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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
    10201 89W
    ZINC000019263729    		 3 C12 H16 N2 O InChI=1S/C12H16N2O/c15-12
    (10-5-2-1-3-6-10)14-11-7-
    4-8-13-9-11/h1-3,5-6,11,1
    3H,4,7-9H2,(H,14,15)/t11-
    /m1/s1;
    ZFLKDMGBVZHBAC-LLVKDONJSA-N    		 O=C(NC1CCCNC1)c1ccccc1; c1ccc(cc1)C(=O)N
    C2CCCNC2; c1ccc(cc1)C(=O)N[C@@H]2CCCNC2;
    O=C(N[CH]1CCCNC1)c2ccccc2; O=C(N[C@@H]1
    CCCNC1)c2ccccc2    		 N-[(3R)-piperidin-3-yl]benzamide
    10202 89X 1 C22 H28 N4 O4 InChI=1S/C22H28N4O4/c1-15
    (2)13-18(24-22(29)23-14-1
    6-9-5-3-6-10-16)20(27)25-
    19(21(28)26-30)17-11-7-4-
    8-12-17/h3-12,15,18-19,30
    H,13-14H2,1-2H3,(H,25,27)
    (H,26,28)(H2,23,24,29)/t1
    8-,19+/m0/s1;
    HNVHIABPJCVMFJ-RBUKOAKNSA-N    		 CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)N
    O)NC(=O)NCc2ccccc2; CC(C)CC(C(=O)NC(c1cc
    ccc1)C(=O)NO)NC(=O)NCc2ccccc2; CC(C)C[C@
    H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](C(=O)NO
    )c2ccccc2; CC(C)C[CH](NC(=O)NCc1ccccc1)C
    (=O)N[CH](C(=O)NO)c2ccccc2    		 (2S)-4-methyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide
    10203 89Y
    ZINC000584905408    		 2 C5 H8 O5 InChI=1S/C5H8O5/c6-1-5(9)
    2-10-4(8)3(5)7/h3,6-7,9H,
    1-2H2/t3-,5+/m0/s1;
    MTSAHRPUAGVYCZ-WVZVXSGGSA-N    		 C1[C@@]([C@H](C(=O)O1)O)(CO)O; OC[C]1(O)
    COC(=O)[CH]1O; OC[C@@]1(O)COC(=O)[C@@H]1
    O; OC1C(=O)OCC1(O)CO; C1C(C(C(=O)O1)O)(C
    O)O    		 (3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
    10204 89Z 1 C14 H14 N2 O3 InChI=1S/C14H14N2O3/c17-1
    3-11-6-5-10(7-12(11)14(18
    )16-15-13)19-8-9-3-1-2-4-
    9/h5-7,9H,1-4,8H2;
    NLZNAPGLASOXSV-UHFFFAOYSA-N    		 c1cc2c(cc1OCC3CCCC3)C(=O)N=NC2=O; O=C1N=
    NC(=O)c2cc(OCC3CCCC3)ccc12    		 6-(cyclopentylmethoxy)phthalazine-1,4-dione
    10205 8A0 5 C25 H23 F3 N4 O InChI=1S/C25H23F3N4O/c1-1
    3(2)24(20(12-29)22(30)33-
    23-21(24)15(4)31-32-23)17
    -9-16(10-18(11-17)25(26,2
    7)28)19-8-6-5-7-14(19)3/h
    5-11,13H,30H2,1-4H3,(H,31
    ,32)/t24-/m0/s1;
    UBSNISIBQUMDAM-DEOSSOPVSA-N    		 Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c(
    [nH]nc4OC(=C3C#N)N)C)C(C)C; CC(C)[C@]1(c
    2cc(cc(c2)C(F)(F)F)c3ccccc3C)C(=C(N)Oc4n
    [nH]c(C)c14)C#N; Cc1ccccc1c2cc(cc(c2)C(F
    )(F)F)C3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C;
    CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C
    )C(=C(N)Oc4n[nH]c(C)c14)C#N    		 (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile;
    (s)-6-amino-4-isopropyl-3 methyl-4-(2'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
    10206 8A1
