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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    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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