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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
    40001 VQ0
    CHEMBL1923482
    ZINC000073156487    		 1 C19 H12 Cl3 N3 O4 InChI=1S/C19H12Cl3N3O4/c2
    0-12-1-2-16(29-14-6-11(9-
    23)5-13(21)7-14)17(8-12)2
    8-4-3-25-10-15(22)18(26)2
    4-19(25)27/h1-2,5-8,10H,3
    -4H2,(H,24,26,27);
    MPBULEIWOAXAKX-UHFFFAOYSA-N    		 Clc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCN3C=C(Cl
    )C(=O)NC3=O)c1; c1cc(c(cc1Cl)OCCN2C=C(C(
    =O)NC2=O)Cl)Oc3cc(cc(c3)Cl)C#N; N#Cc1cc(
    cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)N
    C1=O    		 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
    40002 VQ1
    CHEMBL4278090
    ZINC000004097334    		 2 C24 H31 N7 O6 InChI=1S/C24H31N7O6/c1-13
    (33)28-16(9-14-5-7-15(36-
    4)8-6-14)23(35)29-18-17(1
    0-32)37-24(20(18)34)31-12
    -27-19-21(30(2)3)25-11-26
    -22(19)31/h5-8,11-12,16-1
    8,20,24,32,34H,9-10H2,1-4
    H3,(H,28,33)(H,29,35)/t16
    -,17+,18+,20+,24+/m0/s1;
    LADKVYSQIGJMFP-IYRMOJGWSA-N    		 COc1ccc(C[C@H](NC(C)=O)C(=O)N[C@H]2[C@@H
    ](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C
    )C)cc1; CC(=O)NC(Cc1ccc(cc1)OC)C(=O)NC2C
    (OC(C2O)n3cnc4c3ncnc4N(C)C)CO; CC(=O)N[C
    @@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[
    C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO; C2(
    C(NC(C(NC(C)=O)Cc1ccc(OC)cc1)=O)C(CO)OC2
    n3cnc4c3ncnc4N(C)C)O; COc1ccc(C[CH](NC(C
    )=O)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cn
    c4c(ncnc34)N(C)C)cc1    		 N-Acetylpuromycin;
    3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine
    40003 VQ2
    ZINC000169744979    		 1 C11 H16 B N O3 InChI=1S/C11H16BNO3/c1-3-
    13(4-2)11(14)9-5-7-10(8-6
    -9)12(15)16/h5-8,15-16H,3
    -4H2,1-2H3;
    ZCGVBHIMRVYWOH-UHFFFAOYSA-N    		 CCN(CC)C(=O)c1ccc(cc1)B(O)O; B(c1ccc(cc1
    )C(=O)N(CC)CC)(O)O; O=C(N(CC)CC)c1ccc(cc
    1)B(O)O    		 [4-(diethylcarbamoyl)phenyl]boronic acid
    40004 VQ5 2 C18 H19 Cl N6 O7 S InChI=1S/C18H19ClN6O7S/c1
    -8-9(3-2-4-10(8)19)17(28)
    24-33(29,30)31-5-11-13(26
    )14(27)18(32-11)25-7-23-1
    2-15(20)21-6-22-16(12)25/
    h2-4,6-7,11,13-14,18,26-2
    7H,5H2,1H3,(H,24,28)(H2,2
    0,21,22)/t11-,13-,14-,18-
    /m1/s1;
    NHHJUHWTWOXCDU-XWXWGSFUSA-N    		 Cc1c(cccc1Cl)C(=O)NS(=O)(=O)OCC2C(C(C(O2
    )n3cnc4c3ncnc4N)O)O; Cc1c(cccc1Cl)C(=O)N
    S(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)
    n3cnc4c3ncnc4N)O)O; Cc1c(Cl)cccc1C(=O)N[
    S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3c
    nc4c(N)ncnc34; Cc1c(Cl)cccc1C(=O)N[S](=O
    )(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3c
    nc4c(N)ncnc34    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate
    40005 VQ6
    ZINC000037183603    		 1 C11 H11 F2 N O2 InChI=1S/C11H11F2NO2/c12-
    7-2-1-3-8(13)9(7)10(11(15
    )16)14-6-4-5-6/h1-3,6,10,
    14H,4-5H2,(H,15,16)/t10-/
    m1/s1;
    LLCVJLSDVSYPMV-SNVBAGLBSA-N    		 c1cc(c(c(c1)F)C(C(=O)O)NC2CC2)F; OC(=O)C
    (NC1CC1)c1c(F)cccc1F; OC(=O)[C@H](NC1CC1
    )c2c(F)cccc2F; OC(=O)[CH](NC1CC1)c2c(F)c
    ccc2F; c1cc(c(c(c1)F)[C@H](C(=O)O)NC2CC2
    )F    		 (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid
    40006 VQ7
    CHEMBL3792924
    ZINC000584905732    		 2 C23 H19 Cl F5 N3 O5 S InChI=1S/C23H19ClF5N3O5S/
    c1-31-20(32-4-6-38(34,35)
    7-5-32)11-19(30-22(31)33)
    36-12-13-8-17(25)21(18(26
    )9-13)37-14-2-3-16(24)15(
    10-14)23(27,28)29/h2-3,8-
    11H,4-7,12H2,1H3;
    FLCSHCSBIFPQJJ-UHFFFAOYSA-N    		 CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c
    (c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4; CN1C
    (=O)N=C(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F
    )F)c(F)c2)C=C1N4CC[S](=O)(=O)CC4    		 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one
    40007 VQ8 1 Fe4 O3 S2 InChI=1S/4Fe.3O.2S;
    DEAINXNPDRNZAH-UHFFFAOYSA-N    		 O1[Fe]O[Fe]2S[Fe]3[S]2[Fe]1O3; O1[Fe]O[F
    e]2O[Fe](S[Fe]1)S2    		 hybrid cluster
    40008 VQ9 1 C26 H27 F3 N4 O5 S2 InChI=1S/C26H27F3N4O5S2/c
    1-31(39(2,35)36)24-9-4-3-
    8-23(24)25(34)30-20-10-12
    -22(13-11-20)40(37,38)33-
    16-14-32(15-17-33)21-7-5-
    6-19(18-21)26(27,28)29/h3
    -13,18H,14-17H2,1-2H3,(H,
    30,34);
    JURGWQSEARSCQN-UHFFFAOYSA-N    		 CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CC
    N(CC3)c4cccc(c4)C(F)(F)F)S(=O)(=O)C; CN(
    c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN
    (CC3)c4cccc(c4)C(F)(F)F)[S](C)(=O)=O    		 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide
    40009 VQA
    CHEMBL4288251    		 1 C32 H40 O3 InChI=1S/C32H40O3/c1-24(2
    5-15-10-7-11-16-25)32-22-
    21-29(33)28(32)23-27(31(3
    2)26-17-12-8-13-18-26)19-
    9-5-3-2-4-6-14-20-30(34)3
    5/h7-8,10-13,15-18,28-29,
    33H,1-6,9,14,19-23H2,(H,3
    4,35)/t28-,29+,32-/m0/s1;
    YGTFMMNUBBGVSN-LBRLCBGXSA-N    		 c4ccc(C(=C)/C31C(CC(CCCCCCCCCC(O)=O)=C1c
    2ccccc2)C(O)CC3)cc4; C=C(c1ccccc1)[C@@]2
    3CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCC
    C(=O)O)O; O[CH]1CC[C]2([CH]1CC(=C2c3cccc
    c3)CCCCCCCCCC(O)=O)C(=C)c4ccccc4; C=C(c1
    ccccc1)C23CCC(C2CC(=C3c4ccccc4)CCCCCCCCC
    C(=O)O)O; O[C@@H]1CC[C@@]2([C@H]1CC(=C2c
    3ccccc3)CCCCCCCCCC(O)=O)C(=C)c4ccccc4    		 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid
    40010 VQB
    CHEMBL1905991
    ZINC000000802036    		 1 C8 H11 Cl N4 InChI=1S/C8H11ClN4/c9-7-6
    (10)8(12-5-11-7)13-3-1-2-
    4-13/h5H,1-4,10H2;
    HGBSHFZMWYKLPY-UHFFFAOYSA-N    		 c1nc(c(c(n1)Cl)N)N2CCCC2; Nc1c(Cl)ncnc1N
    2CCCC2; Nc1c(ncnc1Cl)N1CCCC1    		 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine
    40011 VQC 2 C19 H29 N O4 S InChI=1S/C19H29NO4S/c1-18
    -9-7-13(24-25(20,22)23)11
    -12(18)3-4-14-15-5-6-17(2
    1)19(15,2)10-8-16(14)18/h
    3,13-16H,4-11H2,1-2H3,(H2
    ,20,22,23)/t13-,14-,15-,1
    6-,18-,19-/m0/s1;
    PGZGPYMGHNIKHG-USOAJAOKSA-N    		 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]
    34C)O[S](N)(=O)=O)[C@@H]1CCC2=O; C[C]12C
    C[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](N)(=
    O)=O)[CH]1CCC2=O; CC12CCC3C(C1CCC2=O)CC=
    C4C3(CCC(C4)OS(=O)(=O)N)C; C[C@]12CC[C@H
    ]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@
    H](C4)OS(=O)(=O)N)C    		 [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
    40012 VQD 2 C27 H25 F2 N5 O4 InChI=1S/C27H25F2N5O4/c28
    -22-8-7-20(13-23(22)29)27
    (36)33-9-10-38-16-25(33)2
    4-15-34(32-30-24)21(14-26
    (35)31-37)12-17-5-6-18-3-
    1-2-4-19(18)11-17/h1-8,11
    ,13,15,21,25,37H,9-10,12,
    14,16H2,(H,31,35)/t21-,25
    +/m1/s1;
    DDQJIEMCJUWZNL-BWKNWUBXSA-N    		 c1c5c(ccc1)ccc(CC(CC(=O)NO)n2cc(nn2)C3CO
    CCN3C(=O)c4ccc(c(c4)F)F)c5; c1ccc2cc(ccc
    2c1)CC(CC(=O)NO)n3cc(nn3)C4COCCN4C(=O)c5
    ccc(c(c5)F)F; ONC(=O)C[CH](Cc1ccc2ccccc2
    c1)n3cc(nn3)[CH]4COCCN4C(=O)c5ccc(F)c(F)
    c5; ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n3cc(
    nn3)[C@@H]4COCCN4C(=O)c5ccc(F)c(F)c5; c1
    ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[
    C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F    		 (3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide
    40013 VQE 1 C16 H25 N5 InChI=1S/C16H25N5/c1-3-11
    (4-2)14-10-16(19-13-6-5-1
    2(17)9-13)21-15(20-14)7-8
    -18-21/h7-8,10-13,19H,3-6
    ,9,17H2,1-2H3;
    VYKCLMALANGCDF-UHFFFAOYSA-N    		 CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n3nccc3n
    1; CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3
    n1; CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@
    @H](C3)N; CCC(CC)c1cc(n2c(n1)ccn2)NC3CCC
    (C3)N    		 (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
    40014 VQF 3 C9 H15 N3 O2 InChI=1S/C9H15N3O2/c1-4-5
    -6-7(10)11(2)9(14)12(3)8(
    6)13/h6,10H,4-5H2,1-3H3/b
    10-7-/t6-/m0/s1;
    HYOCAKGKTNODNY-FQUWQITNSA-N    		 CN1C(=O)C(CCC)C(=N)N(C)C1=O; [H]/N=C\1/C
    (C(=O)N(C(=O)N1C)C)CCC; CCC[C@H]1C(=N)N(
    C)C(=O)N(C)C1=O; CCCC1C(=N)N(C(=O)N(C1=O
    )C)C; CCC[CH]1C(=N)N(C)C(=O)N(C)C1=O    		 (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
    40015 VQG 2 C25 H27 F2 N5 O3 InChI=1S/C25H27F2N5O3/c1-
    15(28-25(34)19-8-9-21(26)
    22(27)12-19)23-14-32(31-2
    9-23)20(13-24(33)30-35)11
    -16-6-7-17-4-2-3-5-18(17)
    10-16/h6-10,12,14-15,20,3
    5H,2-5,11,13H2,1H3,(H,28,
    34)(H,30,33)/t15-,20+/m0/
    s1;
    VQGQRXDQPMXXSZ-MGPUTAFESA-N    		 CC(c1cn(nn1)C(Cc2ccc3c(c2)CCCC3)CC(=O)NO
    )NC(=O)c4ccc(c(c4)F)F; C[CH](NC(=O)c1ccc
    (F)c(F)c1)c2cn(nn2)[CH](CC(=O)NO)Cc3ccc4
    CCCCc4c3; C[C@H](NC(=O)c1ccc(F)c(F)c1)c2
    cn(nn2)[C@@H](CC(=O)NO)Cc3ccc4CCCCc4c3;
    C(=O)(NO)CC(Cc1ccc2c(c1)CCCC2)n3cc(nn3)C
    (C)NC(=O)c4ccc(c(F)c4)F; C[C@@H](c1cn(nn
    1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O
    )c4ccc(c(c4)F)F    		 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide
    40016 VQH 2 C20 H31 N O4 S InChI=1S/C20H31NO4S/c1-19
    -9-7-15(25-26(21,23)24)11
    -13(19)3-5-16-17-6-4-14(1
    2-22)20(17,2)10-8-18(16)1
    9/h3,12,14-18H,4-11H2,1-2
    H3,(H2,21,23,24)/t14-,15+
    ,16+,17+,18+,19+,20-/m1/s
    1;
    BSUGDHVLNLTINT-IPOQXWOTSA-N    		 CC12CCC3C(C1CCC2C=O)CC=C4C3(CCC(C4)OS(=O
    )(=O)N)C; C[C@]12CC[C@H]3[C@H]([C@@H]1CC
    [C@@H]2C=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O
    )(=O)N)C; C[C]12CC[CH]3[CH](CC=C4C[CH](C
    C[C]34C)O[S](N)(=O)=O)[CH]1CC[CH]2C=O; C
    [C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]3
    4C)O[S](N)(=O)=O)[C@@H]1CC[C@@H]2C=O    		 [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
    40017 VQI
    CHEMBL3775060
    ZINC000263620472    		 1 C23 H27 N O3 InChI=1S/C23H27NO3/c1-15(
    2)14-24-11-10-19-13-21(25
    )16(3)12-20(19)23(24)18-7
    -4-17(5-8-18)6-9-22(26)27
    /h4-9,12-13,15,23,25H,10-
    11,14H2,1-3H3,(H,26,27)/b
    9-6+/t23-/m1/s1;
    GPXQLFBYCIDAAI-MFJULSPGSA-N    		 Cc1cc2c(cc1O)CCN(C2c3ccc(cc3)C=CC(=O)O)C
    C(C)C; Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3
    )/C=C/C(=O)O)CC(C)C; CC(C)CN1CCc2cc(O)c(
    C)cc2[CH]1c3ccc(C=CC(O)=O)cc3; CC(C)CN1C
    Cc2cc(O)c(C)cc2[C@H]1c3ccc(\C=C\C(O)=O)c
    c3    		 (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
    40018 VQJ 2 C23 H20 F2 N6 O3 InChI=1S/C23H20F2N6O3/c24
    -19-6-5-16(10-20(19)25)23
    (33)27-12-17-13-31(30-28-
    17)18(11-22(32)29-34)8-14
    -3-4-15-2-1-7-26-21(15)9-
    14/h1-7,9-10,13,18,34H,8,
    11-12H2,(H,27,33)(H,29,32
    )/t18-/m1/s1;
    NEONSMDVMOADLB-GOSISDBHSA-N    		 ONC(=O)C[CH](Cc1ccc2cccnc2c1)n3cc(CNC(=O
    )c4ccc(F)c(F)c4)nn3; c1cc2ccc(cc2nc1)C[C
    @H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)
    F)F; ONC(=O)C[C@@H](Cc1ccc2cccnc2c1)n3cc
    (CNC(=O)c4ccc(F)c(F)c4)nn3; c4c3ccc(CC(C
    C(=O)NO)n2cc(CNC(=O)c1ccc(c(c1)F)F)nn2)c
    c3ncc4; c1cc2ccc(cc2nc1)CC(CC(=O)NO)n3cc
    (nn3)CNC(=O)c4ccc(c(c4)F)F    		 3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide
    40019 VQK 1 C24 H18 Cl2 N2 O3 InChI=1S/C24H18Cl2N2O3/c1
    -2-24(29)28-20-5-3-4-16(1
    1-20)8-9-30-23-14-18(25)6
    -7-22(23)31-21-12-17(15-2
    7)10-19(26)13-21/h2-7,10-
    14H,1,8-9H2,(H,28,29);
    JKEJVDFTNRUUBQ-UHFFFAOYSA-N    		 C=CC(=O)Nc1cccc(c1)CCOc2cc(ccc2Oc3cc(cc(
    c3)Cl)C#N)Cl; Clc1ccc(Oc2cc(Cl)cc(c2)C#N
    )c(OCCc3cccc(NC(=O)C=C)c3)c1; Clc1cc(OCC
    c2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2
    )cc1    		 N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
    40020 VQL
    ZINC000000122724    		 1 C8 H9 N5 S2 InChI=1S/C8H9N5S2/c1-4-10
    -5(3-15-4)6-11-7(9)13-8(1
    2-6)14-2/h3H,1-2H3,(H2,9,
    11,12,13);
    CONHQKZCNGTWSR-UHFFFAOYSA-N    		 Cc1nc(cs1)c1nc(SC)nc(N)n1; CSc1nc(N)nc(n
    1)c2csc(C)n2; Cc1nc(cs1)c2nc(nc(n2)SC)N    		 (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine
    40021 VQN 1 C46 H57 F N8 O9 InChI=1S/C46H57FN8O9/c1-2
    8(2)22-36(50-46(63)64-27-
    30-6-4-3-5-7-30)42(59)49-
    32(23-31-12-15-48-41(31)5
    8)8-11-40(57)54-20-18-52(
    19-21-54)26-29-13-16-53(1
    7-14-29)38-25-34-33(24-35
    (38)47)44(61)55(45(34)62)
    37-9-10-39(56)51-43(37)60
    /h3-8,11,24-25,28-29,31-3
    2,36-37H,9-10,12-23,26-27
    H2,1-2H3,(H,48,58)(H,49,5
    9)(H,50,63)(H,51,56,60)/b
    11-8-/t31-,32-,36-,37-/m1
    /s1;
    OZVSHTNTPRENCA-MFMCKUBZSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C=CC(=O)N2CCN
    (CC2)CC3CCN(CC3)c4cc5c(cc4F)C(=O)N(C5=O)
    C6CCC(=O)NC6=O)NC(=O)OCc7ccccc7; CC(C)C[
    C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@
    H]2CCNC2=O)\C=C/C(=O)N3CCN(CC3)CC4CCN(CC
    4)c5cc6C(=O)N([C@@H]7CCC(=O)NC7=O)C(=O)c
    6cc5F; CC(C)C[C@H](C(=O)N[C@@H](C[C@H]1C
    CNC1=O)/C=C\C(=O)N2CCN(CC2)CC3CCN(CC3)c4
    cc5c(cc4F)C(=O)N(C5=O)[C@@H]6CCC(=O)NC6=
    O)NC(=O)OCc7ccccc7; CC(C)C[CH](NC(=O)OCc
    1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=CC(=O
    )N3CCN(CC3)CC4CCN(CC4)c5cc6C(=O)N([CH]7C
    CC(=O)NC7=O)C(=O)c6cc5F    		 (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    40022 VQO 5 C H2 N O InChI=1S/CH3NO/c2-1-3/h1H
    ,(H2,2,3)/p-1;
    ZHNUHDYFZUAESO-UHFFFAOYSA-M    		 C(=N)[O-]; [O-]C=N; [H]/N=C\[O-] methanimidate
    40023 VQP
    CHEMBL4780060    		 4 C23 H27 F2 N5 O2 InChI=1S/C23H27F2N5O2/c1-
    13-10-14(24)18(29-22(32)2
    6-9-8-23(2,3)4)11-17(13)2
    8-16-7-6-15-19(20(16)25)2
    1(31)30(5)12-27-15/h6-7,1
    0-12,28H,8-9H2,1-5H3,(H2,
    26,29,32);
    LERFSNRPSMKJCV-UHFFFAOYSA-N    		 Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC
    (=O)NCCC(C)(C)C)F; c1(cc(c(cc1NC(NCCC(C)
    (C)C)=O)Nc3ccc2c(C(N(C)C=N2)=O)c3F)C)F;
    CN1C=Nc2ccc(Nc3cc(NC(=O)NCCC(C)(C)C)c(F)
    cc3C)c(F)c2C1=O    		 N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
    40024 VQQ
    ZINC000011951781    		 4 C9 H12 Cl N O InChI=1S/C9H12ClNO/c1-12-
    9-3-2-8(10)6-7(9)4-5-11/h
    2-3,6H,4-5,11H2,1H3;
    YDRHMPXHIWRLIE-UHFFFAOYSA-N    		 COc1ccc(cc1CCN)Cl; COc1ccc(Cl)cc1CCN 2-(5-chloro-2-methoxyphenyl)ethan-1-amine