    ZINC000012496001    		 2 C4 H8 O4 InChI=1S/C4H8O4/c1-4(8,2-
    5)3(6)7/h5,8H,2H2,1H3,(H,
    6,7)/t4-/m0/s1;
    DGADNPLBVRLJGD-BYPYZUCNSA-N    		 C[C@](CO)(C(=O)O)O; C[C](O)(CO)C(O)=O; C
    [C@](O)(CO)C(O)=O; CC(CO)(C(=O)O)O; O=C(
    C(C)(CO)O)O    		 (2S)-2,3-dihydroxy-2-methylpropanoic acid
    10207 8A2 3 C9 H7 Br F2 O InChI=1S/C9H7BrF2O/c10-7-
    5-8(11)6(2-1-3-13)4-9(7)1
    2/h3-5H,1-2H2;
    JXYLPBJZJRAAJO-UHFFFAOYSA-N    		 Fc1cc(CCC=O)c(F)cc1Br; c1c(c(cc(c1F)Br)F
    )CCC=O    		 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal
    10208 8A3 5 C27 H25 F6 N5 O3 S InChI=1S/C27H25F6N5O3S/c1
    -14(2)26(21(12-34)23(35)4
    1-24-22(26)15(3)36-37-24)
    18-9-17(10-19(11-18)27(31
    ,32)33)16-5-7-20(8-6-16)4
    2(39,40)38(4)13-25(28,29)
    30/h5-11,14H,13,35H2,1-4H
    3,(H,36,37)/t26-/m0/s1;
    IWWMJNMFKYGJIC-SANMLTNESA-N    		 CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)
    [S](=O)(=O)N(C)CC(F)(F)F)C(=C(N)Oc4n[nH]
    c(C)c14)C#N; Cc1c2c(n[nH]1)OC(=C(C2(c3cc
    (cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)C
    C(F)(F)F)C(C)C)C#N)N; Cc1c2c(n[nH]1)OC(=
    C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S
    (=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N; CC(C)
    [C@]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](
    =O)(=O)N(C)CC(F)(F)F)C(=C(N)Oc4n[nH]c(C)
    c14)C#N    		 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide;
    (s)-3'-(6-amino-5-cyano-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-sulfonamide
    10209 8A4 2 C31 H25 Cl2 N5 O2 InChI=1S/C31H25Cl2N5O2/c1
    -37-19-34-18-28(37)31(39,
    21-6-9-23(32)10-7-21)22-8
    -13-27-25(17-22)29(33)26(
    30(36-27)40-2)16-20-4-11-
    24(12-5-20)38-15-3-14-35-
    38/h3-15,17-19,39H,16H2,1
    -2H3/t31-/m1/s1;
    UWOBQISTECYGOP-WJOKGBTCSA-N    		 Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c
    (c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O; c1cc
    4c(cc1C(c2ccc(cc2)Cl)(c3cncn3C)O)c(c(c(O
    C)n4)Cc5ccc(cc5)n6cccn6)Cl; COc1nc2ccc(c
    c2c(Cl)c1Cc3ccc(cc3)n4cccn4)[C@](O)(c5cc
    c(Cl)cc5)c6cncn6C; COc1nc2ccc(cc2c(Cl)c1
    Cc3ccc(cc3)n4cccn4)[C](O)(c5ccc(Cl)cc5)c
    6cncn6C; Cn1cncc1C(c2ccc(cc2)Cl)(c3ccc4c
    (c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O    		 (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
    10210 8A5
    CHEMBL1364126
    ZINC000019633054    		 1 C13 H19 N O3 InChI=1S/C13H19NO3/c1-15-
    12-4-3-11(9-13(12)16-2)10
    -14-5-7-17-8-6-14/h3-4,9H
    ,5-8,10H2,1-2H3;
    BVODXXKHVBGLJY-UHFFFAOYSA-N    		 COc1ccc(cc1OC)CN1CCOCC1; COc1ccc(cc1OC)C
    N2CCOCC2; COc1ccc(CN2CCOCC2)cc1OC    		 4-[(3,4-dimethoxyphenyl)methyl]morpholine
