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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
    44801 VLR 0 C45 H55 N6 O7 S2 InChI=1S/C45H54N6O7S2/c1-
    50-20-17-33(35-27-32(13-1
    6-37(35)50)31-11-14-34(55
    -2)15-12-31)28-43-51(38-7
    -3-4-8-39(38)60-43)29-42(
    53)47-19-22-57-24-26-58-2
    5-23-56-21-18-46-41(52)10
    -6-5-9-40-44-36(30-59-40)
    48-45(54)49-44/h3-4,7-8,1
    1-17,20,27-28,36,40,44H,5
    -6,9-10,18-19,21-26,29-30
    H2,1-2H3,(H3-,46,47,48,49
    ,52,53,54)/p+1/t36-,40-,4
    4+/m1/s1;
    WHIFPTXUSZXQNM-FPNRCKICSA-O    		 COc1ccc(cc1)c2ccc3N(C)C=CC(=C/c4sc5ccccc
    5[n+]4CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]6
    SC[C@H]7NC(=O)N[C@H]67)\c3c2; CN1C=CC(=C
    c2[n+](c3ccccc3s2)CC(=O)NCCOCCOCCOCCNC(=
    O)CCCCC4C5C(CS4)NC(=O)N5)c6c1ccc(c6)c7cc
    c(cc7)OC; CN1C=CC(=Cc2[n+](c3ccccc3s2)CC
    (=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]4[C@@H]5
    [C@@H](CS4)NC(=O)N5)c6c1ccc(c6)c7ccc(cc7
    )OC; O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O
    )C[n+]3c4ccccc4sc3/C=C3\C=CN(C)c4ccc(cc4
    3)c3ccc(OC)cc3)SCC2N1; COc1ccc(cc1)c2ccc
    3N(C)C=CC(=Cc4sc5ccccc5[n+]4CC(=O)NCCOCC
    OCCOCCNC(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]6
    7)c3c2    		 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
    44802 VLS
    ZINC000001587260    		 4 C6 H13 N O5 InChI=1S/C6H13NO5/c8-2-6(
    3-9,4-10)7-1-5(11)12/h7-1
    0H,1-4H2,(H,11,12);
    SEQKRHFRPICQDD-UHFFFAOYSA-N    		 C(C(=O)O)NC(CO)(CO)CO; C(CNC(CO)(CO)CO)(
    O)=O; OCC(CO)(CO)NCC(O)=O    		 N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
    44803 VLT
    ZINC000098209529    		 0 C11 H13 N O3 InChI=1S/C11H13NO3/c12-9(
    3-6-11(14)15)7-8-1-4-10(1
    3)5-2-8/h1-6,9,13H,7,12H2
    ,(H,14,15)/b6-3+/t9-/m1/s
    1;
    ZAFPASBXHDOXMD-BSPAPZMXSA-N    		 N[CH](Cc1ccc(O)cc1)C=CC(O)=O; c1cc(ccc1C
    C(C=CC(=O)O)N)O; N[C@@H](Cc1ccc(O)cc1)\C
    =C\C(O)=O; O=C(O)\C=C\C(N)Cc1ccc(O)cc1;
    c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O    		 (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
    44804 VLU 2 C24 H36 Cl N3 O8 S2 InChI=1S/C24H36ClN3O8S2/c
    1-14(2)10-18(28-23(32)36-
    13-24(3,4)37-17-7-5-6-16(
    25)12-17)21(30)27-19(22(3
    1)38(33,34)35)11-15-8-9-2
    6-20(15)29/h5-7,12,14-15,
    18-19,22,31H,8-11,13H2,1-
    4H3,(H,26,29)(H,27,30)(H,
    28,32)(H,33,34,35)/t15-,1
    8-,19-,22+/m0/s1;
    MOYGJNHMYWCTOO-SXTKRDDTSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC(C)(C)Sc2cccc(c2)Cl; CC(C)C[C
    @H](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[
    C@@H](C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=O)
    =O; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(Cl
    )c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](
    O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@
    @H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC
    (C)(C)Sc2cccc(c2)Cl; CC(C)CC(NC(=O)OCC(C
    )(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O
    )S(=O)(=O)O    		 (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    44805 VLV
    CHEMBL2069328
    ZINC000043169747    		 1 C20 H26 N4 O3 S InChI=1S/C20H26N4O3S/c1-1
    2-17(15-8-6-14(7-9-15)13(
    2)25)28-19(22-12)23-18(27
    )21-11-10-16(26)24-20(3,4
    )5/h6-9H,10-11H2,1-5H3,(H
    ,24,26)(H2,21,22,23,27);
    IUPXLLWDLOWEBR-UHFFFAOYSA-N    		 C(=O)(CCNC(Nc2nc(C)c(c1ccc(cc1)C(C)=O)s2
    )=O)NC(C)(C)C; Cc1c(sc(n1)NC(=O)NCCC(=O)
    NC(C)(C)C)c2ccc(cc2)C(=O)C; CC(=O)c1ccc(
    cc1)c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C    		 N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide
    44806 VLW
    CHEMBL5430500    		 1 C26 H30 N4 O InChI=1S/C26H30N4O/c1-28-
    13-15-29(16-14-28)21-5-8-
    23-19(17-21)18-24(30-12-1
    1-27-25(23)30)26(9-10-26)
    20-3-6-22(31-2)7-4-20/h3-
    8,17-18H,9-16H2,1-2H3;
    PAHRGUYMKQCNRV-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(C
    C5)c6ccc(cc6)OC; COc1ccc(cc1)C2(CC2)C3=C
    c4cc(ccc4C5=NCCN35)N6CCN(C)CC6    		 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
    44807 VLX
    CHEMBL607400
    DB05541
    ZINC000003979899    		 4 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c1-3-
    5-8-6-10(14)13(7-8)9(4-2)
    11(12)15/h8-9H,3-7H2,1-2H
    3,(H2,12,15)/t8-,9+/m1/s1;
    MSYKRHVOOPPJKU-BDAKNGLRSA-N    		 CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1; CCC[C
    @@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N; CCC[C@
    H]1CN([C@@H](CC)C(N)=O)C(=O)C1; CCCC1CC(
    =O)N(C1)C(CC)C(=O)N    		 (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide
    44808 VLY
    CHEMBL4876602    		 1 C20 H18 N4 O S InChI=1S/C20H18N4OS/c1-14
    (15-9-5-3-6-10-15)26-20-2
    2-18-17(13-21-23(18)2)19(
    25)24(20)16-11-7-4-8-12-1
    6/h3-14H,1-2H3/t14-/m1/s1;
    JNPNRKXZLIGUCT-CQSZACIVSA-N    		 C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4
    ccccc4; C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3
    ccccc3)c4ccccc4; CC(c1ccccc1)SC2=Nc3c(cn
    n3C)C(=O)N2c4ccccc4; C2(=O)N(c1ccccc1)C(
    =Nc3c2cnn3C)SC(C)c4ccccc4; C[CH](SC1=Nc2
    n(C)ncc2C(=O)N1c3ccccc3)c4ccccc4    		 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    44809 VLZ
    ZINC000085576165    		 1 C15 H30 O4 InChI=1S/C15H30O4/c1-2-3-
    4-5-6-7-8-9-10-11-15(18)1
    9-14(12-16)13-17/h14,16-1
    7H,2-13H2,1H3;
    ZUCMOZYYSZYRRM-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)OC(CO)CO; O(C(CO)CO)C(=O
    )CCCCCCCCCCC    		 1,3-dihydroxypropan-2-yl dodecanoate;
    2-lauroylglycerol
    44810 VM0 2 C24 H36 Cl N3 O8 S2 InChI=1S/C24H36ClN3O8S2/c
    1-14(2)10-18(28-23(32)36-
    13-24(3,4)37-17-7-5-6-16(
    25)12-17)21(30)27-19(22(3
    1)38(33,34)35)11-15-8-9-2
    6-20(15)29/h5-7,12,14-15,
    18-19,22,31H,8-11,13H2,1-
    4H3,(H,26,29)(H,27,30)(H,
    28,32)(H,33,34,35)/t15-,1
    8-,19-,22-/m0/s1;
    MOYGJNHMYWCTOO-BCSOYYNPSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC(C)(C)Sc2cccc(c2)Cl; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H]
    (O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)
    Cl; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(Cl
    )c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](
    O)(=O)=O; CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1
    cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)
    [C@@H](O)[S](O)(=O)=O; CC(C)CC(NC(=O)OCC
    (C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C
    (O)S(=O)(=O)O    		 (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    44811 VM1
    ZINC000000158696    		 2 C10 H7 N O2 S InChI=1S/C10H7NO2S/c12-10
    (13)8-4-7(5-11-6-8)9-2-1-
    3-14-9/h1-6H,(H,12,13);
    DFWKRZGYBOVSKW-UHFFFAOYSA-N    		 c1cc(sc1)c2cc(cnc2)C(=O)O; O=C(O)c2cncc(
    c1sccc1)c2; OC(=O)c1cncc(c1)c2sccc2    		 5-(2-thienyl)nicotinic acid;
    5-thiophen-2-ylpyridine-3-carboxylic acid;
    5-(thien-2-yl)nicotinic acid
    44812 VM2
    ZINC000095920860    		 2 C13 H25 N O4 InChI=1S/C13H25NO4/c15-7-
    9-10(12(17)13(18)11(9)16)
    14-6-8-4-2-1-3-5-8/h8-18H
    ,1-7H2/t9-,10+,11+,12-,13
    -/m0/s1;
    PETSRUBXPDOLKZ-QWQWKMKNSA-N    		 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H
    ]1NCC2CCCCC2; C1CCC(CC1)CNC2C(C(C(C2O)O)
    O)CO; C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C
    @@H]([C@H]2O)O)O)CO; OC[CH]1[CH](O)[CH](
    O)[CH](O)[CH]1NCC2CCCCC2; OC2C(NCC1CCCCC
    1)C(C(O)C2O)CO    		 (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
    44813 VM3 2 C20 H15 Cl N2 InChI=1S/C20H15ClN2/c21-1
    6-7-5-15(6-8-16)20(9-10-2
    0)18-13-14-3-1-2-4-17(14)
    19-22-11-12-23(18)19/h1-8
    ,11-13H,9-10H2;
    ASWUWXCCIBIVFW-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(n3c2ncc3)C4(CC4)c5ccc(cc5)
    Cl; Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn
    35    		 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline
    44814 VM4 1 C20 H18 N4 O2 S InChI=1S/C20H18N4O2S/c1-1
    3(14-7-6-10-16(25)11-14)2
    7-20-22-18-17(12-21-23(18
    )2)19(26)24(20)15-8-4-3-5
    -9-15/h3-13,25H,1-2H3/t13
    -/m1/s1;
    RTSMRTUJWIBZAN-CYBMUJFWSA-N    		 C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N
    2c4ccccc4; C[CH](SC1=Nc2n(C)ncc2C(=O)N1c
    3ccccc3)c4cccc(O)c4; O=C2N(c1ccccc1)C(=N
    c3c2cnn3C)SC(C)c4cc(ccc4)O; CC(c1cccc(c1
    )O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4; C[C@@
    H](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4cccc
    (O)c4    		 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    44815 VM5
    CHEMBL4438269
    DB18890
    ZINC000043172139    		 1 C21 H13 Br Cl2 F N3 O4 S InChI=1S/C21H13BrCl2FN3O4
    S/c22-16-3-1-12(20(25)21(
    16)32-14-6-11(10-26)5-13(
    23)8-14)7-19(29)28-18-4-2
    -15(9-17(18)24)33(27,30)3
    1/h1-6,8-9H,7H2,(H,28,29)
    (H2,27,30,31);
    SBUUICLVCQQMFP-UHFFFAOYSA-N    		 c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)Cc2ccc(c(c
    2F)Oc3cc(cc(c3)Cl)C#N)Br; N[S](=O)(=O)c1
    ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N
    )c2F)c(Cl)c1; Brc1ccc(CC(=O)Nc2ccc(cc2Cl
    )S(N)(=O)=O)c(F)c1Oc1cc(C#N)cc(Cl)c1    		 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
    44816 VM6 0 C31 H41 N2 O5 P InChI=1S/C31H41N2O5P/c1-3
    0(2)24-14-8-10-16-26(24)3
    2(20-12-22-34)28(30)18-6-
    5-7-19-29-31(3,4)25-15-9-
    11-17-27(25)33(29)21-13-2
    3-38-39(35,36)37/h5-6,8-1
    1,14-19,34H,7,12-13,20-23
    H2,1-4H3,(H2,35,36,37)/b6
    -5-,28-18+,29-19+;
    JZJHOUUCIMFVDB-LBWZNSRUSA-N    		 CC1(c2ccccc2N(C1=CCC=CC=C3C(c4ccccc4N3CC
    CO)(C)C)CCCOP(=O)(O)O)C; CC1(C)C(=CCC=CC
    =C2N(CCCO)c3ccccc3C2(C)C)N(CCCO[P](O)(O)
    =O)c4ccccc14; CC1(C)c2ccccc2N(CCCO)\C1=C
    \C=C/C\C=C1\N(CCCOP(=O)(O)O)c2ccccc2C1(C
    )C; CC\1(c2ccccc2N(/C1=C/C/C=C\C=C\3/C(c
    4ccccc4N3CCCO)(C)C)CCCOP(=O)(O)O)C; CC1(
    C)/C(=C\C\C=C/C=C2/N(CCCO)c3ccccc3C2(C)C
    )N(CCCO[P](O)(O)=O)c4ccccc14    		 3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphite
    44817 VM7
    CHEMBL4159633
    ZINC000065336921    		 2 C14 H12 O4 S InChI=1S/C14H12O4S/c1-19(
    17,18)13-7-3-5-11(9-13)10
    -4-2-6-12(8-10)14(15)16/h
    2-9H,1H3,(H,15,16);
    CRFKLEDBWMGUED-UHFFFAOYSA-N    		 CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O; C[
    S](=O)(=O)c1cccc(c1)c2cccc(c2)C(O)=O    		 3-(3-methylsulfonylphenyl)benzoic acid
    44818 VM8 2 C21 H20 N2 InChI=1S/C21H20N2/c1-21(2
    ,15-16-8-4-3-5-9-16)19-14
    -17-10-6-7-11-18(17)20-22
    -12-13-23(19)20/h3-14H,15
    H2,1-2H3;
    XLRFROIINIWWJO-UHFFFAOYSA-N    		 CC(C)(Cc1ccccc1)c2cc3ccccc3c4n2ccn4; CC(
    C)(Cc1ccccc1)c2cc3ccccc3c4nccn24    		 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
    44819 VM9 2 C29 H31 Cl F5 N7 O InChI=1S/C29H31ClF5N7O/c1
    -14-7-20(36)38-25(22(14)2
    9(33,34)35)21-19(30)8-18-
    24(23(21)32)39-27(40-26(1
    8)41-11-16-3-4-17(12-41)3
