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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    39801
    UTJ
    CHEMBL4783333    		 8 C17 H12 N2 InChI=1S/C17H12N2/c18-10-
    8-13-4-6-15(7-5-13)16-3-1
    -2-14-9-11-19-12-17(14)16
    /h1-7,9,11-12H,8H2;
    VIKXCGPZKMDDCE-UHFFFAOYSA-N    		 n2cc3c(c1ccc(cc1)CC#N)cccc3cc2; c1cc2ccn
    cc2c(c1)c3ccc(cc3)CC#N; N#CCc1ccc(cc1)c2
    cccc3ccncc23    		 [4-(isoquinolin-8-yl)phenyl]acetonitrile
    39802
    UTK
    CHEMBL5220817    		 8 C19 H11 F4 N3 O3 InChI=1S/C19H11F4N3O3/c1-
    10-4-2-3-5-14(10)29-15-7-
    13(12(20)6-11(15)9-24)26-
    17(27)8-16(19(21,22)23)25
    -18(26)28/h2-8H,1H3,(H,25
    ,28);
    QAJPTKHORNTZSQ-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F
    )c(F)cc2C#N; Cc1ccccc1Oc2cc(c(cc2C#N)F)N
    3C(=O)C=C(NC3=O)C(F)(F)F    		 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile;
    4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
    39803
    UTL    		 1 C24 H36 F N3 O8 S2 InChI=1S/C24H36FN3O8S2/c1
    -14(2)11-18(28-23(32)36-1
    3-24(3,4)37-17-7-5-16(25)
    6-8-17)21(30)27-19(22(31)
    38(33,34)35)12-15-9-10-26
    -20(15)29/h5-8,14-15,18-1
    9,22,31H,9-13H2,1-4H3,(H,
    26,29)(H,27,30)(H,28,32)(
    H,33,34,35)/t15-,18-,19-,
    22+/m0/s1;
    RNLOCKQDGJKCGN-SXTKRDDTSA-N    		 CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccc(F)cc1)
    C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)[S]
    (O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(
    O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2ccc(cc2)F
    ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC
    1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc
    2ccc(cc2)F; CC(C)CC(NC(=O)OCC(C)(C)Sc1cc
    c(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccc(F)cc
    1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)
    (=O)=O    		 (1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    39804
    UTM
    CHEMBL4779359    		 6 C36 H35 N5 O InChI=1S/C36H35N5O/c1-40-
    16-18-41(19-17-40)25-27-7
    -10-31(33-24-39-35-12-15-
    38-23-34(33)35)36(21-27)4
    2-20-13-26-5-8-29(9-6-26)
    30-4-2-3-28-11-14-37-22-3
    2(28)30/h2-12,14-15,21-24
    ,39H,13,16-20,25H2,1H3;
    KOBJJEIVOKWSMI-UHFFFAOYSA-N    		 N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)c
    cnc4)c5cnc6c5cncc6)CCN(C)CC7; CN1CCN(CC1
    )Cc2ccc(c(OCCc3ccc(cc3)c4cccc5ccncc45)c2
    )c6c[nH]c7ccncc67; CN1CCN(CC1)Cc2ccc(c(c
    2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c
    6cncc7    		 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
    39805
    UTN
    CHEMBL5220178    		 4 C20 H14 F3 N3 O4 InChI=1S/C20H14F3N3O4/c1-
    11-5-3-4-6-14(11)30-15-8-
    13(16(29-2)7-12(15)10-24)
    26-18(27)9-17(20(21,22)23
    )25-19(26)28/h3-9H,1-2H3,
    (H,25,28);
    GSEHYSQYWAECFH-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(c(cc2C#N)OC)N3C(=O)C=C(NC
    3=O)C(F)(F)F; COc1cc(C#N)c(Oc2ccccc2C)cc
    1N3C(=O)NC(=CC3=O)C(F)(F)F    		 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile;
    4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile
    39806
    UTO    		 2 C13 H12 N8 O InChI=1S/C13H12N8O/c14-17
    -13(22)9-4-5-10(16-7-9)8-
    21-19-12(18-20-21)11-3-1-
    2-6-15-11/h1-7H,8,14H2,(H
    ,17,22);
    IWWAKCDINOGSFB-UHFFFAOYSA-N    		 c1ccnc(c1)c2nnn(n2)Cc3ccc(cn3)C(=O)NN; N
    NC(=O)c1ccc(Cn2nnc(n2)c3ccccn3)nc1    		 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide
    39807
    UTP
    CHEMBL336296
    DB04005
    ZINC000003861755    		 468 C9 H15 N2 O15 P3 InChI=1S/C9H15N2O15P3/c12
    -5-1-2-11(9(15)10-5)8-7(1
    4)6(13)4(24-8)3-23-28(19,
    20)26-29(21,22)25-27(16,1
    7)18/h1-2,4,6-8,13-14H,3H
    2,(H,19,20)(H,21,22)(H,10
    ,12,15)(H2,16,17,18)/t4-,
    6-,7-,8-/m1/s1;
    PGAVKCOVUIYSFO-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(
    O)O)O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)N
    C2=O; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(
    N1C(=O)NC(=O)C=C1)C(O)C2O; C1=CN(C(=O)NC
    1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)
    (O)O)O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]
    1CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)N
    2C=CC(=O)NC2=O    		 URIDINE 5'-TRIPHOSPHATE
    39808
    UTQ
    CHEMBL5219727    		 4 C13 H10 Cl F3 N2 O4 InChI=1S/C13H10ClF3N2O4/c
    1-22-8-4-9(23-2)7(3-6(8)1
    4)19-11(20)5-10(13(15,16)
    17)18-12(19)21/h3-5H,1-2H
    3,(H,18,21);
    GGXGVBQCYFQKID-UHFFFAOYSA-N    		 COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl
    )OC; COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)
    C(F)(F)F    		 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione;
    3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione
    39809
    UTS
    CHEMBL347547
    ZINC000000167633    		 8 C14 H12 N2 InChI=1S/C14H12N2/c1-2-6-
    12(7-3-1)10-16-11-15-13-8
    -4-5-9-14(13)16/h1-9,11H,
    10H2;
    MNEIJGDSFRHGMS-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2cnc3c2cccc3; c1ccc(cc1)Cn3c
    nc2ccccc23; C(n1cnc2ccccc12)c3ccccc3    		 1-benzyl-1H-benzimidazole
    39810
    UTT
    CHEMBL3617078
    ZINC000473249053    		 4 C17 H14 Cl F2 N5 O InChI=1S/C17H14ClF2N5O/c1
    -2-3-10-6-15(26)25-17(23-
    10)11(7-21)16(24-25)22-8-
    12-13(19)4-9(18)5-14(12)2
    0/h4-6,23H,2-3,8H2,1H3,(H
    ,22,24);
    SFUVDTPAOHEGCQ-UHFFFAOYSA-N    		 CCCC1=CC(=O)n2c(c(c(n2)NCc3c(cc(cc3F)Cl)
    F)C#N)N1; CCCC1=CC(=O)n2nc(NCc3c(F)cc(Cl
    )cc3F)c(C#N)c2N1    		 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;
    2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
    39811
    UTU    		 1 C24 H36 F N3 O8 S2 InChI=1S/C24H36FN3O8S2/c1
    -14(2)10-18(28-23(32)36-1
    3-24(3,4)37-17-7-5-6-16(2
    5)12-17)21(30)27-19(22(31
    )38(33,34)35)11-15-8-9-26
    -20(15)29/h5-7,12,14-15,1
    8-19,22,31H,8-11,13H2,1-4
    H3,(H,26,29)(H,27,30)(H,2
    8,32)(H,33,34,35)/t15-,18
    -,19-,22+/m0/s1;
    NFWHYSIWTLKADL-SXTKRDDTSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(
    c2)F; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(
    F)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S]
    (O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(
    O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)F
    ; CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(
    =O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O; CC(C)C[
    C@H](NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)N[
    C@@H](C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=O)
    =O    		 [2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    39812
    UTV
    CHEMBL4779860    		 2 C18 H17 F2 N O2 InChI=1S/C18H17F2NO2/c1-1
    8(2)16(22)13-8-4-5-9-14(1
    3)21(18)11-12-7-3-6-10-15
    (12)23-17(19)20/h3-10,17H
    ,11H2,1-2H3;
    BSVSFPVFEQPRJW-UHFFFAOYSA-N    		 c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F
    ; CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C;
    CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O    		 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one
    39813
    UTX    		 1 C21 H29 B12 N6 O5 S InChI=1S/C21H29B12N6O5S/c
    34-10-7-13-45(15-19(40)37
    -21(41)44-12-6-2-1-5-11-3
    6-20-18(14-35)38(42)16-8-
    3-4-9-17(16)39(20)43)33-2
    8-23-22-24(23,28)26(22)27
    (22)25(22,23)29(23,28,33)
    31(25,27,33)32(26,27,33)3
    0(24,26,28)33/h3-4,8-9,18
    ,20,36,42-43,45H,1-2,5-7,
    11-13,15H2,(H,37,40,41)/t
    18-,20+/m1/s1;
    XGCBKBJDCVTBSO-QUCCMNQESA-N    		 B1234B567B189B212B33%10B454B656B787B911B
    232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCC
    CNC1C(N(c2ccccc2N1O)O)C#N; ON1[C@H](NCCC
    CCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678
    [B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%
    17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%1
    8%20[B]4%16%19[B]58%15%17)[C@@H](C#N)N(O
    )c%21ccccc1%21; ON1[CH](NCCCCCCOC(=O)NC(
    =O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B
    ]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%
    19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%
    19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21    		 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide;
    UTX-97
    39814
    UTY
    CHEMBL4787790    		 6 C28 H29 N7 O3 InChI=1S/C28H29N7O3/c1-18
    -15-33(9-10-34(18)25(37)1
    7-36)27-31-13-21(14-32-27
    )19-6-7-22-24(11-19)35(28
    (2,3)26(22)38)16-20-5-4-8
    -30-23(20)12-29/h4-8,11,1
    3-14,18,36H,9-10,15-17H2,
    1-3H3/t18-/m1/s1;
    BTHCNWXORDNTOR-GOSISDBHSA-N    		 C[CH]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4C(=
    O)C(C)(C)N(Cc5cccnc5C#N)c4c3; C[C@@H]1CN
    (CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4
    =O)(C)C)Cc5cccnc5C#N; N5(CCN(c1ncc(cn1)c
    3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5
    C)C(CO)=O; CC1CN(CCN1C(=O)CO)c2ncc(cn2)c
    3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N; C[
    C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4C(=
    O)C(C)(C)N(Cc5cccnc5C#N)c4c3    		 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile
    39815
    UU0    		 1 C24 H32 O6 InChI=1S/C24H32O6/c1-13-9
    -18-17-6-5-15-10-16(26)7-
    8-21(15,3)24(17)20(30-24)
    11-22(18,4)23(13,28)19(27
    )12-29-14(2)25/h10,13,17-
    18,20,28H,5-9,11-12H2,1-4
    H3/t13-,17+,18-,20+,21+,2
    2+,23+,24-/m1/s1;
    FOTDGVYUEIORAP-ITJRCREZSA-N    		 C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]
    4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O
    )COC(C)=O; CC1CC2C3CCC4=CC(=O)CCC4(C35C(
    O5)CC2(C1(C(=O)COC(=O)C)O)C)C; C[C@@H]1C
    [C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]35
    [C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)
    C)C; C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(
    C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=
    O    		 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
    39816
    UU1
    ZINC000012357746    		 6 C5 H7 Br N2 O InChI=1S/C5H7BrN2O/c6-5-3
    -7-8(4-5)1-2-9/h3-4,9H,1-
    2H2;
    REUWXYIZJBMWPB-UHFFFAOYSA-N    		 n1cc(cn1CCO)Br; OCCn1cc(Br)cn1; c1c(cn(n
    1)CCO)Br    		 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol
    39817
    UU2    		 4 C25 H16 F3 N3 O3 InChI=1S/C25H16F3N3O3/c1-
    15-7-5-6-10-20(15)34-21-1
    2-19(18(26)11-16(21)14-29
    )31-23(32)13-22(30-24(31)
    33)25(27,28)17-8-3-2-4-9-
    17/h2-13H,1H3,(H,30,33);
    NQBGDOBAZUTXGR-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)c
    4ccccc4)c(F)cc2C#N; Cc1ccccc1Oc2cc(c(cc2
    C#N)F)N3C(=O)C=C(NC3=O)C(c4ccccc4)(F)F    		 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile;
    4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
    39818
    UU3
    DB08830
    ZINC000001532648    		 1 C6 H6 O6 InChI=1S/C6H6O6/c7-1-2(8)
    5-3(9)4(10)6(11)12-5/h2,5
    ,7-8H,1H2/t2-,5+/m0/s1;
    SBJKKFFYIZUCET-JLAZNSOCSA-N    		 OC[CH](O)[CH]1OC(=O)C(=O)C1=O; C(C(C1C(=
    O)C(=O)C(=O)O1)O)O; O=C1C(=O)OC(C1=O)C(O
    )CO; C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O
    )O; OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O    		 (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione;
    Dehydroascorbic Acid;
    DHA
    39819
    UU4
    ZINC000098209512    		 0 C7 H15 N3 O4 InChI=1S/C7H15N3O4/c8-4(7
    (13)14)1-2-10-6(12)5(9)3-
    11/h4-5,11H,1-3,8-9H2,(H,
    10,12)(H,13,14)/t4-,5-/m0
    /s1;
    UQPMTXADSVZMFD-WHFBIAKZSA-N    		 C(CNC(=O)C(CO)N)C(C(=O)O)N; N[C@@H](CO)C
    (=O)NCC[C@H](N)C(O)=O; O=C(NCCC(C(=O)O)N
    )C(N)CO; N[CH](CO)C(=O)NCC[CH](N)C(O)=O;
    C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N    		 (2S)-2-amino-4-(L-serylamino)butanoic acid
    39820
    UU5
    ZINC000098209513    		 0 C6 H10 N2 O4 InChI=1S/C6H10N2O4/c7-4(6
    (11)12)1-2-8-5(10)3-9/h3-
    4H,1-2,7H2,(H,8,10)(H,11,
    12)/t4-/m0/s1;
    RNHFRBDAMXTSCX-BYPYZUCNSA-N    		 C(CNC(=O)C=O)C(C(=O)O)N; O=C(O)C(N)CCNC(
    =O)C=O; C(CNC(=O)C=O)[C@@H](C(=O)O)N; N[
    CH](CCNC(=O)C=O)C(O)=O; N[C@@H](CCNC(=O)
    C=O)C(O)=O    		 (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid
    39821
    UU6    		 1 C24 H26 N6 O InChI=1S/C24H26N6O/c1-22(
    2,31)18-5-8-29(12-18)20-1
    0-21(27-15-26-20)30-19-9-
    17(4-3-16(19)11-28-30)24(
    14-25)13-23(24)6-7-23/h3-
    4,9-11,15,18,31H,5-8,12-1
    3H2,1-2H3/t18-,24-/m1/s1;
    JCQABEJXHUSDMF-HOYKHHGWSA-N    		 CC(C)([C@@H]1CCN(C1)c2cc(ncn2)n3c4cc(ccc
    4cn3)[C@@]5(CC56CC6)C#N)O; CC(C)(O)C1CCN
    (C1)c1cc(ncn1)n1ncc2ccc(cc21)C1(C#N)CC21
    CC2; CC(C)(C1CCN(C1)c2cc(ncn2)n3c4cc(ccc
    4cn3)C5(CC56CC6)C#N)O; CC(C)(O)[CH]1CCN(
    C1)c2cc(ncn2)n3ncc4ccc(cc34)[C]5(CC56CC6
    )C#N; CC(C)(O)[C@@H]1CCN(C1)c2cc(ncn2)n3
    ncc4ccc(cc34)[C@@]5(CC56CC6)C#N    		 (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile
    39822
    UU8    		 4 C24 H16 F N3 O5 S InChI=1S/C24H16FN3O5S/c1-
    15-7-5-6-10-20(15)33-21-1