    40025 VQR 1 C24 H35 N3 O6 InChI=1S/C24H35N3O6/c1-16
    (2)13-20(27-24(31)33-15-1
    7-7-5-4-6-8-17)23(30)26-1
    9(9-10-21(28)32-3)14-18-1
    1-12-25-22(18)29/h4-8,16,
    18-20H,9-15H2,1-3H3,(H,25
    ,29)(H,26,30)(H,27,31)/t1
    8-,19-,20-/m0/s1;
    JGJNNQJIGUGNAT-UFYCRDLUSA-N    		 CC(C)CC(C(=O)NC(CCC(=O)OC)CC1CCNC1=O)NC(
    =O)OCc2ccccc2; COC(=O)CC[CH](C[CH]1CCNC1
    =O)NC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2; C
    C(C)C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C[C@@
    H]1CCNC1=O)NC(=O)OCc2ccccc2; COC(=O)CC[C
    @@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)
    NC(=O)OCc2ccccc2    		 methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate
    40026 VQS
    CHEMBL3410672
    ZINC000147632641    		 1 C24 H31 N5 O4 S2 InChI=1S/C24H31N5O4S2/c1-
    16-15-33-13-11-29(16)21-1
    4-20(24(8-9-24)35(31,32)1
    9-6-7-19)27-22(28-21)17-2
    -4-18(5-3-17)26-23(34)25-
    10-12-30/h2-5,14,16,19,30
    H,6-13,15H2,1H3,(H2,25,26
    ,34)/t16-/m0/s1;
    JWGVUDPAMQEIJU-INIZCTEOSA-N    		 C[CH]1COCCN1c2cc(nc(n2)c3ccc(NC(=S)NCCO)
    cc3)C4(CC4)[S](=O)(=O)C5CC5; C1C(C1)S(C5
    (c3cc(nc(c2ccc(cc2)NC(=S)NCCO)n3)N4C(C)C
    OCC4)CC5)(=O)=O; C[C@H]1COCCN1c2cc(nc(n2
    )c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5
    CC5; CC1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S
    )NCCO)C4(CC4)S(=O)(=O)C5CC5; C[C@H]1COCC
    N1c2cc(nc(n2)c3ccc(NC(=S)NCCO)cc3)C4(CC4
    )[S](=O)(=O)C5CC5    		 N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea
    40027 VQT 1 C29 H29 Cl F3 N7 O S InChI=1S/C29H29ClF3N7OS/c
    30-19-8-18-23(22(33)21(19
    )17-4-5-20(32)25-24(17)36
    -27(34)42-25)37-28(38-26(
    18)39-11-15-2-3-16(12-39)
    35-15)41-13-29-6-1-7-40(2
    9)10-14(31)9-29/h4-5,8,14
    -16,35H,1-3,6-7,9-13H2,(H
    2,34,36)/t14-,15-,16+,29+
    /m1/s1;
    SDXLEIDIYQSYQN-VKUCFUFASA-N    		 Nc1sc2c(F)ccc(c2n1)c3c(Cl)cc4c(nc(OC[C]5
    6CCCN5C[CH](F)C6)nc4c3F)N7C[CH]8CC[CH](C
    7)N8; Nc1sc2c(F)ccc(c2n1)c3c(Cl)cc4c(nc(
    OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N7C[C@@
    H]8CC[C@H](C7)N8; FC1CC2(CCCN2C1)COc1nc2
    c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N
    1CC2CCC(N2)C1; c1cc(c2c(c1c3c(cc4c(c3F)n
    c(nc4N5CC6CCC(C5)N6)OCC78CCCN7CC(C8)F)Cl
    )nc(s2)N)F; c1cc(c2c(c1c3c(cc4c(c3F)nc(n
    c4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@]78CCCN7
    C[C@@H](C8)F)Cl)nc(s2)N)F    		 (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine
    40028 VQU
    ZINC000000295207    		 1 C9 H10 N2 O2 S InChI=1S/C9H10N2O2S/c12-9
    (13)7-5-14-8(11-7)6-2-1-3
    -10-4-6/h1-4,7-8,11H,5H2,
    (H,12,13)/t7-,8-/m1/s1;
    FSNGLHIMQHWTNF-HTQZYQBOSA-N    		 c1cc(cnc1)C2N[C@H](CS2)C(=O)O; OC(=O)C1N
    C(SC1)c1cnccc1; OC(=O)[C@H]1CS[C@@H](N1)
    c2cccnc2; c1cc(cnc1)C2NC(CS2)C(=O)O; OC(
    =O)[CH]1CS[CH](N1)c2cccnc2    		 (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid
    40029 VQV 3 C9 H14 N2 O12 P2 InChI=1S/C9H14N2O12P2/c12
    -5-1-2-11(9(14)10-5)8-6(1
    3)7(23-25(18,19)20)4(22-8
    )3-21-24(15,16)17/h1-2,4,
    6-8,13H,3H2,(H,10,12,14)(
    H2,15,16,17)(H2,18,19,20)
    /t4-,6-,7+,8+/m0/s1;
    ZPVPRWPOZBXDKD-ZAKLUEHWSA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@
    H](O2)COP(=O)(O)O)OP(=O)(O)O)O; O=C1N(C=
    CC(=O)N1)C2C(O)C(OP(O)(=O)O)C(COP(O)(O)=
    O)O2; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O
    )(O)O)OP(=O)(O)O)O; O[CH]1[CH](O[P](O)(O
    )=O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)N
    C2=O; O[C@H]1[C@H](O[P](O)(O)=O)[C@H](CO
    [P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O    		 1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
    40030 VQW 2 C20 H33 N O4 S InChI=1S/C20H33NO4S/c1-12
    -10-17(22)20(3)9-7-16-15(
    18(12)20)5-4-13-11-14(25-
    26(21,23)24)6-8-19(13,16)
    2/h12-16,18H,4-11H2,1-3H3
    ,(H2,21,23,24)/t12-,13-,1
    4-,15-,16+,18+,19+,20-/m1
    /s1;
    DFYROWLUBVOBKY-VXQQXVLUSA-N    		 CC1CC(=O)C2(C1C3CCC4CC(CCC4(C3CC2)C)OS(=
    O)(=O)N)C; C[C@@H]1CC(=O)[C@@]2([C@@H]1[
    C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3CC
    2)C)OS(=O)(=O)N)C; C[CH]1CC(=O)[C]2(C)CC
    [CH]3[CH](CC[CH]4C[CH](CC[C]34C)O[S](N)(
    =O)=O)[CH]12; C[C@@H]1CC(=O)[C@@]2(C)CC[
    C@H]3[C@@H](CC[C@@H]4C[C@@H](CC[C@]34C)O
    [S](N)(=O)=O)[C@H]12    		 [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
    40031 VQX 4 C15 H26 N4 O5 InChI=1S/C15H26N4O5/c16-1
    8-17-7-5-3-1-2-4-6-10(21)
    19-11-9(8-20)13(22)15(24)
    14(23)12(11)19/h9,11-15,2
    0,22-24H,1-8H2/t9-,11-,12
    -,13-,14-,15-,19-/m0/s1;
    BVEYUFNXLOTLDG-DWDHYAMMSA-N    		 OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]
    2[C@H]1N2C(=O)CCCCCCCN=[N+]=[N-]; OC[CH]
    1[CH](O)[CH](O)[CH](O)[CH]2[CH]1N2C(=O)C
    CCCCCCN=[N+]=[N-]; C(CCCC(=O)N1C2C1C(C(C
    (C2CO)O)O)O)CCCN=[N+]=[N-]; C(CCCC(=O)N1
    [C@@H]2C1[C@@H]([C@H]([C@H]([C@H]2CO)O)O
    )O)CCCN=[N+]=[N-]    		 8-azido-1-((1S,2S,3S,4S,5R,6S)-2,3,4-trihydroxy-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptan-7-yl)octan-1-one
    40032 VQY 1 C36 H53 N O5 P InChI=1S/C36H52NO5P/c1-29
    (30-18-13-10-14-19-30)36-
    24-23-34(38)33(36)28-32(3
    5(36)31-20-15-11-16-21-31
    )22-12-8-6-5-7-9-17-26-41
    -43(39,40)42-27-25-37(2,3
    )4/h10-11,13-16,18-21,33-
    34,38H,1,5-9,12,17,22-28H
    2,2-4H3/p+1/t33-,34+,36-/
    m0/s1;
    MBOVKUNNAXYQOK-LFBNJJMOSA-O    		 C[N+](C)(C)CCO[P](O)(=O)OCCCCCCCCCC1=C(c
    2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccc
    cc4; C[N+](C)(C)CCO[P](O)(=O)OCCCCCCCCCC
    1=C(c2ccccc2)[C@@]3(CC[C@@H](O)[C@@H]3C1
    )C(=C)c4ccccc4; C[N+](C)(C)CCOP(=O)(O)OC
    CCCCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3
    )c4ccccc4; c4ccc(C(/C31C(CC(=C1c2ccccc2)
    CCCCCCCCCOP(OCC[N+](C)(C)C)(=O)O)C(O)CC3
    )=C)cc4; C[N+](C)(C)CCOP(=O)(O)OCCCCCCCC
    CC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3
    ccccc3)c4ccccc4    		 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
    40033 VQZ
    ZINC000021958676    		 1 C8 H12 N2 O2 S InChI=1S/C8H12N2O2S/c1-13
    (11,12)10-8-5-3-2-4-7(8)6
    -9/h2-5,10H,6,9H2,1H3;
    GUCNMQCZHRIZSR-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1ccccc1CN; O=S(C)(=O)Nc1cccc
    c1CN; C[S](=O)(=O)Nc1ccccc1CN    		 N-[2-(aminomethyl)phenyl]methanesulfonamide
    40034 VR
    ZINC000034742777    		 1 C5 H13 O3 P InChI=1S/C5H13O3P/c1-5(2)
    4-8-9(3,6)7/h5H,4H2,1-3H3
    ,(H,6,7);
    ZNGLGLXWTVMUCL-UHFFFAOYSA-N    		 CC(C)CO[P@@](=O)(C)O; CC(C)CO[P](C)(O)=O
    ; CC(C)COP(=O)(C)O; O=P(O)(OCC(C)C)C    		 2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE
    40035 VR0
    ZINC000098209536    		 0 C8 H17 N5 O3 InChI=1S/C8H17N5O3/c1-11-
    8(16)13-7(10)12-4-2-3-5(9
    )6(14)15/h5H,2-4,9H2,1H3,
    (H,14,15)(H4,10,11,12,13,
    16)/t5-/m0/s1;
    HXZSPNCUGZQZJU-YFKPBYRVSA-N    		 CNC(=O)NC(=N)NCCC[CH](N)C(O)=O; [H]/N=C(
    /NCCC[C@@H](C(=O)O)N)\NC(=O)NC; CNC(=O)N
    C(=N)NCCCC(C(=O)O)N; CNC(=O)NC(=N)NCCC[C
    @H](N)C(O)=O; O=C(O)C(N)CCCNC(=[N@H])NC(
    =O)NC    		 N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine
    40036 VR1
    CHEMBL232545
    ZINC000028822376    		 2 C24 H19 F N4 O7 S2 InChI=1S/C24H19FN4O7S2/c1
    -2-17-9-10-18(36-17)13-20
    -22(30)27-24(37-20)26-21(
    14-3-5-15(25)6-4-14)23(31
    )28-38(34,35)19-11-7-16(8
    -12-19)29(32)33/h3-13,21H
    ,2H2,1H3,(H,28,31)(H,26,2
    7,30)/b20-13-/t21-/m0/s1;
    RNPVTWTZIDCHEC-MSTPFNHUSA-N    		 CCc1oc(cc1)\C=C\2SC(=NC\2=O)N[C@H](C(=O)
    N[S](=O)(=O)c3ccc(cc3)[N+]([O-])=O)c4ccc
    (F)cc4; O=C(NS(=O)(=O)c1ccc([N+]([O-])=O
    )cc1)C(NC2=NC(=O)C(\S2)=C\c3oc(cc3)CC)c4
    ccc(F)cc4; CCc1ccc(o1)C=C2C(=O)N=C(S2)NC
    (c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N
    +](=O)[O-]; CCc1ccc(o1)\C=C/2\C(=O)N=C(S
    2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4c
    cc(cc4)[N+](=O)[O-]; CCc1oc(cc1)C=C2SC(=
    NC2=O)N[CH](C(=O)N[S](=O)(=O)c3ccc(cc3)[
    N+]([O-])=O)c4ccc(F)cc4    		 (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE
    40037 VR2
    ZINC000098209537    		 1 C20 H24 I N3 O2 InChI=1S/C20H24IN3O2/c1-1
    6(9-15-26-19-4-2-17(21)3-
    5-19)8-12-23-13-14-24(20(
    23)25)18-6-10-22-11-7-18/
    h2-7,10-11,16H,8-9,12-15H
    2,1H3/t16-/m0/s1;
    SVYVYARVADIYRJ-INIZCTEOSA-N    		 Ic3ccc(OCCC(CCN2C(=O)N(c1ccncc1)CC2)C)cc
    3; C[CH](CCOc1ccc(I)cc1)CCN2CCN(C2=O)c3c
    cncc3; C[C@H](CCOc1ccc(I)cc1)CCN2CCN(C2=
    O)c3ccncc3; C[C@@H](CCN1CCN(C1=O)c2ccncc
    2)CCOc3ccc(cc3)I; CC(CCN1CCN(C1=O)c2ccnc
    c2)CCOc3ccc(cc3)I    		 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
    40038 VR3 1 C19 H31 N O3 S InChI=1S/C19H31NO3S/c1-18
    -9-3-4-16(18)15-6-5-13-12
    -14(23-24(20,21)22)7-11-1
    9(13,2)17(15)8-10-18/h5,1
    4-17H,3-4,6-12H2,1-2H3,(H
    2,20,21,22)/t14-,15-,16-,
    17-,18-,19-/m0/s1;
    YUEPLWPAJBAOGC-DYKIIFRCSA-N    		 C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C
    @@]4([C@H]3CC2)C)OS(=O)(=O)N; CC12CCCC1C
    3CC=C4CC(CCC4(C3CC2)C)OS(=O)(=O)N; C[C@@
    ]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C
    )[C@H]3CC2)O[S](N)(=O)=O; C[C]12CCC[CH]1
    [CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC2)O[S](N
    )(=O)=O    		 [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
    40039 VR4
    GC376 alpha-ketoamide analog (bound form)    		 4 C29 H38 N4 O6 InChI=1S/C29H38N4O6/c1-19
    (2)15-24(33-29(38)39-18-2
    1-11-7-4-8-12-21)27(36)32
    -23(16-22-13-14-30-26(22)
    35)25(34)28(37)31-17-20-9
    -5-3-6-10-20/h3-12,19,22-
    25,34H,13-18H2,1-2H3,(H,3
    0,35)(H,31,37)(H,32,36)(H
    ,33,38)/t22-,23-,24-,25+/
    m0/s1;
    MPMTWRHFCLPCDF-OJJQZRKESA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NCc2cc
    ccc2)O)NC(=O)OCc3ccccc3; CC(C)C[CH](NC(=
    O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[C
    H](O)C(=O)NCc3ccccc3; CC(C)C[C@H](NC(=O)
    OCc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)
    [C@@H](O)C(=O)NCc3ccccc3; C(c1ccccc1)OC(
    NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=
    O)CC(C)C)=O; CC(C)C[C@@H](C(=O)N[C@@H](C
    [C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)N
    C(=O)OCc3ccccc3    		 N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide;
    40040 VR5 2 C32 H29 F6 N7 O S InChI=1S/C32H29F6N7OS/c33
    -15-9-31(6-1-7-45(31)11-1
    5)14-46-30-42-26-19(29(43
    -30)44-12-16-2-3-17(13-44
    )41-16)8-21(32(36,37)38)2
    4(25(26)35)18-4-5-22(34)2
    7-23(18)20(10-39)28(40)47
    -27/h4-5,8,15-17,41H,1-3,
    6-7,9,11-14,40H2/t15-,16-
    ,17+,31+/m1/s1;
    KFVWCOMHUKVKIB-QHXZRSOMSA-N    		 c1cc(c2c(c1c3c(cc4c(c3F)nc(nc4N5C[C@H]6C
    C[C@@H](C5)N6)OC[C@@]78CCCN7C[C@@H](C8)F
    )C(F)(F)F)c(c(s2)N)C#N)F; Nc1sc2c(F)ccc(
    c3c(F)c4nc(OC[C]56CCCN5C[CH](F)C6)nc(N7C
    [CH]8CC[CH](C7)N8)c4cc3C(F)(F)F)c2c1C#N;
    FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2
    c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(
    N2)C1; Nc1sc2c(F)ccc(c3c(F)c4nc(OC[C@@]5
    6CCCN5C[C@H](F)C6)nc(N7C[C@H]8CC[C@@H](C
    7)N8)c4cc3C(F)(F)F)c2c1C#N; c1cc(c2c(c1c
    3c(cc4c(c3F)nc(nc4N5CC6CCC(C5)N6)OCC78CC
    CN7CC(C8)F)C(F)(F)F)c(c(s2)N)C#N)F    		 (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
    40041 VR6
    ZINC000035287222    		 1 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-2-
    6-14-12(5-1)16-9-7-13-10-
    11-4-3-8-15-11/h1-6,8,13H
    ,7,9-10H2;
    RMGIKRSEGHAEEZ-UHFFFAOYSA-N    		 C(CNCc1ccco1)Oc1ccccn1; c1ccnc(c1)OCCNCc
    2ccco2; C(COc1ccccn1)NCc2occc2    		 N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine
    40042 VR7
    CHEMBL4245097    		 1 C11 H8 O3 S InChI=1S/C11H8O3S/c12-10-
    2-1-7(5-9(10)11(13)14)8-3
    -4-15-6-8/h1-6,12H,(H,13,
    14);
    ZGSXCSMJOZJLKM-UHFFFAOYSA-N    		 OC(=O)c1cc(ccc1O)c2cscc2; c1cc(c(cc1c2cc
    sc2)C(=O)O)O; c1c(ccc(c1C(O)=O)O)c2ccsc2    		 2-hydroxy-5-(thiophen-3-yl)benzoic acid
    40043 VR9 1 C21 H20 Cl N3 O3 InChI=1S/C21H20ClN3O3/c1-
    3-21(26)24(2)9-10-27-20-1
    2-16(22)6-7-19(20)28-18-5
    -4-8-25-14-15(13-23)11-17
    (18)25/h4-8,11-12,14H,3,9
    -10H2,1-2H3;
    JGVPYFGTILBIQL-UHFFFAOYSA-N    		 CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc2cccn3cc(cc2
    3)C#N; CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn
    2cc(cc12)C#N; CCC(=O)N(C)CCOc1cc(ccc1Oc2
    cccn3c2cc(c3)C#N)Cl    		 N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
    40044 VRA
    CHEMBL1236682
    DB06309
    ZINC000039187987    		 1 C19 H20 F3 I N2 O5 S InChI=1S/C19H20F3IN2O5S/c
    1-30-15-7-13(21)16(22)18(
    24-14-3-2-10(23)6-12(14)2
    0)17(15)25-31(28,29)19(4-
    5-19)8-11(27)9-26/h2-3,6-
    7,11,24-27H,4-5,8-9H2,1H3
    /t11-/m0/s1;
    RDSACQWTXKSHJT-NSHDSACASA-N    		 COc1cc(c(c(c1NS(=O)(=O)C2(CC2)CC(CO)O)Nc
    3ccc(cc3F)I)F)F; COc1cc(F)c(F)c(Nc2ccc(I
    )cc2F)c1N[S](=O)(=O)C3(CC3)C[CH](O)CO; C
    Oc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)
    O)Nc3ccc(cc3F)I)F)F; COc1cc(F)c(F)c(Nc2c
    cc(I)cc2F)c1N[S](=O)(=O)C3(CC3)C[C@H](O)
    CO; O=S(=O)(Nc2c(Nc1ccc(I)cc1F)c(F)c(F)c
    c2OC)C3(CC(O)CO)CC3    		 N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide
    40045 VRB
    ZINC000098209538    		 11 C33 H42 N4 O6 InChI=1S/C33H42N4O6/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/h13,27,34-35H,7-12,14-
    15H2,1-6H3,(H,36,43)(H,37
    ,42)(H,38,39)(H,40,41)/b2
    6-13-/t27-/m1/s1;
    KTSIPBCNIBDFRK-JTNIOKRPSA-N    		 CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=
    C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O
    )=O)c2C; CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C
    c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C
    )CCC(=O)O)CCC(=O)O)C)C; CCC1=C(C)C(=O)N[
    C@@H]1Cc2[nH]c(Cc3[nH]c(\C=C4/NC(=O)C(=C
    4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C; CCC
    1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]