    7-16)43-13-28-5-2-6-42(28
    )10-15(31)9-28/h7-8,15-17
    ,37H,2-6,9-13H2,1H3,(H2,3
    6,38)/t15-,16-,17+,28+/m1
    /s1;
    YODMLRHFGATDGU-SBYGXYMLSA-N    		 Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N
    4C[C@H]5CC[C@@H](C4)N5)OC[C@@]67CCCN6C[C
    @@H](C7)F)Cl)N; Cc1cc(N)nc(c2c(Cl)cc3c(n
    c(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N6C[C
    @@H]7CC[C@H](C6)N7)c1C(F)(F)F; Cc1cc(N)n
    c(c2c(Cl)cc3c(nc(OC[C]45CCCN4C[CH](F)C5)
    nc3c2F)N6C[CH]7CC[CH](C6)N7)c1C(F)(F)F;
    Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N
    4CC5CCC(C4)N5)OCC67CCCN6CC(C7)F)Cl)N; FC
    1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3
    C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1    		 (6M)-6-(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)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
    44820 VMA 1 C19 H17 N5 O S InChI=1S/C19H17N5OS/c1-13
    (16-10-6-7-11-20-16)26-19
    -22-17-15(12-21-23(17)2)1
    8(25)24(19)14-8-4-3-5-9-1
    4/h3-13H,1-2H3/t13-/m1/s1;
    DFGGDGDTSVXBMC-CYBMUJFWSA-N    		 c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4
    ccccc4; C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C
    (=O)N2c4ccccc4; CC(c1ccccn1)SC2=Nc3c(cnn
    3C)C(=O)N2c4ccccc4; C[CH](SC1=Nc2n(C)ncc
    2C(=O)N1c3ccccc3)c4ccccn4; C[C@@H](SC1=N
    c2n(C)ncc2C(=O)N1c3ccccc3)c4ccccn4    		 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    44821 VMB
    CHEMBL5416566    		 2 C25 H20 F6 N2 O2 InChI=1S/C25H20F6N2O2/c1-
    33(2)23(35)21(16-6-5-7-18
    (14-16)25(29,30)31)32-22(
    34)20-9-4-3-8-19(20)15-10
    -12-17(13-11-15)24(26,27)
    28/h3-14,21H,1-2H3,(H,32,
    34)/t21-/m0/s1;
    XHKLRVAMXWYKMX-NRFANRHFSA-N    		 CN(C)C(=O)[C@@H](NC(=O)c1ccccc1c2ccc(cc2
    )C(F)(F)F)c3cccc(c3)C(F)(F)F; CN(C)C(=O)
    C(c1cccc(c1)C(F)(F)F)NC(=O)c2ccccc2c3ccc
    (cc3)C(F)(F)F; CN(C)C(=O)[CH](NC(=O)c1cc
    ccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)C(F)(F)
    F; CN(C)C(=O)[C@H](c1cccc(c1)C(F)(F)F)NC
    (=O)c2ccccc2c3ccc(cc3)C(F)(F)F; O=C(NC(c
    1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1ccccc1c1c
    cc(cc1)C(F)(F)F    		 N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
    44822 VMC
    ZINC000065536492    		 3 C23 H27 N3 O2 InChI=1S/C23H27N3O2/c1-25
    -13-6-9-19(25)12-14-26-16
    -24-22(17-7-4-3-5-8-17)23
    (26)18-10-11-20(27)21(15-
    18)28-2/h3-5,7-8,10-11,15
    -16,19,27H,6,9,12-14H2,1-
    2H3/t19-/m0/s1;
    YGPHAIXUDLLWHC-IBGZPJMESA-N    		 CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4
    ccccc4; COc1cc(ccc1O)c2n(CC[C@@H]3CCCN3C
    )cnc2c4ccccc4; COc1cc(ccc1O)c2n(CC[CH]3C
    CCN3C)cnc2c4ccccc4; CN1CCCC1CCn2cnc(c2c3
    ccc(c(c3)OC)O)c4ccccc4; Oc1c(OC)cc(cc1)c
    2n(cnc2c3ccccc3)CCC4N(CCC4)C    		 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
    44823 VMD 2 C20 H32 N6 O5 S InChI=1S/C20H32N6O5S/c1-1
    4-19(31-20(2,3)30-14)18(2
    7)12-22-9-4-10-26-13-16(2
    4-25-26)11-23-15-5-7-17(8
    -6-15)32(21,28)29/h5-8,13
    -14,18-19,22-23,27H,4,9-1
    2H2,1-3H3,(H2,21,28,29)/t
    14-,18-,19-/m1/s1;
    FIIMEVMRINWZGW-NIKGAXFTSA-N    		 CC1C(OC(O1)(C)C)C(CNCCCn2cc(nn2)CNc3ccc(
    cc3)S(=O)(=O)N)O; C[C@H]1OC(C)(C)O[C@H]1
    [C@H](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)
    =O)nn2; C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCC
    n2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2; C[C@@
    H]1[C@@H](OC(O1)(C)C)[C@@H](CNCCCn2cc(nn
    2)CNc3ccc(cc3)S(=O)(=O)N)O    		 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide
    44824 VME
    CHEMBL1209949
    ZINC000054954741    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-4(2)
    5(7)6(8)9-3/h4-5H,7H2,1-3
    H3/t5-/m0/s1;
    CEMZBWPSKYISTN-YFKPBYRVSA-N    		 CC(C)[C@@H](C(=O)OC)N; COC(=O)[CH](N)C(C
    )C; O=C(OC)C(N)C(C)C; COC(=O)[C@@H](N)C(
    C)C; CC(C)C(C(=O)OC)N    		 METHYL L-VALINATE;
    O-METHYLVALINE
    44825 VMF
    CHEMBL469844
    ZINC000005766623    		 4 C6 H13 N O4 InChI=1S/C6H13NO4/c8-1-3-
    5(10)6(11)4(2-9)7-3/h3-11
    H,1-2H2/t3-,4-,5-,6+/m1/s
    1;
    PFYHYHZGDNWFIF-KAZBKCHUSA-N    		 OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O; C(C1
    C(C(C(N1)CO)O)O)O; C([C@@H]1[C@H]([C@H](
    [C@H](N1)CO)O)O)O; OC[CH]1N[CH](CO)[CH](
    O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
    44826 VMG 1 C22 H22 N4 O2 S InChI=1S/C22H22N4O2S/c1-1
    5(17-6-4-3-5-7-17)29-22-2
    4-20-19(14-23-25(20)2)21(
    28)26(22)18-10-8-16(9-11-
    18)12-13-27/h3-11,14-15,2
    7H,12-13H2,1-2H3/t15-/m1/
    s1;
    ZYDLSTYFDFDODX-OAHLLOKOSA-N    		 C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccc(CCO)cc
    3)c4ccccc4; C[C@H](c1ccccc1)SC2=Nc3c(cnn
    3C)C(=O)N2c4ccc(cc4)CCO; O=C2c1cnn(c1N=C
    (N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C; CC(c1c
    cccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CC
    O; C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3ccc(C
    CO)cc3)c4ccccc4    		 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    44827 VMH
    CHEMBL5421826    		 2 C29 H24 F6 N4 O2 InChI=1S/C29H24F6N4O2/c1-
    38(2)27(41)25(19-5-4-6-21
    (15-19)29(33,34)35)37-26(
    40)23-16-18(24-13-14-36-3
    9(24)3)9-12-22(23)17-7-10
    -20(11-8-17)28(30,31)32/h
    4-16,25H,1-3H3,(H,37,40)/
    t25-/m0/s1;
    KNKLXKBJJSPVFJ-VWLOTQADSA-N    		 Cn1c(ccn1)c2ccc(c(c2)C(=O)NC(c3cccc(c3)C
    (F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F; C
    N(C)C(=O)[CH](NC(=O)c1cc(ccc1c2ccc(cc2)C
    (F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F; CN(
    C)C(=O)[C@@H](NC(=O)c1cc(ccc1c2ccc(cc2)C
    (F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F; Cn1
    nccc1c1cc(C(=O)NC(c2cccc(c2)C(F)(F)F)C(=
    O)N(C)C)c(cc1)c1ccc(cc1)C(F)(F)F; Cn1c(c
    cn1)c2ccc(c(c2)C(=O)N[C@@H](c3cccc(c3)C(
    F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F    		 (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
    44828 VMI 2 C18 H32 N4 O11 P3 S InChI=1S/C18H31N4O11P3S/c
    1-5-6-8-31-34(24,25)18(4,
    23)17-22(11-14-10-20-13(3
    )21-16(14)19)12(2)15(37-1
    7)7-9-32-36(29,30)33-35(2
    6,27)28/h10,23H,5-9,11H2,
    1-4H3,(H5-,19,20,21,24,25
    ,26,27,28,29,30)/p+1/t18-
    /m0/s1;
    KQPODQFTFSEDTF-SFHVURJKSA-O    		 CCCCO[P](O)(=O)[C](C)(O)c1sc(CCO[P](O)(=
    O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N; C
    CCCO[P](O)(=O)[C@](C)(O)c1sc(CCO[P](O)(=
    O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N; C
    CCCOP(=O)(C(C)(c1[n+](c(c(s1)CCOP(=O)(O)
    OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O; CCCCOP(=
    O)([C@@](C)(c1[n+](c(c(s1)CCOP(=O)(O)OP(
    =O)(O)O)C)Cc2cnc(nc2N)C)O)O    		 [(S)-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-butoxy-phosphinic acid
    44829 VMJ 1 C21 H20 N4 O2 S InChI=1S/C21H20N4O2S/c1-1
    4(16-6-4-3-5-7-16)28-21-2
    3-19-18(12-22-24(19)2)20(
    27)25(21)17-10-8-15(13-26
    )9-11-17/h3-12,14,26H,13H
    2,1-2H3/t14-/m1/s1;
    CXENUIKHQIZUDG-CQSZACIVSA-N    		 C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4
    ccc(cc4)CO; C[CH](SC1=Nc2n(C)ncc2C(=O)N1
    c3ccc(CO)cc3)c4ccccc4; CC(c1ccccc1)SC2=N
    c3c(cnn3C)C(=O)N2c4ccc(cc4)CO; C[C@@H](S
    C1=Nc2n(C)ncc2C(=O)N1c3ccc(CO)cc3)c4cccc
    c4; O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(
    C)c4ccccc4    		 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    44830 VMK
    CHEMBL4301324    		 1 C14 H14 F N InChI=1S/C14H14FN/c15-14-
    3-1-2-13(10-14)12-6-4-11(
    5-7-12)8-9-16/h1-7,10H,8-
    9,16H2;
    QQIZQBKKQAFAJV-UHFFFAOYSA-N    		 NCCc1ccc(cc1)c2cccc(F)c2; c1cc(cc(c1)F)c
    2ccc(cc2)CCN    		 2-[4-(3-fluorophenyl)phenyl]ethanamine
    44831 VML
    CHEMBL5434369    		 2 C24 H19 F6 N3 O2 InChI=1S/C24H19F6N3O2/c1-
    33(2)22(35)20(15-4-3-5-17
    (12-15)24(28,29)30)32-21(
    34)19-13-31-11-10-18(19)1
    4-6-8-16(9-7-14)23(25,26)
    27/h3-13,20H,1-2H3,(H,32,
    34)/t20-/m0/s1;
    ZMELGOOSPVFBKG-FQEVSTJZSA-N    		 CN(C)C(=O)[C@H](c1cccc(c1)C(F)(F)F)NC(=O
    )c2cnccc2c3ccc(cc3)C(F)(F)F; CN(C)C(=O)[
    CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3c
    ccc(c3)C(F)(F)F; CN(C)C(=O)C(c1cccc(c1)C
    (F)(F)F)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F
    ; CN(C)C(=O)[C@@H](NC(=O)c1cnccc1c2ccc(c
    c2)C(F)(F)F)c3cccc(c3)C(F)(F)F; O=C(NC(c
    1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1c
    cc(cc1)C(F)(F)F    		 N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    44832 VMM 1 C10 H16 N6 O7 S InChI=1S/C10H16N6O7S/c1-1
    1-9(13-19)8-7-5(3-12-15(7
    )2)6(4-16(8)10(17)18)14-2
    3-24(20,21)22/h3,6,8,14,1
    9H,4H2,1-2H3,(H,11,13)(H,
    17,18)(H,20,21,22)/t6-,8-
    /m0/s1;
    TVYRNFNEBLNAMJ-XPUUQOCRSA-N    		 CNC(=N/O)\[C@H]1N(C[C@H](NO[S](O)(=O)=O)
    c2cnn(C)c12)C(O)=O; CN/C(=N\O)/[C@@H]1c2
    c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O; CN
    C(=NO)[CH]1N(C[CH](NO[S](O)(=O)=O)c2cnn(
    C)c12)C(O)=O; c12cnn(C)c1C(C(\NC)=N\O)N(
    C(=O)O)CC2NOS(=O)(O)=O; CNC(=NO)C1c2c(cn
    n2C)C(CN1C(=O)O)NOS(=O)(=O)O    		 ETX0462 (Bound form);
    (4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
    44833 VMN 1 C12 H10 Cl N O2 InChI=1S/C12H10ClNO2/c13-
    10-3-1-9(2-4-10)8-14-6-5-
    11(15)7-12(14)16/h1-7,15H
    ,8H2;
    BQQOYSQBBQLOAB-UHFFFAOYSA-N    		 OC1=CC(=O)N(Cc2ccc(Cl)cc2)C=C1; Clc1ccc(
    cc1)CN1C=CC(O)=CC1=O; c1cc(ccc1CN2C=CC(=
    CC2=O)O)Cl    		 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one
    44834 VMO 2 C6 H13 N O3 InChI=1S/C6H13NO3/c1-7-2-
    5(9)6(10)4(7)3-8/h4-6,8-1
    0H,2-3H2,1H3/t4-,5-,6+/m1
    /s1;
    UBVOJPDDTVFNFJ-PBXRRBTRSA-N    		 CN1CC(C(C1CO)O)O; CN1C[C@H]([C@H]([C@H]1
    CO)O)O; CN1C[C@@H](O)[C@@H](O)[C@H]1CO;
    CN1C[CH](O)[CH](O)[CH]1CO    		 (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
    44835 VMP
    CHEMBL490001
    ZINC000045506153    		 2 C18 H20 N2 O7 InChI=1S/C18H20N2O7/c21-8
    -12-13(22)14(23)15(24)17(
    27-12)20-18(26)19-16(25)1
    1-6-5-9-3-1-2-4-10(9)7-11
    /h1-7,12-15,17,21-24H,8H2
    ,(H2,19,20,25,26)/t12-,13
    -,14+,15-,17-/m1/s1;
    CWTXJPICSREUOK-OWVAZHOYSA-N    		 OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3
    c2)[C@H](O)[C@@H](O)[C@@H]1O; O=C(NC1OC(
    C(O)C(O)C1O)CO)NC(=O)c3cc2ccccc2cc3; OC[
    CH]1O[CH](NC(=O)NC(=O)c2ccc3ccccc3c2)[CH
    ](O)[CH](O)[CH]1O; c1ccc2cc(ccc2c1)C(=O)
    NC(=O)NC3C(C(C(C(O3)CO)O)O)O; c1ccc2cc(c
    cc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@
    @H]([C@H](O3)CO)O)O)O    		 N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
    44836 VMQ
    CHEMBL5420013    		 2 C25 H18 F9 N3 O2 InChI=1S/C25H18F9N3O2/c1-
    37(2)22(39)20(14-9-16(24(
    29,30)31)11-17(10-14)25(3
    2,33)34)36-21(38)19-12-35
    -8-7-18(19)13-3-5-15(6-4-
    13)23(26,27)28/h3-12,20H,
    1-2H3,(H,36,38)/t20-/m0/s
    1;
    DCMIBXDFFZEPBX-FQEVSTJZSA-N    		 CN(C)C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F