    2-19(18(25)11-16(21)14-26
    )28-23(29)13-22(27-24(28)
    30)34(31,32)17-8-3-2-4-9-
    17/h2-13H,1H3,(H,27,30);
    UEXYFUXKLNKXPX-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3
    =O)S(=O)(=O)c4ccccc4; Cc1ccccc1Oc2cc(N3C
    (=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc
    2C#N    		 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile;
    4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
    39823
    UUA    		 1 C9 H10 N2 O7 InChI=1S/C9H10N2O7/c12-3-
    1-2-11(9(17)10-3)7-5(14)4
    (13)6(18-7)8(15)16/h1-2,4
    -7,13-14H,(H,15,16)(H,10,
    12,17)/t4-,5+,6-,7+/m0/s1;
    BMDRRZMODBSOPT-BNHYGAARSA-N    		 O[C@@H]1[C@H](O)[C@H](O[C@H]1N2C=CC(=O)N
    C2=O)C(O)=O; O[CH]1[CH](O)[CH](O[CH]1N2C
    =CC(=O)NC2=O)C(O)=O; C1=CN(C(=O)NC1=O)[C
    @H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O; C
    1=CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)O)O)O    		 uridine uronic acid
    39824
    UUB    		 2 C30 H33 Cl N6 O2 InChI=1S/C30H33ClN6O2/c1-
    37(2)16-6-11-28(38)34-20-
    12-14-22(15-13-20)39-23-8
    -5-7-21(17-23)35-30-33-19
    -26(31)29(36-30)25-18-32-
    27-10-4-3-9-24(25)27/h3-4
    ,6,9-15,18-19,21,23,32H,5
    ,7-8,16-17H2,1-2H3,(H,34,
    38)(H,33,35,36)/t21-,23-/
    m1/s1;
    DMUSMYYDKCXFKR-FYYLOGMGSA-N    		 CN(C)CC=CC(=O)Nc1ccc(O[CH]2CCC[CH](C2)Nc
    3ncc(Cl)c(n3)c4c[nH]c5ccccc45)cc1; CN(C)
    C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C
    2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl; CN(C)
    C/C=C/C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc
    3ncc(Cl)c(n3)c4c[nH]c5ccccc45)cc1; CN(C)
    CC=CC(=O)Nc1ccc(cc1)OC2CCCC(C2)Nc3ncc(c(
    n3)c4c[nH]c5c4cccc5)Cl    		 (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide;
    (~{E})-~{N}-[4-[(1~{R},3~{R})-3-[[5-chloranyl-4-(1~{H}-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide
    39825
    UUD
    CHEMBL2206133
    ZINC000000126108    		 4 C9 H8 N2 O S InChI=1S/C9H8N2OS/c1-6(12
    )10-9-11-7-4-2-3-5-8(7)13
    -9/h2-5H,1H3,(H,10,11,12);
    RIYZWBJLPINWTC-UHFFFAOYSA-N    		 CC(=O)N=C1Nc2ccccc2S1; O=C(/N=C2\Sc1cccc
    c1N2)C; CC(=O)/N=C\1/Nc2ccccc2S1    		 N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE
    39826
    UUE    		 1 C21 H28 B F2 N5 InChI=1S/C21H28BF2N5/c1-6
    -27-13-18(25-26-27)9-7-8-
    10-19-20-14(2)11-16(4)28(
    20)22(23,24)29-17(5)12-15
    (3)21(19)29/h11-13H,6-10H
    2,1-5H3;
    SOYAGSBCXYKTSE-UHFFFAOYSA-N    		 CCn1cc(CCCCC2=C3C(=CC(=[N+]3[B-](F)(F)n4
    c(C)cc(C)c24)C)C)nn1; [B-]1(n2c(cc(c2C(=
    C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F
    )F    		 8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene
    39827
    UUF    		 1 C22 H23 N7 O InChI=1S/C22H23N7O/c1-21(
    2,30)22-9-16(10-22)28(12-
    22)19-8-20(24-13-23-19)29
    -18-7-14(17-5-6-25-27-17)
    3-4-15(18)11-26-29/h3-8,1
    1,13,16,30H,9-10,12H2,1-2
    H3,(H,25,27)/t16-,22-;
    VGHHZMPDXMQZDE-CIEDQVTBSA-N    		 CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)n1ncc2cc
    c(cc12)c1ccn[NH]1; CC(C)(C12CC(C1)N(C2)c
    3cc(ncn3)n4c5cc(ccc5cn4)c6ccn[nH]6)O; CC
    (C)(O)C12CC(C1)N(C2)c3cc(ncn3)n4ncc5ccc(
    cc45)c6[nH]ncc6    		 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
    39828
    UUG
    ZINC000012359394    		 2 C8 H9 Br O2 InChI=1S/C8H9BrO2/c1-11-8
    -4-7(9)3-2-6(8)5-10/h2-4,
    10H,5H2,1H3;
    HBEIHPSICGGZIF-UHFFFAOYSA-N    		 COc1cc(Br)ccc1CO; COc1cc(ccc1CO)Br; c1(c
    (OC)cc(cc1)Br)CO    		 (4-bromo-2-methoxyphenyl)methanol
    39829
    UUH    		 2 C26 H36 B F2 N5 O4 InChI=1S/C26H36BF2N5O4/c1
    -14-9-16(3)33-23(14)19(24
    -15(2)10-17(4)34(24)27(33
    ,28)29)8-6-5-7-18-12-32(3
    1-30-18)13-20-21(35)11-22
    (36)26(38)25(20)37/h9-10,
    12,20-22,25-26,35-38H,5-8
    ,11,13H2,1-4H3/t20-,21-,2
    2-,25+,26+/m0/s1;
    FESFUVRFRDTLFV-GZBLQCQNSA-N    		 Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3
    =C2CCCCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O)
    [CH]5O)nn4; [B-]1(n2c(cc(c2C(=C3[N+]1=C(
    C=C3C)C)CCCCc4cn(nn4)CC5C(CC(C(C5O)O)O)O
    )C)C)(F)F; [B-]1(n2c(cc(c2C(=C3[N+]1=C(C
    =C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]
    ([C@H]([C@@H]5O)O)O)O)C)C)(F)F; Cc1cc(C)
    c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCc
    4cn(C[C@H]5[C@@H](O)C[C@H](O)[C@@H](O)[C
    @@H]5O)nn4    		 (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
    39830
    UUI    		 5 C22 H24 Cl2 N4 O2 S InChI=1S/C22H24Cl2N4O2S/c
    1-2-15-13-27(14-18-6-3-4-
    9-26-18)22(29)21-8-5-7-20
    (15)28(21)31(25,30)19-11-
    16(23)10-17(24)12-19/h2-4
    ,6,9-12,15,20-21,25H,1,5,
    7-8,13-14H2/t15-,20+,21-,
    31-/m0/s1;
    CQIWVXGAJXNGRQ-BJHMJODQSA-N    		 Clc1cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH
    ]2C(=O)N(C[CH]3C=C)Cc4ccccn4; C=CC1CN(C(
    =O)C2CCCC1N2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc
    4ccccn4; Clc1cc(Cl)cc(c1)[S@@](=N)(=O)N2
    [C@@H]3CCC[C@H]2C(=O)N(C[C@@H]3C=C)Cc4cc
    ccn4; C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N
    2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4    		 (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    39831
    UUJ
    CHEMBL2323844
    ZINC000002516785    		 5 C7 H4 Br N O InChI=1S/C7H4BrNO/c8-6-1-
    2-7(10)5(3-6)4-9/h1-3,10H;
    PVCONXMDUZOPJH-UHFFFAOYSA-N    		 c1cc(c(cc1Br)C#N)O; Oc1ccc(Br)cc1C#N; c1
    (cc(c(cc1)O)C#N)Br    		 5-bromo-2-hydroxybenzonitrile
    39832
    UUK    		 1 C29 H41 N3 O4 InChI=1S/C29H41N3O4/c1-22
    (2)19-25(31-28(35)36-29(3
    ,4)5)27(34)30-18-12-17-26
    (33)32(20-23-13-8-6-9-14-
    23)21-24-15-10-7-11-16-24
    /h6-11,13-16,22,25H,12,17
    -21H2,1-5H3,(H,30,34)(H,3
    1,35)/t25-/m0/s1;
    RIIFVLHFONFLOV-VWLOTQADSA-N    		 CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)C
    c2ccccc2)NC(=O)OC(C)(C)C; CC(C)C[CH](NC(
    =O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)C
    c2ccccc2; CC(C)C[C@H](NC(=O)OC(C)(C)C)C(
    =O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2; CC(C)
    CC(C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)N
    C(=O)OC(C)(C)C    		 tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate;
    ~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate;
    acrylamide inhibitor Gu3110
    39833
    UUL
    CHEMBL1076555
    ZINC000000206382    		 13 C15 H11 Cl N2 O S InChI=1S/C15H11ClN2OS/c16
    -11-3-1-10(2-4-11)14-9-20
    -15(18-14)17-12-5-7-13(19
    )8-6-12/h1-9,19H,(H,17,18
    );
    ZFGXZJKLOFCECI-UHFFFAOYSA-N    		 Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1; Clc3c
    cc(c1nc(sc1)Nc2ccc(O)cc2)cc3; c1cc(ccc1c
    2csc(n2)Nc3ccc(cc3)O)Cl    		 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
    39834
    UUM
    ZINC000042752802    		 2 C9 H10 N4 O2 InChI=1S/C9H10N4O2/c1-6-3
    -8(12-15-6)9(14)11-7-4-10
    -13(2)5-7/h3-5H,1-2H3,(H,
    11,14);
    NZGVYOGTUDYUSZ-UHFFFAOYSA-N    		 Cc1cc(no1)C(=O)Nc2cnn(c2)C; Cn1cc(NC(=O)
    c2cc(C)on2)cn1; N(c1cn(C)nc1)C(=O)c2noc(
    C)c2    		 5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
    39835
    UUN    		 2 C12 H11 N3 O3 S InChI=1S/C12H11N3O3S/c16-
    10-6-9(8-4-2-1-3-5-8)13-1
    2(14-10)19-7-11(17)15-18/
    h1-6,18H,7H2,(H,15,17)(H,
    13,14,16);
    HEUAAARBOBGFCJ-UHFFFAOYSA-N    		 ONC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2; c1ccc
    (cc1)C2=CC(=O)NC(=N2)SCC(=O)NO; C(SC=1NC
    (=O)C=C(N=1)c2ccccc2)C(NO)=O    		 N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
    39836
    UUP
    ZINC000043522977    		 2 C10 H10 N4 O InChI=1S/C10H10N4O/c15-10
    (13-7-2-3-7)8-6-12-14-5-1
    -4-11-9(8)14/h1,4-7H,2-3H
    2,(H,13,15);
    IDVABKGFSZEUEE-UHFFFAOYSA-N    		 c1cnc2c(cnn2c1)C(=O)NC3CC3; n1n3cccnc3c(
    c1)C(NC2CC2)=O; O=C(NC1CC1)c2cnn3cccnc23    		 N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
    39837
    UUQ
    CHEMBL5219349    		 3 C23 H14 F3 N3 O3 InChI=1S/C23H14F3N3O3/c1-
    13-6-2-5-9-18(13)32-19-10
    -17(15-8-4-3-7-14(15)16(1
    9)12-27)29-21(30)11-20(23
    (24,25)26)28-22(29)31/h2-
    11H,1H3,(H,28,31);
    JBKRLZPXWNTYBD-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F
    )c4ccccc4c2C#N; Cc1ccccc1Oc2cc(c3ccccc3c
    2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F    		 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile;
    4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
    39838
    UUR    		 3 C22 H33 N3 O8 S2 InChI=1S/C22H33N3O8S2/c1-
    14(2)12-17(25-22(29)33-10
    -11-34-16-6-4-3-5-7-16)20
    (27)24-18(21(28)35(30,31)
    32)13-15-8-9-23-19(15)26/
    h3-7,14-15,17-18,21,28H,8
    -13H2,1-2H3,(H,23,26)(H,2
    4,27)(H,25,29)(H,30,31,32
    )/t15-,17-,18-,21-/m0/s1;
    AUIXPEVQDXBTHO-DBSRCYSRSA-N    		 CC(C)C[CH](NC(=O)OCCSc1ccccc1)C(=O)N[CH]
    (C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O; CC(C
    )CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC
    (=O)OCCSc2ccccc2; CC(C)CC(NC(=O)OCCSc1cc
    ccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O;
    CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@@H](O)S(=O)(=O)O)NC(=O)OCCSc2ccccc2
    ; CC(C)C[C@H](NC(=O)OCCSc1ccccc1)C(=O)N[
    C@@H](C[C@@H]2CCNC2=O)[C@@H](O)[S](O)(=O
    )=O    		 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    39839
    UUS    		 5 C7 H8 Br N O2 InChI=1S/C7H8BrNO2/c8-6-1
    -2-9(3-4-10)7(11)5-6/h1-2
    ,5,10H,3-4H2;
    GQPBXJHZWYTNFM-UHFFFAOYSA-N    		 C1=CN(C(=O)C=C1Br)CCO; OCCN1C=CC(=CC1=O)
    Br; C=1C(Br)=CC(N(C=1)CCO)=O    		 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
    39840
    UUT
    ZINC000013828061    		 1 C9 H20 O4 InChI=1S/C9H20O4/c1-7(11)
    5-12-9(3)6-13-8(2)4-10/h7
    -11H,4-6H2,1-3H3/t7-,8-,9
    -/m0/s1;
    LCZVSXRMYJUNFX-CIUDSAMLSA-N    		 C[C@@H](CO)OC[C@H](C)OC[C@H](C)O; C[CH](
    O)CO[CH](C)CO[CH](C)CO; CC(CO)OCC(C)OCC(
    C)O; C[C@H](O)CO[C@@H](C)CO[C@@H](C)CO    		 (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol;
    (2~{S})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol
    39841
    UUU    		 11 C7 H15 N O5 InChI=1S/C7H15NO5/c8-3-2(
    1-9)4(10)6(12)7(13)5(3)11
    /h2-7,9-13H,1,8H2/t2-,3+,
    4-,5-,6-,7-/m0/s1;
    SWVTZDDSAFUTKS-OUIVRQFQSA-N    		 C(C1C(C(C(C(C1O)O)O)O)N)O; C([C@@H]1[C@@
    H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O; N[
    CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO;
    N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](
    O)[C@H]1CO; C1(C(C(C(C(C1CO)N)O)O)O)O    		 (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
    39842
    UUV
    CHEMBL4580967
    ZINC000038074742    		 2 C6 H9 Br N2 O InChI=1S/C6H9BrN2O/c1-10-
    3-2-9-5-6(7)4-8-9/h4-5H,2
    -3H2,1H3;
    SJIMZWZHTDHXRI-UHFFFAOYSA-N    		 COCCn1cc(Br)cn1; COCCn1cc(cn1)Br; n1n(cc
    (c1)Br)CCOC    		 4-bromo-1-(2-methoxyethyl)-1H-pyrazole
    39843
    UUW    		 1 C31 H46 N4 O3 InChI=1S/C31H46N4O3/c1-25
    (2)22-28(33-29(36)18-11-1
    2-21-34(3)4)31(38)32-20-1
    3-19-30(37)35(23-26-14-7-
    5-8-15-26)24-27-16-9-6-10
    -17-27/h5-10,14-17,25,28H
    ,11-13,18-24H2,1-4H3,(H,3
    2,38)(H,33,36)/t28-/m0/s1;
    MYOVPOSHNFZORZ-NDEPHWFRSA-N    		 CC(C)C[C@H](NC(=O)CCCCN(C)C)C(=O)NCCCC(=
    O)N(Cc1ccccc1)Cc2ccccc2; CC(C)C[C@@H](C(
    =O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)
    CCCCN(C)C; CC(C)CC(C(=O)NCCCC(=O)N(Cc1cc
    ccc1)Cc2ccccc2)NC(=O)CCCCN(C)C; CC(C)C[C
    H](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1cc
    ccc1)Cc2ccccc2    		 N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide;
    (2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide;
    activity-based probe Gu3416;
    (2S)-N-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide
    39844
    UUX    		 2 C24 H29 N5 InChI=1S/C24H29N5/c1-16-1
    9(15-17-11-7-5-8-12-17)25
    -22(24(2,3)4)21(23-26-28-
    29-27-23)20(16)18-13-9-6-
    10-14-18/h5-14,20-22,25H,
    15H2,1-4H3,(H,26,27,28,29
    )/t20-,21+,22-/m1/s1;
    DVXCHZGZZPDKCD-BHIFYINESA-N    		 CC(C)(C)C1NC(Cc2ccccc2)=C(C)C(C1c1nnn[NH
    ]1)c1ccccc1; CC1=C(Cc2ccccc2)N[CH]([CH](
    [CH]1c3ccccc3)c4[nH]nnn4)C(C)(C)C; CC1=C
    (NC(C(C1c2ccccc2)c3[nH]nnn3)C(C)(C)C)Cc4
    ccccc4; CC1=C(Cc2ccccc2)N[C@H]([C@H]([C@
    H]1c3ccccc3)c4[nH]nnn4)C(C)(C)C    		 (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine
    39845
    UUY
    ZINC000000167422    		 2 C8 H12 N2 O InChI=1S/C8H12N2O/c1-10(6
    -7-11)8-4-2-3-5-9-8/h2-5,
    11H,6-7H2,1H3;
    MWGKOPUDDQZERY-UHFFFAOYSA-N    		 n1ccccc1N(C)CCO; CN(CCO)c1ccccn1 2-[methyl(pyridin-2-yl)amino]ethan-1-ol
    39846
    UUZ    		 4 C22 H14 Cl F3 N2 O3 InChI=1S/C22H14ClF3N2O3/c
    1-12-6-2-5-9-16(12)31-17-
    10-15(13-7-3-4-8-14(13)20
    (17)23)28-19(29)11-18(22(
    24,25)26)27-21(28)30/h2-1
    0H,11H2,1H3;
    PRDYNMSOAPXRSB-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(c3ccccc3c2Cl)N4C(=O)CC(=N
    C4=O)C(F)(F)F; Cc1ccccc1Oc2cc(N3C(=O)CC(
    =NC3=O)C(F)(F)F)c4ccccc4c2Cl    		 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione
    39847
    UV1
    ZINC000083255245    		 1 C11 H13 N O2 InChI=1S/C11H13NO2/c1-14-
    10-6-3-5-9-8(10)4-2-7-11(
    13)12-9/h3,5-6H,2,4,7H2,1
    H3,(H,12,13);
    NEMWEYAZCVDHEF-UHFFFAOYSA-N    		 COc1cccc2NC(=O)CCCc12; COc1cccc2c1CCCC(=
    O)N2; c2c1NC(CCCc1c(OC)cc2)=O    		 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
    39848
    UV2    		 3 C22 H33 N3 O8 S2 InChI=1S/C22H33N3O8S2/c1-
    14(2)12-17(25-22(29)33-10
    -11-34-16-6-4-3-5-7-16)20
    (27)24-18(21(28)35(30,31)
    32)13-15-8-9-23-19(15)26/
    h3-7,14-15,17-18,21,28H,8
    -13H2,1-2H3,(H,23,26)(H,2
    4,27)(H,25,29)(H,30,31,32
    )/t15-,17-,18-,21+/m0/s1;
    AUIXPEVQDXBTHO-QUJKESNLSA-N    		 CC(C)C[CH](NC(=O)OCCSc1ccccc1)C(=O)N[CH]
    (C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O; CC(C
    )C[C@H](NC(=O)OCCSc1ccccc1)C(=O)N[C@@H](
    C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=O)=O; CC
    (C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)
    NC(=O)OCCSc2ccccc2; CC(C)CC(NC(=O)OCCSc1
    ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
    ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC
    1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCSc2ccccc
    2    		 (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid
    39849
    UV3
    ZINC000009970530    		 2 C11 H11 Br N2 O2 InChI=1S/C11H11BrN2O2/c12
    -8-3-1-2-7-6(5-14-10(7)8)
    4-9(13)11(15)16/h1-3,5,9,
    14H,4,13H2,(H,15,16)/t9-/
    m0/s1;
    VMMOOBBCGTVDGP-VIFPVBQESA-N    		 N[C@@H](Cc1c[nH]c2c(Br)cccc12)C(O)=O; c1
    cc2c(c[nH]c2c(c1)Br)CC(C(=O)O)N; N[CH](C
    c1c[nH]c2c(Br)cccc12)C(O)=O; c1cc2c(c[nH
    ]c2c(c1)Br)C[C@@H](C(=O)O)N    		 7-bromo-L-tryptophan
    39850
    UV4
    ZINC000584905702    		 4 C14 H10 N2 O3 InChI=1S/C14H10N2O3/c17-1
    3(10-5-2-1-3-6-10)15-12-8
    -4-7-11(9-12)14(18)16-19/
    h1-9H,(H,15,17);
    BZGLPPUMZXGKFN-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O; O=NC
    (=O)c1cccc(NC(=O)c2ccccc2)c1; c1ccc(C(=O
    )N=O)cc1NC(=O)c2ccccc2    		 3-(benzoylamino)-N-oxobenzamide
    39851
    UV5    		 4 C19 H13 F3 N6 O3 InChI=1S/C19H13F3N6O3/c1-
    23-16(30)10-5-7-27-13(8-1
    0)26-15(11-4-2-3-6-24-11)
    17(27)28-14(29)9-12(19(20
    ,21)22)25-18(28)31/h2-8H,
    9H2,1H3,(H,23,30);
    QORQCYPXGXBYBR-UHFFFAOYSA-N    		 CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)C
    C(=NC4=O)C(F)(F)F; CNC(=O)c1ccn2c(c1)nc(
    c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4    		 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide
    39852
    UV6    		 4 C18 H25 N O8 InChI=1S/C18H25NO8/c1-8-5
    -14(22)26-12-6-10(3-4-11(
    8)12)25-18-15(19-9(2)21)1
    7(24)16(23)13(7-20)27-18/
    h3-4,6,8,13-18,20,22-24H,
    5,7H2,1-2H3,(H,19,21)/t8-
    ,13-,14-,15-,16-,17-,18-/
    m1/s1;
    STEBYXKOKBUTKJ-ZAIAHUIPSA-N    		 C[C@@H]1C[C@@H](Oc2c1ccc(c2)O[C@H]3[C@@H
    ]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O
    ; C[C@@H]1C[C@H](O)Oc2cc(O[C@@H]3O[C@H](
    CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)ccc12;
    CC1CC(Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)
    NC(=O)C)O; C[CH]1C[CH](O)Oc2cc(O[CH]3O[C
    H](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12    		 ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
    39853
    UV7
    ZINC000037987327    		 3 C6 H9 N3 O InChI=1S/C6H9N3O/c1-5(10)
    7-2-6-3-8-9-4-6/h3-4H,2H2
    ,1H3,(H,7,10)(H,8,9);
    VFAFDDVJGKOBTH-UHFFFAOYSA-N    		 CC(=O)NCc1c[nH]nc1; n1cc(cn1)CNC(C)=O N-[(1H-pyrazol-4-yl)methyl]acetamide
    39854
    UV8    		 1 C24 H27 Br O2 InChI=1S/C24H27BrO2/c1-15
    (12-17-6-7-18(22(26)27)14
    -21(17)25)16-8-9-19-20(13
    -16)24(4,5)11-10-23(19,2)
    3/h6-9,12-14H,10-11H2,1-5
    H3,(H,26,27);
    CTUBWRWXDXMLOB-UHFFFAOYSA-N    		 CC(=Cc1ccc(cc1Br)C(O)=O)c2ccc3c(c2)C(C)(
    C)CCC3(C)C; CC(=Cc1ccc(cc1Br)C(=O)O)c2cc
    c3c(c2)C(CCC3(C)C)(C)C; O=C(O)c1ccc(c(Br
    )c1)\C=C(\c2ccc3c(c2)C(CCC3(C)C)(C)C)C;
    C\C(=C/c1ccc(cc1Br)C(O)=O)c2ccc3c(c2)C(C
    )(C)CCC3(C)C    		 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
    39855
    UV9
    ZINC000070654445    		 1 C9 H18 N2 O InChI=1S/C9H18N2O/c1-8(2)
    3-5-9(11,6-4-8)7(10)12/h3
    -6,11H2,1-2H3,(H2,10,12);
    SCEKEGZXSWOPCH-UHFFFAOYSA-N    		 CC1(CCC(CC1)(C(=O)N)N)C; CC1(C)CCC(N)(CC
    1)C(N)=O; O=C(N)C1(N)CCC(C)(C)CC1    		 1-amino-4,4-dimethylcyclohexane-1-carboxamide
    39856
    UVA
    ZINC000034246003    		 15 C8 H11 N O2 S InChI=1S/C8H11NO2S/c1-9-7
    -5-3-4-6-8(7)12(2,10)11/h
    3-6,9H,1-2H3;
    YLDKGNWSSXYUAH-UHFFFAOYSA-N    		 CNc1ccccc1[S](C)(=O)=O; CNc1ccccc1S(=O)(
    =O)C; c1cc(S(C)(=O)=O)c(NC)cc1    		 N-methyl-2-(methylsulfonyl)aniline
    39857
    UVB    		 1 C12 H15 N O4 S InChI=1S/C12H15NO4S/c14-9
    -10-3-5-12(6-4-10)18(16,1
    7)13-7-1-2-11(15)8-13/h3-
    6,9,11,15H,1-2,7-8H2/t11-
    /m0/s1;
    YDKGHQGIUFOPLS-NSHDSACASA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCCC(C2)O; c1cc(
    ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O; O[CH]
    1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2; O[C@H
    ]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2    		 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde
    39858
    UVC    		 8 C9 H12 N2 O9 V InChI=1S/C9H10N2O6.2H2O.O
    .V/c12-3-4-6(14)7(15)8(17
    -4)11-2-1-5(13)10-9(11)16
    ;;;;/h1-2,4,6-8,12H,3H2,(
    H,10,13,16);2*1H2;;/q-2;;
    ;;+4/p-2/t4-,6-,7-,8-;;;;
    /m1..../s1;
    JSPAHXDHRUTBDP-ODQFIEKDSA-L    		 C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(
    O3)(O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C
    @@H]([C@H](O2)CO)O[V](=O)(O3)(O)O; OC[CH
    ]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=C
    C(=O)NC3=O; OC[C@H]1O[C@H]([C@@H]2O[V](O
    )(O)(=O)O[C@H]12)N3C=CC(=O)NC3=O; O=[V]1
    (OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O    		 URIDINE-2',3'-VANADATE
    39859
    UVD
    CHEMBL1904189
    ZINC000000036068    		 1 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-18
    -14(17)16-13-4-2-11(3-5-1
    3)10-12-6-8-15-9-7-12/h2-
    9H,10H2,1H3,(H,16,17);
    ZWUBZIQOXMHHOZ-UHFFFAOYSA-N    		 n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2; COC(=O)Nc
    1ccc(Cc2ccncc2)cc1; COC(=O)Nc1ccc(cc1)Cc
    2ccncc2    		 methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
    39860
    UVE    		 1 C15 H13 N O4 S InChI=1S/C15H13NO4S/c17-1
    1-12-5-7-13(8-6-12)21(18,
    19)16-9-10-20-15-4-2-1-3-
    14(15)16/h1-8,11H,9-10H2;
    PPKCVZZBSKTFSM-UHFFFAOYSA-N    		 c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O
    ; O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23    		 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde
    39861
    UVF    		 1 C22 H24 N6 O2 InChI=1S/C22H24N6O2/c1-2-
    27-20-19(21(29)25-22(27)3
    0)28(13-15-8-4-3-5-9-15)1
    8(24-20)12-16-14-26-11-7-
    6-10-17(26)23-16/h3-5,8-9
    ,14H,2,6-7,10-13H2,1H3,(H
    ,25,29,30);
    XFMJUABYLXDYGS-UHFFFAOYSA-N    		 CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccccc
    5)C(=O)NC1=O; CCN1C(=O)NC(=O)c2n(Cc3cccc
    c3)c(Cc4cn5CCCCc5n4)nc12    		 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
    39862
    UVG
    ZINC000036165919    		 2 C6 H9 N3 O InChI=1S/C6H9N3O/c1-9(2)6
    (10)5-3-7-8-4-5/h3-4H,1-2
    H3,(H,7,8);
    XHOFWFVNVHZGMB-UHFFFAOYSA-N    		 CN(C)C(=O)c1c[nH]nc1; n1ncc(c1)C(N(C)C)=
    O    		 N,N-dimethyl-1H-pyrazole-4-carboxamide
    39863
    UVH    		 1 C14 H20 N2 O3 S InChI=1S/C14H20N2O3S/c1-1
    2(2)15-7-9-16(10-8-15)20(
    18,19)14-5-3-13(11-17)4-6
    -14/h3-6,11-12H,7-10H2,1-
    2H3;
    KXGWDCYDOVLUHC-UHFFFAOYSA-N    		 CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; C
    C(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2    		 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
    39864
    UVJ
    ZINC000000560684    		 2 C11 H13 N3 O InChI=1S/C11H13N3O/c1-8-1
    3-9-4-2-3-5-10(9)14(8)7-6
    -11(12)15/h2-5H,6-7H2,1H3
    ,(H2,12,15);
    HZTUIHZIQKFSIL-UHFFFAOYSA-N    		 Cc1nc2ccccc2n1CCC(N)=O; Cc1nc2ccccc2n1CC
    C(=O)N; n2(c1ccccc1nc2C)CCC(N)=O    		 3-(2-methyl-1H-benzimidazol-1-yl)propanamide
    39865
    UVK    		 1 C15 H12 F N O4 S InChI=1S/C15H12FNO4S/c16-
    12-3-6-15-14(9-12)17(7-8-
    21-15)22(19,20)13-4-1-11(
    10-18)2-5-13/h1-6,9-10H,7
    -8H2;
    NKYSMAFCOBNWNB-UHFFFAOYSA-N    		 Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc
    3; c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3
    )F    		 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
    39866
    UVM
    ZINC000000393697    		 1 C7 H13 N O3 InChI=1S/C7H13NO3/c1-2-11
    -7(9)8-3-5-10-6-4-8/h2-6H
    2,1H3;
    RTBBWCJKGBZVGL-UHFFFAOYSA-N    		 CCOC(=O)N1CCOCC1; C1OCCN(C(OCC)=O)C1 ethyl morpholine-4-carboxylate
    39867
    UVN    		 1 C11 H12 N2 O4 S InChI=1S/C11H12N2O4S/c14-
    8-9-1-3-10(4-2-9)18(16,17
    )13-6-5-12-11(15)7-13/h1-
    4,8H,5-7H2,(H,12,15);
    AGWGMFBDKFNHRP-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2; O=Cc
    1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2    		 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
    39868
    UVO
    ZINC000038821552    		 1 C7 H7 N O3 InChI=1S/C7H7NO3/c1-11-5-
    2-3-6(8-10)7(9)4-5/h2-4,9
    H,1H3;
    RNBFLAJNUZQUIK-UHFFFAOYSA-N    		 COc1ccc(N=O)c(O)c1; COc1ccc(c(c1)O)N=O;
    O=Nc1ccc(cc1O)OC    		 5-methoxy-2-nitrosophenol
    39869
    UVP    		 0 C11 H16 N2 O8 P InChI=1S/C11H15N2O8P/c1-2
    0-9-8(15)6(3-5-22(17,18)1
    9)21-10(9)13-4-2-7(14)12-
    11(13)16/h2-6,8-10,15H,1H
    3,(H3,12,14,16,17,18,19)/
    p+1/b5-3+/t6-,8-,9-,10-/m
    1/s1;
    XBCZHNUNHZIGAE-JKXAUABFSA-O    		 CO[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]2ccc(O
    )nc2O)\C=C\[P](O)(O)=O; CO[C@@H]1[C@@H](
    [C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(
    O)O)O; O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2
    c(O)nc(O)cc2)O; CO[CH]1[CH](O)[CH](O[CH]
    1[n+]2ccc(O)nc2O)C=C[P](O)(O)=O; COC1C(C
    (OC1[n+]2ccc(nc2O)O)C=CP(=O)(O)O)O    		 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium;
    uridine vinyl phosphonate
    39870
    UVQ    		 1 C16 H14 F N O3 S InChI=1S/C16H14FNO3S/c17-
    14-5-8-16-13(10-14)2-1-9-
    18(16)22(20,21)15-6-3-12(
    11-19)4-7-15/h3-8,10-11H,
    1-2,9H2;
    HFGLWYIDQNXWJN-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F;
    Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)c
    c3    		 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
    39871
    UVS
    CHEMBL1430496
    ZINC000001076074    		 7 C4 H7 N3 O S InChI=1S/C4H7N3OS/c1-8-2-
    3-6-7-4(5)9-3/h2H2,1H3,(H
    2,5,7);
    ZLDOCTTXAVVDHG-UHFFFAOYSA-N    		 COCc1nnc(s1)N; n1nc(COC)sc1N; COCc1sc(N)
    nn1    		 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
    39872
    UVT    		 1 C12 H15 N O3 S InChI=1S/C12H15NO3S/c1-10
    -3-2-8-13(10)17(15,16)12-
    6-4-11(9-14)5-7-12/h4-7,9
    -10H,2-3,8H2,1H3/t10-/m0/
    s1;
    SUVLDBQTTBXTBR-JTQLQIEISA-N    		 C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O; C[CH
    ]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2; CC1CCCN
    1S(=O)(=O)c2ccc(cc2)C=O; C[C@H]1CCCN1[S]
    (=O)(=O)c2ccc(C=O)cc2    		 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
    39873
    UVU    		 1 C25 H24 N8 O2 S InChI=1S/C25H24N8O2S/c1-4
    -32-22-21(23(34)28-24(32)
    35)33(13-16-5-7-17(8-6-16
    )19-9-10-30(3)29-19)20(27
    -22)11-18-14-31-12-15(2)3
    6-25(31)26-18/h5-10,12,14
    H,4,11,13H2,1-3H3,(H,28,3
    4,35);
    RLVQMIFZROVBAO-UHFFFAOYSA-N    		 CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)Cc5ccc(c
    c5)c6ccn(n6)C)C(=O)NC1=O; CCN1C(=O)NC(=O
    )c2n(Cc3ccc(cc3)c4ccn(C)n4)c(Cc5cn6cc(C)
    sc6n5)nc12    		 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione
    39874
    UVV
    ZINC000082164531    		 1 C7 H10 N2 O InChI=1S/C7H10N2O/c1-5-3-
    4-6(8)7(10)9(5)2/h3-4H,8H
    2,1-2H3;
    VFLVYBUNQQTDOV-UHFFFAOYSA-N    		 N1(C(C)=CC=C(C1=O)N)C; CC1=CC=C(C(=O)N1C
    )N; CN1C(=CC=C(N)C1=O)C    		 3-amino-1,6-dimethylpyridin-2(1H)-one
    39875
    UVW
    DB02897
    ZINC000003869379    		 36 C2 H5 O5 P InChI=1S/C2H5O5P/c1-2(3)7
    -8(4,5)6/h1H3,(H2,4,5,6);
    LIPOUNRJVLNBCD-UHFFFAOYSA-N    		 CC(=O)O[P](O)(O)=O; CC(=O)OP(=O)(O)O; O=
    C(OP(=O)(O)O)C    		 ACETYLPHOSPHATE
    39876
    UVX
    ZINC000064437274    		 0 C12 H15 N2 O8 P InChI=1S/C12H15N2O8P/c1-6
    -4-12(5-21-23(18,19)20)9(
    16)8(6)10(22-12)14-3-2-7(
    15)13-11(14)17/h2-3,8-10,
    16H,1,4-5H2,(H,13,15,17)(
    H2,18,19,20)/t8-,9+,10-,1
    2-/m1/s1;
    OJPKMNNCEVWWCI-DTHBNOIPSA-N    		 C=C1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)O)COP(=
    O)(O)O; O[CH]1[CH]2[CH](O[C]1(CO[P](O)(O
    )=O)CC2=C)N3C=CC(=O)NC3=O; C=C1C[C@]2([C
    @H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)C
    OP(=O)(O)O; O[C@H]1[C@@H]2[C@@H](O[C@@]1
    (CO[P](O)(O)=O)CC2=C)N3C=CC(=O)NC3=O; O=
    P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(=C)