    10211 8A6 5 C32 H30 F3 N5 O3 S InChI=1S/C32H30F3N5O3S/c1
    -19(2)31(27(17-36)29(37)4
    3-30-28(31)20(3)38-39-30)
    24-14-23(15-25(16-24)32(3
    3,34)35)22-10-12-26(13-11
    -22)44(41,42)40(4)18-21-8
    -6-5-7-9-21/h5-16,19H,18,
    37H2,1-4H3,(H,38,39)/t31-
    /m0/s1;
    DBROLDANENNIQJ-HKBQPEDESA-N    		 CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)
    [S](=O)(=O)N(C)Cc4ccccc4)C(=C(N)Oc5n[nH]
    c(C)c15)C#N; Cc1c2c(n[nH]1)OC(=C(C2(c3cc
    (cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)C
    c5ccccc5)C(C)C)C#N)N; CC(C)[C@]1(c2cc(cc
    (c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)Cc
    4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N; Cc1c
    2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F
    )F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)
    C)C#N)N    		 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide;
    4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide
    10212 8A7
    CHEMBL3990804
    DB06519    		 4 C24 H20 N2 O4 S2 InChI=1S/C24H20N2O4S2/c1-
    14-18(25-23(30-14)15-5-3-
    2-4-6-15)9-11-29-19-8-7-1
    6(21-17(19)10-12-31-21)13
    -20-22(27)26-24(28)32-20/
    h2-8,10,12,20H,9,11,13H2,
    1H3,(H,26,27,28);
    HAAXAFNSRADSMK-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC
    5C(=O)NC(=O)S5; Cc1oc(nc1CCOc2ccc(C[CH]3
    SC(=O)NC3=O)c4sccc24)c5ccccc5; c5ccc(c4o
    c(C)c(CCOc2ccc(c1c2ccs1)CC3SC(=O)NC3=O)n
    4)cc5; Cc1oc(nc1CCOc2ccc(C[C@H]3SC(=O)NC
    3=O)c4sccc24)c5ccccc5    		 (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione;
    Edaglitazone
    10213 8A8 1 C15 H16 N2 O3 InChI=1S/C15H16N2O3/c18-1
    4-12-7-6-11(8-13(12)15(19
    )17-16-14)20-9-10-4-2-1-3
    -5-10/h6-8,10H,1-5,9H2;
    FJVMZSOVKUYXNA-UHFFFAOYSA-N    		 O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12; c1cc2
    c(cc1OCC3CCCCC3)C(=O)N=NC2=O    		 6-(cyclohexylmethoxy)phthalazine-1,4-dione
    10214 8AA
    ZINC000584905432    		 0 C26 H25 N6 O7 P InChI=1S/C26H25N6O7P/c1-1
    3(33)31(18-7-6-16-8-14-4-
    2-3-5-15(14)9-17(16)10-18
    )26-28-22-23(29-25(27)30-
    24(22)35)32(26)21-11-19(3
    4)20(39-21)12-38-40(36)37
    /h2-10,19-21,34,36-37H,11
    -12H2,1H3,(H3,27,29,30,35
    )/t19-,20+,21+/m0/s1;
    RRBSUYWZIMIROG-PWRODBHTSA-N    		 CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4C6
    CC(C(O6)COP(O)O)O)NC(=NC5=O)N; P(OCC6C(C
    C(n5c1NC(=NC(c1nc5N(c4ccc3cc2ccccc2cc3c4
    )C(C)=O)=O)N)O6)O)(O)O; CC(=O)N(c1ccc2cc
    3ccccc3cc2c1)c4nc5C(=O)N=C(N)Nc5n4[CH]6C
    [CH](O)[CH](COP(O)O)O6; CC(=O)N(c1ccc2cc
    3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H