    )NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F; CN(C)
    C(=O)[C@@H](NC(=O)c1cnccc1c2ccc(cc2)C(F)
    (F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F; CN(C)
    C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F
    )F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F; O=C(NC(
    c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C)
    c1cnccc1c1ccc(cc1)C(F)(F)F; CN(C)C(=O)[C
    @H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)c
    2cnccc2c3ccc(cc3)C(F)(F)F    		 N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    44837 VMR 1 C16 H15 Cl N2 O InChI=1S/C16H15ClN2O/c17-
    13-4-6-14(7-5-13)20-15-3-
    1-2-11(8-15)12-9-16(18)19
    -10-12/h1-8,12H,9-10H2,(H
    2,18,19)/t12-/m0/s1;
    YHXWMEXRFSXVKK-LBPRGKRZSA-N    		 Clc1ccc(Oc2cccc(c2)[C@@H]3CNC(=N)C3)cc1;
    c1cc(cc(c1)Oc2ccc(cc2)Cl)C3CC(=N)NC3; C
    lc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1; [H
    ]/N=C\1/C[C@@H](CN1)c2cccc(c2)Oc3ccc(cc3
    )Cl    		 (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine
    44838 VMS
    CHEMBL1163084
    ZINC000016051621    		 1 C15 H23 N7 O7 S InChI=1S/C15H23N7O7S/c1-6
    (2)8(16)14(25)21-30(26,27
    )28-3-7-10(23)11(24)15(29
    -7)22-5-20-9-12(17)18-4-1
    9-13(9)22/h4-8,10-11,15,2
    3-24H,3,16H2,1-2H3,(H,21,
    25)(H2,17,18,19)/t7-,8+,1
    0-,11-,15-/m1/s1;
    TXCZGHBHNXNXMA-CYUGOOACSA-N    		 CC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)O)N; O=C(NS(=O)(=O)OCC3OC(n2
    cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C; CC(C)[
    C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H
    ]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N; CC(C)[
    C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CC(C)[
    CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH]
    (O)[CH]1O)n2cnc3c(N)ncnc23    		 5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE
    44839 VMT
    CHEMBL476516
    ZINC000000406936    		 8 C8 H10 Br N InChI=1S/C8H10BrN/c9-8-3-
    1-7(2-4-8)5-6-10/h1-4H,5-
    6,10H2;
    ZSZCXAOQVBEPME-UHFFFAOYSA-N    		 NCCc1ccc(Br)cc1; c1cc(ccc1CCN)Br 2-(4-bromophenyl)ethanamine;
    4-Bromophenethylamine
    44840 VMV
    ZINC000040917430    		 1 C20 H25 N7 O5 InChI=1S/C20H25N7O5/c21-1
    7-16-13(26-20(22)27-17)6-
    5-12(24-16)9-23-11-3-1-10
    (2-4-11)18(30)25-14(19(31
    )32)7-8-15(28)29/h1-4,12,
    14,23-24H,5-9H2,(H,25,30)
    (H,28,29)(H,31,32)(H4,21,
    22,26,27)/t12-,14-/m0/s1;
    NJZPEYYRVZHUEO-JSGCOSHPSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@@H]2CCc3c(c(nc(n3)N)N)N2; Nc1nc(N)c2N
    [C@@H](CCc2n1)CNc3ccc(cc3)C(=O)N[C@@H](C
    CC(O)=O)C(O)=O; c1cc(ccc1C(=O)NC(CCC(=O)
    O)C(=O)O)NCC2CCc3c(c(nc(n3)N)N)N2; Nc1nc
    (N)c2N[CH](CCc2n1)CNc3ccc(cc3)C(=O)N[CH]
    (CCC(O)=O)C(O)=O; c2(N)nc3CCC(CNc1ccc(C(
    NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N    		 N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid
    44841 VMW
    CHEMBL5405635    		 2 C25 H21 F6 N3 O2 InChI=1S/C25H21F6N3O2/c1-
    14-10-16(12-18(11-14)25(2
    9,30)31)21(23(36)34(2)3)3
    3-22(35)20-13-32-9-8-19(2
    0)15-4-6-17(7-5-15)24(26,
    27)28/h4-13,21H,1-3H3,(H,
    33,35)/t21-/m0/s1;
    KPDNRBOZALCFHR-NRFANRHFSA-N    		 Cc1cc(cc(c1)C(F)(F)F)C(C(=O)N(C)C)NC(=O)
    c2cnccc2c3ccc(cc3)C(F)(F)F; CN(C)C(=O)[C
    H](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc
    (C)cc(c3)C(F)(F)F; CN(C)C(=O)[C@@H](NC(=
    O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc(C)cc(c
    3)C(F)(F)F; O=C(NC(c1cc(C)cc(c1)C(F)(F)F
    )C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F;
    Cc1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)N(C)C)N
    C(=O)c2cnccc2c3ccc(cc3)C(F)(F)F    		 N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    44842 VMX
    ZINC000058638696    		 3 C13 H21 N7 O5 S InChI=1S/C13H21N7O5S/c14-
    2-1-3-26(23,24)19-4-7-9(2
    1)10(22)13(25-7)20-6-18-8
    -11(15)16-5-17-12(8)20/h5
    -7,9-10,13,19,21-22H,1-4,
    14H2,(H2,15,16,17)/t7-,9-
    ,10-,13-/m1/s1;
    GCNSCCULRVBOML-QYVSTXNMSA-N    		 NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1
    O)n2cnc3c(N)ncnc23; NCCC[S](=O)(=O)NC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncn
    c23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@
    H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N; c1nc(
    c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)CCCN)
    O)O)N    		 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
    44843 VMY
    CHEMBL3088172
    ZINC000095921165    		 6 C18 H16 F2 N6 O S2 InChI=1S/C18H16F2N6OS2/c1
    -10-9-28-15(21-10)18(2,27
    )16-23-24-17(29-16)22-14-
    6-7-26(25-14)8-11-12(19)4
    -3-5-13(11)20/h3-7,9,27H,
    8H2,1-2H3,(H,22,24,25)/t1
    8-/m0/s1;
    UXRSVTXAGGLLHU-SFHVURJKSA-N    		 Cc1csc(n1)[C](C)(O)c2sc(Nc3ccn(Cc4c(F)cc
    cc4F)n3)nn2; Fc1cccc(F)c1Cn4nc(Nc2nnc(s2
    )C(O)(c3nc(cs3)C)C)cc4; Cc1csc(n1)[C@@](
    C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O; C
    c1csc(n1)C(C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cc
    cc4F)F)O; Cc1csc(n1)[C@](C)(O)c2sc(Nc3cc
    n(Cc4c(F)cccc4F)n3)nn2    		 (1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL
    44844 VMZ
    CHEMBL5397181    		 2 C27 H33 Cl N6 O InChI=1S/C27H33ClN6O/c1-1
    9(35)33-14-16-34(17-15-33
    )22-8-9-23-24(18-22)31-26
    (32-25(23)30-13-12-29)27(
    10-2-3-11-27)20-4-6-21(28
    )7-5-20/h4-9,18H,2-3,10-1
    7,29H2,1H3,(H,30,31,32);
    QNLFBABAPIXMQM-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4
    (CCCC4)c5ccc(Cl)cc5; CC(=O)N1CCN(CC1)c2c
    cc3c(c2)nc(nc3NCCN)C4(CCCC4)c5ccc(cc5)Cl    		 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone
    44845 VN0 2 C7 H16 N2 O3 InChI=1S/C7H16N2O3/c1-8-2
    -4-6(11)7(12)5(3-10)9-4/h
    4-12H,2-3H2,1H3/t4-,5-,6-
    ,7+/m1/s1;
    LPOCSFFEUYJDFL-GBNDHIKLSA-N    		 CNC[CH]1N[CH](CO)[CH](O)[CH]1O; CNC[C@H]
    1N[C@H](CO)[C@H](O)[C@@H]1O; CNCC1C(C(C(
    N1)CO)O)O; CNC[C@@H]1[C@H]([C@H]([C@H](N
    1)CO)O)O    		 (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol
    44846 VN1 8 C22 H33 N9 O2 InChI=1S/C22H33N9O2/c1-4-
    15(2)21(18-13-30(28-27-18
    )10-6-5-9-23)31-12-17(26-
    29-31)14-33-19-8-7-16(22(
    24)25)11-20(19)32-3/h7-8,
    11-13,15,21H,4-6,9-10,14,
    23H2,1-3H3,(H3,24,25)/t15
    -,21-/m0/s1;
    DNIWQYWTKVVYDZ-BTYIYWSLSA-N    		 CCC(C)C(c1cn(nn1)CCCCN)n2cc(nn2)COc3ccc(
    cc3OC)C(=N)N; [H]/N=C(\c1ccc(c(c1)OC)OCc
    2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC
    )/N; CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(
    cc(/C(N)=N)cc3)OC)CC; CC[C@H](C)[C@H](n1
    cc(COc2ccc(cc2OC)C(N)=N)nn1)c3cn(CCCCN)n
    n3; CC[CH](C)[CH](n1cc(COc2ccc(cc2OC)C(N
    )=N)nn1)c3cn(CCCCN)nn3    		 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
    44847 VN2 2 C34 H21 F9 N4 O2 InChI=1S/C34H21F9N4O2/c35
    -32(36,37)22-8-4-19(5-9-2
    2)25-12-14-44-17-27(25)30
    (48)47-29(21-2-1-3-24(16-
    21)34(41,42)43)31(49)46-2
    8-18-45-15-13-26(28)20-6-
    10-23(11-7-20)33(38,39)40
    /h1-18,29H,(H,46,49)(H,47
    ,48)/t29-/m0/s1;
    BXBAJPGXWPVCNU-LJAQVGFWSA-N    		 O=C(Nc1cnccc1c1ccc(cc1)C(F)(F)F)C(NC(=O)
    c1cnccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F
    )(F)F; c1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)N
    c2cnccc2c3ccc(cc3)C(F)(F)F)NC(=O)c4cnccc
    4c5ccc(cc5)C(F)(F)F; FC(F)(F)c1ccc(cc1)c
    2ccncc2NC(=O)[C@@H](NC(=O)c3cnccc3c4ccc(
    cc4)C(F)(F)F)c5cccc(c5)C(F)(F)F; c1cc(cc
    (c1)C(F)(F)F)C(C(=O)Nc2cnccc2c3ccc(cc3)C
    (F)(F)F)NC(=O)c4cnccc4c5ccc(cc5)C(F)(F)F
    ; FC(F)(F)c1ccc(cc1)c2ccncc2NC(=O)[CH](N
    C(=O)c3cnccc3c4ccc(cc4)C(F)(F)F)c5cccc(c
    5)C(F)(F)F    		 N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    44848 VN3 6 O3 V InChI=1S/3O.V/q;;;-1;
    YTVPPYMZCLYRBX-UHFFFAOYSA-N    		 O=[V-](=O)=O VANADATE ION;
    METAVANADATE
    44849 VN4 29 O3 V InChI=1S/3O.V/q;;-1;;
    ALTWGIIQPLQAAM-UHFFFAOYSA-N    		 [O-][V](=O)=O oxido(dioxo)vanadium
    44850 VN5
    CHEMBL5409735    		 1 C25 H32 N6 O InChI=1S/C25H32N6O/c1-30-
    13-15-31(16-14-30)19-5-8-
    21-22(17-19)28-24(29-23(2
    1)27-12-11-26)25(9-10-25)
    18-3-6-20(32-2)7-4-18/h3-
    8,17H,9-16,26H2,1-2H3,(H,
    27,28,29);
    XTLPTSDXAUSHCD-UHFFFAOYSA-N    		 COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3
    )N5CCN(C)CC5; CN1CCN(CC1)c2ccc3c(c2)nc(n
    c3NCCN)C4(CC4)c5ccc(cc5)OC    		 ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine
    44851 VN6 1 C30 H37 N9 O5 S2 InChI=1S/C30H37N9O5S2/c1-
    21-14-25(17-32)35-30(33-2
    1)38-10-12-39(13-11-38)46
    (43,44)26-7-5-24(6-8-26)3
    4-29(40)27-15-22(18-37-19
    -23(16-31)20-37)4-9-28(27
    )36(2)45(3,41)42/h4-9,14-
    15,23H,10-13,16,18-20,31H
    2,1-3H3,(H,34,40);
    YZXAAZBUIFNWLC-UHFFFAOYSA-N    		 CN(c1ccc(CN2CC(CN)C2)cc1C(=O)Nc3ccc(cc3)
    [S](=O)(=O)N4CCN(CC4)c5nc(C)cc(n5)C#N)[S
    ](C)(=O)=O; Cc1cc(nc(n1)N2CCN(CC2)S(=O)(
    =O)c3ccc(cc3)NC(=O)c4cc(ccc4N(C)S(=O)(=O
    )C)CN5CC(C5)CN)C#N    		 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
    44852 VN8 2 C23 H25 Cl2 N3 O2 InChI=1S/C23H25Cl2N3O2/c1
    -26-19-8-9-28(14-16-10-17
    (24)13-18(25)11-16)21(19)
    23(30)27(2)20(22(26)29)12
    -15-6-4-3-5-7-15/h3-7,10-
    11,13,19-21H,8-9,12,14H2,
    1-2H3/t19-,20+,21+/m1/s1;
    MWJQVEWYXAWYBM-HKBOAZHASA-N    		 CN1[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3)[C@@H]2C
    (=O)N(C)[C@@H](Cc4ccccc4)C1=O; CN1C2CCN(
    C2C(=O)N(C(C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)
    Cl)Cl; CN1[CH]2CCN(Cc3cc(Cl)cc(Cl)c3)[CH
    ]2C(=O)N(C)[CH](Cc4ccccc4)C1=O; Clc1cc(c
    c(Cl)c1)CN1CCC2N(C)C(=O)C(Cc3ccccc3)N(C)
    C(=O)C21; CN1[C@@H]2CCN([C@@H]2C(=O)N([C
    @H](C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)Cl)Cl    		 (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione
    44853 VN9
    CHEMBL388582
    ZINC000000164635    		 5 C9 H9 N O InChI=1S/C9H9NO/c11-9-6-5
    -7-3-1-2-4-8(7)10-9/h1-4H
    ,5-6H2,(H,10,11);
    TZOYXRMEFDYWDQ-UHFFFAOYSA-N    		 O=C1CCc2ccccc2N1; c1ccc2c(c1)CCC(=O)N2 3,4-dihydro-1~{H}-quinolin-2-one
    44854 VNB 2 C8 H18 N2 O3 InChI=1S/C8H18N2O3/c1-10(
    2)3-5-7(12)8(13)6(4-11)9-
    5/h5-9,11-13H,3-4H2,1-2H3
    /t5-,6-,7-,8+/m1/s1;
    UTJUIABWRUKQDR-XUTVFYLZSA-N    		 CN(C)C[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O
    ; CN(C)C[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
    ; CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O; CN(
    C)CC1C(C(C(N1)CO)O)O    		 (2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
    44855 VNC
    ZINC000006734240    		 1 C10 H13 N O4 S InChI=1S/C10H13NO4S/c1-11
    (8-10(12)15-2)16(13,14)9-
    6-4-3-5-7-9/h3-7H,8H2,1-2
    H3;
    LGGYBAUTKKAFGO-UHFFFAOYSA-N    		 O=S(=O)(N(C)CC(=O)OC)c1ccccc1; CN(CC(=O)
    OC)S(=O)(=O)c1ccccc1; COC(=O)CN(C)[S](=O