    \C2)C3O    		 [(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    39877
    UVY
    ZINC000053751892    		 1 C7 H12 N2 O InChI=1S/C7H12N2O/c1-2-9-
    6-7(3-4-10)5-8-9/h5-6,10H
    ,2-4H2,1H3;
    GQXSHPZGPIOSHQ-UHFFFAOYSA-N    		 CCn1cc(CCO)cn1; CCn1cc(cn1)CCO; n1cc(CCO
    )cn1CC    		 2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
    39878
    UVZ    		 1 C16 H14 Cl N O3 S InChI=1S/C16H14ClNO3S/c17
    -14-5-8-16-13(10-14)2-1-9
    -18(16)22(20,21)15-6-3-12
    (11-19)4-7-15/h3-8,10-11H
    ,1-2,9H2;
    DUQPZLJNAYHRKH-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl
    ; Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O
    )cc3    		 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
    39879
    UW0    		 8 C19 H24 N O5 P InChI=1S/C19H24NO5P/c21-1
    9(20(22)15-7-10-16-8-3-1-
    4-9-16)14-13-18(26(23,24)
    25)17-11-5-2-6-12-17/h1-6
    ,8-9,11-12,18,22H,7,10,13
    -15H2,(H2,23,24,25)/t18-/
    m0/s1;
    RTIJODKNBIFSGN-SFHVURJKSA-N    		 ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](
    O)(O)=O; c1ccc(cc1)CCCN(C(=O)CC[C@@H](c2
    ccccc2)P(=O)(O)O)O; ON(CCCc1ccccc1)C(=O)
    CC[C@@H](c2ccccc2)[P](O)(O)=O; c1ccc(cc1
    )CCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O    		 [(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid
    39880
    UW1
    CHEMBL3109011    		 1 C19 H23 N5 O2 InChI=1S/C19H23N5O2/c1-5-
    26-13-7-6-11-8-12(10-22-1
    4(11)9-13)16-15(18(21)25)
    17(20)24(23-16)19(2,3)4/h
    6-10H,5,20H2,1-4H3,(H2,21
    ,25);
    XZLFLNWUBLMFQW-UHFFFAOYSA-N    		 CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N
    )C(=O)N; CCOc1ccc2cc(cnc2c1)c3nn(c(N)c3C
    (N)=O)C(C)(C)C; O=C(c3c(N)n(nc3c1cnc2c(c
    1)ccc(OCC)c2)C(C)(C)C)N    		 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide
    39881
    UW2
    CHEMBL4536241
    ZINC000098209515    		 1 C21 H22 N6 O2 InChI=1S/C21H22N6O2/c1-21
    (2,28)10-27-20-17(19(22)2
    3-11-24-20)18(26-27)13-3-
    7-15-12(9-13)4-8-16(25-15
    )29-14-5-6-14/h3-4,7-9,11
    ,14,28H,5-6,10H2,1-2H3,(H
    2,22,23,24);
    NJEBVFDXJAFAGB-UHFFFAOYSA-N    		 CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5C
    C5)c(ncn2)N)O; n1c(c2c(nc1)n(nc2c5cc4ccc
    (OC3CC3)nc4cc5)CC(O)(C)C)N; CC(C)(O)Cn1n
    c(c2ccc3nc(OC4CC4)ccc3c2)c5c(N)ncnc15    		 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
    39882
    UW3
    ZINC000212415323    		 1 C23 H27 N5 O2 InChI=1S/C23H27N5O2/c24-2
    2-20(23(25)29)21(27-28(22
    )16-5-2-1-3-6-16)15-11-14
    -9-10-18(12-19(14)26-13-1
    5)30-17-7-4-8-17/h9-13,16
    -17H,1-8,24H2,(H2,25,29);
    AJQKERUGIYLYDN-UHFFFAOYSA-N    		 NC(=O)c1c(N)n(nc1c2cnc3cc(OC4CCC4)ccc3c2
    )C5CCCCC5; c1cc(cc2c1cc(cn2)c3c(c(n(n3)C
    4CCCCC4)N)C(=O)N)OC5CCC5; O=C(c1c(N)n(nc
    1c3cc4ccc(OC2CCC2)cc4nc3)C5CCCCC5)N    		 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide
    39883
    UW4
    CHEMBL3769990
    ZINC000221703526    		 1 C21 H25 N5 O2 InChI=1S/C21H25N5O2/c1-21
    (2,3)26-19(22)17(20(23)27
    )18(25-26)13-7-9-15-12(11
    -13)8-10-16(24-15)28-14-5
    -4-6-14/h7-11,14H,4-6,22H
    2,1-3H3,(H2,23,27);
    BTTULLMSRICKGC-UHFFFAOYSA-N    		 O=C(c1c(n(C(C)(C)C)nc1c3ccc2nc(ccc2c3)OC
    4CCC4)N)N; CC(C)(C)n1nc(c2ccc3nc(OC4CCC4
    )ccc3c2)c(C(N)=O)c1N; CC(C)(C)n1c(c(c(n1
    )c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N    		 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide
    39884
    UW5
    CHEMBL4571877    		 1 C22 H23 N5 O2 InChI=1S/C22H23N5O2/c1-22
    (2,28)11-27-21-18(20(23)2
    4-12-25-21)19(26-27)15-4-
    3-14-10-17(29-16-7-8-16)6
    -5-13(14)9-15/h3-6,9-10,1
    2,16,28H,7-8,11H2,1-2H3,(
    H2,23,24,25);
    NYCAEKAKFOSFFT-UHFFFAOYSA-N    		 CC(C)(O)Cn1nc(c2ccc3cc(OC4CC4)ccc3c2)c5c
    (N)ncnc15; CC(C)(Cn1c2c(c(n1)c3ccc4cc(cc
    c4c3)OC5CC5)c(ncn2)N)O; OC(Cn2c1ncnc(c1c
    (n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C    		 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol;
    UW1553
    39885
    UW6
    ZINC000017108644    		 1 C5 H6 N2 O InChI=1S/C5H6N2O/c1-4-2-5
    (8)7-6-3-4/h2-3H,1H3,(H,7
    ,8);
    MMDFKVYPOQFQHP-UHFFFAOYSA-N    		 CC1=CC(=O)NN=C1; O=C1C=C(C)C=NN1 5-methylpyridazin-3(2H)-one
    39886
    UW7
    ZINC000082396043    		 1 C8 H11 N3 O2 InChI=1S/C8H11N3O2/c1-11-
    7-4-5(8(12)13)2-3-6(7)9-1
    0-11/h5H,2-4H2,1H3,(H,12,
    13)/t5-/m0/s1;
    KSSGMJJRJZLREA-YFKPBYRVSA-N    		 Cn1nnc2CC[CH](Cc12)C(O)=O; n2n(c1CC(C(O)
    =O)CCc1n2)C; Cn1nnc2CC[C@@H](Cc12)C(O)=O
    ; Cn1c2c(nn1)CCC(C2)C(=O)O; Cn1c2c(nn1)C
    C[C@@H](C2)C(=O)O    		 (6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid
    39887
    UW8    		 6 C18 H18 O21 Ti InChI=1S/3C6H7O7.Ti/c3*7-
    3(8)1-6(13,5(11)12)2-4(9)
    10;/h3*1-2H2,(H,7,8)(H,9,
    10)(H,11,12);/q3*-1;+6/p-
    3;
    MTEIPJBPJJNUGP-UHFFFAOYSA-K    		 C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)
    (CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(
    =O)O)CC(=O)O; OC(=O)CC1(CC(O)=O)O[Ti]23(
    OC1=O)(OC(=O)C(CC(O)=O)(CC(O)=O)O2)OC(=O
    )C(CC(O)=O)(CC(O)=O)O3    		 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid
    39888
    UW9
    CHEMBL2078801
    ZINC000084689110    		 1 C24 H30 N6 O InChI=1S/C24H30N6O/c1-6-3
    1-19-10-9-16-11-18(8-7-17
    (16)12-19)22-21-23(25)26-
    14-27-24(21)30(28-22)13-2
    0(15(2)3)29(4)5/h7-12,14-
    15,20H,6,13H2,1-5H3,(H2,2
    5,26,27)/t20-/m1/s1;
    UPGKXNICLSVZDA-HXUWFJFHSA-N    		 CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC(C(
    C)C)N(C)C)N; CCOc1ccc2cc(ccc2c1)c3nn(C[C
    @H](C(C)C)N(C)C)c4ncnc(N)c34; CCOc1ccc2c
    c(ccc2c1)c3nn(C[CH](C(C)C)N(C)C)c4ncnc(N
    )c34; n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3c
    c4)CC(N(C)C)C(C)C)N; CCOc1ccc2cc(ccc2c1)
    c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N    		 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    39889
    UWA
    ZINC000212415121    		 1 C21 H23 N5 O InChI=1S/C21H23N5O/c1-4-2
    7-17-8-7-14-5-6-15(9-16(1
    4)10-17)19-18-20(22)23-12
    -24-21(18)26(25-19)11-13(
    2)3/h5-10,12-13H,4,11H2,1
    -3H3,(H2,22,23,24);
    AEVLTZJWDLNUCI-UHFFFAOYSA-N    		 CCOc1ccc2ccc(cc2c1)c3nn(CC(C)C)c4ncnc(N)
    c34; n1c(c2c(nc1)n(nc2c4cc3cc(OCC)ccc3cc
    4)CC(C)C)N; CCOc1ccc2ccc(cc2c1)c3c4c(ncn
    c4n(n3)CC(C)C)N    		 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    39890
    UWB
    ZINC000212415225    		 1 C23 H26 N6 O InChI=1S/C23H26N6O/c1-2-3
    0-19-6-5-16-3-4-17(11-18(
    16)12-19)21-20-22(24)26-1
    4-27-23(20)29(28-21)13-15
    -7-9-25-10-8-15/h3-6,11-1
    2,14-15,25H,2,7-10,13H2,1
    H3,(H2,24,26,27);
    KMHCRQINFJTBPW-UHFFFAOYSA-N    		 CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CC
    NCC5)N; CCOc1ccc2ccc(cc2c1)c3nn(CC4CCNCC
    4)c5ncnc(N)c35; n1c(c2c(nc1)n(nc2c4cc3cc
    (OCC)ccc3cc4)CC5CCNCC5)N    		 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    39891
    UWC    		 1 C27 H32 N8 O5 InChI=1S/C27H32N8O5/c1-3-
    34-23-22(25(37)32-27(34)3
    9)35(21(31-23)12-18-15-33
    -10-5-4-9-20(33)30-18)14-
    16-7-6-8-17(11-16)24(36)2
    9-13-19(28)26(38)40-2/h6-
    8,11,15,19H,3-5,9-10,12-1
    4,28H2,1-2H3,(H,29,36)(H,
    32,37,39)/t19-/m0/s1;
    OQKHEXPFNSCIHH-IBGZPJMESA-N    		 CCN1C(=O)NC(=O)c2n(Cc3cccc(c3)C(=O)NC[C@
    H](N)C(=O)OC)c(Cc4cn5CCCCc5n4)nc12; CCN1
    c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5cccc(c5)C
    (=O)NCC(C(=O)OC)N)C(=O)NC1=O; CCN1C(=O)N
    C(=O)c2n(Cc3cccc(c3)C(=O)NC[CH](N)C(=O)O
    C)c(Cc4cn5CCCCc5n4)nc12; CCN1c2c(n(c(n2)
    Cc3cn4c(n3)CCCC4)Cc5cccc(c5)C(=O)NC[C@@H
    ](C(=O)OC)N)C(=O)NC1=O    		 methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate
    39892
    UWD
    ZINC000019507445    		 4 C8 H10 N4 InChI=1S/C8H10N4/c1-9-6-8
    -11-10-7-4-2-3-5-12(7)8/h
    2-5,9H,6H2,1H3;
    UQXCTICEXNDHAR-UHFFFAOYSA-N    		 CNCc1nnc2ccccn12; CNCc1nnc2n1cccc2; n2c(
    n1ccccc1n2)CNC    		 N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
    39893
    UWE    		 2 C Ni O InChI=1S/CO.Ni/c1-2;/q+1;;
    IBXNIJKRMDYAOR-UHFFFAOYSA-N    		 [Ni]C#[O+]; C(#[O+])[Ni] $l^{3}-oxidanylidynemethylnickel
    39894
    UWG
    ZINC000054724265    		 1 C10 H16 N2 O InChI=1S/C10H16N2O/c1-8(1
    3)9-6-11-12(7-9)10-4-2-3-
    5-10/h6-8,10,13H,2-5H2,1H
    3/t8-/m0/s1;
    TUZCKTQECDPISK-QMMMGPOBSA-N    		 C[C@H](O)c1cnn(c1)C2CCCC2; CC(c1cnn(c1)C
    2CCCC2)O; C[C@@H](c1cnn(c1)C2CCCC2)O; C[
    CH](O)c1cnn(c1)C2CCCC2; n1(cc(C(C)O)cn1)
    C2CCCC2    		 (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol
    39895
    UWH    		 1 C14 H20 N2 O4 S InChI=1S/C14H20N2O4S/c1-2
    0-11-10-15-6-8-16(9-7-15)
    21(18,19)14-4-2-13(12-17)
    3-5-14/h2-5,12H,6-11H2,1H
    3;
    BLJXFQSWMIPUOV-UHFFFAOYSA-N    		 COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; CO
    CCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2    		 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
    39896
    UWI
    ZINC000012471322    		 1 C6 H11 N O2 InChI=1S/C6H11NO2/c7-6(8)
    5-1-3-9-4-2-5/h5H,1-4H2,(
    H2,7,8);
    DGOYLVBDCVINQZ-UHFFFAOYSA-N    		 NC(=O)C1CCOCC1; C1COCCC1C(=O)N oxane-4-carboxamide
    39897
    UWJ    		 0 C11 H17 N2 O8 P Se InChI=1S/C11H17N2O8PSe/c1
    -5-3-13(11(16)12-9(5)15)1
    0-8(23-2)7(14)6(21-10)4-2
    0-22(17,18)19/h3,6-8,10,1
    4H,4H2,1-2H3,(H,12,15,16)
    (H2,17,18,19)/t6-,7-,8+,1
    0-/m1/s1;
    KLYIIOBIPBBIGV-BDNRQGISSA-N    		 C1(NC(C(=CN1C2OC(COP(=O)(O)O)C(O)C2[Se]C
    )C)=O)=O; CC1=CN(C(=O)NC1=O)C2C(C(C(O2)C
    OP(=O)(O)O)O)[Se]C; C[Se][CH]1[CH](O)[CH
    ](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O
    ; C[Se][C@H]1[C@H](O)[C@@H](CO[P](O)(O)=
    O)O[C@H]1N2C=C(C)C(=O)NC2=O; CC1=CN(C(=O
    )NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=
    O)(O)O)O)[Se]C    		 5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
    39898
    UWK    		 1 C13 H17 N O4 S InChI=1S/C13H17NO4S/c1-18
    -12-3-2-8-14(9-12)19(16,1
    7)13-6-4-11(10-15)5-7-13/
    h4-7,10,12H,2-3,8-9H2,1H3
    /t12-/m1/s1;
    LBMUPTIJLJCKCH-GFCCVEGCSA-N    		 CO[C@@H]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc
    2; CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C
    =O; CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)
    cc2; COC1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O    		 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
    39899
    UWL    		 1 C26 H28 Cl F N4 O2 InChI=1S/C26H28ClFN4O2/c1
    -3-20-22(10-7-16(2)29-20)
    34-15-24(33)32-13-11-21-2
    6(31-12-5-4-6-23(31)30-21
    )25(32)18-9-8-17(27)14-19
    (18)28/h7-10,14,25H,3-6,1
    1-13,15H2,1-2H3/t25-/m0/s
    1;
    DWIGWIZFMAXRAR-VWLOTQADSA-N    		 CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[C@
    @H]2c5ccc(Cl)cc5F; CCc1c(ccc(n1)C)OCC(=O
    )N2CCc3c(n4c(n3)CCCC4)C2c5ccc(cc5F)Cl; C
    Cc1c(ccc(n1)C)OCC(=O)N2CCc3c(n4c(n3)CCCC
    4)[C@@H]2c5ccc(cc5F)Cl; CCc1nc(C)ccc1OCC
    (=O)N2CCc3nc4CCCCn4c3[CH]2c5ccc(Cl)cc5F    		 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone
    39900
    UWM
    CHEMBL4459585
    DB18709    		 1 C20 H17 N9 InChI=1S/C20H17N9/c1-27-1
    1-15(9-24-27)17-13-28-18(
    2-5-23-28)19(26-17)16-10-
    25-29(12-16)20(3-4-21)6-1
    4(7-20)8-22/h2,5,9-14H,3,
    6-7H2,1H3/t14-,20-;
    XPLZTJWZDBFWDE-OYOVHJISSA-N    		 Cn1cc(cn1)c2cn3nccc3c(n2)c4cnn(c4)[C]5(C
    C#N)C[CH](C5)C#N; Cn1cc(cn1)c2cn3nccc3c(
    n2)c4cnn(c4)[C@@]5(CC#N)C[C@@H](C5)C#N;
    Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(C
    C(C5)C#N)CC#N; n1c(cn4c(c1c2cnn(c2)C3(CC
    #N)CC(C#N)C3)ccn4)c5cn(nc5)C    		 trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile
    39901
    UWN
    CHEMBL2426364
    ZINC000083253967    		 5 C32 H43 N5 O2 InChI=1S/C32H43N5O2/c38-3
    1(36-20-12-27(13-21-36)34
    -16-4-5-17-34)25-10-11-29
    (30(24-25)33-26-8-2-1-3-9
    -26)32(39)37-22-14-28(15-
    23-37)35-18-6-7-19-35/h1-
    3,8-11,24,27-28,33H,4-7,1
    2-23H2;
    PQOOIERVZAXHBP-UHFFFAOYSA-N    		 O=C(N1CCC(CC1)N2CCCC2)c3ccc(C(=O)N4CC[CH
    ](CC4)N5CCCC5)c(Nc6ccccc6)c3; O=C(N1CCC(
    CC1)N2CCCC2)c3ccc(C(=O)N4CC[C@H](CC4)N5C
    CCC5)c(Nc6ccccc6)c3; O=C(N2CCC(N1CCCC1)C
    C2)c4ccc(c(Nc3ccccc3)c4)C(=O)N6CCC(N5CCC
    C5)CC6; c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(C
    C3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6    		 [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
    39902
    UWO    		 1 C24 H21 F3 N2 O4 InChI=1S/C24H21F3N2O4/c1-
    13(30)29-19-11-8-15(23(32
    )33-2)12-18(19)28-17-4-3-
    5-20(31)21(17)22(29)14-6-
    9-16(10-7-14)24(25,26)27/
    h6-12,22,28H,3-5H2,1-2H3/
    t22-/m1/s1;
    JYNGJASZTLERPY-JOCHJYFZSA-N    		 CC(=O)N1c2ccc(cc2NC3=C([C@H]1c4ccc(cc4)C
    (F)(F)F)C(=O)CCC3)C(=O)OC; CC(=O)N1c2ccc
    (cc2NC3=C(C1c4ccc(cc4)C(F)(F)F)C(=O)CCC3
    )C(=O)OC; COC(=O)c1ccc2N([CH](c3ccc(cc3)
    C(F)(F)F)C4=C(CCCC4=O)Nc2c1)C(C)=O; COC(
    =O)c1ccc2N([C@H](c3ccc(cc3)C(F)(F)F)C4=C