    3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=
    O)O)C)C    		 Phycoviolobilin, blue light-absorbing form;
    3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr rol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
    40046 VRC 1 C7 H8 N2 O3 InChI=1S/C7H8N2O3/c8-4-5-
    3-6(9(11)12)1-2-7(5)10/h1
    -3,6H,4,8H2;
    RIRRHVGTJTXLLP-UHFFFAOYSA-N    		 C1=CC(=O)C(=CC1N(=O)=O)CN; O=N(=O)C1C=CC
    (=O)C(CN)=C1; NCC1=C[C@H](C=CC1=O)[N](=O
    )=O; NCC1=C[CH](C=CC1=O)[N](=O)=O    		 (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one
    40047 VRD
    CHEMBL148674
    DB11909
    ZINC000001543773    		 10 C21 H20 N2 O5 InChI=1S/C21H20N2O5/c1-2-
    14-19(20(26)21(22)27)18-1
    5(9-6-10-16(18)28-12-17(2
    4)25)23(14)11-13-7-4-3-5-
    8-13/h3-10H,2,11-12H2,1H3
    ,(H2,22,27)(H,24,25);
    BHLXTPHDSZUFHR-UHFFFAOYSA-N    		 CCc2c(C(C(=O)N)=O)c1c(cccc1n2Cc3ccccc3)O
    CC(=O)O; CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(
    =O)O)C(=O)C(=O)N; CCc1n(Cc2ccccc2)c3cccc
    (OCC(O)=O)c3c1C(=O)C(N)=O    		 ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid;
    Varespladib
    40048 VRF 1 C23 H20 N2 O3 InChI=1S/C23H20N2O3/c1-3-
    23(26)25(2)13-14-27-21-8-
    4-5-9-22(21)28-20-10-6-7-
    18-15-17(16-24)11-12-19(1
    8)20/h3-12,15H,1,13-14H2,
    2H3;
    WLNNVBKTQQOUDW-UHFFFAOYSA-N    		 CN(CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N)C(=O)
    C=C; C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C
    #N)ccc21; CN(CCOc1ccccc1Oc2cccc3cc(ccc23
    )C#N)C(=O)C=C    		 N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
    40049 VRG
    ZINC000024975004    		 0 C24 H35 N7 O8 InChI=1S/C24H35N7O8/c1-14
    (32)28-16(10-7-11-27-23(2
    5)30-24(39)26-2)21(36)31(
    3)18(12-15-8-5-4-6-9-15)2
    0(35)29-17(22(37)38)13-19
    (33)34/h4-6,8-9,16-18H,7,
    10-13H2,1-3H3,(H,28,32)(H
    ,29,35)(H,33,34)(H,37,38)
    (H4,25,26,27,30,39)/t16-,
    17-,18-/m0/s1;
    UFMHANUUWPWJKF-BZSNNMDCSA-N    		 [H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1c
    cccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)
    C)/NC(=O)NC; CC(=O)NC(CCCNC(=N)NC(=O)NC)
    C(=O)N(C)C(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=
    O)O; O=C(NC)NC(=[N@H])NCCCC(NC(=O)C)C(=O
    )N(C(C(=O)NC(C(=O)O)CC(=O)O)Cc1ccccc1)C;
    CNC(=O)NC(=N)NCCC[C@H](NC(C)=O)C(=O)N(C
    )[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C
    (O)=O; CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=
    O)N(C)[CH](Cc1ccccc1)C(=O)N[CH](CC(O)=O)
    C(O)=O    		 N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-aspartic acid
    40050 VRH
    ZINC000025821504    		 2 C11 H15 N O4 InChI=1S/C11H15NO4/c1-8-4
    -5-9(10(6-8)14-2)16-7-11(
    13)12-15-3/h4-6H,7H2,1-3H
    3,(H,12,13);
    YEBZKMWVAQUTLC-UHFFFAOYSA-N    		 CONC(=O)COc1ccc(C)cc1OC; Cc1ccc(c(c1)OC)
    OCC(=O)NOC; COc1cc(C)ccc1OCC(=O)NOC    		 N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide
    40051 VRI 2 C21 H35 N O4 S InChI=1S/C21H35NO4S/c1-13
    (23)17-6-7-18-16-5-4-14-1
    2-15(26-27(22,24)25)8-10-
    20(14,2)19(16)9-11-21(17,
    18)3/h14-19H,4-12H2,1-3H3
    ,(H2,22,24,25)/t14-,15+,1
    6-,17+,18-,19-,20-,21+/m0
    /s1;
    TULYOJHBEVGAOD-SYBPFIFISA-N    		 CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C
    ]4(C)[CH]3CC[C]12C)O[S](N)(=O)=O; CC(=O)
    C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)N
    )C)C; CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H
    ]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)OS(=O
    )(=O)N)C)C; CC(=O)[C@H]1CC[C@H]2[C@@H]3C
    C[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C
    )O[S](N)(=O)=O    		 [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
    40052 VRJ 1 C26 H27 F N2 O5 S InChI=1S/C26H27FN2O5S/c1-
    26(2,3)35(32,33)29-25(31)
    20-10-8-18(27)14-22(20)16
    -7-9-21-23(13-16)34-15-17
    (24(21)30)12-19-6-4-5-11-
    28-19/h4-11,13-14,17,24,3
    0H,12,15H2,1-3H3,(H,29,31
    )/t17-,24+/m0/s1;
    DJXXSNJFTPBZSH-BXKMTCNYSA-N    		 CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(
    c2)OCC(C3O)Cc4ccccn4)F; CC(C)(C)[S](=O)(
    =O)NC(=O)c1ccc(F)cc1c2ccc3[C@H](O)[C@H](
    COc3c2)Cc4ccccn4; CC(C)(C)S(=O)(=O)NC(=O
    )c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc
    4ccccn4)F; O=S(=O)(C(C)(C)C)NC(=O)c4c(c3
    ccc1c(OCC(C1O)Cc2ccccn2)c3)cc(cc4)F; CC(
    C)(C)[S](=O)(=O)NC(=O)c1ccc(F)cc1c2ccc3[
    CH](O)[CH](COc3c2)Cc4ccccn4    		 N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide
    40053 VRK 1 C20 H27 N O3 InChI=1S/C20H27NO3/c21-10
    -17-14-1-2-16(22)19(23)15
    (14)6-18(24-17)20-7-11-3-
    12(8-20)5-13(4-11)9-20/h1
    -2,11-13,17-18,22-23H,3-1
    0,21H2/t11-,12+,13-,17-,1
    8-,20-/m1/s1;
    QLJOSZATCBCBDR-HHDLIXMQSA-N    		 NC[C@H]1O[C@H](Cc2c(O)c(O)ccc12)C34CC5CC
    (CC(C5)C3)C4; c1cc(c(c2c1[C@H](O[C@H](C2
    )C34CC5CC(C3)CC(C5)C4)CN)O)O; NC[CH]1O[C
    H](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
    ; c1cc(c(c2c1C(OC(C2)C34CC5CC(C3)CC(C5)C
    4)CN)O)O    		 (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol
    40054 VRL
    ZINC000021982853    		 2 C11 H13 N O3 InChI=1S/C11H13NO3/c1-15-
    11(14)10-9-3-2-8(13)6-7(9
    )4-5-12-10/h2-3,6,10,12-1
    3H,4-5H2,1H3/t10-/m1/s1;
    HWLKUJXDHHWAIQ-SNVBAGLBSA-N    		 O=C(OC)C1NCCc2cc(O)ccc12; COC(=O)[CH]1NC
    Cc2cc(O)ccc12; COC(=O)C1c2ccc(cc2CCN1)O;
    COC(=O)[C@H]1c2ccc(cc2CCN1)O; COC(=O)[C
    @@H]1NCCc2cc(O)ccc12    		 methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
    40055 VRM
    CHEMBL5189272
    ZINC000039270886    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-7-5-9(
    12-11-7)8-3-2-4-10-6-8/h2
    -6H,1H3,(H,11,12);
    CGQOLRWLPQPKLV-UHFFFAOYSA-N    		 Cc1cc([nH]n1)c2cccnc2; c1(cc(C)nn1)c2cnc
    cc2    		 3-(3-methyl-1H-pyrazol-5-yl)pyridine
    40056 VRN 2 C18 H23 N O4 S InChI=1S/C18H23NO4S/c1-18
    -9-8-14-13-5-3-12(23-24(1
    9,21)22)10-11(13)2-4-15(1
    4)16(18)6-7-17(18)20/h3,5
    ,10,14-16H,2,4,6-9H2,1H3,
    (H2,19,21,22)/t14-,15-,16
    +,18+/m1/s1;
    RVKFQAJIXCZXQY-CBZIJGRNSA-N    		 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1
    CCC2=O)OS(=O)(=O)N; C[C@]12CC[C@H]3[C@@H
    ](CCc4cc(O[S](N)(=O)=O)ccc34)[C@@H]1CCC2
    =O; C[C]12CC[CH]3[CH](CCc4cc(O[S](N)(=O)
    =O)ccc34)[CH]1CCC2=O; CC12CCC3c4ccc(cc4C
    CC3C1CCC2=O)OS(=O)(=O)N    		 [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
    40057 VRO
    CHEMBL3990078
    ZINC000095921325    		 2 C14 H14 N2 O5 InChI=1S/C14H14N2O5/c1-21
    -9-5-2-8(3-6-9)4-7-10-11(
    13(18)19)15-14(20)16-12(1
    0)17/h2-3,5-6H,4,7H2,1H3,
    (H,18,19)(H2,15,16,17,20);
    XBHJLUPPMAQXSR-UHFFFAOYSA-N    		 O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(OC)cc2;
    COc1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1;
    COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O    		 5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    40058 VRP
    CHEMBL55076
    ZINC000005782527    		 4 C21 H39 N O6 InChI=1S/C21H39NO6/c1-2-3
    -4-10-13-17(24)14-11-8-6-
    5-7-9-12-15-18(25)19(26)2
    1(22,16-23)20(27)28/h9,12
    ,18-19,23,25-26H,2-8,10-1
    1,13-16,22H2,1H3,(H,27,28
    )/b12-9+/t18-,19+,21+/m1/
    s1;
    ZZIKIHCNFWXKDY-GNTQXERDSA-N    		 C(CCCC\C=C\CC(C(O)C(CO)(N)C(O)=O)O)CC(CC
    CCCC)=O; CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C
    @@H]([C@@](CO)(C(=O)O)N)O)O; CCCCCCC(=O)
    CCCCCCC=CCC(C(C(CO)(C(=O)O)N)O)O; CCCCCC
    C(=O)CCCCCCC=CC[CH](O)[CH](O)[C](N)(CO)C
    (O)=O; CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[
    C@H](O)[C@@](N)(CO)C(O)=O    		 Myriocin;
    (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
    40059 VRQ 1 C23 H19 Cl N2 O3 InChI=1S/C23H19ClN2O3/c1-
    3-23(27)26(2)11-12-28-22-
    14-18(24)8-10-21(22)29-20
    -6-4-5-17-13-16(15-25)7-9
    -19(17)20/h3-10,13-14H,1,
    11-12H2,2H3;
    VMGFTWZDKNGWBB-UHFFFAOYSA-N    		 CN(CCOc1cc(ccc1Oc2cccc3c2ccc(c3)C#N)Cl)C
    (=O)C=C; CN(CCOc1cc(Cl)ccc1Oc2cccc3cc(cc
    c23)C#N)C(=O)C=C; Clc1cc(OCCN(C)C(=O)C=C
    )c(Oc2cccc3cc(C#N)ccc23)cc1    		 N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
    40060 VRR
    ZINC000001673233    		 2 C12 H17 N O2 InChI=1S/C12H17NO2/c1-2-1
    5-12(14)8-9-13-10-11-6-4-
    3-5-7-11/h3-7,13H,2,8-10H
    2,1H3;
    HCTJHQFFNDLDPF-UHFFFAOYSA-N    		 O=C(OCC)CCNCc1ccccc1; CCOC(=O)CCNCc1cccc
    c1    		 ethyl N-benzyl-beta-alaninate
    40061 VRT
    ZINC000033821446    		 9 C15 H23 N7 O4 InChI=1S/C15H23N7O4/c1-2-
    3-7(16)14(25)21-9-11(24)8
    (4-23)26-15(9)22-6-20-10-
    12(17)18-5-19-13(10)22/h5
    -9,11,15,23-24H,2-4,16H2,
    1H3,(H,21,25)(H2,17,18,19
    )/t7-,8+,9+,11+,15+/m0/s1;
    NWKNSTYARDJRIZ-IEUWZBGXSA-N    		 CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH
    ]1n2cnc3c(N)ncnc23; CCC[C@H](N)C(=O)N[C@
    @H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)n
    cnc23; CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[
    C@H]1n2cnc3c2ncnc3N)CO)O)N; CCCC(C(=O)NC
    1C(C(OC1n2cnc3c2ncnc3N)CO)O)N    		 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE
    40062 VRU 2 C23 H25 N5 O4 InChI=1S/C23H25N5O4/c1-4-
    24-23(30)22-20(31-2)10-17
    (11-21(22)32-3)28-14-25-1
    8-9-15(5-6-19(18)28)16-12
    -26-27(13-16)7-8-29/h5-6,
    9-14,29H,4,7-8H2,1-3H3,(H
    ,24,30);
    FCJGMZMSVIAAJU-UHFFFAOYSA-N    		 CCNC(=O)c1c(cc(cc1OC)n2cnc3c2ccc(c3)c4cn
    n(c4)CCO)OC; CCNC(=O)c1c(OC)cc(cc1OC)n2c
    nc3cc(ccc23)c4cnn(CCO)c4    		 ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide
    40063 VRV
    CHEMBL391586
    DB08705
    ZINC000001017885    		 1 C18 H11 Br N2 O2 InChI=1S/C18H11BrN2O2/c19
    -12-6-7-17(22)14(8-12)16-
    9-13(11-4-2-1-3-5-11)15(1
    0-20)18(23)21-16/h1-9,22H
    ,(H,21,23);
    SVSYJTYGPLVUOZ-UHFFFAOYSA-N    		 c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br
    )C#N; Oc1ccc(Br)cc1C2=CC(=C(C#N)C(=O)N2)
    c3ccccc3; N#CC2=C(C=C(c1cc(Br)ccc1O)NC2=
    O)c3ccccc3    		 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
    40064 VRW 1 C23 H19 Cl2 N3 O4 InChI=1S/C23H19Cl2N3O4/c2
    4-16-6-12(8-18(27)23(29)3
    0)7-17(25)21(16)31-11-14-
    9-15(26)10-19-20(14)32-22
    (28-19)13-4-2-1-3-5-13/h1
    -7,9-10,18H,8,11,26-27H2,
    (H,29,30)/t18-/m0/s1;
    XNRZJPQTMQZBCE-SFHVURJKSA-N    		 N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4c
    cccc4)c(Cl)c1)C(O)=O; c1ccc(cc1)c2nc3cc(
    cc(c3o2)COc4c(cc(cc4Cl)C[C@@H](C(=O)O)N)
    Cl)N; N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(
    oc23)c4ccccc4)c(Cl)c1)C(O)=O; c1ccc(cc1)
    c2nc3cc(cc(c3o2)COc4c(cc(cc4Cl)CC(C(=O)O
    )N)Cl)N    		 (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid;
    JPH203;
    KYT-0353
    40065 VRX
    CHEMBL221245
    DB08706
    ZINC000034947225    		 2 C18 H15 F N2 O4 S InChI=1S/C18H15FN2O4S/c1-
    2-12-7-8-13(25-12)9-14-16
    (22)21-18(26-14)20-15(17(
    23)24)10-3-5-11(19)6-4-10
    /h3-9,15H,2H2,1H3,(H,23,2
    4)(H,20,21,22)/b14-9-/t15
    -/m0/s1;
    RNEACARJKXYVND-MZLJFPOFSA-N    		 CCc1oc(cc1)C=C2SC(=NC2=O)N[CH](C(O)=O)c3
    ccc(F)cc3; CCc1ccc(o1)C=C2C(=O)N=C(S2)NC
    (c3ccc(cc3)F)C(=O)O; CCc1ccc(o1)\C=C/2\C
    (=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O; C
    Cc1oc(cc1)\C=C2/SC(=NC2=O)N[C@H](C(O)=O)
    c3ccc(F)cc3; O=C(O)C(NC1=NC(=O)C(\S1)=C\
    c2oc(cc2)CC)c3ccc(F)cc3    		 (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
    40066 VRY 3 C10 H10 Cl N3 O InChI=1S/C10H10ClN3O/c1-1
    5-9-3-2-8(10(11)4-9)5-14-
    7-12-6-13-14/h2-4,6-7H,5H
    2,1H3;
    PFSTZWZOSJGLKK-UHFFFAOYSA-N    		 COc1cc(Cl)c(Cn2cncn2)cc1; COc1ccc(Cn2cnc
    n2)c(Cl)c1; COc1ccc(c(c1)Cl)Cn2cncn2    		 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole
    40067 VRZ
    ZINC000095920867    		 2 C25 H26 N6 O InChI=1S/C25H26N6O/c26-23
    -22-21(15-31(20-8-4-5-9-2
    0)24(22)29-16-28-23)18-10
    -12-19(13-11-18)30-25(32)
    27-14-17-6-2-1-3-7-17/h1-
    3,6-7,10-13,15-16,20H,4-5
    ,8-9,14H2,(H2,26,28,29)(H
    2,27,30,32);
    URGKVSPXHKAWNJ-UHFFFAOYSA-N    		 Nc1ncnc2n(cc(c3ccc(NC(=O)NCc4ccccc4)cc3)
    c12)C5CCCC5; O=C(NCc1ccccc1)Nc5ccc(c3c2c
    (ncnc2n(c3)C4CCCC4)N)cc5; c1ccc(cc1)CNC(
    =O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5    		 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
    40068 VS0
    ZINC000095920836    		 2 C24 H23 N5 O InChI=1S/C24H23N5O/c25-22
    -21-20(14-29(19-8-4-5-9-1
    9)23(21)27-15-26-22)16-10
    -12-18(13-11-16)28-24(30)
    17-6-2-1-3-7-17/h1-3,6-7,
    10-15,19H,4-5,8-9H2,(H,28
    ,30)(H2,25,26,27);
    BKBPVPSOVVEBLR-UHFFFAOYSA-N    		 O=C(c1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CC
    CC4)N)cc5; c1ccc(cc1)C(=O)Nc2ccc(cc2)c3c
    n(c4c3c(ncn4)N)C5CCCC5; Nc1ncnc2n(cc(c3c
    cc(NC(=O)c4ccccc4)cc3)c12)C5CCCC5    		 N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
    40069 VS1
    ZINC000015526442    		 4 C31 H37 N3 O5 S InChI=1S/C31H37N3O5S/c35-
    30(29(24-26-12-6-2-7-13-2
    6)33-31(36)34-19-21-39-22
    -20-34)32-27(17-16-25-10-
    4-1-5-11-25)18-23-40(37,3
    8)28-14-8-3-9-15-28/h1-15
    ,27,29H,16-24H2,(H,32,35)
    (H,33,36)/t27-,29-/m0/s1;
    NNOXYPYTWAQTTO-YTMVLYRLSA-N    		 c1ccc(cc1)CCC(CCS(=O)(=O)c2ccccc2)NC(=O)
    C(Cc3ccccc3)NC(=O)N4CCOCC4; c1ccc(cc1)CC
    [C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](C
    c3ccccc3)NC(=O)N4CCOCC4; O=C(NC(C(=O)NC(
    CCc1ccccc1)CCS(=O)(=O)c2ccccc2)Cc3ccccc3
    )N4CCOCC4; O=C(N[CH](CCc1ccccc1)CC[S](=O
    )(=O)c2ccccc2)[CH](Cc3ccccc3)NC(=O)N4CCO
    CC4; O=C(N[C@@H](CCc1ccccc1)CC[S](=O)(=O
    )c2ccccc2)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4    		 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
    40070 VS2
    DB02200
    ZINC000014880256    		 1 C35 H38 N2 O5 S InChI=1S/C35H38N2O5S/c38-
    34(33(25-29-15-7-2-8-16-2
    9)37-35(39)42-26-30-17-9-
    3-10-18-30)36-32(22-21-28