    )(=O)c1ccccc1    		 methyl N-(benzenesulfonyl)-N-methylglycinate
    44856 VND
    CHEMBL5190093    		 4 C11 H23 N O5 InChI=1S/C11H23NO5/c1-2-3
    -4-12-7-5-11(17,6-13)10(1
    6)9(15)8(7)14/h7-10,12-17
    H,2-6H2,1H3/t7-,8-,9+,10-
    ,11-/m0/s1;
    OSBGPDPUURWCPT-HHKYUTTNSA-N    		 CCCCN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)
    [C@H]1O; N(C1CC(C(C(C1O)O)O)(CO)O)CCCC;
    CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O
    )O)(CO)O; CCCCNC1CC(C(C(C1O)O)O)(CO)O; C
    CCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O    		 (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
    44857 VNE 1 C12 H11 N O2 InChI=1S/C12H11NO2/c1-15-
    11-6-4-5-10(9-11)12(14)13
    -7-2-3-8-13/h2-9H,1H3;
    ZOOZENPHQZOTKS-UHFFFAOYSA-N    		 COc1cccc(c1)C(=O)n2cccc2 (3-methoxyphenyl)-pyrrol-1-yl-methanone
    44858 VNF
    CHEMBL1236676
    ZINC000034629627    		 1 C24 H20 Cl N3 O InChI=1S/C24H20ClN3O/c25-
    22-12-10-19(11-13-22)18-6
    -8-21(9-7-18)24(29)27-23(
    16-28-15-14-26-17-28)20-4
    -2-1-3-5-20/h1-15,17,23H,
    16H2,(H,27,29)/t23-/m0/s1;
    CIFIVCCKVZFJFT-QHCPKHFHSA-N    		 c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3
    )c4ccc(cc4)Cl; Clc1ccc(cc1)c2ccc(cc2)C(=
    O)N[C@@H](Cn3ccnc3)c4ccccc4; c1ccc(cc1)C
    (Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl;
    Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc
    3)c4ccccc4    		 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
    44859 VNG 1 C15 H12 N4 O2 S InChI=1S/C15H12N4O2S/c20-
    15(9-1-2-9)18-13-7-10(5-6
    -16-13)11-3-4-12(22-11)14
    -17-8-21-19-14/h3-9H,1-2H
    2,(H,16,18,20);
    MRPLZYZSVZVELT-UHFFFAOYSA-N    		 O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4; c
    1cc(sc1c2ccnc(c2)NC(=O)C3CC3)c4ncon4    		 N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
    44860 VNI
    CHEMBL1236677
    ZINC000058655680    		 6 C26 H19 Cl2 N5 O2 InChI=1S/C26H19Cl2N5O2/c2
    7-20-10-11-21(22(28)14-20
    )23(15-33-13-12-29-16-33)
    30-24(34)17-6-8-19(9-7-17
    )26-32-31-25(35-26)18-4-2
    -1-3-5-18/h1-14,16,23H,15
    H2,(H,30,34)/t23-/m0/s1;
    CJPLMXOWZZCYHJ-QHCPKHFHSA-N    		 c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4
    ccnc4)c5ccc(cc5Cl)Cl; Clc1ccc([CH](Cn2cc
    nc2)NC(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(
    Cl)c1; c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O
    )N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl; Clc1cc
    c([C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4oc(nn
    4)c5ccccc5)c(Cl)c1; Clc1ccc(c(Cl)c1)C(NC
    (=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ccnc5    		 N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
    44861 VNJ
    CHEMBL2251601
    ZINC000000164490    		 2 C8 H9 N O InChI=1S/C8H9NO/c1-6(10)7
    -4-2-3-5-8(7)9/h2-5H,9H2,
    1H3;
    GTDQGKWDWVUKTI-UHFFFAOYSA-N    		 O=C(c1ccccc1N)C; CC(=O)c1ccccc1N 2-aminoacetophenone
    44862 VNK
    ZINC000098209530    		 6 C27 H52 N4 O5 InChI=1S/C27H52N4O5/c1-10
    -11-12-13-22(32)30-24(18(
    4)5)27(36)28-20(14-15-23(
    33)31(8)9)26(35)29-21(16-
    17(2)3)25(34)19(6)7/h17-2
    1,24-25,34H,10-16H2,1-9H3
    ,(H,28,36)(H,29,35)(H,30,
    32)/t20-,21-,24-,25-/m0/s
    1;
    NHNWMUWCUHYJIR-NBMBROAQSA-N    		 CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC
    (=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C
    (C)C; CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@
    H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H
    ](C(C)C)O; CCCCCC(=O)N[CH](C(C)C)C(=O)N[
    CH](CCC(=O)N(C)C)C(=O)N[CH](CC(C)C)[CH](
    O)C(C)C; CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(
    =O)N(C)C)C(=O)NC(CC(C)C)C(C(C)C)O; O=C(N
    C(CC(C)C)C(O)C(C)C)C(NC(=O)C(NC(=O)CCCCC
    )C(C)C)CCC(=O)N(C)C    		 N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide;
    vinylketone carmaphycin analogue VNK1, double bound form
    44863 VNL
    DB02130    		 42 C8 H7 O4 InChI=1S/C8H8O4/c1-12-7-4
    -5(8(10)11)2-3-6(7)9/h2-4
    ,9H,1H3,(H,10,11)/p-1;
    WKOLLVMJNQIZCI-UHFFFAOYSA-M    		 [O-]C(=O)c1cc(OC)c(O)cc1; COc1cc(ccc1O)C
    (=O)[O-]; COc1cc(ccc1O)C([O-])=O    		 4-HYDROXY-3-METHOXYBENZOATE;
    vanillate
    44864 VNM 1 C30 H38 N9 O13 P InChI=1S/C30H38N9O13P/c31
    -25-24-18(35-29(32)36-25)
    6-5-17(10-33-16-3-1-14(2-
    4-16)26(43)34-19(28(45)46
    )7-8-23(41)42)38(24)11-15
    -12-39(30(47)37-27(15)44)
    22-9-20(40)21(52-22)13-51
    -53(48,49)50/h1-4,12,17,1
    9-22,33,40H,5-11,13H2,(H,
    34,43)(H,41,42)(H,45,46)(
    H,37,44,47)(H2,48,49,50)(
    H4,31,32,35,36)/t17-,19-,
    20-,21+,22+/m0/s1;
    OYTZJQBUPHBEFY-GLOJMNGXSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)N
    C4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)
    O; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2
    CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)C5
    CC(C(O5)COP(=O)(O)O)O; C1(=O)N(C=C(C(N1)
    =O)CN2c4c(N)nc(nc4CCC2CNc3ccc(C(NC(C(=O)
    O)CCC(O)=O)=O)cc3)N)C5CC(O)C(COP(O)(=O)O
    )O5; Nc1nc(N)c2N(CC3=CN([CH]4C[CH](O)[CH
    ](CO[P](O)(O)=O)O4)C(=O)NC3=O)[CH](CCc2n
    1)CNc5ccc(cc5)C(=O)N[CH](CCC(O)=O)C(O)=O
    ; Nc1nc(N)c2N(CC3=CN([C@H]4C[C@H](O)[C@@
    H](CO[P](O)(O)=O)O4)C(=O)NC3=O)[C@@H](CC
    c2n1)CNc5ccc(cc5)C(=O)N[C@@H](CCC(O)=O)C
    (O)=O    		 (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
    44865 VNN
    ZINC000016580790    		 2 C11 H16 N2 O S InChI=1S/C11H16N2OS/c1-9-
    7-10(8-15-9)11(14)13-5-3-
    12(2)4-6-13/h7-8H,3-6H2,1
    -2H3;
    SXUGOFSFLSCLEM-UHFFFAOYSA-N    		 Cc1cc(cs1)C(=O)N1CCN(C)CC1; Cc1cc(cs1)C(
    =O)N2CCN(CC2)C; CN1CCN(CC1)C(=O)c2csc(C)
    c2    		 (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
    44866 VNO 2 C8 H18 N2 O3 S InChI=1S/C8H18N2O3S/c1-5-
    14(12,13)7-6-10(4)8(11)9(
    2)3/h5-7H2,1-4H3;
    UOXRWMXCKRZTCY-UHFFFAOYSA-N    		 CC[S](=O)(=O)CCN(C)C(=O)N(C)C; CCS(=O)(=
    O)CCN(C)C(=O)N(C)C    		 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea
    44867 VNP
    ZINC000036470935    		 4 C12 H20 N5 O6 P2 S InChI=1S/C12H19N5O6P2S/c1
    -8-11(3-4-23-25(21,22)16-
    24(18,19)20)26-7-17(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,7H,3-4,6H2,1-2H3,(H5-,13
    ,14,15,16,18,19,20,21,22)
    /p+1;
    LWNISHVQCROCTL-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2csc(CCO[P@](O)(=O)N[P](O)(O
    )=O)c2C)c(N)n1; Cc1ncc(C[n+]2csc(CCO[P](
    O)(=O)N[P](O)(O)=O)c2C)c(N)n1; Cc1c(sc[n
    +]1Cc2cnc(nc2N)C)CCOP(=O)(NP(=O)(O)O)O;
    O=P(O)(O)NP(=O)(O)OCCc1sc[n+](c1C)Cc2c(n
    c(nc2)C)N; Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
    [P@](=O)(NP(=O)(O)O)O    		 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I UM;
    THIAMIN-PNP;
    [2-[3-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YL)METHYL]-4-METHYL-1-THIA-3-AZON IACYCLOPENTA-2,4-DIEN-5-YL]ETHOXY-HYDROXY-PHOSPHORYL]AMINOPHOSPHONIC ACID
    44868 VNQ 2 C7 H15 N O4 InChI=1S/C7H15NO4/c1-8-4(
    2-9)6(11)7(12)5(8)3-10/h4
    -7,9-12H,2-3H2,1H3/t4-,5-
    ,6-,7+/m1/s1;
    YWBPEHFIHKFMMC-GBNDHIKLSA-N    		 CN1C(C(C(C1CO)O)O)CO; CN1[C@H](CO)[C@H](
    O)[C@H](O)[C@H]1CO; CN1[C@@H]([C@H]([C@H
    ]([C@H]1CO)O)O)CO; CN1[CH](CO)[CH](O)[CH
    ](O)[CH]1CO    		 (2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
    44869 VNR
    ZINC000098209531    		 4 C23 H35 N4 O16 P3 InChI=1S/C23H35N4O16P3/c1
    -4-14(5-6-41-46(39,40)43-
    45(36,37)38)9-23-20(24-22
    (32)25-21(23)31)27(16-8-1
    3(3)12(2)7-15(16)26-23)10
    -17(28)19(30)18(29)11-42-
    44(33,34)35/h4,7-8,17-19,
    26,28-30H,5-6,9-11H2,1-3H
    3,(H,39,40)(H,25,31,32)(H
    2,33,34,35)(H2,36,37,38)/
    b14-4+/t17-,18+,19-,23+/m
    0/s1;
    OAOWJIIZSRFUAL-QCJQWHCGSA-N    		 CC=C(CCOP(=O)(O)OP(=O)(O)O)CC12C(=O)NC(=
    O)N=C1N(c3cc(c(cc3N2)C)C)CC(C(C(COP(=O)(
    O)O)O)O)O; CC=C(CCO[P](O)(=O)O[P](O)(O)=
    O)C[C]12Nc3cc(C)c(C)cc3N(C[CH](O)[CH](O)
    [CH](O)CO[P](O)(O)=O)C1=NC(=O)NC2=O; C/C
    =C(CCO[P](O)(=O)O[P](O)(O)=O)/C[C@@]12Nc
    3cc(C)c(C)cc3N(C[C@H](O)[C@H](O)[C@H](O)
    CO[P](O)(O)=O)C1=NC(=O)NC2=O; O=P(O)(O)O
    CC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(
    c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)
    O; C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@
    ]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C
    @@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O    		 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
    44870 VNS 19 C31 H29 F N4 O3 S InChI=1S/C31H29FN4O3S/c1-
    35-13-10-21(11-14-35)19-2
    -4-20(5-3-19)22-6-7-23-18
    -36(30(39)25(23)16-22)28(
    26-17-24(32)8-9-27(26)37)
    29(38)34-31-33-12-15-40-3
    1/h2-9,12,15-17,21,28,37H
    ,10-11,13-14,18H2,1H3,(H,
    33,34,38)/t28-/m1/s1;
    SYTVDTWRIZNVEW-MUUNZHRXSA-N    		 CN1CCC(CC1)c2ccc(cc2)c3ccc4CN([C@@H](C(=
    O)Nc5sccn5)c6cc(F)ccc6O)C(=O)c4c3; O=C(N
    c1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4
    ccc(cc4)C5CCN(C)CC5)C6)=O; CN1CCC(CC1)c2
    ccc(cc2)c3ccc4CN([CH](C(=O)Nc5sccn5)c6cc
    (F)ccc6O)C(=O)c4c3; CN1CCC(CC1)c2ccc(cc2
    )c3ccc4c(c3)C(=O)N(C4)C(c5cc(ccc5O)F)C(=
    O)Nc6nccs6; CN1CCC(CC1)c2ccc(cc2)c3ccc4c
    (c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc
    6nccs6    		 (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
    44871 VNT
    ZINC000098209532    		 4 C25 H18 Cl2 N6 O2 InChI=1S/C25H18Cl2N6O2/c2
    6-19-10-11-20(21(27)12-19
    )22(13-33-15-28-14-29-33)
    30-23(34)16-6-8-18(9-7-16
    )25-32-31-24(35-25)17-4-2
    -1-3-5-17/h1-12,14-15,22H
    ,13H2,(H,30,34)/t22-/m0/s
    1;
    KSMSKLCCSVEWDM-QFIPXVFZSA-N    		 Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c
    3ccccc3)cc4)Cn5ncnc5; c1ccc(cc1)c2nnc(o2
    )c3ccc(cc3)C(=O)NC(Cn4cncn4)c5ccc(cc5Cl)
    Cl; c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[
    C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl; Clc1ccc([
    CH](Cn2cncn2)NC(=O)c3ccc(cc3)c4oc(nn4)c5
    ccccc5)c(Cl)c1; Clc1ccc([C@H](Cn2cncn2)N
    C(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(Cl)c1    		 N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
    44872 VNU 2 C12 H16 N2 O InChI=1S/C12H16N2O/c13-9-
    11(15)14-12(7-4-8-12)10-5
    -2-1-3-6-10/h1-3,5-6H,4,7
    -9,13H2,(H,14,15);
    NFWJLHQGYPHNHW-UHFFFAOYSA-N    		 c1ccc(cc1)C2(CCC2)NC(=O)CN; O=C(NC1(CCC1
    )c1ccccc1)CN; NCC(=O)NC1(CCC1)c2ccccc2    		 N-(1-phenylcyclobutyl)glycinamide
    44873 VNV
    ZINC000000333972    		 4 C9 H8 N2 O InChI=1S/C9H8N2O/c10-9-6-
    8(11-12-9)7-4-2-1-3-5-7/h
    1-6H,10H2;
    HLOHVVZZMMMDMM-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(on2)N; Nc1onc(c1)c2ccccc2 3-phenyl-1,2-oxazol-5-amine
    44874 VNW 0 C11 H10 N2 O2 Se InChI=1S/C11H10N2O2Se/c1-
    16-9-5-8(11(14)15)13-10-6
    (9)3-2-4-7(10)12/h2-5H,12
    H2,1H3,(H,14,15);
    XNDKSZNZLHRFIR-UHFFFAOYSA-N    		 C[Se]c1cc(nc2c(N)cccc12)C(O)=O; C[Se]c1c