    (CCCC4=O)Nc2c1)C(C)=O    		 methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
    39903
    UWP
    CHEMBL4778704    		 4 C20 H18 F3 N9 InChI=1S/C20H18F3N9/c1-29
    -8-14(6-26-29)16-10-31-17
    (2-5-25-31)18(28-16)15-7-
    27-32(9-15)19(3-4-24)11-3
    0(12-19)13-20(21,22)23/h2
    ,5-10H,3,11-13H2,1H3;
    CVWIGSVNTPFWIS-UHFFFAOYSA-N    		 Cn1cc(cn1)c2cn3nccc3c(n2)c4cnn(c4)C5(CC#
    N)CN(CC(F)(F)F)C5; n15c(c(nc(c1)c2cnn(C)
    c2)c3cn(nc3)C4(CN(C4)CC(F)(F)F)CC#N)ccn5
    ; Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5
    (CN(C5)CC(F)(F)F)CC#N    		 [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
    39904
    UWQ    		 1 C13 H17 N O4 S InChI=1S/C13H17NO4S/c1-18
    -12-6-8-14(9-7-12)19(16,1
    7)13-4-2-11(10-15)3-5-13/
    h2-5,10,12H,6-9H2,1H3;
    UXSLYFUIGKMHEK-UHFFFAOYSA-N    		 COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2; CO
    C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O    		 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
    39905
    UWR
    ZINC000020173836    		 2 C8 H7 Cl N2 InChI=1S/C8H7ClN2/c9-7-3-
    1-2-6(4-7)8(11)5-10/h1-4,
    8H,11H2/t8-/m0/s1;
    MHUPYXJSGAMNFY-QMMMGPOBSA-N    		 c1cc(cc(c1)Cl)[C@H](C#N)N; NC(C#N)c1cc(C
    l)ccc1; c1cc(cc(c1)Cl)C(C#N)N; N[CH](C#N
    )c1cccc(Cl)c1; N[C@@H](C#N)c1cccc(Cl)c1    		 (2R)-amino(3-chlorophenyl)acetonitrile
    39906
    UWS
    ZINC000067747599    		 7 C10 H11 N3 O2 InChI=1S/C10H11N3O2/c1-7-
    3-4-10(14)13(11-7)6-9-5-8
    (2)12-15-9/h3-5H,6H2,1-2H
    3;
    PLCLGFAKZPXQFY-UHFFFAOYSA-N    		 Cc1cc(on1)CN2C(=O)C=CC(=N2)C; CC1=NN(Cc2
    onc(C)c2)C(=O)C=C1; N=2N(Cc1cc(C)no1)C(C
    =CC=2C)=O    		 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one
    39907
    UWT
    ZINC000080360618    		 1 C9 H20 O4 InChI=1S/C9H20O4/c1-7(11)
    5-12-9(3)6-13-8(2)4-10/h7
    -11H,4-6H2,1-3H3/t7-,8+,9
    -/m0/s1;
    LCZVSXRMYJUNFX-YIZRAAEISA-N    		 C[CH](O)CO[CH](C)CO[CH](C)CO; CC(CO)OCC(
    C)OCC(C)O; C[C@H](O)CO[C@@H](C)CO[C@H](C
    )CO; C[C@H](CO)OC[C@H](C)OC[C@H](C)O    		 (2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol;
    (2~{R})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol
    39908
    UWU
    ZINC000000146729    		 2 C15 H9 Cl O3 InChI=1S/C15H9ClO3/c16-12
    -6-11-10(9-4-2-1-3-5-9)7-
    15(18)19-14(11)8-13(12)17
    /h1-8,17H;
    TUQNFQUMZKUALD-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl; Oc
    1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl; Clc2c(O)
    cc1OC(=O)C=C(c1c2)c3ccccc3    		 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
    39909
    UWV
    ZINC000020350772    		 3 C10 H10 F N3 InChI=1S/C10H10FN3/c11-9-
    3-1-2-4-10(9)12-7-8-5-6-1
    3-14-8/h1-6,12H,7H2,(H,13
    ,14);
    IREDHAFKGFKXRR-UHFFFAOYSA-N    		 n2nc(CNc1ccccc1F)cc2; c1ccc(c(c1)NCc2cc[
    nH]n2)F; Fc1ccccc1NCc2cc[nH]n2    		 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
    39910
    UWX
    CHEMBL1360726
    ZINC000008604825    		 2 C24 H30 N4 O5 S InChI=1S/C24H30N4O5S/c1-1
    6(2)13-17-5-7-18(8-6-17)3
    4(31,32)25-19-14-21-22(27
    (4)24(30)23(29)26(21)3)15
    -20(19)28-9-11-33-12-10-2
    8/h5-8,14-16,25H,9-13H2,1
    -4H3;
    ITKWKFDZJCBVEW-UHFFFAOYSA-N    		 CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CC
    OCC4)N(C(=O)C(=O)N3C)C; CC(C)Cc1ccc(cc1)
    [S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2
    N4CCOCC4    		 ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
    39911
    UWY
    ZINC000058393643    		 2 C11 H17 N3 O InChI=1S/C11H17N3O/c1-2-1
    4-8-10(7-12-14)13-11(15)9
    -5-3-4-6-9/h7-9H,2-6H2,1H
    3,(H,13,15);
    GXDSBWMCMQHCOL-UHFFFAOYSA-N    		 CCn1cc(cn1)NC(=O)C2CCCC2; N(c1cnn(c1)CC)
    C(=O)C2CCCC2; CCn1cc(NC(=O)C2CCCC2)cn1    		 N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
    39912
    UWZ
    CHEMBL4779479    		 1 C20 H23 F2 N5 O4 InChI=1S/C20H23F2N5O4/c1-
    23-16(28)12-27(11-13-6-2-
    3-7-15(13)31-20(21)22)18(
    29)14-10-24-17(25-14)19(3
    0)26-8-4-5-9-26/h2-3,6-7,
    10,20H,4-5,8-9,11-12H2,1H
    3,(H,23,28)(H,24,25);
    UHBFOFSFPSKTRS-UHFFFAOYSA-N    		 CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(
    n2)C(=O)N3CCCC3    		 ~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide
    39913
    UX0
    ZINC000584905715    		 1 C15 H19 N3 O4 InChI=1S/C15H19N3O4/c1-22
    -11-4-2-3-9-12(11)15(17-7
    -16-9)18-10-5-8(6-19)13(2
    0)14(10)21/h2-4,7-8,10,13
    -14,19-21H,5-6H2,1H3,(H,1
    6,17,18)/t8-,10-,13-,14+/
    m1/s1;
    VWYRWNYOVVVFRV-NKBRHBOISA-N    		 COc1cccc2c1c(ncn2)NC3CC(C(C3O)O)CO; COc1
    cccc2ncnc(N[CH]3C[CH](CO)[CH](O)[CH]3O)c
    12; COc1cccc2ncnc(N[C@@H]3C[C@H](CO)[C@@
    H](O)[C@H]3O)c12; COc1cccc2c1c(ncn2)N[C@
    @H]3C[C@@H]([C@H]([C@H]3O)O)CO    		 (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL
    39914
    UX1
    ZINC000335883577    		 3 C12 H14 F N O InChI=1S/C12H14FNO/c1-14-
    11(15)12(6-7-12)8-9-4-2-3
    -5-10(9)13/h2-5H,6-8H2,1H
    3,(H,14,15);
    KIJYNTMPXZUXEI-UHFFFAOYSA-N    		 CNC(=O)C1(CC1)Cc2ccccc2F; c1(c(cccc1)F)C
    C2(CC2)C(NC)=O    		 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
    39915
    UX2
    CHEMBL16687
    ZINC000003872013    		 4 C13 H8 Cl N5 O InChI=1S/C13H8ClN5O/c14-7
    -3-4-9-8(6-7)12-17-11(10-
    2-1-5-20-10)18-19(12)13(1
    5)16-9/h1-6H,(H2,15,16);
    MSJODEOZODDVGW-UHFFFAOYSA-N    		 Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4; c1cc(
    oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl    		 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
    39916
    UX3    		 1 C28 H28 N6 O2 InChI=1S/C28H28N6O2/c1-2-
    33-26-25(27(35)31-28(33)3
    6)34(17-19-11-13-21(14-12
    -19)20-8-4-3-5-9-20)24(30
    -26)16-22-18-32-15-7-6-10
    -23(32)29-22/h3-5,8-9,11-
    14,18H,2,6-7,10,15-17H2,1
    H3,(H,31,35,36);
    ADTIQGKCZQHSQW-UHFFFAOYSA-N    		 CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccc(c
    c5)c6ccccc6)C(=O)NC1=O; CCN1C(=O)NC(=O)c
    2n(Cc3ccc(cc3)c4ccccc4)c(Cc5cn6CCCCc6n5)
    nc12    		 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
    39917
    UX4
    ZINC000004111000    		 3 C21 H29 N5 O4 S InChI=1S/C21H29N5O4S/c1-4
    -30-21(29)25-11-9-24(10-1
    2-25)20(28)23-17-14(3)16-
    18(31-17)22-15-6-5-13(2)7
    -8-26(15)19(16)27/h13H,4-
    12H2,1-3H3,(H,23,28)/t13-
    /m1/s1;
    XBHQVTSPEFNYKC-CYBMUJFWSA-N    		 O=C(OCC)N1CCN(CC1)C(=O)Nc2sc3c(c2C)C(N4C
    (=N3)CCC(C)CC4)=O; CCOC(=O)N1CCN(CC1)C(=
    O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C;
    CCOC(=O)N1CCN(CC1)C(=O)Nc2sc3N=C4CC[C@@H
    ](C)CCN4C(=O)c3c2C; CCOC(=O)N1CCN(CC1)C(
    =O)Nc2c(c3c(s2)N=C4CCC(CCN4C3=O)C)C; CCO
    C(=O)N1CCN(CC1)C(=O)Nc2sc3N=C4CC[CH](C)C
    CN4C(=O)c3c2C    		 ethyl 4-[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate
    39918
    UX5    		 1 C15 H15 N5 O2 InChI=1S/C15H15N5O2/c1-9-
    12(8-17-13-6-14(21)19-20(
    9)13)15(22)18-7-10-2-4-11
    (16)5-3-10/h2-6,8H,7,16H2
    ,1H3,(H,18,22)(H,19,21);
    KOARMAYNUOYQCO-UHFFFAOYSA-N    		 CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(cc3)
    N; CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N
    )cc3    		 N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;
    ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
    39919
    UX7
    CHEMBL4459388
    ZINC000000419826    		 1 C12 H12 N2 O2 S InChI=1S/C12H12N2O2S/c1-1
    6-8-4-5-9-10(6-8)17-12(13
    -9)14-11(15)7-2-3-7/h4-7H
    ,2-3H2,1H3,(H,13,14,15);
    TYZQOTDNVBPGAW-UHFFFAOYSA-N    		 N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3; COc1cc
    c2nc(NC(=O)C3CC3)sc2c1; COc1ccc2c(c1)sc(
    n2)NC(=O)C3CC3    		 N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
    39920
    UX8    		 0 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c12-9
    (11(15)16)10(14)7-5-13-8-
    4-2-1-3-6(7)8/h1-5,9-10,1
    3-14H,12H2,(H,15,16)/t9-,
    10+/m0/s1;
    ITFHGBKXKUVKBW-VHSXEESVSA-N    		 c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)
    N)O; N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=
    O; c1ccc2c(c1)c(c[nH]2)C(C(C(=O)O)N)O; N
    [C@@H]([C@H](O)c1c[nH]c2ccccc12)C(O)=O    		 (2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
    39921
    UX9
    CHEMBL2030954
    ZINC000084652260    		 2 C42 H49 N5 O6 InChI=1S/C42H49N5O6/c1-41
    (2,3)37(44-40(52)53-4)38(
    50)45-46(26-29-14-16-30(1
    7-15-29)31-18-21-43-22-19
    -31)23-20-42(25-28-10-6-5
    -7-11-28)35(49)27-47(39(4
    2)51)36-33-13-9-8-12-32(3
    3)24-34(36)48/h5-19,21-22
    ,34-37,48-49H,20,23-27H2,
    1-4H3,(H,44,52)(H,45,50)/
    t34-,35-,36+,37-,42+/m1/s
    1;
    UUCOHTKAVQHJKS-IQEGRXIQSA-N    		 CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](C
    N(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc
    4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC; COC(=O)N
    [CH](C(=O)NN(CC[C]1(Cc2ccccc2)[CH](O)CN(
    [CH]3[CH](O)Cc4ccccc34)C1=O)Cc5ccc(cc5)c
    6ccncc6)C(C)(C)C; CC(C)(C)C(C(=O)NN(CCC1
    (C(CN(C1=O)C2c3ccccc3CC2O)O)Cc4ccccc4)Cc
    5ccc(cc5)c6ccncc6)NC(=O)OC; COC(=O)N[C@H
    ](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([
    C@@H]3[C@H](O)Cc4ccccc34)C1=O)Cc5ccc(cc5
    )c6ccncc6)C(C)(C)C; O=C(OC)NC(C(=O)NN(Cc
    2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc
    3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C    		 methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
    39922
    UXA
    ZINC000002737565    		 6 C11 H11 N O3 InChI=1S/C11H11NO3/c13-11
    (12-8-2-3-8)7-1-4-9-10(5-
    7)15-6-14-9/h1,4-5,8H,2-3
    ,6H2,(H,12,13);
    OUGQMSXIPFSZBI-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)NC3CC3)OCO2; c1(cc2c(cc1)
    OCO2)C(NC3CC3)=O; O=C(NC1CC1)c2ccc3OCOc3
    c2    		 ~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
    39923
    UXB
    ZINC000004089510    		 1 C9 H12 Cl N O InChI=1S/C9H12ClNO/c10-8-
    3-1-2-7(6-8)9(11)4-5-12/h
    1-3,6,9,12H,4-5,11H2/t9-/
    m0/s1;
    YQMOQQKIRFWPQL-VIFPVBQESA-N    		 N[C@@H](CCO)c1cccc(Cl)c1; NC(CCO)c1cc(Cl
    )ccc1; N[CH](CCO)c1cccc(Cl)c1; c1cc(cc(c
    1)Cl)[C@H](CCO)N; c1cc(cc(c1)Cl)C(CCO)N    		 (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
    39924
    UXC    		 1 C18 H20 N6 O3 S InChI=1S/C18H20N6O3S/c1-3
    -23-15-14(16(25)21-17(23)
    26)24(6-11-8-27-9-11)13(2
    0-15)4-12-7-22-5-10(2)28-
    18(22)19-12/h5,7,11H,3-4,
    6,8-9H2,1-2H3,(H,21,25,26
    );
    FJDRFUYWOVFIPP-UHFFFAOYSA-N    		 CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)CC5COC5)
    C(=O)NC1=O; CCN1C(=O)NC(=O)c2n(CC3COC3)c
    (Cc4cn5cc(C)sc5n4)nc12    		 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione
    39925
    UXD
    ZINC000036164724    		 3 C8 H11 N3 O InChI=1S/C8H11N3O/c12-8(7
    -5-9-10-6-7)11-3-1-2-4-11
    /h5-6H,1-4H2,(H,9,10);
    ZCTYYKNBCKBIMR-UHFFFAOYSA-N    		 O=C(N1CCCC1)c2c[nH]nc2; n1cc(cn1)C(N2CCC
    C2)=O; c1c(cn[nH]1)C(=O)N2CCCC2    		 (1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
    39926
    UXE
    CHEMBL5091512    		 1 C30 H41 N7 O InChI=1S/C30H41N7O/c1-29(
    2)10-14-36(15-11-29)21-26
    -9-8-25(20-31-26)33-22-30
    (38)12-16-37(17-13-30)28-
    18-27(34-23-35-28)32-19-2
    4-6-4-3-5-7-24/h3-9,18,20
    ,23,33,38H,10-17,19,21-22
    H2,1-2H3,(H,32,34,35);
    GTLDMCHZRAFXCB-UHFFFAOYSA-N    		 CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc
    (ncn4)NCc5ccccc5)O)C; CC1(C)CCN(CC1)Cc2c
    cc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)c
    n2    		 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol
    39927
    UXG
    CHEMBL3763552
    ZINC000000133425    		 9 C16 H17 N O InChI=1S/C16H17NO/c18-15-
    11-17(12-15)16(13-7-3-1-4
    -8-13)14-9-5-2-6-10-14/h1
    -10,15-16,18H,11-12H2;
    MMAJXKGUZYDTHV-UHFFFAOYSA-N    		 c1(ccccc1)C(c2ccccc2)N3CC(C3)O; c1ccc(cc
    1)C(c2ccccc2)N3CC(C3)O; OC1CN(C1)C(c2ccc
    cc2)c3ccccc3    		 1-(diphenylmethyl)azetidin-3-ol
    39928
    UXH
    CHEMBL1945406
    ZINC000082151302    		 4 C12 H10 Cl N5 O2 InChI=1S/C12H10ClN5O2/c1-
    18-10-5-3(12(18)20)2-4(11
    (16)19)17-9(5)7(14)6(13)8
    (10)15/h2H,14-15H2,1H3,(H
    2,16,19);
    HWRGTOQGZGTNID-UHFFFAOYSA-N    		 Clc3c(c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N)
    N; CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1
    =O; CN1C(=O)c2cc(nc3c(N)c(Cl)c(N)c1c23)C
    (N)=O    		 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
    39929
    UXJ
    ZINC000036901516    		 1 C11 H12 F N3 InChI=1S/C11H12FN3/c1-8-9
    (7-14-15-8)6-13-11-5-3-2-
    4-10(11)12/h2-5,7,13H,6H2
    ,1H3,(H,14,15);
    PPJRDGIYQROBCH-UHFFFAOYSA-N    		 Cc1n[nH]cc1CNc2ccccc2F; Cc1c(c[nH]n1)CNc
    2ccccc2F; n2cc(CNc1ccccc1F)c(n2)C    		 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
    39930
    UXK
    CHEMBL5077723    		 1 C32 H43 N7 O InChI=1S/C32H43N7O/c1-31(
    2)10-14-37(15-11-31)23-27
    -8-9-28(22-33-27)39-18-19
    -40-32(24-39)12-16-38(17-
    13-32)30-20-29(35-25-36-3
    0)34-21-26-6-4-3-5-7-26/h
    3-9,20,22,25H,10-19,21,23
