;
    ORQXBVXKBGUSBA-MRVPVSSYSA-N    		 N[C@H](CC1CCCCC1)C(O)=O; O=C(O)C(N)CC1CC
    CCC1; C1CCC(CC1)CC(C(=O)O)N; N[CH](CC1CC
    CCC1)C(O)=O; C1CCC(CC1)C[C@H](C(=O)O)N    		 3-cyclohexyl-D-alanine
    44968 ZAM
    CHEMBL109420
    DB03534
    ZINC000000591143    		 2 C22 H26 N4 O2 InChI=1S/C22H26N4O2/c1-15
    (27)24(2)13-18-11-17(9-10
    -20(18)23)22(28)25(3)14-1
    9-12-16-7-5-6-8-21(16)26(
    19)4/h5-12H,13-14,23H2,1-
    4H3;
    AWTBJNJPBKTHEV-UHFFFAOYSA-N    		 CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)
    C(C)=O; CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)C
    c2cc3ccccc3n2C; O=C(N(C)Cc1c(N)ccc(c1)C(
    =O)N(C)Cc3cc2ccccc2n3C)C    		 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE
    44969 ZAN
    ZINC000034177510    		 17 C10 H17 N6 O12 P3 InChI=1S/C10H17N6O12P3/c1
    1-8-5-9(13-2-12-8)16(3-14
    -5)10-7(18)6(17)4(27-10)1
    -26-29(19,20)15-30(21,22)
    28-31(23,24)25/h2-4,6-7,1
    0,17-18H,1H2,(H2,11,12,13
    )(H2,23,24,25)(H3,15,19,2
    0,21,22)/t4-,6-,7-,10-/m1
    /s1;
    WUPFAKUEHUVIDK-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O
    )N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)
    (NP(=O)(O)OP(=O)(O)O)O)O)O)N; Nc1ncnc2n(
    cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N[P](O)(
    =O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; Nc1ncn
    c2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)
    (=O)O[P](O)(O)=O)[CH](O)[CH]3O; O=P(O)(O
    )OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3O    		 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
    44970 ZAP
    DB08763
    ZINC000031260847    		 2 C16 H18 N3 O5 P InChI=1S/C16H18N3O5P/c17-
    14(18)12-6-8-13(9-7-12)15
    (25(21,22)23)19-16(20)24-
    10-11-4-2-1-3-5-11/h1-9,1
    5H,10H2,(H3,17,18)(H,19,2
    0)(H2,21,22,23)/t15-/m1/s
    1;
    FSNDLCSOLUMYRH-OAHLLOKOSA-N    		 NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)[
    P](O)(O)=O; [H]/N=C(\c1ccc(cc1)[C@H](NC(
    =O)OCc2ccccc2)P(=O)(O)O)/N; O=P(O)(O)C(c
    1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2; NC
    (=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P](
    O)(O)=O; [H]N=C(c1ccc(cc1)C(NC(=O)OCc2cc
    ccc2)P(=O)(O)O)N    		 [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE;
    Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
    44971 ZAR
    CHEMBL313842
    DB02918
    ZINC000009230249    		 14 C12 H10 F2 N2 O3 InChI=1S/C12H10F2N2O3/c1-
    18-10-6-7(2-4-9(10)19-12(
    13)14)8-3-5-11(17)16-15-8
    /h2-6,12H,1H3,(H,16,17);
    HJMQDJPMQIHLPB-UHFFFAOYSA-N    		 O=C1C=CC(=NN1)c2cc(OC)c(OC(F)F)cc2; COc1
    cc(ccc1OC(F)F)C2=NNC(=O)C=C2    		 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE
    44972 ZAS 3 C10 H12 N8 O3 InChI=1S/C10H12N8O3/c11-8
    -5-9(14-2-13-8)18(3-15-5)
    10-7(20)6(19)4(21-10)1-16
    -17-12/h2-4,6-7,10,19-20H
    ,1H2,(H2,11,13,14)/t4-,6-
    ,7-,10-/m1/s1;
    SKWSYTVBPHWKHX-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CN=[N+]=[N-])O)O)N; Nc1ncnc2n(cnc
    12)[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[
    C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN=