    c(nc2c1cccc2N)C(=O)O    		 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
    44875 VNX
    ZINC000002559289    		 1 C4 H6 N4 InChI=1S/C4H6N4/c1-2-3(1)
    4-5-7-8-6-4/h3H,1-2H2,(H,
    5,6,7,8);
    JOMBXHCJYIMCPC-UHFFFAOYSA-N    		 C1CC1c2n[nH]nn2; C1CC1c1n[NH]nn1 5-cyclopropyl-2H-tetrazole
    44876 VNY
    ZINC000584905731    		 1 C21 H24 O5 InChI=1S/C21H24O5/c1-13(1
    1-17-19(23)21(25)20(24)18
    (12-22)26-17)14-7-9-16(10
    -8-14)15-5-3-2-4-6-15/h2-
    11,17-25H,12H2,1H3/b13-11
    +/t17-,18-,19-,20-,21-/m1
    /s1;
    CZOUTUOSDBYBBC-OBPXZMPXSA-N    		 C\C(=C/[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)
    [C@@H]1O)c2ccc(cc2)c3ccccc3; C/C(=C\[C@@
    H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)
    /c2ccc(cc2)c3ccccc3; CC(=C[CH]1O[CH](CO)
    [CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3;
    CC(=CC1C(C(C(C(O1)CO)O)O)O)c2ccc(cc2)c3
    ccccc3    		 PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE
    44877 VNZ
    CHEMBL471737
    DB09083
    ZINC000003805768    		 6 C27 H36 N2 O5 InChI=1S/C27H36N2O5/c1-28
    (17-21-11-20-14-25(33-4)2
    6(34-5)16-22(20)21)8-6-9-
    29-10-7-18-12-23(31-2)24(
    32-3)13-19(18)15-27(29)30
    /h12-14,16,21H,6-11,15,17
    H2,1-5H3/t21-/m1/s1;
    ACRHBAYQBXXRTO-OAQYLSRUSA-N    		 CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)C[C@H]3C
    c4c3cc(c(c4)OC)OC; COc1cc2CCN(CCCN(C)C[C
    @H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC; CO
    c1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34
    )C(=O)Cc2cc1OC; CN(CCCN1CCc2cc(c(cc2CC1=
    O)OC)OC)CC3Cc4c3cc(c(c4)OC)OC    		 Ivabradine;
    3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;
    3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
    44878 VO0 2 C7 H16 N2 O3 InChI=1S/C7H16N2O3/c1-9-4
    (2-8)6(11)7(12)5(9)3-10/h
    4-7,10-12H,2-3,8H2,1H3/t4
    -,5-,6-,7+/m1/s1;
    NUCGMCIENZGSKH-GBNDHIKLSA-N    		 CN1[C@H](CN)[C@@H](O)[C@@H](O)[C@H]1CO;
    CN1C(C(C(C1CO)O)O)CN; CN1[C@@H]([C@H]([C
    @H]([C@H]1CO)O)O)CN; CN1[CH](CN)[CH](O)[
    CH](O)[CH]1CO    		 (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
    44879 VO1
    CHEMBL2430868
    ZINC000095081166    		 1 C16 H15 N3 O S InChI=1S/C16H15N3OS/c1-12
    -11-21-16(18-12)19-15-14(
    8-5-9-17-15)20-10-13-6-3-
    2-4-7-13/h2-9,11H,10H2,1H
    3,(H,17,18,19);
    LPJWCRSWBACCSH-UHFFFAOYSA-N    		 Cc1csc(Nc2ncccc2OCc3ccccc3)n1; n2cccc(OC
    c1ccccc1)c2Nc3nc(cs3)C; Cc1csc(n1)Nc2c(c
    ccn2)OCc3ccccc3    		 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
    44880 VO2
    CHEMBL2430855
    ZINC000095921074    		 1 C17 H17 N3 O S InChI=1S/C17H17N3OS/c1-12
    -8-15(21-10-14-6-4-3-5-7-
    14)16(18-9-12)20-17-19-13
    (2)11-22-17/h3-9,11H,10H2
    ,1-2H3,(H,18,19,20);
    QFOFZZJJRFMLKB-UHFFFAOYSA-N    		 n2cc(cc(OCc1ccccc1)c2Nc3nc(cs3)C)C; Cc1c
    nc(Nc2scc(C)n2)c(OCc3ccccc3)c1; Cc1cc(c(
    nc1)Nc2nc(cs2)C)OCc3ccccc3    		 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
    44881 VO3 1 O13 V4 InChI=1S/13O.4V/q;;;;;;;6
    *-1;;;;;
    JXIADNYSXBZKBU-UHFFFAOYSA-N    		 [O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)(
    [O-])O[V](=O)([O-])[O-]; [O-][V]([O-])(=
    O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])
    ([O-])=O    		 TETRAMETAVANADATE
    44882 VO4 106 O4 V InChI=1S/4O.V/q;3*-1;;
    LSGOVYNHVSXFFJ-UHFFFAOYSA-N    		 [O-][V]([O-])([O-])=O; [O-][V](=O)([O-])
    [O-]    		 VANADATE ION
    44883 VO5
    ZINC000037022059    		 2 C9 H13 N O3 S InChI=1S/C9H13NO3S/c1-3-1
    0-14(11,12)9-7-5-4-6-8(9)
    13-2/h4-7,10H,3H2,1-2H3;
    WLSLKKLIABBOLC-UHFFFAOYSA-N    		 CCNS(=O)(=O)c1ccccc1OC; O=S(=O)(NCC)c1cc
    ccc1OC; CCN[S](=O)(=O)c1ccccc1OC    		 N-ethyl-2-methoxybenzene-1-sulfonamide
    44884 VO6 1 C12 H15 As N6 O S2 InChI=1S/C12H15AsN6OS2/c1
    4-10-17-11(15)19-12(18-10
    )16-8-3-1-7(2-4-8)13-21-6
    -9(5-20)22-13/h1-4,9,20H,
    5-6H2,(H5,14,15,16,17,18,
    19)/t9-,13+/m0/s1;
    JCYZMTMYPZHVBF-TVQRCGJNSA-N    		 c1cc(ccc1Nc2nc(nc(n2)N)N)[As@@]3SC[C@@H]
    (S3)CO; Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH
    ](CO)S3)n1; Nc1nc(N)nc(Nc2ccc(cc2)[As@@]
    3SC[C@H](CO)S3)n1; c1cc(ccc1Nc2nc(nc(n2)
    N)N)[As]3SCC(S3)CO    		 [(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
    44885 VO7
    CHEMBL3353411
    ZINC000147059673    		 5 C27 H31 N7 O2 InChI=1S/C27H31N7O2/c1-6-
    26(35)30-22-15-23(25(36-5
    )16-24(22)34(4)14-13-33(2
    )3)32-27-28-12-11-21(31-2
    7)19-17-29-20-10-8-7-9-18
    (19)20/h6-12,15-17,29H,1,
    13-14H2,2-5H3,(H,30,35)(H
    ,28,31,32);
    IQNVEOMHJHBNHC-UHFFFAOYSA-N    		 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc
    c(n2)c3c[nH]c4ccccc34; CN(C)CCN(C)c1cc(c
    (cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc
    4)OC; c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c
    3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C    		 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide;
    AZ5104
    44886 VO8 1 C29 H23 N3 O4 InChI=1S/C29H23N3O4/c1-2-
    28(33)32-24-10-4-3-9-23(2
    4)31(29(32)34)16-17-35-26
    -11-5-6-12-27(26)36-25-13
    -7-8-21-18-20(19-30)14-15
    -22(21)25/h3-15,18H,2,16-
    17H2,1H3;
    LHEUAVBYYKCINL-UHFFFAOYSA-N    		 CCC(=O)N1c2ccccc2N(C1=O)CCOc3ccccc3Oc4cc
    cc5c4ccc(c5)C#N; N#Cc1ccc2c(c1)cccc2Oc1c
    cccc1OCCN1c2ccccc2N(C(=O)CC)C1=O; CCC(=O
    )N1C(=O)N(CCOc2ccccc2Oc3cccc4cc(ccc34)C#
    N)c5ccccc15    		 5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
    44887 VO9
    ZINC000036129980    		 2 C10 H13 N O2 S InChI=1S/C10H13NO2S/c12-6
    -5-11(8-3-4-8)10(13)9-2-1
    -7-14-9/h1-2,7-8,12H,3-6H
    2;
    SOFDWZUMJONKNV-UHFFFAOYSA-N    		 c1cc(sc1)C(=O)N(CCO)C2CC2; O=C(N(CCO)C1C
    C1)c1cccs1; OCCN(C1CC1)C(=O)c2sccc2    		 N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
    44888 VOA 20 C20 H19 Cl N4 O2 InChI=1S/C20H19ClN4O2/c1-
    12(20(26)25-15-3-5-19(21)
    23-10-15)24-14-2-4-18-17(
    8-14)16-6-7-27-11-13(16)9
    -22-18/h2-5,8-10,12,24H,6
    -7,11H2,1H3,(H,25,26)/t12
    -/m0/s1;
    KABILIUXKOMPNU-LBPRGKRZSA-N    		 CC(C(=O)Nc1ccc(nc1)Cl)Nc2ccc3c(c2)c4c(cn
    3)COCC4; C[C@@H](C(=O)Nc1ccc(nc1)Cl)Nc2c
    cc3c(c2)c4c(cn3)COCC4; C[CH](Nc1ccc2ncc3
    COCCc3c2c1)C(=O)Nc4ccc(Cl)nc4; Clc1ccc(c
    n1)NC(=O)C(C)Nc1cc2c3CCOCc3cnc2cc1; C[C@
    H](Nc1ccc2ncc3COCCc3c2c1)C(=O)Nc4ccc(Cl)
    nc4    		 N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
    44889 VOB 1 C12 H18 N2 O3 InChI=1S/C12H18N2O3/c1-3-
    13(4-2)9-10-17-12-7-5-11(
    6-8-12)14(15)16/h5-8H,3-4
    ,9-10H2,1-2H3/q+4;
    WUOVDRBJVQQBFM-UHFFFAOYSA-N    		 CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
    44890 VOC
    CHEMBL5597334    		 1 C16 H16 N4 O2 InChI=1S/C16H16N4O2/c1-2-
    10-4-3-5-11-14(10)18-19-1
    5(11)16(21)20-7-6-13-12(8
    -20)17-9-22-13/h3-5,9H,2,
    6-8H2,1H3,(H,18,19);
    JCOAMLYFOYJAMQ-UHFFFAOYSA-N    		 CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3;
    CCc1cccc2c1n[nH]c2C(=O)N3CCc4c(nco4)C3    		 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone
    44891 VOD 1 C9 H10 O3 S InChI=1S/C9H10O3S/c1-2-8-
    3-5-9(6-4-8)7-13(10,11)12
    /h2-6H,1,7H2,(H,10,11,12);
    SDXKWPVFZWZYNK-UHFFFAOYSA-N    		 O=S(=O)(O)Cc1ccc(cc1)\C=C; C=Cc1ccc(cc1)
    CS(=O)(=O)O; O[S](=O)(=O)Cc1ccc(C=C)cc1    		 (4-VINYLPHENYL)METHANESULFONIC ACID
    44892 VOE
    ZINC000001598924    		 1 C10 H15 N InChI=1S/C10H15N/c1-2-9(8
    -11)10-6-4-3-5-7-10/h3-7,
    9H,2,8,11H2,1H3/t9-/m0/s1;
    PLWALTDUYKDGRF-VIFPVBQESA-N    		 CC[C@@H](CN)c1ccccc1; NCC(CC)c1ccccc1; C
    C[CH](CN)c1ccccc1; CCC(CN)c1ccccc1    		 (2R)-2-phenylbutan-1-amine
    44893 VOF 1 C10 H8 F2 N3 O InChI=1S/C10H8F2N3O/c11-1
    0(15-7-14(12)6-13-15)9(16
    )8-4-2-1-3-5-8/h1-7,10H/t
    10-/m0/s1;
    RVNIFDQWHFAHJY-JTQLQIEISA-N    		 F[CH](n1c[n](F)cn1)C(=O)c2ccccc2; c1ccc(
    cc1)C(=O)[C@H](N2C=[N](C=N2)F)F; F[C@@H]
    (n1c[n](F)cn1)C(=O)c2ccccc2; c1ccc(cc1)C
    (=O)C(N2C=[N](C=N2)F)F    		 (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
    44894 VOG
    CHEMBL476960
    DB04878
    ZINC000003788703    		 4 C10 H21 N O7 InChI=1S/C10H21NO7/c12-2-
    5(3-13)11-6-1-10(18,4-14)
    9(17)8(16)7(6)15/h5-9,11-
    18H,1-4H2/t6-,7-,8+,9-,10
    -/m0/s1;
    FZNCGRZWXLXZSZ-CIQUZCHMSA-N    		 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H]
    (O)[C@H]1O; C1C(C(C(C(C1(CO)O)O)O)O)NC(C
    O)CO; C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1
    (CO)O)O)O)O)NC(CO)CO; C1(CC(C(C(C1O)O)O)
    NC(CO)CO)(O)CO; OCC(CO)N[CH]1C[C](O)(CO)
    [CH](O)[CH](O)[CH]1O    		 (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol;
    voglibose
    44895 VOH
    ZINC000000388569    		 7 C9 H12 O3 InChI=1S/C9H12O3/c1-11-8-
    4-3-7(6-10)5-9(8)12-2/h3-
    5,10H,6H2,1-2H3;
    OEGPRYNGFWGMMV-UHFFFAOYSA-N    		 COc1ccc(cc1OC)CO; COc1ccc(CO)cc1OC Veratryl alcohol
    44896 VOI
    CHEMBL5646898    		 1 C20 H19 N3 O3 InChI=1S/C20H19N3O3/c1-22
    (2)20(24)9-11-25-18-6-3-4
    -7-19(18)26-17-8-5-10-23-
    14-15(13-21)12-16(17)23/h
    3-8,10,12,14H,9,11H2,1-2H
    3;
    UENZVQQFHDXFGK-UHFFFAOYSA-N    		 CN(C)C(=O)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N
    ; CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C
    #N; CN(C)C(=O)CCOc1ccccc1Oc2cccn3cc(cc23
    )C#N    		 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
    44897 VOJ
    CHEMBL4787096    		 2 C20 H19 F N6 O InChI=1S/C20H19FN6O/c1-12
    -17(11-24-26-12)14-8-19(2
    0(22)23-10-14)28-13(2)16-
    9-15(21)4-5-18(16)27-7-3-
    6-25-27/h3-11,13H,1-2H3,(
    H2,22,23)(H,24,26)/t13-/m
    0/s1;
    NLKNKFKEIUZQIO-ZDUSSCGKSA-N    		 C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc
    3n4cccn4; n3c(c(OC(c2cc(ccc2n1cccn1)F)C)
    cc(c3)c4cnnc4C)N; Cc1c(c[nH]n1)c2cc(c(nc
    2)N)OC(C)c3cc(ccc3n4cccn4)F; Cc1c(c[nH]n
    1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn
    4)F; C[C@H](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc
    (F)ccc3n4cccn4    		 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
    44898 VOK
    CHEMBL450
    DB00463
    ZINC000005508997    		 1 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c1-4-9
    (5-2)6(12)10-8(14)11(3)7(
    9)13/h4-5H2,1-3H3,(H,10,1
    2,14);
    FWJKNZONDWOGMI-UHFFFAOYSA-N    		 CCC1(C(=O)NC(=O)N(C1=O)C)CC; O=C1NC(=O)N
    (C)C(=O)C1(CC)CC; CCC1(CC)C(=O)NC(=O)N(C
    )C1=O    		 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
    44899 VOL
    DB04383
    ZINC000000392015    		 0 C5 H13 N O InChI=1S/C5H13NO/c1-4(2)5
    (6)3-7/h4-5,7H,3,6H2,1-2H
    3/t5-/m1/s1;
    NWYYWIJOWOLJNR-RXMQYKEDSA-N    		 OCC(N)C(C)C; CC(C)[C@H](N)CO; CC(C)[CH](
    N)CO; CC(C)[C@@H](CO)N; CC(C)C(CO)N    		 L-VALINOL
    44900 VOM
    CHEMBL4783261    		 4 C21 H18 F N5 O2 InChI=1S/C21H18FN5O2/c1-1
    2(16-11-15(22)4-6-18(16)2