    -13-5-1-6-14-28)23-24-43(
    40,41)27-31-19-11-4-12-20
    -31/h1-20,32-33H,21-27H2,
    (H,36,38)(H,37,39)/t32-,3
    3-/m0/s1;
    VXIINIMESJGNGI-LQJZCPKCSA-N    		 c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)
    NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4;
    c1ccc(cc1)CCC(CCS(=O)(=O)Cc2ccccc2)NC(=O
    )C(Cc3ccccc3)NC(=O)OCc4ccccc4; O=C(N[CH]
    (Cc1ccccc1)C(=O)N[CH](CCc2ccccc2)CC[S](=
    O)(=O)Cc3ccccc3)OCc4ccccc4; O=C(N[C@@H](
    Cc1ccccc1)C(=O)N[C@@H](CCc2ccccc2)CC[S](
    =O)(=O)Cc3ccccc3)OCc4ccccc4; O=S(=O)(Cc1
    ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3c
    cccc3)CCc4ccccc4    		 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
    40071 VS3
    DB02051
    ZINC000024531121    		 1 C34 H35 N3 O8 S InChI=1S/C34H35N3O8S/c38-
    33(32(24-27-12-6-2-7-13-2
    7)36-34(39)44-25-28-14-8-
    3-9-15-28)35-29(17-16-26-
    10-4-1-5-11-26)22-23-46(4
    2,43)45-31-20-18-30(19-21
    -31)37(40)41/h1-15,18-21,
    29,32H,16-17,22-25H2,(H,3
    5,38)(H,36,39)/t29-,32-/m
    0/s1;
    WABCRPSWXFHXDH-NYDCQLBNSA-N    		 [O-][N+](=O)c1ccc(O[S](=O)(=O)CC[C@H](CC
    c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc
    4ccccc4)cc1; [O-][N+](=O)c1ccc(O[S](=O)(
    =O)CC[CH](CCc2ccccc2)NC(=O)[CH](Cc3ccccc
    3)NC(=O)OCc4ccccc4)cc1; c1ccc(cc1)CC[C@@
    H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC
    (=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4; O=
    S(=O)(Oc1ccc(cc1)[N+]([O-])=O)CCC(NC(=O)
    C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4;
    c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccc(cc2)[N+
    ](=O)[O-])NC(=O)C(Cc3ccccc3)NC(=O)OCc4cc
    ccc4    		 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER
    40072 VS4
    DB04427
    ZINC000014881206    		 5 C33 H43 N5 O5 S InChI=1S/C33H43N5O5S/c1-3
    7-20-22-38(23-21-37)33(40
    )35-31(25-28-13-7-3-8-14-
    28)32(39)34-30(18-17-27-1
    1-5-2-6-12-27)19-24-44(41
    ,42)36-43-26-29-15-9-4-10
    -16-29/h2-16,30-31,36H,17
    -26H2,1H3,(H,34,39)(H,35,
    40)/t30-,31-/m0/s1;
    PPIYQXGSPPWVLJ-CONSDPRKSA-N    		 CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N
    [C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4
    ; CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O
    )N[C@@H](CCc3ccccc3)CC[S](=O)(=O)NOCc4cc
    ccc4; O=C(N1CCN(C)CC1)NC(C(=O)NC(CCS(=O)
    (=O)NOCc2ccccc2)CCc3ccccc3)Cc4ccccc4; CN
    1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3c
    cccc3)CCS(=O)(=O)NOCc4ccccc4; CN1CCN(CC1
    )C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCc3ccc
    cc3)CC[S](=O)(=O)NOCc4ccccc4    		 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE
    40073 VS5 1 C20 H21 F N6 O InChI=1S/C20H21FN6O/c21-1
    4-6-4-13(5-7-14)17-15-12-
    28-11-8-16(15)22-20(27-9-
    2-1-3-10-27)18(17)19-23-2
    5-26-24-19/h4-7H,1-3,8-12
    H2,(H,23,24,25,26);
    MRWSWOQTGWABSN-UHFFFAOYSA-N    		 Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1C
    CCCC1; Fc1ccc(cc1)c2c3COCCc3nc(N4CCCCC4)
    c2c5[nH]nnn5; c1cc(ccc1c2c3c(nc(c2c4[nH]
    nnn4)N5CCCCC5)CCOC3)F    		 (3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
    40074 VS7
    CHEMBL1788285
    ZINC000000404451    		 1 C11 H14 N2 InChI=1S/C11H14N2/c1-8(12
    )6-9-7-13-11-5-3-2-4-10(9
    )11/h2-5,7-8,13H,6,12H2,1
    H3/t8-/m1/s1;
    QSQQQURBVYWZKJ-MRVPVSSYSA-N    		 CC(N)Cc1c[NH]c2ccccc21; C[C@H](Cc1c[nH]c
    2c1cccc2)N; C[CH](N)Cc1c[nH]c2ccccc12; C
    [C@@H](N)Cc1c[nH]c2ccccc12; CC(Cc1c[nH]c
    2c1cccc2)N    		 (2R)-1-(1H-indol-3-yl)propan-2-amine
    40075 VS8
    CHEMBL3318922
    ZINC000222801054    		 4 C24 H25 N5 InChI=1S/C24H25N5/c25-24-
    28-22(26-18-14-8-3-9-15-1
    8)20-19(16-10-4-1-5-11-16
    )21(27-23(20)29-24)17-12-
    6-2-7-13-17/h1-2,4-7,10-1
    3,18H,3,8-9,14-15H2,(H4,2
    5,26,27,28,29);
    FPNOXHURARDDEA-UHFFFAOYSA-N    		 n1c4c(c(nc1N)NC2CCCCC2)c(c(c3ccccc3)n4)c
    5ccccc5; Nc1nc(NC2CCCCC2)c3c([nH]c(c4ccc
    cc4)c3c5ccccc5)n1; c1ccc(cc1)c2c3c([nH]c
    2c4ccccc4)nc(nc3NC5CCCCC5)N    		 N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    40076 VS9 2 C18 H25 N O3 S InChI=1S/C18H25NO3S/c1-18
    -9-2-3-17(18)16-6-4-12-11
    -13(22-23(19,20)21)5-7-14
    (12)15(16)8-10-18/h5,7,11
    ,15-17H,2-4,6,8-10H2,1H3,
    (H2,19,20,21)/t15-,16-,17
    +,18+/m1/s1;
    HNLBHJBMLWFWSC-BDXSIMOUSA-N    		 C[C@@]12CCC[C@H]1[C@@H]3CCc4cc(ccc4[C@H]
    3CC2)OS(=O)(=O)N; CC12CCCC1C3CCc4cc(ccc4
    C3CC2)OS(=O)(=O)N; C[C]12CCC[CH]1[CH]3CC
    c4cc(O[S](N)(=O)=O)ccc4[CH]3CC2; C[C@@]1
    2CCC[C@H]1[C@@H]3CCc4cc(O[S](N)(=O)=O)cc
    c4[C@H]3CC2    		 [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
    40077 VSA
    ZINC000095920873    		 2 C24 H24 N6 O InChI=1S/C24H24N6O/c25-22
    -21-20(14-30(19-8-4-5-9-1
    9)23(21)27-15-26-22)16-10
    -12-18(13-11-16)29-24(31)
    28-17-6-2-1-3-7-17/h1-3,6
    -7,10-15,19H,4-5,8-9H2,(H
    2,25,26,27)(H2,28,29,31);
    WFPSCBQARGWGBI-UHFFFAOYSA-N    		 Nc1ncnc2n(cc(c3ccc(NC(=O)Nc4ccccc4)cc3)c
    12)C5CCCC5; c1ccc(cc1)NC(=O)Nc2ccc(cc2)c
    3cn(c4c3c(ncn4)N)C5CCCC5; O=C(Nc1ccccc1)
    Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5    		 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
    40078 VSB
    CHEMBL47203
    ZINC000100377362    		 2 C29 H34 N6 O InChI=1S/C29H34N6O/c1-33-
    15-17-34(18-16-33)22-9-11
    -23(12-10-22)35-19-26(27-
    28(30)31-20-32-29(27)35)2
    1-7-13-25(14-8-21)36-24-5
    -3-2-4-6-24/h2-8,13-14,19
    -20,22-23H,9-12,15-18H2,1
    H3,(H2,30,31,32)/t22-,23+;
    FDVSOQRNTAPCHB-ZRZAMGCNSA-N    		 CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5c
    cc(cc5)Oc6ccccc6; O(c1ccccc1)c2ccc(cc2)c
    4c3c(ncnc3n(c4)C6CCC(N5CCN(CC5)C)CC6)N;
    CN1CCN(CC1)[CH]2CC[CH](CC2)n3cc(c4ccc(Oc
    5ccccc5)cc4)c6c(N)ncnc36; CN1CCN(CC1)[C@
    @H]2CC[C@@H](CC2)n3cc(c4ccc(Oc5ccccc5)cc
    4)c6c(N)ncnc36    		 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    40079 VSC
    DB04502
    ZINC000014881251    		 1 C34 H36 N2 O6 S InChI=1S/C34H36N2O6S/c37-
    33(32(25-28-15-7-2-8-16-2
    8)36-34(38)41-26-29-17-9-
    3-10-18-29)35-30(22-21-27
    -13-5-1-6-14-27)23-24-43(
    39,40)42-31-19-11-4-12-20
    -31/h1-20,30,32H,21-26H2,
    (H,35,37)(H,36,38)/t30-,3
    2-/m0/s1;
    SUGQHICXCRBQOI-CDZUIXILSA-N    		 c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccccc2)NC(=O
    )C(Cc3ccccc3)NC(=O)OCc4ccccc4; c1ccc(cc1
    )CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@
    H](Cc3ccccc3)NC(=O)OCc4ccccc4; O=C(N[C@@
    H](Cc1ccccc1)C(=O)N[C@@H](CCc2ccccc2)CC[
    S](=O)(=O)Oc3ccccc3)OCc4ccccc4; O=C(N[CH
    ](Cc1ccccc1)C(=O)N[CH](CCc2ccccc2)CC[S](
    =O)(=O)Oc3ccccc3)OCc4ccccc4; O=S(=O)(Oc1
    ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3c
    cccc3)CCc4ccccc4    		 N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER;
    WRR-204
    40080 VSD
    ZINC000056870932    		 2 C18 H37 N O2 InChI=1S/C18H37NO2/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-18(21)17(19)16-20/h
    17,20H,2-16,19H2,1H3/t17-
    /m0/s1;
    KBUNOSOGGAARKZ-KRWDZBQOSA-N    		 CCCCCCCCCCCCCCCC(=O)[C@H](CO)N; CCCCCCCC
    CCCCCCCC(=O)[CH](N)CO; CCCCCCCCCCCCCCCC(
    =O)C(CO)N; CCCCCCCCCCCCCCCC(=O)[C@@H](N)
    CO; C(C(C(N)CO)=O)CCCCCCCCCCCCCC    		 3-Dehydrosphinganine;
    (2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one
    40081 VSE
    CHEMBL45177
    ZINC000100798339    		 8 C29 H34 N6 O InChI=1S/C29H34N6O/c1-33-
    15-17-34(18-16-33)22-9-11
    -23(12-10-22)35-19-26(27-
    28(30)31-20-32-29(27)35)2
    1-7-13-25(14-8-21)36-24-5
    -3-2-4-6-24/h2-8,13-14,19
    -20,22-23H,9-12,15-18H2,1
    H3,(H2,30,31,32)/t22-,23-;
    FDVSOQRNTAPCHB-YHBQERECSA-N    		 CN1CCN(CC1)[C@@H]2CC[C@H](CC2)n3cc(c4ccc
    (Oc5ccccc5)cc4)c6c(N)ncnc36; CN1CCN(CC1)
    C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6c
    cccc6; O(c1ccccc1)c2ccc(cc2)c4c3c(ncnc3n
    (c4)C6CCC(N5CCN(CC5)C)CC6)N; CN1CCN(CC1)
    [CH]2CC[CH](CC2)n3cc(c4ccc(Oc5ccccc5)cc4
    )c6c(N)ncnc36    		 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    40082 VSF
    CHEMBL296103
    ZINC000008582026    		 2 C23 H22 N4 O2 InChI=1S/C23H22N4O2/c24-2
    2-21-20(14-27(23(21)26-15
    -25-22)17-10-12-28-13-11-
    17)16-6-8-19(9-7-16)29-18
    -4-2-1-3-5-18/h1-9,14-15,
    17H,10-13H2,(H2,24,25,26);
    BCWVVERKADMJGG-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C
    5CCOCC5; O(c1ccccc1)c5ccc(c2cn(c3ncnc(N)
    c23)C4CCOCC4)cc5; Nc1ncnc2n(cc(c3ccc(Oc4
    ccccc4)cc3)c12)C5CCOCC5    		 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    40083 VSG
    ZINC000095921416    		 2 C24 H25 N5 O InChI=1S/C24H25N5O/c1-28-
    13-11-18(12-14-28)29-15-2
    1(22-23(25)26-16-27-24(22
    )29)17-7-9-20(10-8-17)30-
    19-5-3-2-4-6-19/h2-10,15-
    16,18H,11-14H2,1H3,(H2,25
    ,26,27);
    BECDNGLTIXKWON-UHFFFAOYSA-N    		 O(c1ccccc1)c2ccc(cc2)c4cn(c3ncnc(N)c34)C
    5CCN(C)CC5; CN1CCC(CC1)n2cc(c3c2ncnc3N)c
    4ccc(cc4)Oc5ccccc5; CN1CCC(CC1)n2cc(c3cc
    c(Oc4ccccc4)cc3)c5c(N)ncnc25    		 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    40084 VSH
    CHEMBL1241481
    ZINC000008581989    		 2 C20 H26 N6 O3 InChI=1S/C20H26N6O3/c1-11
    (2)26-18-15(17(21)22-10-2
    3-18)16(25-26)12-7-8-13(1
    4(9-12)28-6)24-19(27)29-2
    0(3,4)5/h7-11H,1-6H3,(H,2
    4,27)(H2,21,22,23);
    LVOBTCONHRNJJA-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C
    )(C)C)c(ncn2)N; COc1cc(ccc1NC(=O)OC(C)(C
    )C)c2nn(C(C)C)c3ncnc(N)c23; O=C(OC(C)(C)
    C)Nc3ccc(c2nn(c1ncnc(c12)N)C(C)C)cc3OC    		 tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
    40085 VSI
    CHEMBL5270666
    ZINC000095920504    		 1 C21 H18 Cl2 N6 O2 InChI=1S/C21H18Cl2N6O2/c1
    -12(30)27-20-16(22)6-14(7
    -17(20)23)10-26-21(25)28-
    19(31)11-29-5-4-15-3-2-13
    (9-24)8-18(15)29/h2-8H,10
    -11H2,1H3,(H,27,30)(H3,25
    ,26,28,31);
    QNSBKNRQYCQXMO-UHFFFAOYSA-N    		 Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[N@H])NC(=O)
    Cn3c2cc(C#N)ccc2cc3; CC(=O)Nc1c(Cl)cc(CN
    C(=N)NC(=O)Cn2ccc3ccc(cc23)C#N)cc1Cl; CC
    (=O)Nc1c(cc(cc1Cl)CNC(=N)NC(=O)Cn2ccc3c2
    cc(cc3)C#N)Cl; [H]/N=C(\NCc1cc(c(c(c1)Cl
    )NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N    		 N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide
    40086 VSK 1 C22 H27 N3 O InChI=1S/C22H27N3O/c1-14-
    10-15(2)18(16(3)11-14)8-9
    -24-22(26)20(23)12-17-13-
    25-21-7-5-4-6-19(17)21/h4
    -7,10-11,13,20,25H,8-9,12
    ,23H2,1-3H3,(H,24,26)/t20
    -/m0/s1;
    BQKLGIPTHQLBPK-FQEVSTJZSA-N    		 Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c
    2cccc3)N)C; Cc1cc(C)c(CCNC(=O)[C@@H](N)C
    c2c[nH]c3ccccc23)c(C)c1; Cc1cc(C)c(CCNC(
    =O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1; Cc1c
    c(c(c(c1)C)CCNC(=O)C(Cc2c[nH]c3c2cccc3)N
    )C    		 (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;
    VSK-B24
    40087 VSL
    ZINC000072209769    		 1 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c1-13-
    9(12)8-6-4-2-3-5-7(6)10-1
    1-8/h2-5H2,1H3,(H,10,11);
    FCGHXNFPSZTBIQ-UHFFFAOYSA-N    		 COC(=O)c1[nH]nc2CCCCc12; COC(=O)c1c2c(n[
    nH]1)CCCC2; O=C(OC)c1[NH]nc2CCCCc12    		 methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate
    40088 VSM 1 C19 H29 N O4 S InChI=1S/C19H29NO4S/c1-18
    -8-7-17-15(5-3-12-9-13(21
    )10-19(12,17)2)16(18)6-4-
    14(11-18)24-25(20,22)23/h
    12,14,17H,3-11H2,1-2H3,(H
    2,20,22,23)/t12-,14+,17-,
    18+,19-/m1/s1;
    DJFIEPZQLUEUTN-ZOLDJLEQSA-N    		 CC12CCC3C(=C1CCC(C2)OS(=O)(=O)N)CCC4C3(C
    C(=O)C4)C; C[C@@]12CC[C@@H]3C(=C1CC[C@@H
    ](C2)OS(=O)(=O)N)CC[C@H]4[C@]3(CC(=O)C4)
    C; C[C@@]12CC[C@@H]3C(=C1CC[C@@H](C2)O[S
    ](N)(=O)=O)CC[C@@H]4CC(=O)C[C@@]34C; C[C
    ]12CC[CH]3C(=C1CC[CH](C2)O[S](N)(=O)=O)C
    C[CH]4CC(=O)C[C]34C    		 [(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
    40089 VSN 3 C10 H15 N5 O10 P2 S InChI=1S/C10H15N5O10P2S/c
    11-10-13-7-4(8(18)14-10)1
    2-2-15(7)9-6(17)5(16)3(24
    -9)1-23-26(19,20)25-27(21
    ,22)28/h2-3,5-6,9,16-17H,
    1H2,(H,19,20)(H2,21,22,28
    )(H3,11,13,14,18)/t3-,5-,
    6-,9-/m1/s1;
    QJXJXBXFIOTYHB-UUOKFMHZSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O; c1
    nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(
    =O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N; OP(O)(
    =S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C
    (O)C1O; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP
    (=S)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C
    (=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)
    =S)[CH](O)[CH]3O    		 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine
    40090 VSO
    CHEMBL1236690
    DB04359
    ZINC000004216798    		 1 C2 H4 O3 S InChI=1S/C2H4O3S/c1-2-6(3
    ,4)5/h2H,1H2,(H,3,4,5);
    NLVXSWCKKBEXTG-UHFFFAOYSA-N    		 O[S](=O)(=O)C=C; C=CS(=O)(=O)O; O=S(=O)(
    O)\C=C    		 VINYLSULPHONIC ACID
    40091 VSP
    CHEMBL3907668
    ZINC000095921263    		 2 C17 H22 N6 O2 S InChI=1S/C17H22N6O2S/c1-4
    -26(24,25)22-13-7-5-6-12(
    8-13)9-14-15-16(18)19-10-
    20-17(15)23(21-14)11(2)3/
    h5-8,10-11,22H,4,9H2,1-3H
    3,(H2,18,19,20);
    CZDNNNYBOADUFI-UHFFFAOYSA-N    		 O=S(=O)(Nc1cccc(c1)Cc3nn(c2ncnc(c23)N)C(
    C)C)CC; CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncn
    c3n(n2)C(C)C)N; CC[S](=O)(=O)Nc1cccc(Cc2
    nn(C(C)C)c3ncnc(N)c23)c1    		 N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide
    40092 VSQ
    ZINC000009322539    		 1 C8 H10 N2 O InChI=1S/C8H10N2O/c9-8(11
    )6-10-7-4-2-1-3-5-7/h1-5,
    10H,6H2,(H2,9,11);
    GXBRYTMUEZNYJT-UHFFFAOYSA-N    		 NC(=O)CNc1ccccc1; c1ccc(cc1)NCC(=O)N N~2~-phenylglycinamide
    40093 VSR 1 C48 H62 N2 O12 InChI=1S/C48H62N2O12/c1-8
    -10-11-12-18-24-38(53)59-
    42-40-39(31(4)41(42)60-44
    (54)30(3)9-2)43-48(57,47(
    7,56)45(55)61-43)36(29-46
    (40,6)62-32(5)51)58-37(52