    -24H2,1-2H3,(H,34,35,36);
    RJEWLHZZXYDBNT-UHFFFAOYSA-N    		 CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC
    4)c5cc(ncn5)NCc6ccccc6)C; CC1(C)CCN(CC1)
    Cc2ccc(cn2)N3CCOC4(CCN(CC4)c5cc(NCc6cccc
    c6)ncn5)C3    		 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
    39931
    UXL    		 1 C20 H26 N6 O2 InChI=1S/C20H26N6O2/c1-2-
    25-18-17(19(27)23-20(25)2
    8)26(11-13-6-5-7-13)16(22
    -18)10-14-12-24-9-4-3-8-1
    5(24)21-14/h12-13H,2-11H2
    ,1H3,(H,23,27,28);
    XTQKTGYWGJOGNR-UHFFFAOYSA-N    		 CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc
    5n4)nc12; CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC
    4)CC5CCC5)C(=O)NC1=O    		 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
    39932
    UXM    		 0 C22 H24 N6 O S InChI=1S/C22H24N6OS/c1-2-
    16-17(12-23)21(28-10-8-15
    (25)9-11-28)27-22(18(16)1
    3-24)30-19(20(26)29)14-6-
    4-3-5-7-14/h3-7,15,19H,2,
    8-11,25H2,1H3,(H2,26,29)/
    t19-/m1/s1;
    KNKHRZYILDZLRE-LJQANCHMSA-N    		 C(C(c1ccccc1)Sc3c(c(CC)c(c(N2CCC(CC2)N)n
    3)C#N)C#N)(N)=O; CCc1c(C#N)c(S[CH](C(N)=
    O)c2ccccc2)nc(N3CCC(N)CC3)c1C#N; CCc1c(C
    #N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N3CCC(N)
    CC3)c1C#N; CCc1c(c(nc(c1C#N)SC(c2ccccc2)
    C(=O)N)N3CCC(CC3)N)C#N; CCc1c(c(nc(c1C#N
    )S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N    		 (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide
    39933
    UXN    		 1 C13 H17 N O4 S InChI=1S/C13H17NO4S/c1-14
    (12-6-8-18-9-7-12)19(16,1
    7)13-4-2-11(10-15)3-5-13/
    h2-5,10,12H,6-9H2,1H3;
    AUXFBNNXAJNXJJ-UHFFFAOYSA-N    		 CN(C1CCOCC1)[S](=O)(=O)c2ccc(C=O)cc2; CN
    (C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O    		 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide;
    4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide
    39934
    UXP
    ZINC000169702556    		 8 C17 H22 N8 O InChI=1S/C17H22N8O/c26-9-
    11-3-1-2-6-25(11)17-20-15
    (12-8-18-24-16(12)21-17)1
    9-14-7-13(22-23-14)10-4-5
    -10/h7-8,10-11,26H,1-6,9H
    2,(H3,18,19,20,21,22,23,2
    4)/t11-/m1/s1;
    YKDFQYJWKSLGGG-LLVKDONJSA-N    		 c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCCC4CO
    )C5CC5; c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4
    CCCC[C@@H]4CO)C5CC5; OC[CH]1CCCCN1c2nc(N
    c3cc([nH]n3)C4CC4)c5c[nH]nc5n2; OC[C@H]1
    CCCCN1c2nc(Nc3cc([nH]n3)C4CC4)c5c[nH]nc5
    n2; C1CC1c2cc(nn2)Nc4nc(nc3c4cnn3)N5C(CO
    )CCCC5    		 [(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
    39935
    UXQ    		 0 C12 H15 Cl N2 O3 InChI=1S/C12H15ClN2O3/c13
    -6-11(16)15-7-9-3-1-8(2-4
    -9)5-10(14)12(17)18/h1-4,
    10H,5-7,14H2,(H,15,16)(H,
    17,18)/t10-/m0/s1;
    RWUOHIWHSADJQS-JTQLQIEISA-N    		 c1cc(ccc1CC(C(=O)O)N)CNC(=O)CCl; c1cc(cc
    c1C[C@@H](C(=O)O)N)CNC(=O)CCl; N[C@@H](C
    c1ccc(CNC(=O)CCl)cc1)C(O)=O; N[CH](Cc1cc
    c(CNC(=O)CCl)cc1)C(O)=O    		 (2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
    39936
    UXR
    ZINC000002008859    		 4 C3 H7 O5 P InChI=1S/C3H7O5P/c1-2(3(4
    )5)9(6,7)8/h2H,1H3,(H,4,5
    )(H2,6,7,8)/t2-/m0/s1;
    GUXRZQZCNOHHDO-REOHCLBHSA-N    		 C[CH](C(O)=O)[P](O)(O)=O; C[C@@H](C(O)=O
    )[P](O)(O)=O; CC(C(=O)O)P(=O)(O)O; C[C@@
    H](C(=O)O)P(=O)(O)O; O=C(O)C(C)P(=O)(O)O    		 (2S)-2-phosphonopropanoic acid
    39937
    UXS
    ZINC000001694668    		 0 C5 H13 N O S InChI=1S/C5H13NOS/c1-8-3-
    2-5(6)4-7/h5,7H,2-4,6H2,1
    H3/t5-/m0/s1;
    MIQJGZAEWQQAPN-YFKPBYRVSA-N    		 CSCC[CH](N)CO; C(C(N)CCSC)O; CSCC[C@@H](
    CO)N; CSCCC(CO)N; CSCC[C@H](N)CO    		 (2S)-2-amino-4-(methylsulfanyl)butan-1-ol
    39938
    UXT
    CHEMBL5087497    		 1 C33 H43 N7 O InChI=1S/C33H43N7O/c1-32(
    2)12-16-38(17-13-32)22-27
    -8-10-28(11-9-27)40-23-31
    (41)37-33(24-40)14-18-39(
    19-15-33)30-20-29(35-25-3
    6-30)34-21-26-6-4-3-5-7-2
    6/h3-11,20,25H,12-19,21-2
    4H2,1-2H3,(H,37,41)(H,34,
    35,36);
    SMOMNPRYHLVUTG-UHFFFAOYSA-N    		 CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN
    (CC4)c5cc(NCc6ccccc6)ncn5)C3; CC1(CCN(CC
    1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc
    (ncn5)NCc6ccccc6)C    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39939
    UXU
    CHEMBL4639113    		 1 C14 H10 F4 O3 S2 InChI=1S/C14H10F4O3S2/c1-
    23(20,21)13-10-9(5-14(17,
    18)12(10)19)11(22-13)6-2-
    7(15)4-8(16)3-6/h2-4,12,1
    9H,5H2,1H3/t12-/m0/s1;
    UWHUYKGCGHNLEP-LBPRGKRZSA-N    		 C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3
    cc(F)cc(F)c3; C[S](=O)(=O)c1sc(c2CC(F)(F
    )[C@@H](O)c12)c3cc(F)cc(F)c3; CS(=O)(=O)
    c1c2c(c(s1)c3cc(cc(c3)F)F)CC(C2O)(F)F; C
    S(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CC([C
    @H]2O)(F)F    		 (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
    39940
    UXW
    CHEMBL5082067    		 1 C32 H42 N8 O InChI=1S/C32H42N8O/c1-31(
    2)10-14-38(15-11-31)21-26
    -8-9-27(20-33-26)40-22-30
    (41)37-32(23-40)12-16-39(
    17-13-32)29-18-28(35-24-3
    6-29)34-19-25-6-4-3-5-7-2
    5/h3-9,18,20,24H,10-17,19
    ,21-23H2,1-2H3,(H,37,41)(
    H,34,35,36);
    LSPKIAXMFJWAHQ-UHFFFAOYSA-N    		 CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN
    (CC4)c5cc(NCc6ccccc6)ncn5)C3; CC1(CCN(CC
    1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc
    (ncn5)NCc6ccccc6)C    		 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39941
    UXY
    ZINC000005113470    		 0 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c7-2-1
    -4(9)3-5(8)6(10)11/h4-5,9
    H,1-3,7-8H2,(H,10,11)/t4-
    ,5+/m1/s1;
    ASYBZHICIMVQII-UHNVWZDZSA-N    		 C(CN)[C@H](C[C@@H](C(=O)O)N)O; NC(C(O)=O
    )CC(CCN)O; NCC[CH](O)C[CH](N)C(O)=O; NCC
    [C@@H](O)C[C@H](N)C(O)=O; C(CN)C(CC(C(=O
    )O)N)O    		 (4R)-4-hydroxy-L-lysine
    39942
    UXZ
    CHEMBL5084812    		 1 C27 H39 N7 O InChI=1S/C27H39N7O/c1-26(
    2)8-12-32(13-9-26)17-21-4
    -6-22(7-5-21)34-18-25(35)
    31-27(19-34)10-14-33(15-1
    1-27)24-16-23(28-3)29-20-
    30-24/h4-7,16,20H,8-15,17
    -19H2,1-3H3,(H,31,35)(H,2
    8,29,30);
    JNZJZYBWYKPHFG-UHFFFAOYSA-N    		 CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CC
    N(CC4)c5cc(ncn5)NC)C; CNc1cc(ncn1)N2CCC3
    (CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c
    c4    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39943
    UY0    		 1 C27 H35 Cl N6 O3 S InChI=1S/C27H35ClN6O3S/c1
    -19-18-29-26(31-20-7-10-2
    2(11-8-20)37-16-15-34-13-
    5-6-14-34)32-25(19)30-21-
    9-12-23(28)24(17-21)33-38
    (35,36)27(2,3)4/h7-12,17-
    18,33H,5-6,13-16H2,1-4H3,
    (H2,29,30,31,32);
    NXXALGDHLYKANS-UHFFFAOYSA-N    		 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4ccc(C
    l)c(N[S](=O)(=O)C(C)(C)C)c4; Cc1cnc(nc1N
    c2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(
    cc3)OCCN4CCCC4; CC(C)(C)S(=O)(=O)Nc1cc(c
    cc1Cl)Nc1nc(ncc1C)Nc1ccc(OCCN2CCCC2)cc1    		 N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
    39944
    UY1    		 0 C10 H15 N2 O9 P InChI=1S/C10H15N2O9P/c1-1
    9-8-6(13)5(3-20-22(16,17)
    18)21-7(8)4-2-11-10(15)12
    -9(4)14/h2,5-8,13H,3H2,1H
    3,(H2,16,17,18)(H2,11,12,
    14,15)/t5-,6-,7+,8-/m1/s1;
    VLDJGRCZRDFORR-OOJXKGFFSA-N    		 CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)N
    C2=O)COP(=O)(O)O)O; CO[CH]1[CH](O)[CH](C
    O[P](O)(O)=O)O[CH]1C2=CNC(=O)NC2=O; CO[C
    @@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]
    1C2=CNC(=O)NC2=O; COC1C(C(OC1C2=CNC(=O)N
    C2=O)COP(=O)(O)O)O; C1(C(OC)C(O)C(O1)COP
    (=O)(O)O)C2C(=O)NC(N=C2)=O    		 2'-O-methylpseudouridine-5'-monophosphate
    39945
    UY2
    CHEMBL5083959    		 1 C26 H37 N7 O InChI=1S/C26H37N7O/c1-25(
    2)8-12-31(13-9-25)17-20-4
    -6-21(7-5-20)33-18-26(30-
    24(33)34)10-14-32(15-11-2
    6)23-16-22(27-3)28-19-29-
    23/h4-7,16,19H,8-15,17-18
    H2,1-3H3,(H,30,34)(H,27,2
    8,29);
    JSLLBTAATPZHSC-UHFFFAOYSA-N    		 CNc1cc(ncn1)N2CCC3(CC2)CN(C(=O)N3)c4ccc(
    CN5CCC(C)(C)CC5)cc4; CC1(CCN(CC1)Cc2ccc(
    cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C    		 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one
    39946
    UY3    		 1 C15 H12 F4 O3 S2 InChI=1S/C15H12F4O3S2/c1-
    24(21,22)14-11-10(2-3-15(
    18,19)13(11)20)12(23-14)7
    -4-8(16)6-9(17)5-7/h4-6,1
    3,20H,2-3H2,1H3/t13-/m0/s
    1;
    SSIWQCYLGHKCQZ-ZDUSSCGKSA-N    		 CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CCC(
    [C@H]2O)(F)F; C[S](=O)(=O)c1sc(c2CCC(F)(
    F)[C@@H](O)c12)c3cc(F)cc(F)c3; C[S](=O)(
    =O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc(
    F)c3; CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)
    F)CCC(C2O)(F)F    		 (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol
    39947
    UY4    		 0 C15 H21 N6 O11 P InChI=1S/C15H21N6O11P/c1-
    5(22)7(14(25)26)19-15(27)
    20-11-8-12(17-3-16-11)21(
    4-18-8)13-10(24)9(23)6(32
    -13)2-31-33(28,29)30/h3-7
    ,9-10,13,22-24H,2H2,1H3,(
    H,25,26)(H2,28,29,30)(H2,
    16,17,19,20,27)/t5-,6+,7-
    ,9+,10+,13+/m0/s1;
    BHFCEFYJTLMMEQ-SDZKHPBCSA-N    		 CC(C(C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)O)O)O)O; C[CH](O)[CH](N
    C(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]3O)C(O)=O; C[C@H](O)[C@
    H](NC(=O)Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H]3O)C(O)=O; c2
    3n(C1OC(C(C1O)O)COP(O)(=O)O)cnc2c(ncn3)N
    C(NC(C(=O)O)C(C)O)=O; C[C@@H]([C@@H](C(=
    O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]
    ([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O    		 (2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid
    39948
    UY5
    CHEMBL5083998    		 1 C29 H43 N7 O InChI=1S/C29H43N7O/c1-22(
    2)32-25-17-26(31-21-30-25
    )35-15-11-29(12-16-35)20-
    36(19-27(37)33-29)24-7-5-
    23(6-8-24)18-34-13-9-28(3
    ,4)10-14-34/h5-8,17,21-22
    H,9-16,18-20H2,1-4H3,(H,3
    3,37)(H,30,31,32);
    HJOBOVGEKZTYKP-UHFFFAOYSA-N    		 CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c
    4ccc(CN5CCC(C)(C)CC5)cc4; CC(C)Nc1cc(ncn
    1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CC
    C(CC5)(C)C    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39949
    UY7
    ZINC000000895457    		 9 C5 H9 N O3 InChI=1S/C5H9NO3/c7-3-1-4
    (5(8)9)6-2-3/h3-4,6-7H,1-
    2H2,(H,8,9)/t3-,4+/m0/s1;
    PMMYEEVYMWASQN-IUYQGCFVSA-N    		 C1C(O)CNC1C(O)=O; C1C(CNC1C(=O)O)O; O[CH
    ]1CN[CH](C1)C(O)=O; C1[C@@H](CN[C@H]1C(=
    O)O)O; O[C@@H]1CN[C@H](C1)C(O)=O    		 (4S)-4-hydroxy-D-proline
    39950
    UY9    		 1 C31 H28 F3 N7 O2 InChI=1S/C31H28F3N7O2/c1-
    4-18-11-23-26(5-7-37-27(2
    3)24(12-18)29(42)35-2)41-
    9-6-20-21(25-16-39(3)38-2
    8(25)31(32,33)34)13-19(14
    -22(20)30(41)43)15-40-10-
    8-36-17-40/h5,7-8,10-14,1
    6-17H,4,6,9,15H2,1-3H3,(H
    ,35,42);
    SHGMSJNVTCKQHS-UHFFFAOYSA-N    		 CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc
    5)cc4c6cn(C)nc6C(F)(F)F)C3=O)c2c1; FC(F)
    (F)c1nn(C)cc1c1cc(Cn2ccnc2)cc2C(=O)N(CCc
    12)c1ccnc2c1cc(CC)cc2C(=O)NC; CCc1cc2c(c
    cnc2c(c1)C(=O)NC)N3CCc4c(cc(cc4C3=O)Cn5c
    cnc5)c6cn(nc6C(F)(F)F)C    		 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide
    39951
    UYA
    CHEMBL1229563
    ZINC000000895455    		 3 C5 H9 N O3 InChI=1S/C5H9NO3/c7-3-1-4
    (5(8)9)6-2-3/h3-4,6-7H,1-
    2H2,(H,8,9)/t3-,4-/m1/s1;
    PMMYEEVYMWASQN-QWWZWVQMSA-N    		 C1C(CNC1C(=O)O)O; O[CH]1CN[CH](C1)C(O)=O
    ; N1CC(CC1C(O)=O)O; C1[C@H](CN[C@H]1C(=O
    )O)O; O[C@H]1CN[C@H](C1)C(O)=O    		 (4R)-4-hydroxy-D-proline
    39952
    UYC
    ZINC000064622185    		 1 C33 H38 N4 O6 InChI=1S/C33H38N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7,13-15,19,34H,8-12H2
    ,1-6H3,(H,36,43)(H,37,42)
    (H,38,39)(H,40,41)/b20-7-
    ,26-13-,27-14-,29-15-/t19
    -/m1/s1;
    XAVVMXGLKJSJDU-NSNBCYBJSA-N    		 CCC1=C(C(=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)
    C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)CCC(=O)
    O)C)NC1=O)C; CCC1=C(C)C(NC1=O)=Cc2[nH]c(
    C=C3N=C(C=C4NC(=O)[CH](C)C4=CC)C(=C3CCC(
    O)=O)C)c(CCC(O)=O)c2C; CCC1=C(/C(=C/c2c(
    c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC
    )[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/
    NC1=O)C; CCC1=C(C)C(/NC1=O)=C/c2[nH]c(\C
    =C3/N=C(\C=C\4NC(=O)[C@H](C)C\4=C/C)C(=C
    3CCC(O)=O)C)c(CCC(O)=O)c2C    		 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    39953
    UYD
    ZINC000169702567    		 8 C21 H26 N8 O InChI=1S/C21H26N8O/c1-21(
    2,3)16-10-17(28-29(16)4)2
    4-18-14-11-22-27-19(14)26
    -20(25-18)23-15(12-30)13-
    8-6-5-7-9-13/h5-11,15,30H
    ,12H2,1-4H3,(H3,22,23,24,
    25,26,27,28)/t15-/m0/s1;
    MOLGZLFXZJMRCB-HNNXBMFYSA-N    		 Cn1nc(Nc2nc(N[CH](CO)c3ccccc3)nc4[nH]ncc
    24)cc1C(C)(C)C; CC(C)(C)c1cc(nn1C)Nc2c3c
    n[nH]c3nc(n2)N[C@@H](CO)c4ccccc4; C(Nc3n
    c(Nc1nn(C)c(c1)C(C)(C)C)c2c(nnc2)n3)(CO)
    c4ccccc4; CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c
    3nc(n2)NC(CO)c4ccccc4; Cn1nc(Nc2nc(N[C@@