    [N+]=[N-])O)O)N; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CN=[N+]=[N-])[CH](O)[CH]3O; Nc1ncnc2
    c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O    		 5'-azido-5'-deoxyadenosine
    44973 ZAT
    CHEMBL142485
    ZINC000013981739    		 1 C19 H24 N10 O InChI=1S/C19H24N10O/c1-11
    (26-28-17(20)21)13-3-7-15
    (8-4-13)24-19(30)25-16-9-
    5-14(6-10-16)12(2)27-29-1
    8(22)23/h3-10H,1-2H3,(H4,
    20,21,28)(H4,22,23,29)(H2
    ,24,25,30)/b26-11+,27-12+;
    HCAQGQIHBFVVIX-LYXAAFRTSA-N    		 CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)
    =NNC(N)=N)cc1; C\C(=N/NC(N)=N)c1ccc(NC(=
    O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1; O=C(Nc
    1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(=
    N\NC(=[N@H])N)C)cc2; [H]N=C(N)NN=C(C)c1c
    cc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C
    ; [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)
    Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C    		 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)
    44974 ZAW
    CHEMBL1604922
    ZINC000000346100    		 0 C11 H8 N2 O InChI=1S/C11H8N2O/c14-11(
    9-3-1-5-12-7-9)10-4-2-6-1
    3-8-10/h1-8H;
    AQLPDLOXKZRZEV-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)c2cccnc2; O=C(c1cccnc1)c2
    cccnc2    		 di(pyridin-3-yl)methanone
    44975 ZAZ
    ZINC000001702866    		 1 C11 H22 O InChI=1S/C11H22O/c12-10-6
    -2-5-9-11-7-3-1-4-8-11/h1
    1-12H,1-10H2;
    DOUCFSUZXLHVHJ-UHFFFAOYSA-N    		 C1CCC(CC1)CCCCCO; OCCCCCC1CCCCC1 5-cyclohexylpentan-1-ol
    44976 ZB0 1 C8 H16 O6 InChI=1S/C8H16O6/c1-12-6-
    5(10)4(3-9)14-8(11)7(6)13
    -2/h4-11H,3H2,1-2H3/t4-,5
    -,6+,7-,8+/m1/s1;
    SQYIWHJCOMWKNU-CBQIKETKSA-N    		 CO[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@
    H]1OC; O(C)C1C(OC)C(O)C(OC1O)CO; CO[CH]1
    [CH](O)O[CH](CO)[CH](O)[CH]1OC; COC1C(C(
    OC(C1OC)O)CO)O; CO[C@H]1[C@@H]([C@H](O[C
    @@H]([C@@H]1OC)O)CO)O    		 2,3-di-O-methyl-alpha-D-glucopyranose
    44977 ZB1
    ZINC000003861772    		 5 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    4(9)3(2-8)13-7(11)5(6)10/
    h3-11H,2H2,1H3/t3-,4-,5-,
    6+,7+/m1/s1;
    SCBBSJMAPKXHAH-OVHBTUCOSA-N    		 CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@
    H]1O; COC1C(C(OC(C1O)O)CO)O; CO[C@H]1[C@
    @H]([C@H](O[C@@H]([C@@H]1O)O)CO)O; CO[CH
    ]1[CH](O)[CH](O)O[CH](CO)[CH]1O; O(C1C(O
    )C(OC(O)C1O)CO)C    		 3-O-methyl-alpha-D-glucopyranose
    44978 ZB2
    ZINC000034191099    		 0 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    5(10)4(9)3(2-8)13-7(6)11/
    h3-11H,2H2,1H3/t3-,4-,5+,
    6-,7+/m1/s1;
    UMPNFVHHMOSNAC-ZFYZTMLRSA-N    		 CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O; CO
    [C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O
    )O; O(C)C1C(O)C(O)C(OC1O)CO; COC1C(C(C(O
    C1O)CO)O)O; CO[C@H]1[C@@H](O)O[C@H](CO)[
    C@@H](O)[C@@H]1O    		 2-O-methyl-alpha-D-glucopyranose
    44979 ZB3 0 C8 H16 O6 InChI=1S/C8H16O6/c1-12-3-
    4-5(9)6(10)7(13-2)8(11)14
    -4/h4-11H,3H2,1-2H3/t4-,5
    -,6+,7-,8+/m1/s1;
    CJUQCEZPMNQPIV-CBQIKETKSA-N    		 O(C)C1C(O)C(O)C(OC1O)COC; COC[CH]1O[CH](