    7-8-2-7-25-27)29-19-10-14
    -9-13(21(24)28)3-5-17(14)
    26-20(19)23/h2-12H,1H3,(H
    2,23,26)(H2,24,28)/t12-/m
    0/s1;
    NWHCWMITPAFCOH-LBPRGKRZSA-N    		 C[CH](Oc1cc2cc(ccc2nc1N)C(N)=O)c3cc(F)cc
    c3n4cccn4; c1c(c(ccc1F)n2nccc2)C(Oc4c(nc
    3c(cc(cc3)C(N)=O)c4)N)C; C[C@@H](c1cc(cc
    c1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N; C[
    C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c3cc(F)ccc
    3n4cccn4; CC(c1cc(ccc1n2cccn2)F)Oc3cc4cc
    (ccc4nc3N)C(=O)N    		 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
    44901 VON 5 C6 H11 N O5 InChI=1S/C6H11NO5/c8-3-2(
    6(11)12)1-7-5(10)4(3)9/h2
    -5,7-10H,1H2,(H,11,12)/t2
    -,3-,4-,5+/m0/s1;
    ZIPHSWANMLXHEB-NEEWWZBLSA-N    		 C1[C@@H]([C@@H]([C@@H]([C@H](N1)O)O)O)C(
    =O)O; O[C@H]1NC[C@@H]([C@H](O)[C@@H]1O)C
    (O)=O; C1C(C(C(C(N1)O)O)O)C(=O)O; O[CH]1
    NC[CH]([CH](O)[CH]1O)C(O)=O    		 (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid
    44902 VOO 2 C26 H26 F N5 O2 InChI=1S/C26H26FN5O2/c1-2
    8-22-15-21(27)13-19-14-23
    (30-24(19)22)26(34)32-10-
    6-17-4-5-18(12-20(17)16-3
    2)25(33)29-7-11-31-8-2-3-
    9-31/h2-5,8-9,12-15,28,30
    H,6-7,10-11,16H2,1H3,(H,2
    9,33);
    TWEWJYKJVHDAKD-UHFFFAOYSA-N    		 CNc1cc(cc2c1[nH]c(c2)C(=O)N3CCc4ccc(cc4C
    3)C(=O)NCCn5cccc5)F; CNc1cc(F)cc2cc([nH]
    c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5    		 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
    44903 VOP
    CHEMBL4778770    		 4 C23 H19 F N6 O3 InChI=1S/C23H19FN6O3/c1-1
    3(33-21-9-14-7-16(24)3-4-
    18(14)28-23(21)25)17-10-1
    9-15(11-27-30(19)12-22(31
    )32)8-20(17)29-6-2-5-26-2
    9/h2-11,13H,12H2,1H3,(H2,
    25,28)(H,31,32)/t13-/m0/s
    1;
    WCNGWEDHZJYDQQ-ZDUSSCGKSA-N    		 C[C@H](Oc1cc2cc(F)ccc2nc1N)c3cc4n(CC(O)=
    O)ncc4cc3n5cccn5; c1c(c(cc2cnn(c12)CC(O)
    =O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N;
    C[CH](Oc1cc2cc(F)ccc2nc1N)c3cc4n(CC(O)=O
    )ncc4cc3n5cccn5; CC(c1cc2c(cc1n3cccn3)cn
    n2CC(=O)O)Oc4cc5cc(ccc5nc4N)F; C[C@@H](c
    1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(cc
    c5nc4N)F    		 [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
    44904 VOQ
    ZINC000041665020    		 1 C11 H19 N3 O2 InChI=1S/C11H19N3O2/c1-7-
    9(8(2)16-13-7)6-14(5)10(1
    5)11(3,4)12/h6,12H2,1-5H3;
    RELIAECMPOCXRD-UHFFFAOYSA-N    		 CN(Cc1c(C)onc1C)C(=O)C(C)(C)N; Cc1c(c(on
    1)C)CN(C)C(=O)C(C)(C)N    		 N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
    44905 VOR
    CHEMBL638
    DB00582
    ZINC000000014864    		 12 C16 H14 F3 N5 O InChI=1S/C16H14F3N5O/c1-1
    0(15-14(19)5-20-7-22-15)1
    6(25,6-24-9-21-8-23-24)12
    -3-2-11(17)4-13(12)18/h2-
    5,7-10,25H,6H2,1H3/t10-,1
    6+/m0/s1;
    BCEHBSKCWLPMDN-MGPLVRAMSA-N    		 CC(c1c(cncn1)F)C(Cn2cncn2)(c3ccc(cc3F)F)
    O; C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3
    ccc(cc3F)F)O; C[C@@H](c1ncncc1F)[C@](O)(
    Cn2cncn2)c3ccc(F)cc3F; Fc1cncnc1C(C(O)(c
    2ccc(F)cc2F)Cn3ncnc3)C; C[CH](c1ncncc1F)
    [C](O)(Cn2cncn2)c3ccc(F)cc3F    		 Voriconazole;
    (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    44906 VOT 8 C31 H44 N6 O6 InChI=1S/C31H44N6O6/c1-4-
    21-6-10-23(11-7-21)36-37-
    24-12-8-22(9-13-24)17-28(
    41)35-29(20(3)38)31(43)34
    -26-18-25(39)15-16-32-27(
    40)14-5-19(2)33-30(26)42/
    h6-13,19-20,25-26,29,36-3
    9H,4-5,14-18H2,1-3H3,(H,3
    2,40)(H,33,42)(H,34,43)(H
    ,35,41)/t19-,20+,25-,26-,
    29-/m0/s1;
    RFGUMPPDEDFOAF-HXNWBPOKSA-N    		 CCc1ccc(cc1)NNc2ccc(cc2)CC(=O)NC(C(C)O)C
    (=O)NC3CC(CCNC(=O)CCC(NC3=O)C)O; CCc1ccc
    (NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]
    3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1;
    CCc1ccc(cc1)NNc2ccc(cc2)CC(=O)N[C@@H]([
    C@@H](C)O)C(=O)N[C@H]3C[C@H](CCNC(=O)CC[
    C@@H](NC3=O)C)O; CCc1ccc(NNc2ccc(CC(=O)N
    [C@@H]([C@@H](C)O)C(=O)N[C@H]3C[C@@H](O)
    CCNC(=O)CC[C@H](C)NC3=O)cc2)cc1    		 (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide
    44907 VOU
    CHEMBL5646838    		 1 C22 H21 N3 O3 InChI=1S/C22H21N3O3/c23-1
    5-17-14-18-19(8-5-12-25(1
    8)16-17)28-21-7-2-1-6-20(
    21)27-13-9-22(26)24-10-3-
    4-11-24/h1-2,5-8,12,14,16
    H,3-4,9-11,13H2;
    PEIZFCTZWSLJCB-UHFFFAOYSA-N    		 c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccn4c3cc(
    c4)C#N; O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc
    21)N1CCCC1; O=C(CCOc1ccccc1Oc2cccn3cc(cc
    23)C#N)N4CCCC4    		 (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
    44908 VOV 30 C35 H34 Fe N4 O6 InChI=1S/C35H36N4O6.Fe/c1
    -6-21-17(2)25-13-26-18(3)
    23(8-11-34(42)43)31(37-26
    )16-32-24(9-12-35(44)45)2
    0(5)28(39-32)15-30-22(7-1
    0-33(40)41)19(4)27(38-30)
    14-29(21)36-25;/h6,13-16H
    ,1,7-12H2,2-5H3,(H5,36,37
    ,38,39,40,41,42,43,44,45)
    ;/q;+2/p-2/b25-13-,26-13-
    ,27-14-,28-15-,29-14-,30-
    15-,31-16-,32-16-;;
    WHUQBNXBFVNCIJ-RGGAHWMASA-L    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]
    36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=
    C(C7=C2)C)C=C)C)CCC(=O)O; CC1=C(CCC(O)=O
    )C2=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3CCC
    (O)=O)C(=C6C=C)C)C(=C(CCC(O)=O)C5=CC1=N2
    )C; CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N@]5C(=C
    C6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C
    (CCC(O)=O)C5=CC1=N2)C    		 harderoheme (III)
    44909 VOW
    ZINC000169743251    		 1 C8 H11 B O3 InChI=1S/C8H11BO3/c1-2-12
    -8-5-3-7(4-6-8)9(10)11/h3
    -6,10-11H,2H2,1H3;
    WRQNDLDUNQMTCL-UHFFFAOYSA-N    		 B(c1ccc(cc1)OCC)(O)O; CCOc1ccc(cc1)B(O)O (4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
    44910 VOX 7 C35 H52 N6 O6 InChI=1S/C35H52N6O6/c1-23
    -10-15-27(16-11-23)40-41-
    28-17-13-26(14-18-28)8-6-
    4-5-7-9-32(45)39-33(25(3)
    42)35(47)38-30-22-29(43)2
    0-21-36-31(44)19-12-24(2)
    37-34(30)46/h10-11,13-18,
    24-25,29-30,33,40-43H,4-9
    ,12,19-22H2,1-3H3,(H,36,4
    4)(H,37,46)(H,38,47)(H,39
    ,45)/t24-,25+,29-,30-,33-
    /m0/s1;
    RLZPHOGHHZBJIN-RPQORNJFSA-N    		 Cc1ccc(cc1)NNc2ccc(cc2)CCCCCCC(=O)N[C@@H
    ]([C@@H](C)O)C(=O)N[C@H]3C[C@H](CCNC(=O)
    CC[C@@H](NC3=O)C)O; C[C@@H](O)[C@H](NC(=
    O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[C
    @H]3C[C@@H](O)CCNC(=O)CC[C@H](C)NC3=O; C
    c1ccc(cc1)NNc2ccc(cc2)CCCCCCC(=O)NC(C(C)
    O)C(=O)NC3CC(CCNC(=O)CCC(NC3=O)C)O; C[CH
    ](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2
    )cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C
    )NC3=O    		 ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide
    44911 VOY
    CHEMBL5567125    		 8 C31 H30 N8 O3 InChI=1S/C31H30N8O3/c1-5-
    41-28-16-25-24(15-26(28)3
    7-30(40)7-6-11-38(3)4)31(
    21(17-32)18-33-25)36-22-8
    -9-27(20(2)13-22)42-23-10
    -12-39-29(14-23)34-19-35-
    39/h6-10,12-16,18-19H,5,1
    1H2,1-4H3,(H,33,36)(H,37,
    40)/b7-6+;
    XBWYQGMQBNVPMF-VOTSOKGWSA-N    		 CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccn5ncnc5c4)
    c(C)c3)c2cc1NC(=O)/C=C/CN(C)C; CCOc2cc1n
    cc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(
    c(cc3)Oc5cc4ncnn4cc5)C)C#N; CCOc1cc2c(cc
    1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3
    )C)Oc4ccn5c(c4)ncn5; CCOc1cc2c(cc1NC(=O)
    /C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc
    4ccn5c(c4)ncn5; CCOc1cc2ncc(C#N)c(Nc3ccc
    (Oc4ccn5ncnc5c4)c(C)c3)c2cc1NC(=O)C=CCN(
    C)C    		 (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
    44912 VOZ
    CHEMBL5597368    		 2 C21 H21 N3 O InChI=1S/C21H21N3O/c25-21
    (24-9-1-2-17-12-22-8-7-18
    (17)13-24)20-11-16-6-5-15
    (14-3-4-14)10-19(16)23-20
    /h5-8,10-12,14,23H,1-4,9,
    13H2;
    FOEUSFMNKKBIIE-UHFFFAOYSA-N    		 c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)
    C5CC5; O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(cc
    c4c3)C5CC5    		 (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
    44913 VP0
    ZINC000000064906    		 1 C13 H15 N O3 InChI=1S/C13H15NO3/c1-9(1
    5)14-7-6-10-4-2-3-5-11(10
    )12(14)8-13(16)17/h2-5,12
    H,6-8H2,1H3,(H,16,17)/t12
    -/m0/s1;
    QZBDYCNMWXWQNV-LBPRGKRZSA-N    		 CC(=O)N1CCc2ccccc2[CH]1CC(O)=O; CC(=O)N1
    CCc2ccccc2[C@@H]1CC(=O)O; CC(=O)N1CCc2cc
    ccc2C1CC(=O)O; CC(=O)N1CCc2ccccc2[C@@H]1
    CC(O)=O; O=C(O)CC1c2ccccc2CCN1C(C)=O    		 [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
    44914 VP1
    ZINC000000388382    		 2 C15 H11 Cl O2 InChI=1S/C15H11ClO2/c16-1
    5(17)18-9-14-12-7-3-1-5-1
    0(12)11-6-2-4-8-13(11)14/
    h1-8,14H,9H2;
    IRXSLJNXXZKURP-UHFFFAOYSA-N    		 ClC(=O)OCC1c2ccccc2c3ccccc13; c1ccc2c(c1
    )-c3ccccc3C2COC(=O)Cl    		 Fluorenylmethyloxycarbonyl chloride
    44915 VP2
    CHEMBL5639498    		 1 C20 H17 F2 N3 O3 InChI=1S/C20H17F2N3O3/c21
    -19(22)12-24-20(26)7-9-27
    -17-4-1-2-5-18(17)28-16-6
    -3-8-25-13-14(11-23)10-15
    (16)25/h1-6,8,10,13,19H,7
    ,9,12H2,(H,24,26);
    PTNLADVCXMBZFS-UHFFFAOYSA-N    		 FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C
    #N; FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc
    12)C#N; c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cc
    cn3c2cc(c3)C#N    		 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
    44916 VP3
    CHEMBL3544869
    ZINC000000128838    		 1 C10 H9 F O3 InChI=1S/C10H9FO3/c11-8-3
    -1-7(2-4-8)9(12)5-6-10(13
    )14/h1-4H,5-6H2,(H,13,14);
    WUYWHIAAQYQKPP-UHFFFAOYSA-N    		 OC(=O)CCC(=O)c1ccc(F)cc1; c1cc(ccc1C(=O)
    CCC(=O)O)F; O=C(CCC(=O)O)c1ccc(F)cc1    		 4-(4-fluorophenyl)-4-oxobutanoic acid
    44917 VP4 18 C21 H23 Cl N4 O2 InChI=1S/C21H23ClN4O2/c1-
    13(21(28)25-17-4-6-18(22)
    20(10-17)26(2)3)24-16-5-7
    -19-15(9-16)8-14(12-27)11
    -23-19/h4-11,13,24,27H,12
    H2,1-3H3,(H,25,28)/t13-/m
    0/s1;
    DPOWTSNHUDZSRA-ZDUSSCGKSA-N    		 CC(C(=O)Nc1ccc(c(c1)N(C)C)Cl)Nc2ccc3c(c2
    )cc(cn3)CO; C[C@@H](C(=O)Nc1ccc(c(c1)N(C
    )C)Cl)Nc2ccc3c(c2)cc(cn3)CO; C[CH](Nc1cc
    c2ncc(CO)cc2c1)C(=O)Nc3ccc(Cl)c(c3)N(C)C
    ; CN(c1cc(ccc1Cl)NC(=O)C(C)Nc2ccc3c(c2)c
    c(cn3)CO)C; C[C@H](Nc1ccc2ncc(CO)cc2c1)C
    (=O)Nc3ccc(Cl)c(c3)N(C)C    		 N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide
    44918 VP5 3 C6 H11 N O5 InChI=1S/C6H11NO5/c8-4-3(
    5(9)10)1-7-2-6(4,11)12/h3
    -4,7-8,11-12H,1-2H2,(H,9,
    10)/t3-,4+/m0/s1;
    VJJFPBNJYGLWRR-IUYQGCFVSA-N    		 C1C(C(C(CN1)(O)O)O)C(=O)O; C1[C@@H]([C@H
    ](C(CN1)(O)O)O)C(=O)O; O[CH]1[CH](CNCC1(
    O)O)C(O)=O; O[C@@H]1[C@H](CNCC1(O)O)C(O)
    =O    		 (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid
    44919 VP6
    CHEMBL5597635    		 2 C21 H23 F N4 O2 InChI=1S/C21H23FN4O2/c1-2
    1(2,28)14-6-5-12-8-17(25-
    16(12)9-14)20(27)26-7-3-4
    -13-10-24-19(23)18(22)15(
    13)11-26/h5-6,8-10,25,28H
    ,3-4,7,11H2,1-2H3,(H2,23,
    24);