    H](CO)c3ccccc3)nc4[nH]ncc24)cc1C(C)(C)C    		 (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
    39954
    UYF    		 1 C14 H18 F2 O4 S2 InChI=1S/C14H18F2O4S2/c1-
    22(18,19)13-10-9(7-14(15,
    16)11(10)17)12(21-13)20-8
    -5-3-2-4-6-8/h8,11,17H,2-
    7H2,1H3/t11-/m0/s1;
    VVRLYNNVBDMZCH-NSHDSACASA-N    		 CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC(C2O)(F
    )F; CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC([C
    @H]2O)(F)F; C[S](=O)(=O)c1sc(OC2CCCCC2)c
    3CC(F)(F)[CH](O)c13; C[S](=O)(=O)c1sc(OC
    2CCCCC2)c3CC(F)(F)[C@@H](O)c13    		 (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
    39955
    UYG
    ZINC000001698124    		 2 C16 H19 N3 O2 InChI=1S/C16H19N3O2/c1-9(
    2)14-16(21)18-13(15(20)19
    -14)7-10-8-17-12-6-4-3-5-
    11(10)12/h3-6,8-9,13-14,1
    7H,7H2,1-2H3,(H,18,21)(H,
    19,20)/t13-,14-/m0/s1;
    WNWCQIPRIITCPM-KBPBESRZSA-N    		 c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23;
    CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc
    3; CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[n
    H]c3c2cccc3; CC(C)[CH]1NC(=O)[CH](Cc2c[n
    H]c3ccccc23)NC1=O; CC(C)[C@@H]1NC(=O)[C@
    H](Cc2c[nH]c3ccccc23)NC1=O    		 (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
    39956
    UYH
    ZINC000095612921    		 5 C45 H86 O10 InChI=1S/C45H86O10/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-40(47)52-
    36-38(37-53-45-44(51)43(5
    0)42(49)39(35-46)55-45)54
    -41(48)34-32-30-28-26-24-
    22-20-18-16-14-12-10-8-6-
    4-2/h38-39,42-46,49-51H,3
    -37H2,1-2H3/t38-,39-,42-,
    43+,44-,45-/m1/s1;
    DCLTVZLYPPIIID-KTXJEQRFSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1
    )CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H](
    [C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCC
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC
    [CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCC
    CCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@@
    H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC
    CCCC    		 [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate
    39957
    UYI    		 1 C31 H42 N6 O3 InChI=1S/C31H42N6O3/c1-30
    (2,32)28(39)34-26(18-23-2
    0-33-25-15-10-9-14-24(23)
    25)27(38)37-17-11-16-31(2
    1-37,29(40)36(5)35(3)4)19
    -22-12-7-6-8-13-22/h6-10,
    12-15,20,26,33H,11,16-19,
    21,32H2,1-5H3,(H,34,39)/t
    26-,31-/m1/s1;
    VQPFSIRUEPQQPP-MXBOTTGLSA-N    		 CN(C)N(C)C(=O)[C@]1(CCCN(C1)C(=O)[C@@H](
    Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4cccc
    c4; CC(C)(C(=O)N[C@H](Cc1c[nH]c2c1cccc2)
    C(=O)N3CCC[C@](C3)(Cc4ccccc4)C(=O)N(C)N(
    C)C)N; CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[
    CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4
    ccccc4; CC(C)(C(=O)NC(Cc1c[nH]c2c1cccc2)
    C(=O)N3CCCC(C3)(Cc4ccccc4)C(=O)N(C)N(C)C
    )N    		 2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
    39958
    UYK
    CHEMBL4878439
    ZINC000149938083    		 1 C25 H30 N4 O4 InChI=1S/C25H30N4O4/c1-14
    (13-30-4)29-24-18-11-22(3
    1-5)19(23-15(2)28-33-16(2
    3)3)10-20(18)26-12-21(24)
    27-25(29)17-6-8-32-9-7-17
    /h10-12,14,17H,6-9,13H2,1
    -5H3/t14-/m1/s1;
    HYPXHDJBILNWLI-CQSZACIVSA-N    		 COC[C@@H](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4
    c(C)onc4C)C5CCOCC5; Cc1c(c(on1)C)c2cc3c(
    cc2OC)c4c(cn3)nc(n4C(C)COC)C5CCOCC5; COC
    [CH](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4c(C)o
    nc4C)C5CCOCC5; Cc1c(c(on1)C)c2cc3c(cc2OC
    )c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5    		 (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole;
    4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;
    4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
    39959
    UYL    		 1 C8 H12 N2 O InChI=1S/C8H12N2O/c11-7-4
    -8(6-10-7)2-1-3-9-5-8/h6,
    9H,1-5H2/t8-/m1/s1;
    JXAZNKVKSBLOCY-MRVPVSSYSA-N    		 O=C1C[C]2(CCCNC2)C=N1; O=C1C[C@@]2(CCCNC
    2)C=N1; C1C[C@@]2(CC(=O)N=C2)CNC1; C1CC2
    (CC(=O)N=C2)CNC1; O=C1N=CC2(C1)CCCNC2    		 (5R)-2,7-diazaspiro[4.5]dec-1-en-3-one
    39960
    UYM
    CHEMBL191011
    ZINC000004073922    		 6 C22 H20 N4 O2 InChI=1S/C22H20N4O2/c27-2
    1-19(9-13-11-23-17-7-3-1-
    5-15(13)17)25-22(28)20(26
    -21)10-14-12-24-18-8-4-2-
    6-16(14)18/h1-8,11-12,19-
    20,23-24H,9-10H2,(H,25,28
    )(H,26,27)/t19-,20-/m0/s1;
    DNHODRZUCGXYKU-PMACEKPBSA-N    		 c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C
    (=O)N3)Cc4c[nH]c5c4cccc5; n4cc(CC3C(NC(C
    c2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5; c1
    ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)N3)Cc4
    c[nH]c5c4cccc5; O=C1N[C@@H](Cc2c[nH]c3cc
    ccc23)C(=O)N[C@H]1Cc4c[nH]c5ccccc45; O=C
    1N[CH](Cc2c[nH]c3ccccc23)C(=O)N[CH]1Cc4c
    [nH]c5ccccc45    		 (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione
    39961
    UYN    		 1 C12 H21 N9 InChI=1S/C12H19N9/c1-6(18
    -20-11(14)15)8-3-9(5-10(1
    3)4-8)7(2)19-21-12(16)17/
    h3-5H,13H2,1-2H3,(H4,14,1
    5,20)(H4,16,17,21)/p+2/b1
    8-6+,19-7+;
    OJEQEZWXYYTFQK-JRGWAENISA-P    		 CC(=NNC(=[NH2+])N)c1cc(cc(c1)N)C(=NNC(=[
    NH2+])N)C; C/C(=N\NC(=[NH2+])N)/c1cc(cc(
    c1)/C(=N/NC(=[NH2+])N)/C)N; CC(=NNC(N)=[
    NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+]; C
    C(=N\NC(N)=[NH2+])/c1cc(N)cc(c1)\C(C)=N\
    NC(N)=[NH2+]    		 [[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium;
    BEV241
    39962
    UYO    		 1 C27 H43 N O4 InChI=1S/C27H43NO4/c1-18(
    8-6-14-26(3,4)28(31)32)23
    -12-13-24-20(9-7-15-27(23
    ,24)5)10-11-21-16-22(29)1
    7-25(30)19(21)2/h10-11,18
    ,22-25,29-30H,2,6-9,12-17
    H2,1,3-5H3/b20-10+,21-11-
    /t18-,22-,23-,24+,25+,27-
    /m1/s1;
    SSROHWHVGDBOBJ-NKMMMXOESA-N    		 C[C@H](CCCC(C)(C)[N](=O)=O)[C@H]1CC[C@H]
    2/C(CCC[C@]12C)=C/C=C\3C[C@@H](O)C[C@H](
    O)C\3=C; C[CH](CCCC(C)(C)[N](=O)=O)[CH]1
    CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O
    )C3=C; CC(CCCC(C)(C)N(=O)=O)C1CCC2C1(CCC
    C2=CC=C3CC(CC(C3=C)O)O)C; C[C@H](CCCC(C)
    (C)N(=O)=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2
    =C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C    		 (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol;
    25-nitro derivative of 1,25D3
    39963
    UYQ    		 6 C10 H16 N8 InChI=1S/C10H14N8/c11-9(1
    2)17-15-5-7-1-2-8(4-3-7)6
    -16-18-10(13)14/h1-6H,(H4
    ,11,12,17)(H4,13,14,18)/p
    +2/b15-5+,16-6+;
    DJQYBCUFGZTQSR-IAGONARPSA-P    		 c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[N
    H2+])N; c1cc(ccc1C=NNC(=[NH2+])N)C=NNC(=
    [NH2+])N; NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC
    (N)=[NH2+]; NC(=[NH2+])N\N=C\c1ccc(cc1)\
    C=N\NC(N)=[NH2+]    		 [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
    39964
    UYR
    ZINC000005949525    		 1 C8 H6 N2 O S InChI=1S/C8H6N2OS/c9-4-7(
    8(10)11)3-6-1-2-12-5-6/h1
    -3,5H,(H2,10,11)/b7-3+;
    ZXICRUZKUISQPW-XVNBXDOJSA-N    		 NC(=O)C(=Cc1cscc1)C#N; c1cscc1C=C(C#N)C(
    =O)N; c1cscc1/C=C(\C#N)/C(=O)N; NC(=O)/C
    (=C/c1cscc1)C#N; O=C(N)C(=C/c1ccsc1)/C#N    		 (2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide
    39965
    UYS
    CHEMBL5276282    		 0 C16 H17 N7 O InChI=1S/C16H17N7O/c1-23(
    2)14-11(9-8-10-6-4-3-5-7-
    10)20-12(13(17)21-14)15(2
    4)22-16(18)19/h3-7H,1-2H3
    ,(H2,17,21)(H4,18,19,22,2
    4);
    RQKKLGFFJIDEHC-UHFFFAOYSA-N    		 c1(c(N(C)C)nc(N)c(n1)C(\N=C(/N)N)=O)C#Cc
    2ccccc2; CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(
    =O)N=C(N)N; CN(C)c1c(nc(c(n1)N)C(=O)N=C(
    N)N)C#Cc2ccccc2    		 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
    39966
    UYT    		 3 C9 H13 N4 InChI=1S/C9H12N4/c1-7(12-
    13-9(10)11)8-5-3-2-4-6-8/
    h2-6H,1H3,(H4,10,11,13)/p
    +1/b12-7+;
    MRKZNCISKCWGLP-KPKJPENVSA-O    		 CC(=NNC(=[NH2+])N)c1ccccc1; C/C(=N\NC(=[
    NH2+])N)/c1ccccc1; CC(=NNC(N)=[NH2+])c1c
    cccc1; C\C(=N/NC(N)=[NH2+])c1ccccc1    		 [azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium;
    Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium;
    7377553
    39967
    UYU    		 1 C27 H45 N O2 InChI=1S/C27H45NO2/c1-18(
    8-6-14-26(3,4)28)23-12-13
    -24-20(9-7-15-27(23,24)5)
    10-11-21-16-22(29)17-25(3
    0)19(21)2/h10-11,18,22-25
    ,29-30H,2,6-9,12-17,28H2,
    1,3-5H3/b20-10+,21-11-/t1
    8-,22-,23-,24+,25+,27-/m1
    /s1;
    HGOIEBJZJNYVQW-NKMMMXOESA-N    		 CC(CCCC(C)(C)N)C1CCC2C1(CCCC2=CC=C3CC(CC
    (C3=C)O)O)C; C[C@H](CCCC(C)(C)N)[C@H]1CC
    [C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C
    @@H](C3=C)O)O)C; C[C@H](CCCC(C)(C)N)[C@H
    ]1CC[C@H]2/C(CCC[C@]12C)=C/C=C\3C[C@@H](
    O)C[C@H](O)C\3=C; C[CH](CCCC(C)(C)N)[CH]
    1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](
    O)C3=C    		 (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    39968
    UYW    		 1 C15 H16 Cl N4 O InChI=1S/C15H15ClN4O/c16-
    13-7-5-11(6-8-13)10-21-14
    -4-2-1-3-12(14)9-19-20-15
    (17)18/h1-9H,10H2,(H4,17,
    18,20)/p+1/b19-9+;
    QLZIJPLTRJOVDN-DJKKODMXSA-O    		 c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2
    )Cl; NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)c
    c2; c1ccc(c(c1)C=NNC(=[NH2+])N)OCc2ccc(c
    c2)Cl; NC(=[NH2+])N/N=C/c1ccccc1OCc2ccc(
    Cl)cc2    		 [azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
    39969
    UYX
    CHEMBL51
    DB12465
    ZINC000000537877    		 1 C22 H22 F N3 O3 InChI=1S/C22H22FN3O3/c23-
    17-7-5-15(6-8-17)20(27)16
    -9-11-25(12-10-16)13-14-2
    6-21(28)18-3-1-2-4-19(18)
    24-22(26)29/h1-8,16H,9-14
    H2,(H,24,29);
    FPCCSQOGAWCVBH-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(
    =O)c4ccc(cc4)F; Fc1ccc(cc1)C(=O)C2CCN(CC
    2)CCN3C(=O)Nc4ccccc4C3=O    		 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione
    39970
    UYY
    CHEMBL2436421
    ZINC000000410136    		 3 C8 H9 N O2 InChI=1S/C8H9NO2/c1-11-7-
    5-3-2-4-6(7)8(9)10/h2-5H,
    1H3,(H2,9,10);
    MNWSGMTUGXNYHJ-UHFFFAOYSA-N    		 COc1ccccc1C(=O)N; COc1ccccc1C(N)=O 2-methoxybenzamide
    39971
    UYZ
    CHEMBL5084119    		 1 C28 H37 N7 O InChI=1S/C28H37N7O/c1-27(
    2)8-13-33(14-9-27)17-21-3
    -5-22(6-4-21)35-18-24(36)
    32-28(19-35)10-15-34(16-1
    1-28)26-23-7-12-29-25(23)
    30-20-31-26/h3-7,12,20H,8
    -11,13-19H2,1-2H3,(H,32,3
    6)(H,29,30,31);
    BJJFIFKPWWSNGM-UHFFFAOYSA-N    		 CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN
    (CC4)c5ncnc6[nH]ccc56)C3; CC1(CCN(CC1)Cc
    2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[n
    H]c6ncn5)C    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one;
    4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
    39972
    UZ0
    ZINC000006091560    		 3 C9 H11 N5 O5 InChI=1S/C9H11N5O5/c10-13
    -12-6-7(17)4(3-15)19-8(6)
    14-2-1-5(16)11-9(14)18/h1
    -2,4,6-8,15,17H,3H2,(H,11
    ,16,18)/t4-,6-,7-,8-/m1/s
    1;
    MRUKYOQQKHNMFI-XVFCMESISA-N    		 OC[C@H]1O[C@H]([C@H](N=[N+]=[N-])[C@@H]1
    O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(
    C(C(O2)CO)O)N=[N+]=[N-]; C1=CN(C(=O)NC1=
    O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N
    +]=[N-]; OC[CH]1O[CH]([CH](N=[N+]=[N-])[
    CH]1O)N2C=CC(=O)NC2=O; N1(C=CC(NC1=O)=O)
    C2OC(C(C2N=[N+]=[N-])O)CO    		 2'-azido-2'-deoxyuridine
    39973
    UZ1
    ZINC000008437671    		 0 C3 H7 N InChI=1S/C3H7N/c4-3-1-2-3
    /h3H,1-2,4H2;
    HTJDQJBWANPRPF-UHFFFAOYSA-N    		 NC1CC1; C1CC1N cyclopropanamine
    39974
    UZ2
    CHEMBL5081806    		 1 C28 H41 N7 O InChI=1S/C28H41N7O/c1-27(
    2)9-13-33(14-10-27)18-22-
    5-7-23(8-6-22)35-19-26(36
    )32(4)28(20-35)11-15-34(1
    6-12-28)25-17-24(29-3)30-
    21-31-25/h5-8,17,21H,9-16
    ,18-20H2,1-4H3,(H,29,30,3
    1);
    QIXCWPPRGHCUNI-UHFFFAOYSA-N    		 CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3C)c4cc
    c(CN5CCC(C)(C)CC5)cc4; CC1(CCN(CC1)Cc2cc
    c(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)
    NC)C)C    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39975
    UZ3    		 2 C15 H13 Cl2 N3 O3 InChI=1S/C15H13Cl2N3O3/c1
    -23-11-2-3-12(14(18)21)13
    (7-11)20-15(22)19-10-5-8(
    16)4-9(17)6-10/h2-7H,1H3,
    (H2,18,21)(H2,19,20,22);
    LGINOCHKOLUZAO-UHFFFAOYSA-N    		 COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=
    O)N; COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(
    Cl)c2)c1    		 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide
    39976
    UZ4    		 0 C8 H14 N2 O4 InChI=1S/C8H14N2O4/c9-5(6
    (11)8(13)14)3-4-1-2-10-7(
    4)12/h4-6,11H,1-3,9H2,(H,
    10,12)(H,13,14)/t4-,5-,6+
    /m0/s1;
    YERLKFCTXVNUDF-HCWXCVPCSA-N    		 C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N
    ; N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)C(O)=
    O; N[CH](C[CH]1CCNC1=O)[CH](O)C(O)=O; NC
    (C(O)C(O)=O)CC1CCNC1=O; C1CNC(=O)C1CC(C(
    C(=O)O)O)N    		 (2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid
    39977
    UZ5