    )23-19-13-15-20-33-25-27-
    35(28-26-33)50-49-34-21-1
    6-14-17-22-34/h9,14,16-17
    ,21-22,25-28,36,40-43,56-
    57H,8,10-13,15,18-20,23-2
    4,29H2,1-7H3/b30-9-,50-49
    +/t36-,40+,41-,42-,43-,46
    -,47+,48+/m0/s1;
    DZFGRNCYNKCTIQ-YTQZFJLWSA-N    		 CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(C)=C
    /C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O
    )[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)C
    CCCCc4ccc(cc4)N=Nc5ccccc5)C; CCCCCCCC(=O
    )O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)
    /C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O
    C(=O)CCCCCc4ccc(cc4)/N=N/c5ccccc5)([C@](
    C(=O)O3)(C)O)O; CCCCCCCC(=O)O[CH]1[CH](O
    C(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C
    ]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)C
    CCCCc4ccc(cc4)N=Nc5ccccc5)C; CCCCCCCC(=O
    )OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C
    )OC(=O)C)OC(=O)CCCCCc4ccc(cc4)N=Nc5ccccc
    5)(C(C(=O)O3)(C)O)O    		 [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(E)-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate;
    photoswitch-thapsigargin derivative AzTG-6
    40094 VST 1 C10 H10 F N O3 S InChI=1S/C10H10FNO3S/c1-1
    5-12-9-4-5-16(13,14)10-3-
    2-7(11)6-8(9)10/h2-3,6H,4
    -5H2,1H3/b12-9-;
    DVTCQRPNMVTBIK-XFXZXTDPSA-N    		 CON=C1CC[S](=O)(=O)c2ccc(F)cc12; CON=C1C
    CS(=O)(=O)c2c1cc(cc2)F; CO/N=C\1/CCS(=O)
    (=O)c2c1cc(cc2)F; Fc1ccc2c(c1)C(/CCS2(=O
    )=O)=N\OC; CO\N=C/1CC[S](=O)(=O)c2ccc(F)
    cc/12    		 (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
    40095 VSU 1 C24 H30 N3 O13 V3 InChI=1S/3C8H11NO2.H2O.6O
    .3V/c3*1-3-6-8(11)7(10)4-
    5-9(6)2;;;;;;;;;;/h3*4-5,
    11H,3H2,1-2H3;1H2;;;;;;;;
    ;/q;;;;;;;;;;2*+5;+6/p-3;
    LBUGGDQMXYMIIZ-UHFFFAOYSA-K    		 O.CCC1=C2O[V+5]3(=O)(O[V+5]4(=O)O[V+5]5(
    =O)(OC6=C(CC)N(C)C=CC6=[O-]5)(O3)[O]4=C7
    C=C[N+](C)C(=C7[O-])CC)[O-]=C2C=CN1C; CC
    C1=C2C(=[O-][V+5]3(=O)(O2)O[V+5]45(=O)([
    O-]C6=C([N+](C=CC6=O4[V+5]7(=O)(O3)(O5)[
    O-]=C8C=CN(C(=C8O7)CC)C)C)CC)[O])C=CN1C    		 tris-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(V)3O7
    40096 VSV
    CHEMBL1236691
    ZINC000058655684    		 1 C23 H21 N3 O7 S InChI=1S/C23H21N3O7S/c27-
    19(28)9-8-17(22(31)32)25-
    20(29)15-3-1-2-14(10-15)1
    2-24-16-6-4-13(5-7-16)11-
    18-21(30)26-23(33)34-18/h
    1-7,10-11,17,24H,8-9,12H2
    ,(H,25,29)(H,27,28)(H,31,
    32)(H,26,30,33)/b18-11-/t
    17-/m1/s1;
    YITBSJALJWUAQA-LVSMMTLPSA-N    		 c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)C
    Nc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3; c1cc(cc
    (c1)C(=O)NC(CCC(=O)O)C(=O)O)CNc2ccc(cc2)
    C=C3C(=O)NC(=O)S3; OC(=O)CC[C@@H](NC(=O)
    c1cccc(CNc2ccc(cc2)\C=C3/SC(=O)NC3=O)c1)
    C(O)=O; O=C1C(\SC(=O)N1)=C\c3ccc(NCc2cc(
    C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3; OC(=O)
    CC[CH](NC(=O)c1cccc(CNc2ccc(cc2)C=C3SC(=
    O)NC3=O)c1)C(O)=O    		 N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID
    40097 VSX
    ZINC000022141924    		 3 C8 H9 Cl N2 O InChI=1S/C8H9ClN2O/c1-5(1
    2)11-8-4-6(9)2-3-7(8)10/h
    2-4H,10H2,1H3,(H,11,12);
    IYTMUKDCYMGZDQ-UHFFFAOYSA-N    		 Nc1ccc(Cl)cc1NC(C)=O; CC(=O)Nc1cc(Cl)ccc
    1N; CC(=O)Nc1cc(ccc1N)Cl    		 N-(2-amino-5-chlorophenyl)acetamide
    40098 VSY
    CHEMBL5273263    		 2 C16 H16 N6 O InChI=1S/C16H16N6O/c1-3-1
    6(2,23)6-4-12-8-13-11(9-1
    9-12)10-20-22(13)14-5-7-1
    8-15(17)21-14/h5,7-10,23H
    ,3H2,1-2H3,(H2,17,18,21)/
    t16-/m0/s1;
    WZLQQYUWMGFXDE-INIZCTEOSA-N    		 CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N
    )O; CCC(C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N
    )O; CC[C](C)(O)C#Cc1cc2n(ncc2cn1)c3ccnc(
    N)n3; Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn
    2)n3; CC[C@](C)(O)C#Cc1cc2n(ncc2cn1)c3cc
    nc(N)n3    		 (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol
    40099 VSZ 76 C18 H32 N2 O6 InChI=1S/C18H32N2O6/c1-7-
    11(6)14(18(25)26)20-16(23
    )13(10(4)5)19-17(24)15(22
    )12(8-21)9(2)3/h8-15,22H,
    7H2,1-6H3,(H,19,24)(H,20,
    23)(H,25,26)/t11-,12-,13-
    ,14-,15+/m0/s1;
    NPCIMWWVLQVJPA-YYFQZIEXSA-N    		 CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C
    =O)C(C)C)O; CC[CH](C)[CH](NC(=O)[CH](NC(
    =O)[CH](O)[CH](C=O)C(C)C)C(C)C)C(O)=O; C
    C[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C
    )NC(=O)[C@@H]([C@@H](C=O)C(C)C)O; CC[C@H
    ](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@
    @H](C=O)C(C)C)C(C)C)C(O)=O    		 Cystargolide A (bound);
    (2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid
    40100 VT0
    CHEMBL2347859
    ZINC000095605320    		 1 C13 H13 N3 O6 P2 S InChI=1S/C13H13N3O6P2S/c1
    7-23(18,19)13(24(20,21)22
    )16-11-9-6-7-25-12(9)15-1
    0(14-11)8-4-2-1-3-5-8/h1-
    7,13H,(H,14,15,16)(H2,17,
    18,19)(H2,20,21,22);
    OVNNLIKSDUSVRR-UHFFFAOYSA-N    		 c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(
    =O)(O)O; O[P](O)(=O)C(Nc1nc(nc2sccc12)c3
    ccccc3)[P](O)(O)=O; O=P(O)(O)C(P(=O)(O)O
    )Nc1nc(nc2c1ccs2)c3ccccc3    		 {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
    40101 VT1
    CHEMBL3311228
    DB13055
    ZINC000167574450    		 10 C23 H16 F7 N5 O2 InChI=1S/C23H16F7N5O2/c24
    -16-4-7-18(19(25)9-16)21(
    36,11-35-13-32-33-34-35)2
    3(29,30)20-8-3-15(10-31-2
    0)14-1-5-17(6-2-14)37-12-
    22(26,27)28/h1-10,13,36H,
    11-12H2/t21-/m0/s1;
    IDUYJRXRDSPPRC-NRFANRHFSA-N    		 O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3c
    cc(cn3)c4ccc(OCC(F)(F)F)cc4; c1cc(ccc1c2
    ccc(nc2)C(C(Cn3cnnn3)(c4ccc(cc4F)F)O)(F)
    F)OCC(F)(F)F; O[C](Cn1cnnn1)(c2ccc(F)cc2
    F)C(F)(F)c3ccc(cn3)c4ccc(OCC(F)(F)F)cc4;
    c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4c
    cc(cc4F)F)O)(F)F)OCC(F)(F)F; FC(F)(F)COc
    1ccc(cc1)c2ccc(nc2)C(F)(F)C(O)(c3ccc(F)c
    c3F)Cn4nnnc4    		 (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
    40102 VT2 1 C31 H22 F4 N6 O2 InChI=1S/C31H22F4N6O2/c32
    -25-10-13-27(28(33)15-25)
    30(42,19-41-20-38-39-40-4
    1)31(34,35)29-14-9-23(17-
    37-29)4-1-21-7-11-26(12-8
    -21)43-18-24-5-2-22(16-36
    )3-6-24/h1-15,17,20,42H,1
    8-19H2/t30-/m0/s1;
    CHNOUXLXTKTWQU-PMERELPUSA-N    		 O[C](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc
    (C=Cc4ccc(OCc5ccc(cc5)C#N)cc4)cn3; O[C@@
    ](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(/C
    =C/c4ccc(OCc5ccc(cc5)C#N)cc4)cn3; c1cc(c
    cc1COc2ccc(cc2)C=Cc3ccc(nc3)C(C(Cn4cnnn4
    )(c5ccc(cc5F)F)O)(F)F)C#N; c1cc(ccc1COc2
    ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5
    ccc(cc5F)F)O)(F)F)C#N    		 (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile
    40103 VT3
    CHEMBL3827272
    ZINC000045817619    		 2 C15 H12 N2 O2 InChI=1S/C15H12N2O2/c1-9-
    5-7-10(8-6-9)14-16-13-11(
    15(19)17-14)3-2-4-12(13)1
    8/h2-8,18H,1H3,(H,16,17,1
    9);
    MCCQXQRJNJXHRG-UHFFFAOYSA-N    		 Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2; Cc1cc
    c(cc1)C2=Nc3c(O)cccc3C(=O)N2    		 8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
    40104 VT4
    ZINC000098209540    		 2 C19 H25 N O2 InChI=1S/C19H25NO2/c1-4-5
    -6-7-11-16-13-17(21)19(14
    -20(16)3)22-18-12-9-8-10-
    15(18)2/h8-10,12-14H,4-7,
    11H2,1-3H3;
    UMFLEDWOPZCDDL-UHFFFAOYSA-N    		 O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC; CCCCC
    CC1=CC(=O)C(=CN1C)Oc2ccccc2C    		 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one
    40105 VT5
    CHEMBL4519152
    ZINC000003952070    		 1 C18 H19 Cl F N O3 InChI=1S/C18H19ClFNO3/c1-
    10(22)15-16(11-5-3-2-4-6-
    11)21(18(24)17(15)23)14-8
    -7-12(19)9-13(14)20/h7-9,
    11,16,23H,2-6H2,1H3/t16-/
    m1/s1;
    VQNLJXWZGVRLBA-MRXNPFEDSA-N    		 CC(=O)C1=C(O)C(=O)N([C@@H]1C2CCCCC2)c3cc
    c(Cl)cc3F; CC(=O)C1=C(C(=O)N(C1C2CCCCC2)
    c3ccc(cc3F)Cl)O; CC(=O)C1=C(C(=O)N([C@@H
    ]1C2CCCCC2)c3ccc(cc3F)Cl)O; CC(=O)C1=C(O
    )C(=O)N([CH]1C2CCCCC2)c3ccc(Cl)cc3F    		 (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one
    40106 VT6 1 C11 H17 Cl F N2 O13 P3 InChI=1S/C11H17ClFN2O13P3
    /c1-5-3-15(10(18)14-9(5)1
    7)8-2-6(16)7(27-8)4-26-31
    (24,25)28-30(22,23)11(12,
    13)29(19,20)21/h3,6-8,16H
    ,2,4H2,1H3,(H,22,23)(H,24
    ,25)(H,14,17,18)(H2,19,20
    ,21)/t6-,7+,8+,11+/m0/s1;
    WBEGMIDCSWALNY-PRKAOEEVSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP
    (=O)(C(F)(P(=O)(O)O)Cl)O)O; CC1=CN([CH]2
    C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[C](
    F)(Cl)[P](O)(O)=O)O2)C(=O)NC1=O; CC1=CN(
    C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O
    )(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O; CC1
    =CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[
    P](O)(=O)[C@@](F)(Cl)[P](O)(O)=O)O2)C(=O
    )NC1=O; O=C1C(C)=CN(C(N1)=O)C2OC(C(C2)O)
    COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)F)=O    		 5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
    40107 VT7 1 C11 H17 F2 N2 O13 P3 InChI=1S/C11H17F2N2O13P3/
    c1-5-3-15(10(18)14-9(5)17
    )8-2-6(16)7(27-8)4-26-31(
    24,25)28-30(22,23)11(12,1
    3)29(19,20)21/h3,6-8,16H,
    2,4H2,1H3,(H,22,23)(H,24,
    25)(H,14,17,18)(H2,19,20,
    21)/t6-,7+,8+/m0/s1;
    PZJVGXNXDJKXPK-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP
    (=O)(C(F)(F)P(=O)(O)O)O)O; CC1=CN([CH]2C
    [CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(
    F)[P](O)(O)=O)O2)C(=O)NC1=O; O=C1C(C)=CN
    (C(N1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F
    )(P(O)(O)=O)F)=O; CC1=CN(C(=O)NC1=O)[C@H
    ]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)
    (F)P(=O)(O)O)O)O; CC1=CN([C@H]2C[C@H](O)
    [C@@H](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[P]
    (O)(O)=O)O2)C(=O)NC1=O    		 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
    40108 VT8 1 C11 H17 Cl2 N2 O13 P3 InChI=1S/C11H17Cl2N2O13P3
    /c1-5-3-15(10(18)14-9(5)1
    7)8-2-6(16)7(27-8)4-26-31
    (24,25)28-30(22,23)11(12,
    13)29(19,20)21/h3,6-8,16H
    ,2,4H2,1H3,(H,22,23)(H,24
    ,25)(H,14,17,18)(H2,19,20
    ,21)/t6-,7+,8+/m0/s1;
    SHEBHODIZXGBLE-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
    ; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)
    OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O; N1(C=C(C(
    NC1=O)=O)C)C2OC(C(C2)O)COP(=O)(O)OP(O)(C
    (P(O)(O)=O)(Cl)Cl)=O; CC1=CN([CH]2C[CH](
    O)[CH](CO[P](O)(=O)O[P](O)(=O)C(Cl)(Cl)[
    P](O)(O)=O)O2)C(=O)NC1=O; CC1=CN([C@H]2C
    [C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)C(
    Cl)(Cl)[P](O)(O)=O)O2)C(=O)NC1=O    		 5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
    40109 VTA 1 C20 H15 F2 N3 O InChI=1S/C20H15F2N3O/c1-1
    1-6-18(25-24-11)16-7-12(1
    0-23)2-5-19(16)26-20-9-15
    (20)14-4-3-13(21)8-17(14)
    22/h2-8,15,20H,9H2,1H3,(H
    ,24,25)/t15-,20-/m1/s1;
    QPKQDLGTZJBNKZ-FOIQADDNSA-N    		 Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4
    ccc(cc4F)F)C#N; c4(c1cc(C#N)ccc1OC2CC2c3
    ccc(cc3F)F)cc(C)nn4; Cc1[nH]nc(c1)c2cc(c
    cc2O[CH]3C[CH]3c4ccc(F)cc4F)C#N; Cc1[nH]
    nc(c1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(F)c
    c4F)C#N; Cc1cc(n[nH]1)c2cc(ccc2OC3CC3c4c
    cc(cc4F)F)C#N    		 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile
    40110 VTB
    ZINC000015273183    		 1 C7 H15 O10 P InChI=1S/C7H15O10P/c8-2-7
    (12)6(11)5(10)4(9)3(17-7)
    1-16-18(13,14)15/h3-6,8-1
    2H,1-2H2,(H2,13,14,15)/t3
    -,4+,5+,6-,7+/m0/s1;
    CBIDVWSRUUODHL-CXNFULCWSA-N    		 OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]
    (O)[CH]1O; C(C1C(C(C(C(O1)(CO)O)O)O)O)OP
    (=O)(O)O; OC[C@@]1(O)O[C@@H](CO[P](O)(O)
    =O)[C@@H](O)[C@@H](O)[C@@H]1O; C([C@H]1[
    C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP
    (=O)(O)O    		 7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose;
    [(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate;
    7-O-phosphono-alpha-L-galacto-hept-2-ulose;
    7-O-phosphono-L-galacto-hept-2-ulose;
    7-O-phosphono-galacto-hept-2-ulose
    40111 VTC
    ZINC000000105880    		 3 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c1-11(
    2)9(12)13-8-5-3-4-7(10)6-
    8/h3-6H,10H2,1-2H3;
    LKEQZFMJKLCAEA-UHFFFAOYSA-N    		 CN(C)C(=O)Oc1cccc(N)c1; CN(C)C(=O)Oc1ccc
    c(c1)N; O=C(Oc1cccc(N)c1)N(C)C    		 3-aminophenyl dimethylcarbamate
    40112 VTD 1 C10 H9 Cl N2 InChI=1S/C10H9ClN2/c1-7-5
    -10(13-12-7)8-3-2-4-9(11)
    6-8/h2-6H,1H3,(H,12,13);
    KOMMMAVILXYEJR-UHFFFAOYSA-N    		 Cc1[nH]nc(c1)c2cccc(Cl)c2; Cc1cc(n[nH]1)
    c2cccc(c2)Cl; c1(cc(C)nn1)c2cc(ccc2)Cl    		 3-(3-chlorophenyl)-5-methyl-1H-pyrazole
    40113 VTE 0 C22 H22 N2 O6 InChI=1S/C22H22N2O6/c25-1
    6-10-15(11-17(26)21(16)28
    )20(27)19-12-14-9-13(3-4-
    18(14)30-19)22(29)23-5-8-
    24-6-1-2-7-24/h3-4,9-12,2
    5-26,28H,1-2,5-8H2,(H,23,
    29);
    FQUBMOYVKLVEKR-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)NCCN3CCCC3)cc(o2)C(=O)c4c
    c(c(c(c4)O)O)O; Oc1cc(cc(O)c1O)C(=O)c2oc
    3ccc(cc3c2)C(=O)NCCN4CCCC4    		 ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
    40114 VTF 1 C25 H27 N7 O5 S2 InChI=1S/C25H27N7O5S2/c1-
    18-16-20(17-26)29-25(27-1
    8)31-12-14-32(15-13-31)39
    (36,37)21-10-8-19(9-11-21
    )28-24(33)22-6-4-5-7-23(2
    2)30(2)38(3,34)35/h4-11,1
    6H,12-15H2,1-3H3,(H,28,33
    );
    GYNDUARBATVDGK-UHFFFAOYSA-N    		 CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3
    CCN(CC3)c4nc(C)cc(n4)C#N)[S](C)(=O)=O; C
    c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)
    NC(=O)c4ccccc4N(C)S(=O)(=O)C)C#N    		 ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
    40115 VTG
    CHEMBL90100
    ZINC000000896402    		 4 C8 H10 O InChI=1S/C8H10O/c1-7-2-4-
    8(6-9)5-3-7/h2-5,9H,6H2,1
    H3;
    KMTDMTZBNYGUNX-UHFFFAOYSA-N    		 c1(ccc(cc1)C)CO; Cc1ccc(CO)cc1; Cc1ccc(c