    GKQSKUWMVJZQIF-UHFFFAOYSA-N    		 CC(C)(c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(
    c(c4C3)F)N)O; CC(C)(O)c1ccc2cc([nH]c2c1)
    C(=O)N3CCCc4cnc(N)c(F)c4C3    		 (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone
    44920 VP7
    CHEMBL2334586
    ZINC000095589024    		 2 C20 H20 N4 O InChI=1S/C20H20N4O/c1-20(
    2,25)9-8-12-6-7-15-14(10-
    12)17-16(23-15)5-3-4-13-1
    1-22-19(21)24-18(13)17/h6
    -7,10-11,23,25H,3-5H2,1-2
    H3,(H2,21,22,24);
    DGLFSNZWRYADFC-UHFFFAOYSA-N    		 n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O
    )cc4; CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)
    nc4c3c2c1; CC(C)(C#Cc1ccc2c(c1)c-3c([nH]
    2)CCCc4c3nc(nc4)N)O    		 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
    44921 VP8
    ZINC000169743510    		 0 C8 H11 B O3 InChI=1S/C8H11BO3/c1-2-12
    -8-5-3-4-7(6-8)9(10)11/h3
    -6,10-11H,2H2,1H3;
    CHCWUTJYLUBETR-UHFFFAOYSA-N    		 B(c1cccc(c1)OCC)(O)O; CCOc1cccc(c1)B(O)O (3-ethoxyphenyl)boronic acid
    44922 VP9 1 C14 H13 N3 O5 InChI=1S/C14H13N3O5/c1-22
    -8-4-2-6(15)10-11(8)14(21
    )17(13(10)20)7-3-5-9(18)1
    6-12(7)19/h2,4,7H,3,5,15H
    2,1H3,(H,16,18,19)/t7-/m0
    /s1;
    JQKAGYPIPZUGHW-ZETCQYMHSA-N    		 COc1ccc(c2c1C(=O)N(C2=O)[C@H]3CCC(=O)NC3
    =O)N; COc1ccc(N)c2C(=O)N([C@H]3CCC(=O)NC
    3=O)C(=O)c12; COc1ccc(N)c2C(=O)N([CH]3CC
    C(=O)NC3=O)C(=O)c12; COc1ccc(c2c1C(=O)N(
    C2=O)C3CCC(=O)NC3=O)N    		 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione
    44923 VPA
    ZINC000098209533    		 3 C19 H28 N2 O9 InChI=1S/C19H28N2O9/c20-1
    2(6-9-4-2-1-3-5-9)21-18-1
    6(26)15(25)14(24)11(30-18
    )8-29-19-17(27)13(23)10(2
    2)7-28-19/h1-5,10-11,13-1
    9,22-27H,6-8H2,(H2,20,21)
    /t10-,11-,13+,14-,15+,16-
    ,17-,18-,19+/m1/s1;
    SKGTWJNDCFMXKU-GZDQRYBESA-N    		 O[CH]1CO[CH](OC[CH]2O[CH](NC(=N)Cc3ccccc
    3)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; O[
    C@@H]1CO[C@@H](OC[C@H]2O[C@@H](NC(=N)Cc3
    ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O
    )[C@H]1O; c1ccc(cc1)CC(=N)NC2C(C(C(C(O2)
    COC3C(C(C(CO3)O)O)O)O)O)O; [H]/N=C(\Cc1c
    cccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](
    O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
    )O)O)O; O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)
    C(O)C2O)C3OCC(O)C(O)C3O    		 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine;
    2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e thanimidamide
    44924 VPB
    CHEMBL5646651    		 1 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c23-1
    5-17-14-18-19(6-3-8-25(18
    )16-17)29-21-5-2-1-4-20(2
    1)28-11-7-22(26)24-9-12-2
    7-13-10-24/h1-6,8,14,16H,
    7,9-13H2;
    QXEAIZYIBWVAEX-UHFFFAOYSA-N    		 O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCO
    CC4; O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)
    N1CCOCC1; c1ccc(c(c1)OCCC(=O)N2CCOCC2)Oc
    3cccn4c3cc(c4)C#N    		 (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
    44925 VPC 2 C32 H16 Ga N8 InChI=1S/C32H16N8.Ga/c1-2
    -10-18-17(9-1)25-33-26(18
    )38-28-21-13-5-6-14-22(21
    )30(35-28)40-32-24-16-8-7
    -15-23(24)31(36-32)39-29-
    20-12-4-3-11-19(20)27(34-
    29)37-25;/h1-16H;/q-2;+2;
    WBSOKGMOXCALAG-UHFFFAOYSA-N    		 c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]
    48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C
    9=N7; [Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N
    =C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccc
    cc4%10    		 Phthalocyanine containing GA;
    Gallium(III)-phthalocyanine
    44926 VPD
    CHEMBL4764985    		 4 C19 H29 Cl N5 O9 P InChI=1S/C19H29ClN5O9P/c1
    -32-9-19(8-26,35(29,30)31
    )33-7-12-13(27)14(28)17(3
    4-12)25-16-11(6-21-25)15(
    23-18(20)24-16)22-10-4-2-
    3-5-10/h6,10,12-14,17,26-
    28H,2-5,7-9H2,1H3,(H,22,2
    3,24)(H2,29,30,31)/t12-,1
    3-,14-,17-,19-/m1/s1;
    BQCRMLSBGAKPFW-RTPDKIPNSA-N    		 COCC(CO)(OCC1C(C(C(O1)n2c3c(cn2)c(nc(n3)
    Cl)NC4CCCC4)O)O)P(=O)(O)O; COC[C@](CO)(O
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ncc3c(N
    C4CCCC4)nc(Cl)nc23)[P](O)(O)=O; C(CO)(OC
    C1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4
    )O)O)(COC)P(=O)(O)O; COC[C](CO)(OC[CH]1O
    [CH]([CH](O)[CH]1O)n2ncc3c(NC4CCCC4)nc(C
    l)nc23)[P](O)(O)=O; COC[C@](CO)(OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3
    )Cl)NC4CCCC4)O)O)P(=O)(O)O    		 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    OP-0105244
    44927 VPE
    ZINC000000544774    		 2 C9 H12 N2 O3 S InChI=1S/C9H12N2O3S/c1-6(
    5-8(13)14)4-7(12)11-9-10-
    2-3-15-9/h2-3,6H,4-5H2,1H
    3,(H,13,14)(H,10,11,12)/t
    6-/m0/s1;
    XBVSCWDDCLBNGM-LURJTMIESA-N    		 C[C@@H](CC(=O)Nc1nccs1)CC(=O)O; O=C(CC(C
    )CC(=O)O)Nc1nccs1; CC(CC(=O)Nc1nccs1)CC(
    =O)O; C[C@H](CC(O)=O)CC(=O)Nc1sccn1; C[C
    H](CC(O)=O)CC(=O)Nc1sccn1    		 (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid
    44928 VPF
    ZINC000098209534    		 2 C22 H32 N3 O8 P InChI=1S/C22H32N3O8P/c1-1
    4(2)20(23-17(26)10-11-19(
    27)28)22(30)25-12-6-9-16(
    25)21(29)24-18(34(31,32)3
    3)13-15-7-4-3-5-8-15/h3-5
    ,7-8,14,16,18,20H,6,9-13H
    2,1-2H3,(H,23,26)(H,24,29
    )(H,27,28)(H2,31,32,33)/t
    16-,18-,20-/m0/s1;
    KPGFVOVOBVGIMY-QRFRQXIXSA-N    		 CC(C)C(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)P(=
    O)(O)O)NC(=O)CCC(=O)O; CC(C)[C@H](NC(=O)
    CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2
    ccccc2)[P](O)(O)=O; CC(C)[C@@H](C(=O)N1C
    CC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)
    NC(=O)CCC(=O)O; CC(C)[CH](NC(=O)CCC(O)=O
    )C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[P]
    (O)(O)=O; O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N
    (C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2    		 N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide
    44929 VPG
    CHEMBL4785716    		 2 C18 H20 Cl2 N5 O7 P InChI=1S/C18H20Cl2N5O7P/c
    19-11-4-2-1-3-9(11)5-21-1
    5-10-6-22-25(16(10)24-18(
    20)23-15)17-14(27)13(26)1
    2(32-17)7-31-8-33(28,29)3
    0/h1-4,6,12-14,17,26-27H,
    5,7-8H2,(H,21,23,24)(H2,2
    8,29,30)/t12-,13-,14-,17-
    /m1/s1;
    VAGWGCSOWAKFTM-VMUDFCTBSA-N    		 c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)C4C(C(C(
    O4)COCP(=O)(O)O)O)O)Cl; c1ccc(c(c1)CNc2c
    3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H
    ](O4)COCP(=O)(O)O)O)O)Cl; O[C@H]1[C@@H](
    O)[C@@H](O[C@@H]1COC[P](O)(O)=O)n2ncc3c(
    NCc4ccccc4Cl)nc(Cl)nc23; c1(c(cccc1)CNc2
    c3c(nc(n2)Cl)n(nc3)C4C(C(C(COCP(=O)(O)O)
    O4)O)O)Cl; O[CH]1[CH](O)[CH](O[CH]1COC[P
    ](O)(O)=O)n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc2
    3    		 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    44930 VPH 1 C8 H14 O6 InChI=1S/C8H14O6/c1-13-8(
    12)5-2-4(10)7(11)6(3-9)14
    -5/h4-7,9-11H,2-3H2,1H3/t
    4-,5-,6-,7-/m1/s1;
    GCROCZNWGKBWPY-DBRKOABJSA-N    		 COC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C
    O)O1; COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO
    )O1; COC(=O)C1CC(C(C(O1)CO)O)O; COC(=O)[
    C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O    		 methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate
    44931 VPI 2 C17 H34 N3 O8 P InChI=1S/C17H34N3O8P/c1-1
    3(21)18-9-6-4-5-7-10-19-1
    4(22)8-11-20-16(24)15(23)
    17(2,3)12-28-29(25,26)27/
    h15,23H,4-12H2,1-3H3,(H,1
    8,21)(H,19,22)(H,20,24)(H
    2,25,26,27)/t15-/m0/s1;
    KSMJRHVJQGTOAX-HNNXBMFYSA-N    		 CC(=O)NCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C
    )COP(=O)(O)O)O; CC(=O)NCCCCCCNC(=O)CCNC(
    =O)[C@H](O)C(C)(C)CO[P](O)(O)=O; CC(=O)N
    CCCCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O
    )O; CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(
    C)(C)CO[P](O)(O)=O    		 [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
    44932 VPJ 1 C17 H19 F N8 O S2 InChI=1S/C17H19FN8OS2/c18
    -10-3-5-11(6-4-10)21-15-2
    3-13(22-14(19)24-15)9-28-
    17-26-25-16(29-17)20-8-12
    -2-1-7-27-12/h3-6,12H,1-2
    ,7-9H2,(H,20,25)(H3,19,21
    ,22,23,24);
    YMCUEXLWILKXTO-UHFFFAOYSA-N    		 c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CC
    CO4)F; Nc1nc(CSc2sc(NCC3CCCO3)nn2)nc(Nc4
    ccc(F)cc4)n1; c2(NCC1CCCO1)nnc(s2)SCc4nc
    (Nc3ccc(cc3)F)nc(n4)N    		 N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
    44933 VPK
    ZINC000001668824    		 2 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c1-2-1
    2-8(11)10-7-4-3-5-9-6-7/h
    3-6H,2H2,1H3,(H,10,11);
    YLRSARVOZNPQKX-UHFFFAOYSA-N    		 CCOC(=O)Nc1cccnc1; O=C(OCC)Nc1cccnc1 ethyl pyridin-3-ylcarbamate
    44934 VPL 1 C7 H13 N O5 InChI=1S/C7H13NO5/c8-7(12
    )4-1-3(10)6(11)5(2-9)13-4
    /h3-6,9-11H,1-2H2,(H2,8,1
    2)/t3-,4-,5-,6-/m1/s1;
    XSQZVCXBAGPICS-KVTDHHQDSA-N    		 C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O
    ; C1C(C(C(OC1C(=O)N)CO)O)O; NC(=O)[CH]1C
    [CH](O)[CH](O)[CH](CO)O1; NC(=O)[C@H]1C[
    C@@H](O)[C@@H](O)[C@@H](CO)O1    		 (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide
    44935 VPM
    ZINC000000389562    		 1 C7 H12 O5 InChI=1S/C7H12O5/c1-4(2)7
    (12,6(10)11)3-5(8)9/h4,12
    H,3H2,1-2H3,(H,8,9)(H,10,
    11)/t7-/m0/s1;
    BITYXLXUCSKTJS-ZETCQYMHSA-N    		 CC(C)C(CC(=O)O)(C(=O)O)O; CC(C)[C@@](CC(
    =O)O)(C(=O)O)O; CC(C)[C@@](O)(CC(O)=O)C(
    O)=O; CC(C)[C](O)(CC(O)=O)C(O)=O; O=C(O)
    C(O)(CC(=O)O)C(C)C    		 (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
    44936 VPN 11 C45 H83 Br4 O13 P InChI=1S/C45H83Br4O13P/c1
    -3-5-7-9-13-19-25-34(46)3
    6(48)27-21-15-11-17-23-29
    -38(50)59-31-33(32-60-63(
    57,58)62-45-43(55)41(53)4
    0(52)42(54)44(45)56)61-39
    (51)30-24-18-12-16-22-28-
    37(49)35(47)26-20-14-10-8
    -6-4-2/h33-37,40-45,52-56
    H,3-32H2,1-2H3,(H,57,58)/
    t33-,34-,35?,36+,37?,40-,
    41-,42+,43+,44+,45-/m0/s1;
    CXUUJLFCERQNTC-GLNOFRAPSA-N    		 CCCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)OC[C@@
    H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@
    H]1O)O)O)O)O)OC(=O)CCCCCCCC(C(CCCCCCCC)B
    r)Br)Br)Br; CCCCCCCC[CH](Br)[CH](Br)CCCC
    CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)
    [CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCC
    CC(Br)C(Br)CCCCCCCC; CCCCCCCC[C@H](Br)[C
    @H](Br)CCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)
    O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O
    )[C@H]1O)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC
    ; CCCCCCCCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)
    OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC(C(
    CCCCCCCC)Br)Br)Br)Br; OP(=O)(OC1C(O)C(O)
    C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)
    CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC    		 (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate
    44937 VPP