    O)[CH](OC)[CH](O)[CH]1O; COC[C@H]1O[C@H]
    (O)[C@H](OC)[C@@H](O)[C@@H]1O; COCC1C(C(
    C(C(O1)O)OC)O)O; COC[C@@H]1[C@H]([C@@H](
    [C@H]([C@H](O1)O)OC)O)O    		 2,6-di-O-methyl-alpha-D-glucopyranose
    44980 ZB4
    CHEMBL4856175
    ZINC000058085799    		 8 C23 H31 N3 O3 S InChI=1S/C23H31N3O3S/c1-2
    9-23-14-8-7-13-22(23)26-1
    7-15-25(16-18-26)21-12-6-
    5-11-20(21)24-30(27,28)19
    -9-3-2-4-10-19/h2-4,7-10,
    13-14,20-21,24H,5-6,11-12
    ,15-18H2,1H3/t20-,21-/m0/
    s1;
    OVTXOMMQHRIKGL-SFTDATJTSA-N    		 COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4
    ccccc4; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C
    @@H]3NS(=O)(=O)c4ccccc4; COc1ccccc1N2CCN
    (CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4;
    O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c
    1ccccc1; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[
    C@@H]3N[S](=O)(=O)c4ccccc4    		 N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
    44981 ZB6
    ZINC000000235512    		 1 C10 H17 N O3 S InChI=1S/C10H17NO3S/c1-7-
    3-2-4-8(10(13)14)11(7)9(1
    2)5-6-15/h7-8,15H,2-6H2,1
    H3,(H,13,14)/t7-,8-/m1/s1;
    UHIOKYGCFGNNCU-HTQZYQBOSA-N    		 C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O; CC1
    CCCC(N1C(=O)CCS)C(=O)O; O=C(N1C(C(=O)O)C
    CCC1C)CCS; C[CH]1CCC[CH](N1C(=O)CCS)C(O)
    =O; C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(O)=O    		 (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
    44982 ZB9
    CHEMBL5276931    		 1 C20 H22 Cl2 N6 O InChI=1S/C20H22Cl2N6O/c1-
    27(20-17-4-5-23-19(17)25-
    12-26-20)16-3-2-6-28(11-1
    6)18(29)10-24-15-8-13(21)
    7-14(22)9-15/h4-5,7-9,12,
    16,24H,2-3,6,10-11H2,1H3,
    (H,23,25,26)/t16-/m1/s1;
    RXWBGONJVWQVFN-MRXNPFEDSA-N    		 CN([CH]1CCCN(C1)C(=O)CNc2cc(Cl)cc(Cl)c2)
    c3ncnc4[nH]ccc34; CN([C@@H]1CCCN(C1)C(=O
    )CNc2cc(Cl)cc(Cl)c2)c3ncnc4[nH]ccc34; CN
    (c1c2cc[nH]c2ncn1)[C@@H]3CCCN(C3)C(=O)CN
    c4cc(cc(c4)Cl)Cl; O=C(CNc1cc(Cl)cc(Cl)c1
    )N1CCCC(C1)N(C)c1ncnc2[NH]ccc21; CN(c1c2
    cc[nH]c2ncn1)C3CCCN(C3)C(=O)CNc4cc(cc(c4
    )Cl)Cl    		 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one
    44983 ZBA
    ZINC000058649583    		 5 C24 H32 O9 InChI=1S/C24H32O9/c1-12(2
    )7-18(27)32-16-9-23(10-29
    -14(4)25)17(8-13(16)3)33-
    21-19(28)20(31-15(5)26)22
    (23,6)24(21)11-30-24/h8,1
    6-17,19-21,28H,1,7,9-11H2
    ,2-6H3/t16-,17+,19+,20+,2
    1+,22+,23+,24-/m0/s1;
    JESYGVLQSIZOBZ-QYWOHJEZSA-N    		 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)(
    [C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O
    )OC(=O)C)C)COC(=O)C; O=C(OC4C(=CC3OC2C1(
    OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C)
    CC(=C)\C; CC(=C)CC(=O)O[C@H]1C[C@@]2(COC
    (C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)
    =O)[C@@]2(C)[C@]34CO4)C=C1C; CC(=C)CC(=O
    )O[CH]1C[C]2(COC(C)=O)[CH](O[CH]3[CH](O)
    [CH](OC(C)=O)[C]2(C)[C]34CO4)C=C1C; CC1=
    CC2C(CC1OC(=O)CC(=C)C)(C3(C(C(C(C34CO4)O
    2)O)OC(=O)C)C)COC(=O)C    		 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
    44984 ZBC
    ZINC000058649731    		 0 C7 H11 Br N3 O6 P InChI=1S/C7H11BrN3O6P/c8-