    c1)CO    		 (4-methylphenyl)methanol;
    4-methylbenzyl alcohol
    40116 VTH
    ZINC000001744435    		 1 C8 H6 N2 O3 InChI=1S/C8H6N2O3/c1-13-7
    -3-2-6(5-9)8(4-7)10(11)12
    /h2-4H,1H3;
    UUYPUFCWSUBTFP-UHFFFAOYSA-N    		 COc1ccc(C#N)c(c1)[N](=O)=O; COc1ccc(c(c1
    )N(=O)=O)C#N; COc1ccc(C#N)c(c1)N(=O)=O    		 4-methoxy-2-nitrobenzonitrile
    40117 VTI
    ZINC000095920505    		 1 C20 H19 Cl2 N5 O2 InChI=1S/C20H19Cl2N5O2/c1
    -12(28)25-19-15(21)8-13(9
    -16(19)22)10-24-20(23)26-
    18(29)11-27-7-6-14-4-2-3-
    5-17(14)27/h2-9H,10-11H2,
    1H3,(H,25,28)(H3,23,24,26
    ,29);
    PTYGSLKLIDGJBA-UHFFFAOYSA-N    		 CC(=O)Nc1c(cc(cc1Cl)CNC(=N)NC(=O)Cn2ccc3
    c2cccc3)Cl; Clc1cc(cc(Cl)c1NC(=O)C)CNC(=
    [N@H])NC(=O)Cn3c2ccccc2cc3; [H]/N=C(\NCc
    1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c
    2cccc3; CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)Cn
    2ccc3ccccc23)cc1Cl    		 N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide
    40118 VTJ 17 C29 H30 N2 O3 S InChI=1S/C29H30N2O3S/c1-3
    5(33,34)26-12-6-11-25-27(
    26)23-10-5-7-21-14-13-20(
    17-24(21)28(23)30-25)18-3
    1-16-15-29(32,19-31)22-8-
    3-2-4-9-22/h2-4,6,8-9,11-
    14,17,30,32H,5,7,10,15-16
    ,18-19H2,1H3/t29-/m1/s1;
    DQCBLCPTXXGKPW-GDLZYMKVSA-N    		 CS(=O)(=O)c1cccc2c1c3c([nH]2)-c4cc(ccc4C
    CC3)CN5CCC(C5)(c6ccccc6)O; C[S](=O)(=O)c
    1cccc2[nH]c3c(CCCc4ccc(CN5CC[C](O)(C5)c6
    ccccc6)cc34)c12; CS(=O)(=O)c1cccc2c1c3c(
    [nH]2)-c4cc(ccc4CCC3)CN5CC[C@@](C5)(c6cc
    ccc6)O; C[S](=O)(=O)c1cccc2[nH]c3c(CCCc4
    ccc(CN5CC[C@@](O)(C5)c6ccccc6)cc34)c12    		 compound
    40119 VTK 1 C20 H25 N3 O5 S2 InChI=1S/C20H25N3O5S2/c1-
    22(29(2,25)26)19-9-5-4-8-
    18(19)20(24)21-16-10-12-1
    7(13-11-16)30(27,28)23-14
    -6-3-7-15-23/h4-5,8-13H,3
    ,6-7,14-15H2,1-2H3,(H,21,
    24);
    WMMQKHOYQUOGHM-UHFFFAOYSA-N    		 CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3
    CCCCC3)[S](C)(=O)=O; CN(c1ccccc1C(=O)Nc2
    ccc(cc2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C    		 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide
    40120 VTL
    CHEMBL3747068
    ZINC000000388293    		 2 C9 H12 O3 InChI=1S/C9H12O3/c1-12-9-
    6-7(4-5-10)2-3-8(9)11/h2-
    3,6,10-11H,4-5H2,1H3;
    XHUBSJRBOQIZNI-UHFFFAOYSA-N    		 COc1cc(ccc1O)CCO; COc1cc(CCO)ccc1O; Oc1c
    cc(cc1OC)CCO    		 4-(2-hydroxyethyl)-2-methoxyphenol
    40121 VTM 2 C22 H25 F3 N5 O3 P S InChI=1S/C22H25F3N5O3PS/c
    1-34(31,32)33-12-13-3-4-1
    9(35-2)18(5-13)28-21-16(7
    -26)17(22(23,24)25)6-20(2
    9-21)30-10-14-8-27-9-15(1
    4)11-30/h3-6,14-15,27H,8-
    12H2,1-2H3,(H,28,29)(H,31
    ,32)/t14-,15+;
    NSLCTDAHCNFOEO-GASCZTMLSA-N    		 CP(=O)(O)OCc1ccc(c(c1)Nc2c(c(cc(n2)N3CC4
    CNCC4C3)C(F)(F)F)C#N)SC; CSc1ccc(CO[P](C
    )(O)=O)cc1Nc2nc(cc(c2C#N)C(F)(F)F)N3C[C@
    @H]4CNC[C@@H]4C3; CP(=O)(O)OCc1ccc(c(c1)
    Nc2c(c(cc(n2)N3C[C@H]4CNC[C@H]4C3)C(F)(F
    )F)C#N)SC; CSc1ccc(CO[P](C)(O)=O)cc1Nc2n
    c(cc(c2C#N)C(F)(F)F)N3C[CH]4CNC[CH]4C3    		 [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid
    40122 VTN 1 C18 H14 Cl2 N2 O2 InChI=1S/C18H14Cl2N2O2/c1
    -2-18(23)22-6-5-12-3-4-16
    (20)17(9-12)24-15-8-13(11
    -21)7-14(19)10-15/h2-4,7-
    10H,1,5-6H2,(H,22,23);
    NTQXELUQORLKIR-UHFFFAOYSA-N    		 Clc1cc(Oc2cc(CCNC(=O)C=C)ccc2Cl)cc(c1)C#
    N; Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O
    )C=C; C=CC(=O)NCCc1ccc(c(c1)Oc2cc(cc(c2)
    Cl)C#N)Cl    		 N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide
    40123 VTO
    ZINC000019735565    		 1 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c1-2-1
    2-8(11)6-3-4-10-7(9)5-6/h
    3-5H,2H2,1H3,(H2,9,10);
    XVBZFXZNJAFCHL-UHFFFAOYSA-N    		 Nc1cc(ccn1)C(=O)OCC; CCOC(=O)c1ccnc(c1)N
    ; CCOC(=O)c1ccnc(N)c1    		 ethyl 2-aminopyridine-4-carboxylate
    40124 VTP
    ZINC000062227961    		 1 C40 H68 O7 P2 InChI=1S/C40H68O7P2/c1-33
    (2)17-10-18-34(3)19-11-20
    -35(4)21-12-22-36(5)23-13
    -24-37(6)25-14-26-38(7)27
    -15-28-39(8)29-16-30-40(9
    )31-32-46-49(44,45)47-48(
    41,42)43/h17,19,21,23,25,
    27,29,31H,10-16,18,20,22,
    24,26,28,30,32H2,1-9H3,(H
    ,44,45)(H2,41,42,43)/b34-
    19+,35-21+,36-23-,37-25-,
    38-27-,39-29-,40-31-;
    IKKLDISSULFFQO-MXWMMQQISA-N    		 CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(\C)=C/CCC
    (\C)=C/CCC(/C)=C\CCC(/C)=C\CCC(/C)=C\CO[
    P](O)(=O)O[P](O)(O)=O; CC(=CCCC(=CCCC(=C
    CCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)
    OP(=O)(O)O)C)C)C)C)C)C)C)C; CC(C)=CCCC(C
    )=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C
    )=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O; CC(
    =CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=
    C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O
    )O)/C)/C)/C)/C)/C)/C)/C)C; O=P(O)(O)OP(=
    O)(OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(
    /C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)C)O    		 (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
    40125 VTQ
    CHEMBL1223852
    DB14094
    ZINC000008214693    		 8 C29 H50 O3 InChI=1S/C29H50O3/c1-20(2
    )12-9-13-21(3)14-10-15-22
    (4)16-11-18-29(8,32)19-17
    -26-25(7)27(30)23(5)24(6)
    28(26)31/h20-22,32H,9-19H
    2,1-8H3/t21-,22-,29-/m1/s
    1;
    LTVDFSLWFKLJDQ-IEOSBIPESA-N    		 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)
    (O)CCC1=C(C)C(=O)C(=C(C)C1=O)C; O=C1C(=C
    (C(=O)C(=C1CCC(O)(C)CCCC(C)CCCC(C)CCCC(C
    )C)C)C)C; CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(
    CCCC(C)CCCC(C)CCCC(C)C)O)C; CC(C)CCC[CH]
    (C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C
    (=C(C)C1=O)C; CC1=C(C(=O)C(=C(C1=O)C)CC[
    C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O
    )C    		 RRR-ALPHA-TOCOPHERYLQUINONE
    40126 VTR 0 C22 H20 Br2 N2 O6 InChI=1S/C22H20Br2N2O6/c2
    3-16-15(17(24)20(29)21(30
    )19(16)28)18(27)14-10-12-
    9-11(3-4-13(12)32-14)22(3
    1)25-5-8-26-6-1-2-7-26/h3
    -4,9-10,28-30H,1-2,5-8H2,
    (H,25,31);
    IZFDDCJWJDARBQ-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)NCCN3CCCC3)cc(o2)C(=O)c4c
    (c(c(c(c4Br)O)O)O)Br; Oc1c(O)c(Br)c(c(Br
    )c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4    		 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide
    40127 VTS 1 C19 H16 Cl2 N2 O3 InChI=1S/C19H16Cl2N2O3/c1
    -3-19(24)23(2)6-7-25-15-4
    -5-17(21)18(11-15)26-16-9
    -13(12-22)8-14(20)10-16/h
    3-5,8-11H,1,6-7H2,2H3;
    MYJVBQAXXKBPNA-UHFFFAOYSA-N    		 Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)OCCN(C)C(=
    O)C=C; CN(CCOc1ccc(c(c1)Oc2cc(cc(c2)Cl)C
    #N)Cl)C(=O)C=C; CN(CCOc1ccc(Cl)c(Oc2cc(C
    l)cc(c2)C#N)c1)C(=O)C=C    		 N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
    40128 VTT
    ZINC000002576189    		 3 C6 H8 N2 O S InChI=1S/C6H8N2OS/c1-4-2-
    3-10-5(4)6(9)8-7/h2-3H,7H
    2,1H3,(H,8,9);
    MVROGAXPQMISQI-UHFFFAOYSA-N    		 Cc1ccsc1C(=O)NN; O=C(NN)c1sccc1C 3-methylthiophene-2-carbohydrazide
    40129 VTU 2 C16 H20 N2 O6 V InChI=1S/2C8H11NO2.2O.V/c
    2*1-3-6-8(11)7(10)4-5-9(6
    )2;;;/h2*4-5,11H,3H2,1-2H
    3;;;/q;;;;+4/p-2;
    AZLTYIAFEATFKJ-UHFFFAOYSA-L    		 CCC1=C2C(=[O-][V+4]3(=O)(=O)(O2)[O-]=C4C
    =CN(C(=C4O3)CC)C)C=CN1C; CCC1=C2O[V+4]3(
    =O)(=O)(OC4=C(CC)N(C)C=CC4=[O-]3)[O-]=C2
    C=CN1C    		 bis-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(IV)O2;
    2,2'-diethyl-3,3'-dimethyl-8,8'-spirobi[7$l^{3},9-dioxa-3-aza-8$l^{8}-vanadabicyclo[4.3.0]nona-1,4,6-triene] 8,8-dioxide
    40130 VTV 1 C19 H16 Cl2 N2 O2 InChI=1S/C19H16Cl2N2O2/c1
    -3-19(24)23(2)7-6-13-4-5-
    17(21)18(10-13)25-16-9-14
    (12-22)8-15(20)11-16/h3-5
    ,8-11H,1,6-7H2,2H3;
    PBOUIGVVAWCXLX-UHFFFAOYSA-N    		 Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCN(C)C(=O
    )C=C; CN(CCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N
    )c1)C(=O)C=C; CN(CCc1ccc(c(c1)Oc2cc(cc(c
    2)Cl)C#N)Cl)C(=O)C=C    		 N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide
    40131 VTW
    CHEMBL4089780
    ZINC000000167630    		 3 C10 H7 N O3 InChI=1S/C10H7NO3/c12-10(
    13)9-6-8(11-14-9)7-4-2-1-
    3-5-7/h1-6H,(H,12,13);
    YGTFDJRCCBKLDM-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(on2)C(=O)O; O=C(O)c1cc(no
    1)c1ccccc1; OC(=O)c1onc(c1)c2ccccc2    		 3-phenyl-1,2-oxazole-5-carboxylic acid
    40132 VTX 30 C18 H22 N2 S InChI=1S/C18H22N2S/c1-14-
    7-8-17(15(2)13-14)21-18-6
    -4-3-5-16(18)20-11-9-19-1
    0-12-20/h3-8,13,19H,9-12H
    2,1-2H3;
    YQNWZWMKLDQSAC-UHFFFAOYSA-N    		 Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1; Cc1ccc(
    c(c1)C)Sc2ccccc2N3CCNCC3    		 Vortioxetine;
    1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;
    1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine
    40133 VTY
    ZINC000014490246    		 2 C5 H6 O3 InChI=1S/C5H6O3/c1-3-2-4(
    6)8-5(3)7/h2,4,6H,1H3/t4-
    /m0/s1;
    HQIZYPQNJWENRT-BYPYZUCNSA-N    		 CC1=C[CH](O)OC1=O; CC1=CC(OC1=O)O; CC1=C
    [C@H](OC1=O)O; CC1=C[C@@H](O)OC1=O    		 (5S)-5-hydroxy-3-methylfuran-2(5H)-one
    40134 VTZ 2 C8 H10 N O6 V InChI=1S/C8H11NO2.4O.V/c1
    -3-6-8(11)7(10)4-5-9(6)2;
    ;;;;/h4-5,11H,3H2,1-2H3;;
    ;;;/q;;3*-1;+4/p-1;
    PNFKDCNTOXLWCD-UHFFFAOYSA-M    		 CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[
    O-])C=CN1C; CCC1=C2O[V+4]([O-])([O-])([O
    -])(=O)[O-]=C2C=CN1C    		 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4
    40135 VU1
    ZINC000000814066    		 0 C13 H17 N O2 InChI=1S/C13H17NO2/c15-13
    (16)12-6-4-11(5-7-12)10-1
    4-8-2-1-3-9-14/h4-7H,1-3,
    8-10H2,(H,15,16);
    RNCCMTVMMFUIKR-UHFFFAOYSA-N    		 OC(=O)c1ccc(CN2CCCCC2)cc1; c1cc(ccc1CN2C
    CCCC2)C(=O)O; C2CCCN(Cc1ccc(C(O)=O)cc1)C
    2    		 4-[(piperidin-1-yl)methyl]benzoic acid
    40136 VU2 11 C15 H16 Cl N O InChI=1S/C15H16ClNO/c16-1
    4-8-6-12(7-9-14)11-18-15(
    10-17)13-4-2-1-3-5-13/h1-
    9,15H,10-11,17H2/t15-/m1/
    s1;
    KFVPLCBTGAXYHI-OAHLLOKOSA-N    		 c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl; Clc1
    ccc(cc1)COC(c2ccccc2)CN; NC[C@@H](OCc1cc
    c(Cl)cc1)c2ccccc2; NC[CH](OCc1ccc(Cl)cc1
    )c2ccccc2; c1ccc(cc1)C(CN)OCc2ccc(cc2)Cl    		 (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE
    40137 VU3
    CHEMBL1831032
    ZINC000007078410    		 15 C21 H24 N2 InChI=1S/C21H24N2/c1-2-6-
    17(7-3-1)18-10-13-23(14-1
    1-18)15-12-20-16-19-8-4-5
    -9-21(19)22-20/h1-9,16,18
    ,22H,10-15H2;
    PXWYOBGHDFLUNG-UHFFFAOYSA-N    		 C1CN(CCC1c2ccccc2)CCc3[nH]c4ccccc4c3; c1
    ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3; c2
    (cc1ccccc1n2)CCN4CCC(c3ccccc3)CC4    		 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE
    40138 VU4
    CHEMBL131305
    ZINC000000403992    		 1 C9 H11 N O2 InChI=1S/C9H11NO2/c10-6-5
    -7-1-3-8(4-2-7)9(11)12/h1
    -4H,5-6,10H2,(H,11,12);
    MRBFWTDIRYEDBQ-UHFFFAOYSA-N    		 c1cc(ccc1CCN)C(=O)O; NCCc1ccc(cc1)C(O)=O
    ; C(=O)(O)c1ccc(cc1)CCN    		 4-(2-aminoethyl)benzoic acid
    40139 VU5
    ZINC000019864193    		 1 C8 H16 N2 O2 InChI=1S/C8H16N2O2/c1-9-5
    -7(11)6-10-4-2-3-8(10)12/
    h7,9,11H,2-6H2,1H3/t7-/m0
    /s1;
    ZMESCLLKMGZIBU-ZETCQYMHSA-N    		 CNCC(CN1CCCC1=O)O; CNC[CH](O)CN1CCCC1=O;
    O=C1CCCN1CC(O)CNC; CNC[C@@H](CN1CCCC1=O
    )O; CNC[C@H](O)CN1CCCC1=O    		 1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
    40140 VU6 1 C24 H27 N7 O S InChI=1S/C24H27N7OS/c1-14
    -13-27-10-11-31(14)23-28-
    9-6-17(29-23)20-15-4-2-7-
    24(21(15)32-30-20)8-3-5-1
    8-19(24)16(12-25)22(26)33
    -18/h6,9,14,27H,2-5,7-8,1
    0-11,13,26H2,1H3/t14-,24-
    /m0/s1;
    PVOYBVVIBNPTPJ-BSEYFRJRSA-N    		 C[C@H]1CNCCN1c2nccc(n2)c3noc4c3CCC[C@@]4
    5CCCc6sc(N)c(C#N)c56; CC1CNCCN1c2nccc(n2
    )c3c4c(on3)C5(CCC4)CCCc6c5c(c(s6)N)C#N;
    C[C@H]1CNCCN1c2nccc(n2)c3c4c(on3)[C@@]5(
    CCC4)CCCc6c5c(c(s6)N)C#N; C[CH]1CNCCN1c2
    nccc(n2)c3noc4c3CCC[C]45CCCc6sc(N)c(C#N)
    c56    		 (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile
    40141 VU7
    CHEMBL4744558    		 1 C24 H18 F2 N2 O2 InChI=1S/C24H18F2N2O2/c1-
    14-22(24(29)28-30-2)19-13
    -17(25)11-12-21(19)27-23(
    14)16-9-7-15(8-10-16)18-5
    -3-4-6-20(18)26/h3-13H,1-
    2H3,(H,28,29);
    XPBXJYBHOVBFDA-UHFFFAOYSA-N    		 CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(
    cccc3)F)cc4; Cc1c(c2cc(ccc2nc1c3ccc(cc3)
    c4ccccc4F)F)C(=O)NOC; CONC(=O)c1c(C)c(nc
    2ccc(F)cc12)c3ccc(cc3)c4ccccc4F    		 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
    40142 VU8 1 C19 H16 Cl2 N2 O3 InChI=1S/C19H16Cl2N2O3/c1
    -3-19(24)23(2)6-7-25-18-1
    1-14(20)4-5-17(18)26-16-9
    -13(12-22)8-15(21)10-16/h
    3-5,8-11H,1,6-7H2,2H3;
    QOMSOHZGJXVGPQ-UHFFFAOYSA-N    		 CN(CCOc1cc(ccc1Oc2cc(cc(c2)Cl)C#N)Cl)C(=
    O)C=C; Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cc(C#
    N)cc(Cl)c2)cc1; CN(CCOc1cc(Cl)ccc1Oc2cc(
    Cl)cc(c2)C#N)C(=O)C=C    		 N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
    40143 VU9
    CHEMBL9434
    ZINC000000120271    		 1 C10 H14 N2 InChI=1S/C10H14N2/c1-2-4-
    10(5-3-1)12-8-6-11-7-9-12
    /h1-5,11H,6-9H2;
    YZTJYBJCZXZGCT-UHFFFAOYSA-N    		 c1cc(ccc1)N1CCNCC1; C1CN(CCN1)c2ccccc2;
    c1ccc(cc1)N2CCNCC2    		 1-phenylpiperazine
    40144 VUA
    CHEMBL4757008    		 1 C18 H24 N4 InChI=1S/C18H24N4/c1-15-9
    -13-22(14-10-15)17-8-12-2
    0-18(21-17)19-11-7-16-5-3
    -2-4-6-16/h2-6,8,12,15H,7
    ,9-11,13-14H2,1H3,(H,19,2
    0,21);
    FAHPWKWHSCNRBO-UHFFFAOYSA-N    		 CC1CCN(CC1)c2ccnc(NCCc3ccccc3)n2; n2ccc(
    N1CCC(CC1)C)nc2NCCc3ccccc3; CC1CCN(CC1)c
    2ccnc(n2)NCCc3ccccc3    		 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
    40145 VUB 0 C17 H21 N3 O4 InChI=1S/C17H21N3O4/c1-10
    (2)7-13(18)16-19-14(17(24
    )20(16)9-15(22)23)8-11-3-
    5-12(21)6-4-11/h3-6,10,18
    ,21,24H,7-9H2,1-2H3,(H,22
    ,23)/b18-13-;
    OCWUNMVDAKROFH-AQTBWJFISA-N    		 [H]/N=C(/CC(C)C)\c1nc(c(n1CC(=O)O)O)Cc2c