    ZINC000098209535    		 4 C23 H29 N5 O8 S InChI=1S/C23H29N5O8S/c1-4
    -27-10-11-28(19(31)18(27)
    30)22(36)25-13(12-8-6-5-7
    -9-12)16(29)24-14(20(32)3
    3)17-26-15(21(34)35)23(2,
    3)37-17/h5-9,13-15,17,26H
    ,4,10-11H2,1-3H3,(H,24,29
    )(H,25,36)(H,32,33)(H,34,
    35)/t13-,14+,15+,17+/m1/s
    1;
    OKSUEATVFIVTFV-AESZEHBQSA-N    		 CCN1CCN(C(=O)N[CH](C(=O)N[CH]([CH]2N[CH]
    (C(O)=O)C(C)(C)S2)C(O)=O)c3ccccc3)C(=O)C
    1=O; CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc
    cc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)
    C(=O)O)C(=O)O; O=C(NC(C(=O)O)C1SC(C(N1)C
    (=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)
    N(CC)CC3; CCN1CCN(C(=O)N[C@@H](C(=O)N[C@
    @H]([C@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=
    O)c3ccccc3)C(=O)C1=O; CCN1CCN(C(=O)C1=O)
    C(=O)NC(c2ccccc2)C(=O)NC(C3NC(C(S3)(C)C)
    C(=O)O)C(=O)O    		 (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    (5S)-Penicilloic Acid
    44938 VPQ 1 C7 H13 N O6 InChI=1S/C7H13NO6/c8-7(13
    )6-5(12)4(11)3(10)2(1-9)1
    4-6/h2-6,9-12H,1H2,(H2,8,
    13)/t2-,3-,4+,5+,6-/m1/s1;
    UKWLGCFJAVEFPE-RWOPYEJCSA-N    		 NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
    ; NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](
    O)[C@@H]1O; C(C1C(C(C(C(O1)C(=O)N)O)O)O)
    O; C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O
    1)C(=O)N)O)O)O)O    		 (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide
    44939 VPR
    CHEMBL93836
    DB04165
    ZINC000000002238    		 7 C8 H17 N O InChI=1S/C8H17NO/c1-3-5-7
    (6-4-2)8(9)10/h7H,3-6H2,1
    -2H3,(H2,9,10);
    OMOMUFTZPTXCHP-UHFFFAOYSA-N    		 O=C(N)C(CCC)CCC; CCCC(CCC)C(=O)N; CCCC(C
    CC)C(N)=O    		 2-PROPYLPENTANAMIDE;
    VALPROMIDE
    44940 VPS 1 C17 H12 N6 O3 InChI=1S/C17H12N6O3/c18-9
    -10-4-6-12(7-5-10)20-16-2
    1-15(19)22-17(23-16)26-13
    -3-1-2-11(8-13)14(24)25/h
    1-8H,(H,24,25)(H3,19,20,2
    1,22,23);
    WKFGNLUJVJDVRJ-UHFFFAOYSA-N    		 Nc1nc(Nc2ccc(cc2)C#N)nc(Oc3cccc(c3)C(O)=
    O)n1; c2(nc(Nc1ccc(cc1)C#N)nc(n2)Oc3cccc
    (C(O)=O)c3)N; c1cc(cc(c1)Oc2nc(nc(n2)Nc3
    ccc(cc3)C#N)N)C(=O)O    		 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid
    44941 VPT 2 C20 H20 N6 O8 S InChI=1S/C20H20N6O8S/c1-2
    -6-32-12-5-3-4-11(7-12)19
    (29)25-35(30,31)33-8-13-1
    5(27)16(28)20(34-13)26-10
    -24-14-17(21)22-9-23-18(1
    4)26/h1,3-5,7,9-10,13,15-
    16,20,27-28H,6,8H2,(H,25,
    29)(H2,21,22,23)/t13-,15-
    ,16-,20-/m1/s1;
    CEBNTACPQUEIBR-KHTYJDQRSA-N    		 C#CCOc1cccc(c1)C(=O)NS(=O)(=O)OCC2C(C(C(
    O2)n3cnc4c3ncnc4N)O)O; Nc1ncnc2n(cnc12)[
    CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(OCC#
    C)c4)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@
    H]3O[C@H](CO[S](=O)(=O)NC(=O)c4cccc(OCC#
    C)c4)[C@@H](O)[C@H]3O; C#CCOc1cccc(c1)C(
    =O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H]
    (O2)n3cnc4c3ncnc4N)O)O    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate
    44942 VPU
    CHEMBL256732
    DB08704
    ZINC000035859848    		 1 C18 H25 N3 O7 InChI=1S/C18H25N3O7/c1-2-
    3-9-13(23)20-14-16(25)15(
    24)12(10-22)27-17(14)21-2
    8-18(26)19-11-7-5-4-6-8-1
    1/h4-8,12,14-16,22,24-25H
    ,2-3,9-10H2,1H3,(H,19,26)
    (H,20,23)/b21-17-/t12-,14
    -,15-,16-/m1/s1;
    NUNQIQQEEPOGDJ-JDOAOKHLSA-N    		 CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C
    1=N\OC(=O)Nc2ccccc2)CO)O)O; O=C(O\N=C1/O
    C(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2; CCC
    CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO
    C(=O)Nc2ccccc2; CCCCC(=O)NC1C(C(C(OC1=NO
    C(=O)Nc2ccccc2)CO)O)O; CCCCC(=O)N[C@@H]\
    1[C@@H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O
    )Nc2ccccc2    		 [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate;
    N-Valeryl-PUGNAc
    44943 VPV 0 C13 H22 N2 O7 InChI=1S/C13H22N2O7/c14-9
    (12(19)20)3-1-2-6-15-10(1
    3(21)22)7-8(16)4-5-11(17)
    18/h8-9,16H,1-7,14H2,(H,1
    7,18)(H,19,20)(H,21,22)/b
    15-10+/t8-,9+/m1/s1;
    SZZIBLQGBUJBOW-SFBSIPHCSA-N    		 C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O
    )O; C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O
    )C[C@@H](C(=O)O)N; C(CCN=C(CC(CCC(=O)O)O
    )C(=O)O)CC(C(=O)O)N; N[C@@H](CCCCN=C(C[C
    @H](O)CCC(O)=O)C(O)=O)C(O)=O; N[CH](CCCC
    N=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O    		 (2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
    44944 VPW
    CHEMBL101664
    ZINC000000155174    		 1 C11 H12 Cl N InChI=1S/C11H12ClN/c12-11
    -3-1-9(2-4-11)10-5-7-13-8
    -6-10/h1-5,13H,6-8H2;
    SXOMHACGFSJBIO-UHFFFAOYSA-N    		 c1cc(ccc1C2=CCNCC2)Cl; Clc1ccc(cc1)C2=CC
    NCC2; Clc1ccc(cc1)C1=CCNCC1    		 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
    44945 VPX
    CHEMBL493982
    DB09030
    ZINC000003925861    		 1 C29 H33 F N2 O4 InChI=1S/C29H33FN2O4/c1-3
    -35-29(34)32-23-10-11-24-
    20(14-23)15-26-27(17(2)36
    -28(26)33)25(24)12-9-22-8
    -7-19(16-31-22)18-5-4-6-2
    1(30)13-18/h4-9,12-13,16-
    17,20,23-27H,3,10-11,14-1
    5H2,1-2H3,(H,32,34)/b12-9
    +/t17-,20+,23-,24-,25+,26
    -,27+/m1/s1;
    ZBGXUVOIWDMMJE-QHNZEKIYSA-N    		 CCOC(=O)NC1CCC2C(C1)CC3C(C2C=Cc4ccc(cn4)
    c5cccc(c5)F)C(OC3=O)C; CCOC(=O)N[CH]1CC[
    CH]2[CH](C1)C[CH]3[CH]([CH](C)OC3=O)[CH]
    2C=Cc4ccc(cn4)c5cccc(F)c5; Fc1cccc(c1)c2
    ccc(nc2)\C=C\C4C3C(CC(NC(=O)OCC)CC3)CC5C
    (=O)OC(C45)C; CCOC(=O)N[C@@H]1CC[C@@H]2[
    C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(
    cn4)c5cccc(c5)F)[C@H](OC3=O)C; CCOC(=O)N
    [C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]
    ([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5c
    ccc(F)c5    		 ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate;
    vorapaxar
    44946 VPY
    ZINC000027645633    		 2 C23 H38 O3 S InChI=1S/C23H38O3S/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-17-18-19-23(26)2
    7-21-22(25)20-24/h6-7,9-1
    0,12-13,15-16,22,24-25H,2
    -5,8,11,14,17-21H2,1H3/b7
    -6-,10-9-,13-12-,16-15-/t
    22-/m1/s1;
    UUOPRYPOAXYNLX-NZRYSPDRSA-N    		 CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCC(CO)O; CC
    CCCC=CCC=CCC=CCC=CCCCC(=O)SC[CH](O)CO; C
    CCCC\C=C/C\C=C/C/C=C\C\C=C/CCCC(=O)SC[C@
    H](O)CO; S(C(=O)CCC[C@H]=CC[C@H]=CCC=[C@
    H]C[C@H]=[C@H]CCCCC)CC(O)CO; CCCCC/C=C\C
    /C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O    		 S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
    44947 VPZ
    CHEMBL5416485    		 2 C17 H15 Cl2 F N4 O4 S2 InChI=1S/C17H15Cl2FN4O4S2
    /c18-8-3-7(4-9(19)12(8)20
    )30-17-15(27)13(14(26)11(
    6-25)28-17)24-5-10(22-23-
    24)16-21-1-2-29-16/h1-5,1
    1,13-15,17,25-27H,6H2/t11
    -,13+,14+,15-,17-/m1/s1;
    QJQNWNOQNZZJCB-YNIRGQLTSA-N    		 c1csc(n1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@
    @H]([C@@H]3O)Sc4cc(c(c(c4)Cl)F)Cl)CO)O;
    c1csc(n1)c2cn(nn2)C3C(C(OC(C3O)Sc4cc(c(c
    (c4)Cl)F)Cl)CO)O; OC[C@H]1O[C@H](Sc2cc(C
    l)c(F)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n3cc
    (nn3)c4sccn4; OC[CH]1O[CH](Sc2cc(Cl)c(F)
    c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4sc
    cn4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol
    44948 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
    44949 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
    44950 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
    44951 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
    44952 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
    44953 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
    44954 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
    44955 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
    44956 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
    44957 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
    44958 VQC
    ZINC000013520267    		 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
    44959 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
    44960 VQE
    CHEMBL5199065
    DB21703    		 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
    44961 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
    44962 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
    44963 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
    44964 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
    44965 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
    44966 VQK
    CHEMBL5646768    		 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
    44967 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
    44968 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
    44969 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
    44970 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
    44971 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
    44972 VQR 2 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
    44973 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
    44974 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
    44975 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
    44976 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
    44977 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
    44978 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
    44979 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
    44980 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
    44981 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
    44982 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
    44983 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
    44984 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
    44985 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
    44986 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;
    44987 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
    44988 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
    44989 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
    44990 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
    44991 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
    44992 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
    44993 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
    44994 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
    44995 VRF
    CHEMBL5647299    		 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
    44996 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
    44997 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
    44998 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
    44999 VRJ
    CHEMBL6030437    		 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
    45000 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
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).