    5-2-11(7(13)10-6(5)9)1-4(
    12)3-17-18(14,15)16/h2,4,
    12H,1,3H2,(H2,9,10,13)(H2
    ,14,15,16)/t4-/m0/s1;
    VBQHVDIFDLFEIT-BYPYZUCNSA-N    		 C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)
    Br; NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=
    C1Br; C1=C(C(=NC(=O)N1CC(COP(=O)(O)O)O)N
    )Br; O=C1N=C(C(Br)=CN1CC(O)COP(=O)(O)O)N
    ; NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C
    1Br    		 (2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMIDIN-1(2H)-YL)-2-HYDROXYPROPYL DIHYDROGEN PHOSPHATE
    44985 ZBD
    ZINC000231374928    		 1 C25 H29 F6 N3 O5 S InChI=1S/C25H29F6N3O5S/c1
    -17(13-15-35)32(2)22(36)8
    -5-14-33-20-6-3-4-7-21(20
    )34(40(33,38)39)16-18-9-1
    1-19(12-10-18)23(37,24(26
    ,27)28)25(29,30)31/h3-4,6
    -7,9-12,17,35,37H,5,8,13-
    16H2,1-2H3/t17-/m1/s1;
    SULHDXFOLGGHOR-QGZVFWFLSA-N    		 C[CH](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3ccc
    (cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;
    C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3cc
    c(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;
    C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=
    O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O;
    N2(c1ccccc1N(S2(=O)=O)CCCC(N(C(C)CCO)C)=
    O)Cc3ccc(cc3)C(C(F)(F)F)(O)C(F)(F)F; CC(
    CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3
    ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O    		 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide
    44986 ZBF
    CHEMBL4436073
    ZINC000210264517    		 4 C20 H24 N4 O8 InChI=1S/C20H24N4O8/c1-2-
    12-4-3-5-13(10-12)24(32)1
    7(26)9-7-15(19(29)22-11-1
    8(27)28)23-16(25)8-6-14(2
    1)20(30)31/h1,3-5,10,14-1
    5,32H,6-9,11,21H2,(H,22,2
    9)(H,23,25)(H,27,28)(H,30
    ,31)/t14-,15-/m0/s1;
    DNHXPPJCZZCCCC-GJZGRUSLSA-N    		 C#Cc1cccc(c1)N(C(=O)CCC(C(=O)NCC(=O)O)NC
    (=O)CCC(C(=O)O)N)O; N[CH](CCC(=O)N[CH](C
    CC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(
    O)=O; N[C@@H](CCC(=O)N[C@@H](CCC(=O)N(O)
    c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O; C#Cc
    1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)N
    C(=O)CC[C@@H](C(=O)O)N)O; O=C(O)C(N)CCC(
    =O)NC(C(=O)NCC(=O)O)CCC(=O)N(O)c1cc(C#C)
    ccc1    		 L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine
    44987 ZBH
    ZINC000170689220    		 0 C10 H14 N2 O S InChI=1S/C10H14N2OS/c1-6-
    12-9-7(10(13)11-2)4-3-5-8
    (9)14-6/h7H,3-5H2,1-2H3,(
    H,11,13)/t7-/m0/s1;
    VHNBWPBVIQVVTE-ZETCQYMHSA-N    		 Cc1nc2c(s1)CCC[C@@H]2C(=O)NC; CNC(=O)[CH
    ]1CCCc2sc(C)nc12; Cc1nc2c(s1)CCCC2C(=O)N
    C; CNC(=O)[C@H]1CCCc2sc(C)nc12; CNC(=O)C
    1CCCc2sc(C)nc21    		 (4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
    44988 ZBL 1 C25 H27 Cl N2 O7 InChI=1S/C25H27ClN2O7/c26
    -15-3-4-17-13(9-15)1-2-14
    -10-16(29)11-27-19(14)18(
    17)12-5-7-28(8-6-12)24-22
    (32)20(30)21(31)23(35-24)
    25(33)34/h3-4,9-11,20-24,
    29-32H,1-2,5-8H2,(H,33,34
    )/t20-,21-,22+,23-,24+/m0
    /s1;
    ABXRQJRQHLGUBH-OSFFKXSWSA-N    		 c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN(CC4)[C@