    cc(cc2)O; CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c
    (O)n1CC(O)=O; CC(C)CC(=N)c1nc(c(n1CC(=O)
    O)O)Cc2ccc(cc2)O    		 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
    40146 VUD
    CHEMBL4650304
    DB18122    		 2 C19 H16 F N5 O2 InChI=1S/C19H16FN5O2/c1-1
    1(18-15(5-6-17(26)24-18)2
    5-8-2-7-22-25)27-16-10-12
    -9-13(20)3-4-14(12)23-19(
    16)21/h2-11H,1H3,(H2,21,2
    3)(H,24,26)/t11-/m0/s1;
    CLEFVPILGAPOTG-NSHDSACASA-N    		 CC(C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4
    nc3N)F; C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)
    Oc3cc4cc(ccc4nc3N)F; C3(=C(C(Oc2c(nc1c(c
    c(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4; C[CH]
    (Oc1cc2cc(F)ccc2nc1N)C3=C(C=CC(=O)N3)n4c
    ccn4; C[C@H](Oc1cc2cc(F)ccc2nc1N)C3=C(C=
    CC(=O)N3)n4cccn4    		 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
    40147 VUE
    ZINC000004521320    		 1 C8 H9 Cl N2 O3 InChI=1S/C8H9ClN2O3/c9-6-
    1-2-7(10-3-4-12)8(5-6)11(
    13)14/h1-2,5,10,12H,3-4H2;
    LGGKGPQFSCBUOR-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)N(=O)=O)NCCO; OCCNc1ccc(Cl)
    cc1[N](=O)=O; Clc1cc(c(NCCO)cc1)N(=O)=O    		 2-(4-chloro-2-nitroanilino)ethan-1-ol
    40148 VUF 2 C28 H35 Cl N6 O InChI=1S/C28H35ClN6O/c1-2
    0(36)34-15-17-35(18-16-34
    )23-9-10-24-25(19-23)32-2
    7(33-26(24)31-14-13-30)28
    (11-3-2-4-12-28)21-5-7-22
    (29)8-6-21/h5-10,19H,2-4,
    11-18,30H2,1H3,(H,31,32,3
    3);
    GGEKTDCCHNVLNE-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4
    (CCCCC4)c5ccc(cc5)Cl; CC(=O)N1CCN(CC1)c2
    ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)c
    c5    		 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone
    40149 VUG
    CHEMBL4435596    		 5 C22 H29 N3 InChI=1S/C22H29N3/c1-18-4
    -2-5-20(16-18)19-7-9-21(1
    0-8-19)24-12-14-25(15-13-
    24)22-6-3-11-23-17-22/h2-
    6,11,16-17,19,21H,7-10,12
    -15H2,1H3/t19-,21+;
    QANXJBIOBLNORO-TYKWCNGQSA-N    		 Cc1cccc(c1)[C@H]2CC[C@H](CC2)N3CCN(CC3)c
    4cccnc4; Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)
    c4cccnc4; Cc1cccc(c1)[CH]2CC[CH](CC2)N3C
    CN(CC3)c4cccnc4; c4cc(N1CCN(CC1)C3CCC(c2
    cccc(C)c2)CC3)cnc4    		 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine
    40150 VUI
    ZINC000042389486    		 1 C9 H10 Br N O4 InChI=1S/C9H10BrNO4/c1-14
    -4-5-15-9-3-2-7(10)6-8(9)
    11(12)13/h2-3,6H,4-5H2,1H
    3;
    JDMAYXLFPMODFC-UHFFFAOYSA-N    		 COCCOc1ccc(cc1N(=O)=O)Br; Brc1cc(c(OCCOC
    )cc1)N(=O)=O; COCCOc1ccc(Br)cc1[N](=O)=O    		 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
    40151 VUJ 3 C23 H29 N3 O InChI=1S/C23H29N3O/c1-18-
    3-2-4-21(15-18)20-6-8-22(
    9-7-20)26-13-11-25(12-14-
    26)17-19-5-10-23(27)24-16
    -19/h2-6,8,10,15-16,20,22
    H,7,9,11-14,17H2,1H3,(H,2
    4,27)/t20-,22+/m0/s1;
    FHCQTFCSGMYNPX-RBBKRZOGSA-N    		 C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=
    CC(NC=4)=O; Cc1cccc(c1)C2CCC(C=C2)N3CCN(
    CC3)CC4=CNC(=O)C=C4; Cc1cccc(c1)[C@@H]2C
    C[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4;
    Cc1cccc(c1)[CH]2CC[CH](C=C2)N3CCN(CC3)CC
    4=CNC(=O)C=C4    		 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one
    40152 VUK 1 C46 H58 N2 O12 InChI=1S/C46H58N2O12/c1-8
    -10-11-12-16-21-36(51)57-
    40-38-37(29(4)39(40)58-42
    (52)28(3)9-2)41-46(55,45(
    7,54)43(53)59-41)34(27-44
    (38,6)60-30(5)49)56-35(50
    )22-17-18-31-23-25-33(26-
    24-31)48-47-32-19-14-13-1
    5-20-32/h9,13-15,19-20,23
    -26,34,38-41,54-55H,8,10-
    12,16-18,21-22,27H2,1-7H3
    /b28-9-,48-47+/t34-,38+,3
    9-,40-,41-,44-,45+,46+/m0
    /s1;
    NGXFGRHJQLJRQJ-RCNCXLEOSA-N    		 CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(C)=C
    /C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O
    )[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)C
    CCc4ccc(cc4)N=Nc5ccccc5)C; CCCCCCCC(=O)O
    [CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)
    [C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH
    ]12)OC(=O)CCCc4ccc(cc4)N=Nc5ccccc5)C; CC
    CCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3
    C(C(CC2(C)OC(=O)C)OC(=O)CCCc4ccc(cc4)N=N
    c5ccccc5)(C(C(=O)O3)(C)O)O; CCCCCCCC(=O)
    O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/
    C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC
    (=O)CCCc4ccc(cc4)/N=N/c5ccccc5)([C@](C(=
    O)O3)(C)O)O    		 [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(E)-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate;
    photoswitch-thapsigargin derivative AzTG-4
    40153 VUL 6 C20 H32 N6 O7 S InChI=1S/C20H32N6O7S/c1-2
    -3-4-5-6-7-8-9-14(27)25-3
    4(30,31)32-10-13-16(28)17
    (29)20(33-13)26-12-24-15-
    18(21)22-11-23-19(15)26/h
    11-13,16-17,20,28-29H,2-1
    0H2,1H3,(H,25,27)(H2,21,2
    2,23)/t13-,16-,17-,20-/m1
    /s1;
    WHJSYVVAGQVYEC-AEVYOOLXSA-N    		 CCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([
    C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CCCCC
    CCCCC(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H
    ](O)[C@@H]1O)n2cnc3c(N)ncnc23; CCCCCCCCC
    C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3c(N)ncnc23; CCCCCCCCCC(=O)NS(=
    O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O    		 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate
    40154 VUM
    CHEMBL4777551    		 6 C23 H28 F3 N3 O2 InChI=1S/C23H28F3N3O2/c24
    -23(25,26)19-3-1-2-18(14-
    19)22(31)8-6-20(7-9-22)29
    -12-10-28(11-13-29)16-17-
    4-5-21(30)27-15-17/h1-5,1
    4-15,20,31H,6-13,16H2,(H,
    27,30)/t20-,22-;
    HGNRFWCPFKHVCH-AQYVVDRMSA-N    		 O[C]1(CC[CH](CC1)N2CCN(CC2)CC3=CNC(=O)C=
    C3)c4cccc(c4)C(F)(F)F; c1cc(cc(c1)C(F)(F
    )F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)
    O; C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc
    (ccc3)C(F)(F)F)CC4)=O; O[C@]1(CC[C@@H](C
    C1)N2CCN(CC2)CC3=CNC(=O)C=C3)c4cccc(c4)C
    (F)(F)F    		 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
    40155 VUN
    ZINC000003491483    		 1 C11 H14 O3 InChI=1S/C11H14O3/c1-8(2)
    14-7-9-3-5-10(6-4-9)11(12
    )13/h3-6,8H,7H2,1-2H3,(H,
    12,13);
    CDUSEBOKXBZUSG-UHFFFAOYSA-N    		 O=C(O)c1ccc(COC(C)C)cc1; CC(C)OCc1ccc(cc
    1)C(=O)O; CC(C)OCc1ccc(cc1)C(O)=O    		 4-{[(propan-2-yl)oxy]methyl}benzoic acid
    40156 VUO
    CHEMBL442687
    DB13343
    ZINC000000002181    		 1 C7 H4 O3 S InChI=1S/C7H4O3S/c8-4-1-2
    -6-5(3-4)10-7(9)11-6/h1-3
    ,8H;
    SLYPOVJCSQHITR-UHFFFAOYSA-N    		 Oc1ccc2SC(=O)Oc2c1; c1cc2c(cc1O)OC(=O)S2 6-oxidanyl-1,3-benzoxathiol-2-one
    40157 VUP
    ZINC000095921243    		 1 C11 H12 N6 O InChI=1S/C11H12N6O/c1-3-1
    7-8-4-6(2)13-5-7(8)14-11(
    17)9-10(12)16-18-15-9/h4-
    5H,3H2,1-2H3,(H2,12,16);
    QHFQFSACHXZZDN-UHFFFAOYSA-N    		 CCn1c2cc(ncc2nc1c3c(non3)N)C; n1onc(N)c1
    c2nc3c(n2CC)cc(nc3)C; CCn1c2cc(C)ncc2nc1
    c3nonc3N    		 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
    40158 VUR
    ZINC000221860752    		 4 C7 H15 N3 O2 S InChI=1S/C7H15N3O2S/c8-5(
    7(11)12)2-1-3-10-6(9)4-13
    /h5,13H,1-4,8H2,(H2,9,10)
    (H,11,12)/t5-/m0/s1;
    ROQCTZSRBCTHGN-YFKPBYRVSA-N    		 N[C@@H](CCCNC(=N)CS)C(O)=O; [H]/N=C(\CS)
    /NCCC[C@@H](C(=O)O)N; N[CH](CCCNC(=N)CS)
    C(O)=O; O=C(O)C(N)CCCNC(=[N@H])CS; C(CC(
    C(=O)O)N)CNC(=N)CS    		 (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID
    40159 VUS 6 C10 H20 B N2 O5 InChI=1S/C10H20BN2O5/c14-
    9(15)8-10(2-1-4-11(16,17)
    18)3-5-12-7(10)6-13-8/h7-
    8,12-13,16-18H,1-6H2,(H,1
    4,15)/q-1/t7-,8+,10-/m0/s
    1;
    GRYGPEAWAXQHBS-XKSSXDPKSA-N    		 O=C(O)C1NCC2NCCC12CCC[B-](O)(O)O; OC(=O)
    [CH]1NC[CH]2NCC[C]12CCC[B-](O)(O)O; OC(=
    O)[C@H]1NC[C@@H]2NCC[C@]12CCC[B-](O)(O)O
    ; [B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O
    )(O)(O)O; [B-](CCCC12CCNC1CNC2C(=O)O)(O)
    (O)O    		 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
    40160 VUT
    CHEMBL1448
    DB06803
    ZINC000003874496    		 0 C13 H8 Cl2 N2 O4 InChI=1S/C13H8Cl2N2O4/c14
    -7-1-4-12(18)9(5-7)13(19)
    16-11-3-2-8(17(20)21)6-10
    (11)15/h1-6,18H,(H,16,19);
    RJMUSRYZPJIFPJ-UHFFFAOYSA-N    		 Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-]
    )=O; c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2c
    c(ccc2O)Cl; Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2
    Cl)[N+]([O-])=O    		 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;
    Niclosamide
    40161 VUU
    ZINC000052041332    		 1 C10 H15 N3 S InChI=1S/C10H15N3S/c11-10
    (13-8-3-4-8)12-6-5-9-2-1-
    7-14-9/h1-2,7-8H,3-6H2,(H
    3,11,12,13);
    SWJOFACUYCRNRC-UHFFFAOYSA-N    		 N=C(NCCc1cccs1)NC1CC1; N=C(NCCc1sccc1)NC
    2CC2; [H]/N=C(\NCCc1cccs1)/NC2CC2; c1cc(
    sc1)CCNC(=N)NC2CC2    		 N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine
    40162 VUV 6 C8 H17 B N O5 InChI=1S/C8H17BNO5/c11-8(
    12)7-6(3-5-10-7)2-1-4-9(1
    3,14)15/h6-7,10,13-15H,1-
    5H2,(H,11,12)/q-1/t6-,7+/
    m1/s1;
    SKGPQQUJOITTRF-RQJHMYQMSA-N    		 [B-](CCCC1CCNC1C(=O)O)(O)(O)O; OC(=O)[C@
    H]1NCC[C@H]1CCC[B-](O)(O)O; [B-](CCC[C@@
    H]1CCN[C@@H]1C(=O)O)(O)(O)O; O=C(O)C1NCC
    C1CCC[B-](O)(O)O; OC(=O)[CH]1NCC[CH]1CCC
    [B-](O)(O)O    		 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
    40163 VUY 6 C9 H17 B N O5 S InChI=1S/C9H17BNO5S/c12-8
    (13)7-9(2-1-3-10(14,15)16
    )5-17-6(9)4-11-7/h6-7,11,
    14-16H,1-5H2,(H,12,13)/q-
    1/t6-,7+,9-/m0/s1;
    UPRXFJNZWUYSLX-OOZYFLPDSA-N    		 [B-](CCCC12CSC1CNC2C(=O)O)(O)(O)O; [B-](
    CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O
    ; OC(=O)[CH]1NC[CH]2SC[C]12CCC[B-](O)(O)
    O; O=C(O)C1NCC2SCC12CCC[B-](O)(O)O; OC(=
    O)[C@H]1NC[C@@H]2SC[C@]12CCC[B-](O)(O)O    		 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
    40164 VUZ 1 C22 H20 Cl N7 O InChI=1S/C22H20ClN7O/c1-3
    -20(31)25-15-6-5-7-16(11-
    15)26-21-18-10-14(23)8-9-
    19(18)28-22(29-21)27-17-1
    2-24-30(4-2)13-17/h3,5-13
    H,1,4H2,2H3,(H,25,31)(H2,
    26,27,28,29);
    FCHNDUSRWAGJES-UHFFFAOYSA-N    		 CCn1cc(cn1)Nc2nc3ccc(cc3c(n2)Nc4cccc(c4)
    NC(=O)C=C)Cl; CCn1cc(Nc2nc(Nc3cccc(NC(=O
    )C=C)c3)c4cc(Cl)ccc4n2)cn1    		 ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
    40165 VV0
    ZINC000019092997    		 4 C11 H16 N2 O InChI=1S/C11H16N2O/c1-7(2
    )13-11(14)9-4-5-10(12)8(3
    )6-9/h4-7H,12H2,1-3H3,(H,
    13,14);
    RXNCBCWEWIPAST-UHFFFAOYSA-N    		 CC(C)NC(=O)c1ccc(N)c(C)c1; Cc1cc(ccc1N)C
    (=O)NC(C)C    		 4-amino-3-methyl-N-(propan-2-yl)benzamide
    40166 VV1 6 C9 H18 B N2 O5 InChI=1S/C9H18BN2O5/c13-8
    (14)7-9(2-1-3-10(15,16)17
    )5-12-6(9)4-11-7/h6-7,11-
    12,15-17H,1-5H2,(H,13,14)
    /q-1/t6-,7+,9-/m0/s1;
    BCFOBXHGEQBWQU-OOZYFLPDSA-N    		 O=C(O)C1NCC2NCC12CCC[B-](O)(O)O; [B-](CC
    C[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O;
    OC(=O)[CH]1NC[CH]2NC[C]12CCC[B-](O)(O)O;
    [B-](CCCC12CNC1CNC2C(=O)O)(O)(O)O; OC(=
    O)[C@H]1NC[C@@H]2NC[C@]12CCC[B-](O)(O)O    		 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
    40167 VV2 1 Fe4 S3 InChI=1S/4Fe.3S;
    QQACTBFBZNWJMV-UHFFFAOYSA-N    		 [S]12[Fe]S34[Fe]1[S]([Fe]23)[Fe]4; S1[Fe
    ][S]2([Fe]1)[Fe]S[Fe]2    		 Fe-S cluster
    40168 VV3 2 C30 H31 F N4 O4 InChI=1S/C30H31FN4O4/c1-1
    9-11-22(31)5-6-25(19)26-1
    4-21(18-35-8-7-33(2)30(35
    )32)15-27-28(26)39-10-9-3
    4(29(27)36)17-20-12-23(37
    -3)16-24(13-20)38-4/h5-8,
    11-16,32H,9-10,17-18H2,1-
    4H3/b32-30+;
    KLFBZLMEAVVEOS-NHQGMKOOSA-N    		 CN1C=CN(Cc2cc(c3OCCN(Cc4cc(OC)cc(OC)c4)C
    (=O)c3c2)c2ccc(F)cc2C)C1=N; [H]/N=C/1\N(
    C=CN1Cc2cc(c3c(c2)C(=O)N(CCO3)Cc4cc(cc(c
    4)OC)OC)c5ccc(cc5C)F)C; COc1cc(CN2CCOc3c
    (cc(CN4C=CN(C)C4=N)cc3c5ccc(F)cc5C)C2=O)
    cc(OC)c1; Cc1cc(ccc1c2cc(cc3c2OCCN(C3=O)
    Cc4cc(cc(c4)OC)OC)CN5C=CN(C5=N)C)F    		 (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
    40169 VV4 6 C10 H20 B N2 O5 InChI=1S/C10H20BN2O5/c14-
    9(15)10-3-5-12-8(6-13-10)
    7(10)2-1-4-11(16,17)18/h7
    -8,12-13,16-18H,1-6H2,(H,
    14,15)/q-1/t7-,8+,10+/m1/
    s1;
    LAVGLMPTAZJTQK-WEDXCCLWSA-N    		 O[B-](O)(O)CCCC1C2NCCC1(NC2)C(=O)O; OC(=
    O)[C]12CCN[CH](CN1)[CH]2CCC[B-](O)(O)O;
    [B-](CCCC1C2CNC1(CCN2)C(=O)O)(O)(O)O; [B
    -](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)
    (O)(O)O; OC(=O)[C@@]12CCN[C@@H](CN1)[C@H
    ]2CCC[B-](O)(O)O    		 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
    40170 VV5
    CHEMBL4929846
    ZINC000013010505    		 1 C12 H12 N2 O S InChI=1S/C12H12N2OS/c15-1
    2(10-3-1-6-13-9-10)14-7-5
    -11-4-2-8-16-11/h1-4,6,8-
    9H,5,7H2,(H,14,15);
    VMWNPRLDFTXJRJ-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)NCCc2cccs2; O=C(NCCc1cccs
    1)c1cccnc1; O=C(NCCc1sccc1)c2cccnc2    		 N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
    40171 VV6 1 H12 O17 V6 InChI=1S/12H2O.5O.6V/h12*
    1H2;;;;;;;;;;;/q;;;;;;;;;
    ;;;;;;;;;+1;2*+2;+3;+4/p-
    12;
    JXGHONBPQWTYGF-UHFFFAOYSA-B    		 O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(
    O)O)O[V](O)(O)(O)O; O[V](O)O[V](O)(O)O[V
    ](O)(O)O.O[V](O[V]=O)O[V](O)(O)(O)O    		 [[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
    40172 VV7 1 C69 H77 N20 O39 InChI=1S/C69H100N20O39/c9
    0-10-27-1-28(60(115)70-68
    (24-121-41-9-89(83-77-41)
    67-59(114)53(108)47(102)4
    0(16-96)128-67,22-117-17-
    30-4-84(78-72-30)62-54(10
    9)48(103)42(97)35(11-91)1
    23-62)23-118-18-31-5-85(7
    9-73-31)63-55(110)49(104)
    43(98)36(12-92)124-63)3-2
    9(2-27)61(116)71-69(122-2
    1-34-8-88(82-76-34)66-58(
    113)52(107)46(101)39(15-9
    5)127-66,25-119-19-32-6-8
    6(80-74-32)64-56(111)50(1
    05)44(99)37(13-93)125-64)
    26-120-20-33-7-87(81-75-3
    3)65-57(112)51(106)45(100
    )38(14-94)126-65/h1-9,35-
    40,42-59,62-67,90-114H,10
    -26H2,(H,70,115)(H,71,116
    )/t35-,36+,37-,38?,39+,40
    ?,42-,43-,44-,45?,46-,47?