    CHEMBL5077332    		 1 C27 H37 F2 N7 O InChI=1S/C27H37F2N7O/c1-2
    6(2)4-8-34(9-5-26)15-19-1
    2-21(29)22(13-20(19)28)36
    -16-25(37)33-27(17-36)6-1
    0-35(11-7-27)24-14-23(30-
    3)31-18-32-24/h12-14,18H,
    4-11,15-17H2,1-3H3,(H,33,
    37)(H,30,31,32);
    GYWOVBUGFWWSJR-UHFFFAOYSA-N    		 CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)
    CCN(CC4)c5cc(ncn5)NC)F)C; CNc1cc(ncn1)N2
    CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)(
    C)CC5)cc4F    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39978
    UZ7
    ZINC000005555526    		 0 C7 H6 O3 InChI=1S/C7H6O3/c8-7(9)10
    -6-4-2-1-3-5-6/h1-5H,(H,8
    ,9);
    QIIPQYDSKRYMFG-UHFFFAOYSA-N    		 c1cc(ccc1)OC(O)=O; OC(=O)Oc1ccccc1; c1cc
    c(cc1)OC(=O)O    		 phenyl hydrogen carbonate
    39979
    UZ8    		 6 C11 H14 N2 O S InChI=1S/C11H14N2OS/c1-15
    -10-9(5-4-6-12-10)11(14)1
    3-7-2-3-8-13/h4-6H,2-3,7-
    8H2,1H3;
    NVMKKNCLFDOZEG-UHFFFAOYSA-N    		 O=C(c1cccnc1SC)N1CCCC1; CSc1c(cccn1)C(=O
    )N2CCCC2; CSc1ncccc1C(=O)N2CCCC2    		 [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone
    39980
    UZ9
    ZINC000058649982    		 0 C30 H50 N2 O4 InChI=1S/C30H50N2O4/c1-19
    (7-12-27(34)32-17-5-4-6-2
    6(31)28(35)36)23-10-11-24
    -22-9-8-20-18-21(33)13-15
    -29(20,2)25(22)14-16-30(2
    3,24)3/h19-20,22-26H,4-18
    ,31H2,1-3H3,(H,32,34)(H,3
    5,36)/t19-,20-,22+,23-,24
    +,25+,26+,29+,30-/m1/s1;
    NZNFUUCLWNSFAF-HLKVRRRCSA-N    		 C[CH](CCC(=O)NCCCC[CH](N)C(O)=O)[CH]1CC[
    CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C
    ]12C; C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N
    )[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[
    C@H]4[C@@]3(CCC(=O)C4)C)C; C[C@H](CCC(=O
    )NCCCC[C@H](N)C(O)=O)[C@H]1CC[C@H]2[C@@H
    ]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]1
    2C; O=C(O)C(N)CCCCNC(=O)CCC(C1CCC2C1(C)C
    CC4C2CCC3CC(=O)CCC34C)C; CC(CCC(=O)NCCCC
    C(C(=O)O)N)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)
    C4)C)C    		 (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID
    39981
    UZA    		 0 C10 H19 N O2 InChI=1S/C10H19NO2/c1-3-4
    -5-6-7-8-10(2,11)9(12)13/
    h4-5H,3,6-8,11H2,1-2H3,(H
    ,12,13)/b5-4+/t10-/m0/s1;
    FTUDBYYFEJZDPE-YEZKRMTDSA-N    		 CC/C=C/CCC[C@@](C)(C(=O)O)N; CCC=CCCC[C]
    (C)(N)C(O)=O; NC(C(=O)O)(C)CCC\C=C\CC; C
    CC=CCCCC(C)(C(=O)O)N; CC\C=C\CCC[C@](C)(
    N)C(O)=O    		 (2S,6E)-2-amino-2-methylnon-6-enoic acid
    39982
    UZB
    CHEMBL5076974    		 1 C28 H36 Cl N7 O InChI=1S/C28H36ClN7O/c1-2
    7(2)8-13-34(14-9-27)17-20
    -3-5-21(6-4-20)36-18-23(3
    7)33-28(19-36)10-15-35(16
    -11-28)25-22-7-12-30-24(2
    2)31-26(29)32-25/h3-7,12H
    ,8-11,13-19H2,1-2H3,(H,33
    ,37)(H,30,31,32);
    QFCRIUPWCMVQHW-UHFFFAOYSA-N    		 CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CC
    N(CC4)c5c6cc[nH]c6nc(n5)Cl)C; CC1(C)CCN(
    CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5nc(
    Cl)nc6[nH]ccc56)C3    		 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39983
    UZC    		 1 C4 B18 Fe InChI=1S/2C2B9.Fe/c1-2-4-
    5-3(1)7(1)6(1,2)8(2,4)10(
    4,5)9(3,5,7)11(6,7,8)10;3
    -4-1-2-5(3)7-6(3,4)10(1,4
    )8(7)9(1,2,10)11(2,5,7)8;
    /q-3;-2;+5;
    WLMSHMZRXWOHCU-UHFFFAOYSA-N    		 B12[B+]34[B-]56[B]78[B]39%10[C]%11%12[C]
    %13%14[B]15([B]67%13[B]89%11%14)[Fe]%15%
    16([B]24%10%12)[B]%17%18%19[C]%20%21[C]%
    22%23[B]%20%24%25[B]%17%21%26[B]%24%27%2
    8[B]%22%25%29[B]%27%30%31[B]%18%26%28[B]
    %15%19%30[B]%16%23%29%31; B12[B+]34[B-]5
    6[B]78[B]39%10[C@@]%11%12[C@@]%13%14[B]1
    5([B]67%13[B]89%11%14)[Fe]%15%16([B]24%1
    0%12)[B]%17%18%19[C@@]%20%21[C@@]%22%23[
    B]%20%24%25[B]%17%21%26[B]%24%27%28[B]%2
    2%25%29[B]%27%30%31[B]%18%26%28[B]%15%19
    %30[B]%16%23%29%31; B123B45B67B189B212B3
    3B44%10B565[Fe]78678%11%12(C911B234C%105
    16)B123B745B116B227B833B228B711B644B121C
    %1145C%12813    		 3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane)
    39984
    UZD    		 4 C15 H29 N O7 InChI=1S/C15H29NO7/c1-3-4
    -5-6-7-8-16-15(20)22-9-10
    -11(17)12(18)13(19)14(21-
    2)23-10/h10-14,17-19H,3-9
    H2,1-2H3,(H,16,20)/t10-,1
    1-,12-,13+,14-/m0/s1;
    XPIVOYOQXKNYHA-YHQUGGNUSA-N    		 CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O)
    [C@@H](O)[C@H]1O; CCCCCCCNC(=O)OC[CH]1O[
    CH](OC)[CH](O)[CH](O)[CH]1O; O=C(OCC1OC(
    C(C(C1O)O)O)OC)NCCCCCCC; CCCCCCCNC(=O)OC
    [C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)
    O)O; CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)
    O    		 methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
    39985
    UZE
    CHEMBL5092743    		 1 C27 H38 F N7 O InChI=1S/C27H38FN7O/c1-26
    (2)6-10-33(11-7-26)16-20-
    4-5-22(21(28)14-20)35-17-
    25(36)32-27(18-35)8-12-34
    (13-9-27)24-15-23(29-3)30
    -19-31-24/h4-5,14-15,19H,
    6-13,16-18H2,1-3H3,(H,32,
    36)(H,29,30,31);
    JFMKIJDUIQGGII-UHFFFAOYSA-N    		 CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3
    )CCN(CC4)c5cc(ncn5)NC)C; CNc1cc(ncn1)N2C
    CC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC
    5)cc4F    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39986
    UZF    		 1 C16 H15 N O S InChI=1S/C16H15NOS/c18-16
    (11-19)17-14-7-3-1-5-12(1
    4)9-10-13-6-2-4-8-15(13)1
    7/h1-8,19H,9-11H2;
    LSKXZDXJGRPCMD-UHFFFAOYSA-N    		 c1ccc2c(c1)CCc3ccccc3N2C(=O)CS; SCC(=O)N
    1c2ccccc2CCc3ccccc13    		 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone
    39987
    UZG    		 3 C22 H20 N4 O3 InChI=1S/C22H20N4O3/c1-27
    -19-10-8-16(12-20(19)28-2
    )29-15-6-3-13(4-7-15)22-2
    5-17-9-5-14(21(23)24)11-1
    8(17)26-22/h3-12H,1-2H3,(
    H3,23,24)(H,25,26);
    QMVSFWHTZQVRCC-UHFFFAOYSA-N    		 COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n
    4)\C(=N)N; [H]/N=C(/c1ccc2c(c1)[nH]c(n2)
    c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N; COc1ccc(
    Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N)cc1O
    C; COc1ccc(cc1OC)Oc2ccc(cc2)c3[nH]c4cc(c
    cc4n3)C(=N)N    		 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide
    39988
    UZH
    CHEMBL5078591    		 1 C27 H38 F N7 O InChI=1S/C27H38FN7O/c1-26
    (2)6-10-33(11-7-26)16-20-
    4-5-21(14-22(20)28)35-17-
    25(36)32-27(18-35)8-12-34
    (13-9-27)24-15-23(29-3)30
    -19-31-24/h4-5,14-15,19H,
    6-13,16-18H2,1-3H3,(H,32,
    36)(H,29,30,31);
    IYZMNTMLBDUPPA-UHFFFAOYSA-N    		 CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc
    (CN5CCC(C)(C)CC5)c(F)c4; CC1(CCN(CC1)Cc2
    ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn
    5)NC)C    		 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
    39989
    UZJ
    ZINC000004521357    		 1 C5 H10 O4 InChI=1S/C5H10O4/c6-3-1-5
    (8)9-2-4(3)7/h3-8H,1-2H2/
    t3-,4+,5+/m0/s1;
    ZVQAVWAHRUNNPG-VPENINKCSA-N    		 C1[C@@H]([C@@H](CO[C@H]1O)O)O; O[CH]1C[C
    H](O)[CH](O)CO1; C1C(C(COC1O)O)O; O[C@H]
    1C[C@H](O)[C@H](O)CO1; C1(O)C(CC(O)OC1)O    		 2-deoxy-beta-D-ribopyranose;
    2-deoxy-beta-D-erythro-pentopyranose
    39990
    UZK    		 1 C22 H28 N4 O3 InChI=1S/C22H28N4O3/c1-13
    -8-20(27)24-18-10-15(21(2
    8)23-7-6-14-2-3-14)4-5-19
    (18)26(13)22(29)25-11-16-
    9-17(16)12-25/h4-5,10,13-
    14,16-17H,2-3,6-9,11-12H2
    ,1H3,(H,23,28)(H,24,27)/t
    13-,16-,17+/m0/s1;
    CKFRXCBNKKOFGO-RRQGHBQHSA-N    		 C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[CH]4C[C
    H]4C3)C(=O)NCCC5CC5; C[C@H]1CC(=O)Nc2cc(
    ccc2N1C(=O)N3C[C@@H]4C[C@@H]4C3)C(=O)NCC
    C5CC5; C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C
    [C@H]4C[C@H]4C3)C(=O)NCCC5CC5; CC1CC(=O)
    Nc2cc(ccc2N1C(=O)N3CC4CC4C3)C(=O)NCCC5CC
    5    		 (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;
    (2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide
    39991
    UZL
    CHEMBL176605
    ZINC000005998209    		 0 C10 H15 N3 O5 InChI=1S/C10H15N3O5/c1-17
    -8-7(15)5(4-14)18-9(8)13-
    3-2-6(11)12-10(13)16/h2-3
    ,5,7-9,14-15H,4H2,1H3,(H2
    ,11,12,16)/t5-,7-,8-,9-/m
    1/s1;
    RFCQJGFZUQFYRF-ZOQUXTDFSA-N    		 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=CC
    (=NC2=O)N; CO[CH]1[CH](O)[CH](CO)O[CH]1N
    2C=CC(=NC2=O)N; COC1C(C(OC1N2C=CC(=NC2=O
    )N)CO)O; CO[C@@H]1[C@@H]([C@H](O[C@H]1N2
    C=CC(=NC2=O)N)CO)O    		 O2'-methylycytidine;
    4-azanyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
    39992
    UZM    		 1 C14 H18 Cl2 N2 O3 S InChI=1S/C14H18Cl2N2O3S/c
    15-10-2-3-11(12(16)8-10)9
    (7-14(20)18-21)6-13(19)17
    -4-1-5-22/h2-3,8-9,21-22H
    ,1,4-7H2,(H,17,19)(H,18,2
    0)/t9-/m0/s1;
    IGKGDGVXYQXVLZ-VIFPVBQESA-N    		 c1cc(c(cc1Cl)Cl)C(CC(=O)NCCCS)CC(=O)NO;
    ONC(=O)C[CH](CC(=O)NCCCS)c1ccc(Cl)cc1Cl;
    c1c(cc(c(c1)C(CC(NO)=O)CC(=O)NCCCS)Cl)C
    l; c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC
    (=O)NO; ONC(=O)C[C@H](CC(=O)NCCCS)c1ccc(
    Cl)cc1Cl    		 (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide
    39993
    UZN    		 0 C7 H16 N2 O2 InChI=1S/C7H16N2O2/c1-2-3
    -4-6(8)5-9-7(10)11/h6,9H,
    2-5,8H2,1H3,(H,10,11)/t6-
    /m0/s1;
    GSVUHFSDGXYXHO-LURJTMIESA-N    		 CCCCC(CNC(=O)O)N; CCCC[CH](N)CNC(O)=O; C
    CCC[C@H](N)CNC(O)=O; CCCC[C@@H](CNC(=O)O
    )N    		 [(2~{S})-2-azanylhexyl]carbamic acid
    39994
    UZP    		 1 C16 H22 Cl2 N2 O3 InChI=1S/C16H22Cl2N2O3/c1
    -2-3-4-7-19-15(21)8-11(9-
    16(22)20-23)13-6-5-12(17)
    10-14(13)18/h5-6,10-11,23
    H,2-4,7-9H2,1H3,(H,19,21)
    (H,20,22)/t11-/m1/s1;
    FHIDAHOTTVOIDA-LLVKDONJSA-N    		 CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(Cl)cc1C
    l; CCCCCNC(=O)CC(CC(=O)NO)c1ccc(cc1Cl)Cl
    ; CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl
    )Cl; CCCCCNC(=O)C[CH](CC(=O)NO)c1ccc(Cl)
    cc1Cl; c1c(cc(c(C(CC(=O)NCCCCC)CC(=O)NO)
    c1)Cl)Cl    		 (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide
    39995
    UZQ    		 1 C22 H24 F N3 O3 InChI=1S/C22H24FN3O3/c1-3
    -4-11-24-21(28)15-9-10-19
    -18(13-15)25-20(27)12-14(
    2)26(19)22(29)16-7-5-6-8-
    17(16)23/h5-10,13-14H,3-4
    ,11-12H2,1-2H3,(H,24,28)(
    H,25,27)/t14-/m0/s1;
    RZHHEEJRHNWMHI-AWEZNQCLSA-N    		 CCCCNC(=O)c1ccc2N([C@@H](C)CC(=O)Nc2c1)C
    (=O)c3ccccc3F; CCCCNC(=O)c1ccc2c(c1)NC(=
    O)C[C@@H](N2C(=O)c3ccccc3F)C; CCCCNC(=O)
    c1ccc2c(c1)NC(=O)CC(N2C(=O)c3ccccc3F)C;
    CCCCNC(=O)c1ccc2N([CH](C)CC(=O)Nc2c1)C(=
    O)c3ccccc3F    		 (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;
    (2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide
    39996
    UZR
    ZINC000098209516    		 2 C9 H13 N5 O8 P InChI=1S/C9H12N5O8P/c10-1
    3-12-6-7(16)4(3-21-23(18,
    19)20)22-8(6)14-2-1-5(15)
    11-9(14)17/h1-2,4,6-8,10,
    16H,3H2,(H2-,11,15,17,18,
    19,20)/p+1/t4-,6-,7-,8-/m
    1/s1;
    FKBDCNLBVFTTRL-XVFCMESISA-O    		 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(\N=[
    N+]=[N@H])C2O; O[C@@H]1[C@@H](CO[P](O)(O
    )=O)O[C@H]([C@@H]1N=[N+]=N)N2C=CC(=O)NC2
    =O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(
    O)O)O)N=[N+]=N; C1=CN(C(=O)NC1=O)[C@H]2[
    C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N
    +]=N; O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH
    ]1N=[N+]=N)N2C=CC(=O)NC2=O    		 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
    39997
    UZS    		 1 C7 H15 N O2 S InChI=1S/C7H15NO2S/c9-7(8
    -10)5-3-1-2-4-6-11/h10-11
    H,1-6H2,(H,8,9);
    XKCHGAJRKPXTNT-UHFFFAOYSA-N    		 C(CCCS)CCC(=O)NO; ONC(=O)CCCCCCS; ONC(CC
    CCCCS)=O    		 N-hydroxy-7-sulfanylheptanamide
    39998
    UZT    		 1 C22 H31 N5 O3 InChI=1S/C22H31N5O3/c1-14
    -12-20(28)25-18-13-16(21(
    29)24-9-6-15-2-3-15)4-5-1
    9(18)27(14)22(30)26-10-7-
    17(23)8-11-26/h4-5,13-15,
    17H,2-3,6-12,23H2,1H3,(H,
    24,29)(H,25,28)/t14-/m0/s
    1;
    YEYZZZLQSMITHG-AWEZNQCLSA-N    		 C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC
    3)C(=O)NCCC4CC4; C[C@H]1CC(=O)Nc2cc(ccc2
    N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4; C[CH]1
    CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC3)C(=O)
    NCCC4CC4; CC1CC(=O)Nc2cc(ccc2N1C(=O)N3CC
    C(CC3)N)C(=O)NCCC4CC4    		 (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;
    (2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide
    39999
    UZV    		 1 C5 H11 N O2 S InChI=1S/C5H11NO2S/c7-5(6
    -8)3-1-2-4-9/h8-9H,1-4H2,
    (H,6,7);
    FTZSDBLOZDZSRD-UHFFFAOYSA-N    		 C(CCS)CC(=O)NO; ONC(=O)CCCCS; C(CCCCS)(N
    O)=O    		 N-hydroxy-5-sulfanylpentanamide
    40000
    UZW
    CHEMBL4448410    		 4 C13 H11 N5 O2 S InChI=1S/C13H11N5O2S/c19-
    13(15-20)10-5-3-9(4-6-10)
    8-18-12(14-16-17-18)11-2-
    1-7-21-11/h1-7,20H,8H2,(H
    ,15,19);
    UFUGFWWXDWPEQE-UHFFFAOYSA-N    		 c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO; ONC(
    =O)c1ccc(Cn2nnnc2c3sccc3)cc1    		 ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide
    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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