    H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O
    )O)O)O; c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN
    (CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)O; O[C@@H
    ]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O
    )N2CC\C(CC2)=C3/c4ccc(Cl)cc4CCc5cc(O)cnc
    35; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=
    O)N2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cc(O)cnc3
    5; Clc1cc2CCc3cc(O)cnc3C(\c2cc1)=C1/CCN(
    CC1)C1OC(C(O)C(O)C1O)C(=O)O    		 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
    44989 ZBR
    ZINC000003121805    		 0 C9 H9 Br3 InChI=1S/C9H9Br3/c10-4-7-
    1-8(5-11)3-9(2-7)6-12/h1-
    3H,4-6H2;
    GHITVUOBZBZMND-UHFFFAOYSA-N    		 c1c(cc(cc1CBr)CBr)CBr; BrCc1cc(CBr)cc(CB
    r)c1; BrCc1cc(cc(c1)CBr)CBr    		 1,3,5-tris(bromomethyl)benzene
    44990 ZBS
    CHEMBL4466771
    ZINC000219752308    		 1 C26 H26 N6 O2 S2 InChI=1S/C26H26N6O2S2/c33
    -21(14-17-8-3-1-4-9-17)27
    -25-31-29-23(35-25)19-12-
    7-13-20(16-19)24-30-32-26
    (36-24)28-22(34)15-18-10-
    5-2-6-11-18/h1-6,8-11,19-
    20H,7,12-16H2,(H,27,31,33
    )(H,28,32,34)/t19-,20-/m0
    /s1;
    CZRVPWLXPUBTMI-PMACEKPBSA-N    		 c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H
    ](C3)c4nnc(s4)NC(=O)Cc5ccccc5; O=C(Cc1cc
    ccc1)Nc2sc(nn2)[CH]3CCC[CH](C3)c4sc(NC(=
    O)Cc5ccccc5)nn4; c1ccc(cc1)CC(=O)Nc2nnc(
    s2)C3CCCC(C3)c4nnc(s4)NC(=O)Cc5ccccc5; O
    =C(Cc1ccccc1)Nc2sc(nn2)[C@H]3CCC[C@@H](C
    3)c4sc(NC(=O)Cc5ccccc5)nn4    		 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
    44991 ZBT
    ZINC000005924623    		 1 C7 H13 N S InChI=1S/C7H13NS/c1-3-6(2
    )7-8-4-5-9-7/h6H,3-5H2,1-
    2H3/t6-/m0/s1;
    SAWWKXMIPYUIBW-LURJTMIESA-N    		 CC[C@H](C)C1=NCCS1; CC[CH](C)C1=NCCS1; C
    CC(C)C1=NCCS1    		 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole;
    2-sec-butyl-4,5-dihydrothiazole
    44992 ZBU
    ZINC000066156999    		 0 C7 H10 Br N2 O7 P InChI=1S/C7H10BrN2O7P/c8-
    5-2-10(7(13)9-6(5)12)1-4(
    11)3-17-18(14,15)16/h2,4,
    11H,1,3H2,(H,9,12,13)(H2,
    14,15,16)/t4-/m0/s1;
    FBWWPOSBYNOMBJ-BYPYZUCNSA-N    		 O[CH](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O
    ; O[C@H](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC
    1=O; C1=C(C(=O)NC(=O)N1CC(COP(=O)(O)O)O)
    Br; O=P(O)(O)OCC(O)CN1C=C(Br)C(=O)NC1=O;
    C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O
    )Br    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-5-BROMO-URACIL
    44993 ZBX 1 C23 H22 O8 InChI=1S/C23H22O8/c1-4-23
    (29)9-13(24)15-11(18(23)2
    2(28)31-3)8-12-17(20(15)2
    6)21(27)16-10(19(12)25)6-
    5-7-14(16)30-2/h5-8,13,18
    ,24,26,29H,4,9H2,1-3H3/t1
    3-,18-,23+/m0/s1;
    NTDFHDOMIWPJES-PUMRXTBWSA-N    		 CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(OC)
    cccc4C(=O)c3cc2[C@H]1C(=O)OC; CC[C@]1(C[
    C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4OC)C3=O
    )[C@H]1C(=O)OC)O)O; CC[C]1(O)C[CH](O)c2c
    (O)c3C(=O)c4c(OC)cccc4C(=O)c3cc2[CH]1C(=
    O)OC; CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc
    4OC)C3=O)C1C(=O)OC)O)O    		 methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
    44994 ZBZ
    CHEMBL1561060
    ZINC000003954221    		 0 C10 H11 N O3 S InChI=1S/C10H11NO3S/c11-8
    (9(12)13)6-15-10(14)7-4-2
    -1-3-5-7/h1-5,8H,6,11H2,(
    H,12,13)/t8-/m0/s1;
    OWZIPHGMKGSDNS-QMMMGPOBSA-N    		 O=C(O)C(N)CSC(=O)c1ccccc1; c1ccc(cc1)C(=
    O)SC[C@@H](C(=O)O)N; c1ccc(cc1)C(=O)SCC(
    C(=O)O)N; N[CH](CSC(=O)c1ccccc1)C(O)=O;
    N[C@@H](CSC(=O)c1ccccc1)C(O)=O    		 S-(phenylcarbonyl)-L-cysteine
    44995 ZC0
    CHEMBL3287379
    DB12796    		 0 C18 H15 F3 N4 O4 InChI=1S/C18H15F3N4O4/c19
    -12-7-13(15(20)16(21)17(1
    2)24-4-1-10(26)2-5-24)25-
    9-11(29-18(25)27)8-22-14-
    3-6-28-23-14/h1,3-4,6-7,1
    1H,2,5,8-9H2,(H,22,23)/t1
    1-/m0/s1;
    SULYVXZZUMRQAX-NSHDSACASA-N    		 c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F
    )N4CCC(=O)C=C4)F; c1conc1NCC2CN(C(=O)O2)
    c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F; Fc1cc(N2
    C[CH](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O
    )C=C4; Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(
    F)c(F)c1N4CCC(=O)C=C4; C1C(C=CN(C1)c2c(F
    )cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O    		 Contezolid;
    MRX-I
    44996 ZC3
    CHEMBL4754469
    ZINC000584905719    		 4 C9 H7 F N2 O S InChI=1S/C9H7FN2OS/c1-5(1
    3)11-9-12-7-4-6(10)2-3-8(
    7)14-9/h2-4H,1H3,(H,11,12
    ,13);
    DPZGAHUPXGKUDW-UHFFFAOYSA-N    		 CC(=O)Nc1nc2cc(ccc2s1)F; CC(=O)Nc1sc2ccc
    (F)cc2n1    		 N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE
    44997 ZC9
    ZINC000143636950    		 2 C8 H6 F N3 InChI=1S/C8H6FN3/c9-6-1-2
    -7(10-5-6)8-3-4-11-12-8/h
    1-5H,(H,11,12);
    ADBMBWBQQBJNNZ-UHFFFAOYSA-N    		 c1cc(ncc1F)c2ccn[nH]2; Fc1cnc(cc1)c1ccn[
    NH]1; Fc1ccc(nc1)c2[nH]ncc2    		 (2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
    44998 ZCD
    ZINC000004097152    		 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4-,5+,6+/m
    1/s1;
    WQZGKKKJIJFFOK-RDQKPOQOSA-N    		 OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1
    O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH
    ](O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@@H
    ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C(
    O)C(OC(O)C1O)CO    		 alpha-D-idopyranose;
    alpha-D-idose;
    D-idose;
    idose
    44999 ZCF
    CHEMBL1598041    		 1 C21 H27 N5 O InChI=1S/C21H27N5O/c1-16-
    6-8-18(9-7-16)21(10-4-5-1
    1-21)20-23-19(27-24-20)15
    -25(2)13-17-12-22-26(3)14
    -17/h6-9,12,14H,4-5,10-11
    ,13,15H2,1-3H3;
    PYOPUXIDJFMOTI-UHFFFAOYSA-N    		 CN(Cc1cnn(C)c1)Cc2onc(n2)C3(CCCC3)c4ccc(
    C)cc4; Cn1cc(cn1)CN(C)Cc1nc(no1)C1(CCCC1
    )c1ccc(C)cc1; Cc1ccc(cc1)C2(CCCC2)c3nc(o
    n3)CN(C)Cc4cnn(c4)C    		 N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
    45000 ZCI
    CHEMBL292042
    ZINC000002577854    		 3 C3 H3 Br N2 InChI=1S/C3H3BrN2/c4-3-5-
    1-2-6-3/h1-2H,(H,5,6);
    AXHRGVJWDJDYPO-UHFFFAOYSA-N    		 Brc1[nH]ccn1; Brc1ncc[NH]1; c1cnc([nH]1)
    Br    		 2-bromo-1H-imidazole
    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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