    ,48+,49?,50+,51?,52?,53?,
    54-,55?,56-,57?,58?,59?,6
    2-,63+,64-,65?,66+,67?,68
    +,69+/m0/s1;
    UIPCUAWHWTZJAS-NIRXFCQJSA-N    		 [O][C][C]1O[C]([C]([O])[C]([O])[C]1[O])n
    2cc(OC[C@@](COCc3cn(nn3)[C@H]4O[C@@H](CO
    )[C@H](O)[C@@H](O)[C@@H]4O)(COCc5cn(nn5)
    [C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6
    O)NC(=O)c7cc(CO)cc(c7)C(=O)N[C@](COCc8cn
    (nn8)[C]9O[C]([C][O])[C]([O])[C]([O])[C]
    9[O])(COCc%10cn(nn%10)[C@H]%11O[C@@H](CO
    )[C@H](O)[C@@H](O)[C@@H]%11O)OCc%12cn(nn
    %12)[C@@H]%13O[C@H](CO)[C@H](O)[C@H](O)[
    C@@H]%13O)nn2; c1c(cc(cc1C(=O)NC(COCc2cn
    (nn2)C3C(C(C(C(O3)CO)O)O)O)(COCc4cn(nn4)
    C5C(C(C(C(O5)CO)O)O)O)COc6[c]n(nn6)[C]7[
    C]([C]([C]([C](O7)[C][O])[O])[O])[O])C(=
    O)NC(COCc8cn(nn8)C9C(C(C(C(O9)CO)O)O)O)(
    COCc1cn(nn1)[C]1[C]([C]([C]([C](O1)[C][O
    ])[O])[O])[O])OCc1cn(nn1)C1C(C(C(C(O1)CO
    )O)O)O)CO; c1c(cc(cc1C(=O)N[C@@](COCc2cn
    (nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3
    )CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([
    C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H
    ]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8c
    n(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O
    9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H](
    [C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([
    C]([C]([C](O1)[C][O])[O])[O])[O])CO; [O]
    [C][C]1O[C]([C]([O])[C]([O])[C]1[O])n2cc
    (OC[C](COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)
    [CH](O)[CH]4O)(COCc5cn(nn5)[CH]6O[CH](CO
    )[CH](O)[CH](O)[CH]6O)NC(=O)c7cc(CO)cc(c
    7)C(=O)N[C](COCc8cn(nn8)[C]9O[C]([C][O])
    [C]([O])[C]([O])[C]9[O])(COCc%10cn(nn%10
    )[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)
    OCc%12cn(nn%12)[CH]%13O[CH](CO)[CH](O)[C
    H](O)[CH]%13O)nn2    		 DENDRON-D3
    40173 VV8 1 C16 H23 F3 N2 O4 S2 InChI=1S/C16H23F3N2O4S2/c
    1-2-26(22,23)16-12(18)11(
    17)15(27(20,24)25)13(19)1
    4(16)21-10-8-6-4-3-5-7-9-
    10/h10,21H,2-9H2,1H3,(H2,
    20,24,25);
    JATZJQNOFRECGS-UHFFFAOYSA-N    		 CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)
    NC2CCCCCCC2; CC[S](=O)(=O)c1c(F)c(F)c(c(
    F)c1NC2CCCCCCC2)[S](N)(=O)=O    		 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide
    40174 VV9 1 C16 H15 Br Cl N O3 S2 InChI=1S/C16H15BrClNO3S2/
    c1-22-15-7-2-11(10-14(15)
    17)16-19(8-9-23-16)24(20,
    21)13-5-3-12(18)4-6-13/h2
    -7,10,16H,8-9H2,1H3/t16-/
    m0/s1;
    PNGJPVDGZNPZHY-INIZCTEOSA-N    		 COc1ccc(cc1Br)C2N(CCS2)S(=O)(=O)c3ccc(cc
    3)Cl; COc1ccc(cc1Br)[C@H]2N(CCS2)S(=O)(=
    O)c3ccc(cc3)Cl; COc1ccc(cc1Br)[C@@H]2SCC
    N2[S](=O)(=O)c3ccc(Cl)cc3; COc1ccc(cc1Br
    )[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3    		 (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine;
    BMS-986122
    40175 VVA
    ZINC000584905742    		 5 C21 H44 N O6 P InChI=1S/C21H44NO6P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-16-21(23)26-19-20-
    28-29(24,25)27-18-17-22/h
    2-20,22H2,1H3,(H,24,25);
    KBKQEKNZSDBGFI-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCC(=O)OCCO[P](O)(=O)OCCN;
    O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O;
    CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN    		 2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
    40176 VVB 2 H2 O2 V InChI=1S/2H2O.V/h2*1H2;/q
    ;;+2/p-2;
    UVEFAEMXFFXFKB-UHFFFAOYSA-L    		 O[V]O bis(oxidanyl)vanadium
    40177 VVC
    CHEMBL322215
    ZINC000003993852    		 4 C11 H13 N3 O4 InChI=1S/C11H13N3O4/c1-2-
    11(6-15)7(16)5-9(18-11)14
    -4-3-8(12)13-10(14)17/h1,
    3-4,7,9,15-16H,5-6H2,(H2,
    12,13,17)/t7-,9+,11+/m0/s
    1;
    MSPJPGIGNWYLAC-JVUFJMBOSA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@](CO
    )(O2)C#C; C#C[C@]1([C@H](C[C@@H](O1)N2C=
    CC(=NC2=O)N)O)CO; NC1=NC(=O)N(C=C1)[CH]2
    C[CH](O)[C](CO)(O2)C#C; C#CC1(C(CC(O1)N2
    C=CC(=NC2=O)N)O)CO    		 4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
    40178 VVD
    ZINC000037500397    		 2 C9 H8 F N O3 InChI=1S/C9H8FNO3/c1-5(12
    )11-6-2-3-8(10)7(4-6)9(13
    )14/h2-4H,1H3,(H,11,12)(H
    ,13,14);
    HGFZDZZEWWPKIB-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(c(c1)C(=O)O)F; CC(=O)Nc1ccc
    (F)c(c1)C(O)=O; N(c1ccc(F)c(c1)C(=O)O)C(
    C)=O    		 5-(acetylamino)-2-fluorobenzoic acid
    40179 VVE 3 C25 H19 Cl2 N3 O4 InChI=1S/C25H19Cl2N3O4/c1
    -2-24(31)30-21-6-4-3-5-20
    (21)29(25(30)32)9-10-33-2
    3-14-17(26)7-8-22(23)34-1
    9-12-16(15-28)11-18(27)13
    -19/h3-8,11-14H,2,9-10H2,
    1H3;
    LGSPOOOHYUJKNO-UHFFFAOYSA-N    		 CCC(=O)N1c2ccccc2N(C1=O)CCOc3cc(ccc3Oc4c
    c(cc(c4)Cl)C#N)Cl; CCC(=O)N1C(=O)N(CCOc2
    cc(Cl)ccc2Oc3cc(Cl)cc(c3)C#N)c4ccccc14;
    N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccc
    cc2N(C(=O)CC)C1=O    		 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
    40180 VVF
    CHEMBL1966471
    ZINC000000136796    		 1 C10 H7 F3 N2 O InChI=1S/C10H7F3N2O/c11-1
    0(12,13)7-2-1-3-8(6-7)15-
    9(16)4-5-14/h1-3,6H,4H2,(
    H,15,16);
    HYPXSLNQQNLJDY-UHFFFAOYSA-N    		 O=C(Nc1cc(ccc1)C(F)(F)F)CC#N; c1cc(cc(c1
    )NC(=O)CC#N)C(F)(F)F; FC(F)(F)c1cccc(NC(
    =O)CC#N)c1    		 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide
    40181 VVG
    CHEMBL4539250
    ZINC000006048796    		 5 C8 H10 F N O2 S InChI=1S/C8H10FNO2S/c1-2-
    13(11,12)10-8-6-4-3-5-7(8
    )9/h3-6,10H,2H2,1H3;
    MRTGYFRQZQCITC-UHFFFAOYSA-N    		 CC[S](=O)(=O)Nc1ccccc1F; CCS(=O)(=O)Nc1c
    cccc1F; N(c1ccccc1F)S(CC)(=O)=O    		 N-(2-fluorophenyl)ethanesulfonamide
    40182 VVH 2 C32 H29 F2 N3 O5 InChI=1S/C32H29F2N3O5/c33
    -32(34)31-25(2-1-3-27(31)
    23-5-7-28-30(13-23)40-11-
    10-39-28)20-41-26-6-4-24(
    18-36-8-9-38)29(14-26)42-
    19-22-12-21(15-35)16-37-1
    7-22/h1-7,12-14,16-17,32,
    36,38H,8-11,18-20H2;
    YNAHCBRGGPSNDZ-UHFFFAOYSA-N    		 OCCNCc1ccc(OCc2cccc(c3ccc4OCCOc4c3)c2C(F
    )F)cc1OCc5cncc(c5)C#N; c1cc(c(c(c1)c2ccc
    3c(c2)OCCO3)C(F)F)COc4ccc(c(c4)OCc5cc(cn
    c5)C#N)CNCCO    		 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile
    40183 VVI 1 C21 H17 Br Cl2 N6 O4 InChI=1S/C21H17BrCl2N6O4/
    c1-10(19-13(23)7-26-8-14(
    19)24)34-16-4-18(27-6-11(
    16)5-25)29-21(32)30-20-17
    (33-2)3-12(22)15(9-31)28-
    20/h3-4,6-8,10,31H,9H2,1-
    2H3,(H2,27,28,29,30,32)/t
    10-/m1/s1;
    QPFZVILXPYACRC-SNVBAGLBSA-N    		 CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)Nc
    3c(cc(c(n3)CO)Br)OC; COc1cc(Br)c(CO)nc1N
    C(=O)Nc2cc(O[CH](C)c3c(Cl)cncc3Cl)c(cn2)
    C#N; C[C@H](c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N
    )NC(=O)Nc3c(cc(c(n3)CO)Br)OC; COc1cc(Br)
    c(CO)nc1NC(=O)Nc2cc(O[C@H](C)c3c(Cl)cncc
    3Cl)c(cn2)C#N    		 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea
    40184 VVJ
    ZINC000065576535    		 1 C9 H19 N O2 S InChI=1S/C9H19NO2S/c1-10(
    13(2,11)12)9-7-5-3-4-6-8-
    9/h9H,3-8H2,1-2H3;
    UXPPTRFZLSZETL-UHFFFAOYSA-N    		 CN(C1CCCCCC1)S(=O)(=O)C; CN(C1CCCCCC1)[S
    ](C)(=O)=O; N(S(=O)(=O)C)(C1CCCCCC1)C    		 N-cycloheptyl-N-methylmethanesulfonamide
    40185 VVK
    ZINC000004244812    		 1 C11 H15 N O3 InChI=1S/C11H15NO3/c1-11(
    2,10(13)14)12-8-6-4-5-7-9
    (8)15-3/h4-7,12H,1-3H3,(H
    ,13,14);
    UZHWAXFPZBAHMZ-UHFFFAOYSA-N    		 COc1ccccc1NC(C)(C)C(=O)O; COc1ccccc1NC(C
    )(C)C(O)=O; CC(C)(C(=O)O)Nc1ccccc1OC    		 N-(2-methoxyphenyl)-2-methyl-L-alanine
    40186 VVL
    CHEMBL1968132
    ZINC000006575289    		 1 C10 H9 N3 S2 InChI=1S/C10H9N3S2/c14-9-
    8(12-13-10(15)11-9)6-7-4-
    2-1-3-5-7/h1-5H,6H2,(H2,1
    1,13,14,15);
    LJIJCOCWWHDFLK-UHFFFAOYSA-N    		 c1ccc(cc1)CC2=NNC(=S)NC2=S; S=C1NN=C(Cc2
    ccccc2)C(=S)N1; S=C1NC(=S)C(Cc2ccccc2)=N
    N1    		 6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione
    40187 VVM
    CHEMBL359839
    ZINC000000141883    		 1 C12 H12 N2 O2 S InChI=1S/C12H12N2O2S/c13-
    10-6-8-12(9-7-10)17(15,16
    )14-11-4-2-1-3-5-11/h1-9,
    14H,13H2;
    YBUXKQSCKVQATK-UHFFFAOYSA-N    		 c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N; Nc1ccc(
    cc1)S(=O)(=O)Nc2ccccc2; Nc1ccc(cc1)[S](=
    O)(=O)Nc2ccccc2    		 4-amino-N-phenylbenzene-1-sulfonamide
    40188 VVN 1 C21 H21 N3 O3 InChI=1S/C21H21N3O3/c1-3-
    21(25)23(2)11-12-26-19-7-
    4-5-8-20(19)27-18-9-6-10-
    24-15-16(14-22)13-17(18)2
    4/h4-10,13,15H,3,11-12H2,
    1-2H3;
    ONGVXJRZAFCJEX-UHFFFAOYSA-N    		 CCC(=O)N(C)CCOc1ccccc1Oc2cccn3c2cc(c3)C#
    N; CCC(=O)N(C)CCOc1ccccc1Oc2cccn3cc(cc23
    )C#N; CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(c
    c12)C#N    		 N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
    40189 VVO 11 O V InChI=1S/O.V/q;+2;
    MHHDXUNFNAZUGB-UHFFFAOYSA-N    		 O=[V+2]; O=[V++] oxovanadium(2+)
    40190 VVP
    CHEMBL2018155
    ZINC000000407091    		 8 C9 H9 N O InChI=1S/C9H9NO/c1-11-9-4
    -2-3-8-7(9)5-6-10-8/h2-6,
    10H,1H3;
    LUNOXNMCFPFPMO-UHFFFAOYSA-N    		 COc1cccc2c1cc[nH]2; COc1cccc2[nH]ccc12;
    n1ccc2c1cccc2OC    		 4-methoxy-1H-indole
    40191 VVQ
    CHEMBL3330104
    ZINC000098209541    		 1 C16 H14 Cl N5 O InChI=1S/C16H14ClN5O/c1-8
    -2-3-9(17)6-10(8)14-11(15
    (18)23)7-13(21-14)12-4-5-
    20-16(19)22-12/h2-7,21H,1
    H3,(H2,18,23)(H2,19,20,22
    );
    DQDASFFHMDSYAZ-UHFFFAOYSA-N    		 Cc1ccc(Cl)cc1c2[nH]c(cc2C(N)=O)c3ccnc(N)
    n3; Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C
    (=O)N)Cl; Clc3ccc(c(c2c(cc(c1nc(ncc1)N)n
    2)C(=O)N)c3)C    		 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
    40192 VVR
    ZINC000000080797    		 1 C9 H10 O3 InChI=1S/C9H10O3/c10-9(11
    )6-7-12-8-4-2-1-3-5-8/h1-
    5H,6-7H2,(H,10,11);
    BUSOTUQRURCMCM-UHFFFAOYSA-N    		 OC(=O)CCOc1ccccc1; c1ccc(cc1)OCCC(=O)O;
    O=C(O)CCOc1ccccc1    		 3-phenoxypropanoic acid
    40193 VVS
    CHEMBL4208002
    ZINC000210526771    		 1 C22 H30 N4 O InChI=1S/C22H30N4O/c1-21(
    2,3)14-22(4,5)19-10-17(12
    -25-8-6-23-15-25)20(27)18
    (11-19)13-26-9-7-24-16-26
    /h6-11,15-16,27H,12-14H2,
    1-5H3;
    PCIJWPBOCDNTJF-UHFFFAOYSA-N    		 CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)C
    n3ccnc3; n1ccn(c1)Cc2c(O)c(cc(c2)C(C)(C)
    CC(C)(C)C)Cn3ccnc3; CC(C)(C)CC(C)(C)c1cc
    (Cn2ccnc2)c(O)c(Cn3ccnc3)c1    		 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
    40194 VVT
    CHEMBL4646517
    ZINC000095909138    		 1 C15 H10 Cl N3 InChI=1S/C15H10ClN3/c16-1
    4-10-13(11-6-8-17-9-7-11)
    15(19-18-14)12-4-2-1-3-5-
    12/h1-10H;
    FHQYQYMBRPYWIY-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3; Clc2cc
    (c1ccncc1)c(nn2)c3ccccc3; Clc1cc(c2ccncc
    2)c(nn1)c3ccccc3    		 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine
    40195 VVU 5 C8 H16 O8 Rh2 InChI=1S/4C2H4O2.2Rh/c4*1
    -2(3)4;;/h4*2H,1H3;;/q4*-
    2;2*+6;
    XPFNQDMGXDTTDF-UHFFFAOYSA-N    		 CC1O[Rh+2]234OC(O[Rh+2]2(O1)(OC(O3)C)OC(
    O4)C)C; C[CH]1O[Rh++]234O[CH](C)O[Rh++]2
    (O1)(O[CH](C)O3)O[CH](C)O4; C[C@H]1O[Rh+
    +]234O[C@H](C)O[Rh++]2(O1)(O[C@H](C)O3)O
    [C@@H](C)O4    		 dirhodium (II) tetraacetate;
    Rhodium(II) acetate
    40196 VVV
    CHEMBL493181
    ZINC000040957356    		 4 C13 H15 N O4 InChI=1S/C13H15NO4/c1-7-5
    -10(15)14-12-8(16-2)6-9(1
    7-3)13(18-4)11(7)12/h5-6H
    ,1-4H3,(H,14,15);
    YRUICGVVPDTGCH-UHFFFAOYSA-N    		 CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC; COc1cc(O
    C)c(OC)c2C(=CC(=O)Nc12)C; O=C2C=C(c1c(OC
    )c(OC)cc(OC)c1N2)C    		 5,6,8-trimethoxy-4-methylquinolin-2(1H)-one
    40197 VVW 3 C32 H35 Cl2 N9 O6 InChI=1S/C32H35Cl2N9O6/c1
    -20(30-23(33)15-36-16-24(
    30)34)49-26-12-28(37-14-2
    2(26)13-35)39-32(46)40-31
    -27(48-10-7-42-5-8-47-9-6
    -42)11-21(25(19-44)38-31)
    17-43-4-3-41(2)18-29(43)4
    5/h11-12,14-16,19-20H,3-1
    0,17-18H2,1-2H3,(H2,37,38
    ,39,40,46)/t20-/m1/s1;
    AEFSLXKVONEDJJ-HXUWFJFHSA-N    		 CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)Nc
    3c(cc(c(n3)C=O)CN4CCN(CC4=O)C)OCCN5CCOCC
    5; C[C@H](c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)N
    C(=O)Nc3c(cc(c(n3)C=O)CN4CCN(CC4=O)C)OCC
    N5CCOCC5; C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)
    c(CN3CCN(C)CC3=O)cc2OCCN4CCOCC4)ncc1C#N)
    c5c(Cl)cncc5Cl; C[CH](Oc1cc(NC(=O)Nc2nc(
    C=O)c(CN3CCN(C)CC3=O)cc2OCCN4CCOCC4)ncc1
    C#N)c5c(Cl)cncc5Cl    		 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea
    40198 VVX
    CHEMBL2216859
    DB16253
    ZINC000095564436    		 1 C26 H28 N6 O InChI=1S/C26H28N6O/c1-17(
    2)32-10-8-31(9-11-32)16-1
    9-14-28-26(33-19)22-12-18
    (13-25-23(22)15-29-30-25)
    20-4-3-5-24-21(20)6-7-27-
    24/h3-7,12-15,17,27H,8-11
    ,16H2,1-2H3,(H,29,30);
    MCIDWGZGWVSZMK-UHFFFAOYSA-N    		 CC(C)N1CCN(CC1)Cc2oc(nc2)c3cc(cc4[nH]ncc
    34)c5cccc6[nH]ccc56; CC(C)N1CCN(CC1)Cc2c
    nc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6    		 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole
    40199 VVY
    CHEMBL1351238
    ZINC000000493235    		 1 C12 H15 N O2 InChI=1S/C12H15NO2/c14-12
    (13-8-4-5-9-13)10-15-11-6
    -2-1-3-7-11/h1-3,6-7H,4-5
    ,8-10H2;
    FYNNGWZCHCSIQA-UHFFFAOYSA-N    		 c1ccc(cc1)OCC(=O)N2CCCC2; O=C(COc1ccccc1
    )N2CCCC2; N1(CCCC1)C(=O)COc2ccccc2    		 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
    40200 VW0 1 C11 H20 N O11 P InChI=1S/C11H20NO11P/c1-4
    (10(15)16)22-9-7(12-5(2)1
    3)11(17)23-6(8(9)14)3-21-
    24(18,19)20/h4,6-9,11,14,
    17H,3H2,1-2H3,(H,12,13)(H
    ,15,16)(H2,18,19,20)/t4-,
    6-,7-,8-,9-,11+/m1/s1;
    NMEMTQKUEVNSPV-MDMHTWEWSA-N    		 C[C@@H](O[C@H]1[C@H](O)[C@@H](CO[P](O)(O
    )=O)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O; CC(C
    (=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)
    C; C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O
    )O[CH](O)[CH]1NC(C)=O)C(O)=O; C[C@H](C(=
    O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)
    COP(=O)(O)O)O)NC(=O)C    		 (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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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