    ](O6)COP(O)O)O)NC(=NC5=O)N; CC(=O)N(c1cc
    c2cc3ccccc3cc2c1)c4nc5C(=O)N=C(N)Nc5n4[C
    @H]6C[C@H](O)[C@@H](COP(O)O)O6    		 8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-O-(dihydroxyphosphanyl)guanosine
    10215 8AB
    ZINC000052783518    		 1 C11 H17 N3 InChI=1S/C11H17N3/c1-9-4-
    3-5-11(13-9)14-7-6-12-10(
    2)8-14/h3-5,10,12H,6-8H2,
    1-2H3/t10-/m0/s1;
    YCMYTWGABUXSEI-JTQLQIEISA-N    		 Cc1cccc(n1)N2CCNC(C2)C; C[CH]1CN(CCN1)c2
    cccc(C)n2; C[C@H]1CN(CCN1)c2cccc(C)n2; C
    c1nc(ccc1)N1CC(C)NCC1; Cc1cccc(n1)N2CCN[
    C@H](C2)C    		 (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
    10216 8AC
    CHEMBL196105
    ZINC000001689483    		 14 C8 H17 N O2 InChI=1S/C8H17NO2/c9-7-5-
    3-1-2-4-6-8(10)11/h1-7,9H
    2,(H,10,11);
    UQXNEWQGGVUVQA-UHFFFAOYSA-N    		 C(CCCC(=O)O)CCCN; NCCCCCCCC(O)=O; O=C(O)
    CCCCCCCN    		 8-aminooctanoic acid;
    8-aminocaprylic acid
    10217 8AD
    CHEMBL286237
    ZINC000005957572    		 0 C20 H24 N4 O InChI=1S/C20H24N4O/c1-24(
    2)13-6-5-12-22-20(25)16-1
    0-7-9-15-18(21)14-8-3-4-1
    1-17(14)23-19(15)16/h3-4,
    7-11H,5-6,12-13H2,1-2H3,(
    H2,21,23)(H,22,25);
    AMFZHKPIXJORQY-UHFFFAOYSA-N    		 CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12;
    CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N; O=
    C(c2cccc1c(c3c(nc12)cccc3)N)NCCCCN(C)C    		 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE
    10218 8AE
    CHEMBL5186967    		 1 C12 H15 N O2 InChI=1S/C12H15NO2/c13-12
    (14)10-4-6-11(7-5-10)15-8
    -9-2-1-3-9/h4-7,9H,1-3,8H
    2,(H2,13,14);
    BFGNGDGWDOFCPT-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)OCC2CCC2; NC(=O)c1ccc(OC
    C2CCC2)cc1    		 4-(cyclobutylmethoxy)benzamide
    10219 8AF 0 C23 H23 N6 O6 P InChI=1S/C23H23N6O6P/c24-
    22-27-20-19(21(31)28-22)2
    6-23(29(20)18-9-16(30)17(
    35-18)10-34-36(32)33)25-1
    3-6-5-12-7-11-3-1-2-4-14(
    11)15(12)8-13/h1-6,8,16-1
    8,30,32-33H,7,9-10H2,(H,2
    5,26)(H3,24,27,28,31)/t16
    -,17+,18+/m0/s1;
    VSBNWWDZIACPPS-RCCFBDPRSA-N    		 c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4C6CC(C
    (O6)COP(O)O)O)NC(=NC5=O)N; NC1=NC(=O)c2n
    c(Nc3ccc4Cc5ccccc5c4c3)n([C@H]6C[C@H](O)
    [C@@H](COP(O)O)O6)c2N1; NC1=NC(=O)c2nc(N
    c3ccc4Cc5ccccc5c4c3)n([CH]6C[CH](O)[CH](
    COP(O)O)O6)c2N1; c1ccc-2c(c1)Cc3c2cc(cc3
    )Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)
    O)O)NC(=NC5=O)N    		 [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
    10220 8AG
    ZINC000058638387    		 0 C26 H27 N6 O8 P InChI=1S/C26H27N6O8P/c1-1
    3(33)31(18-7-6-16-8-14-4-
    2-3-5-15(14)9-17(16)10-18
    )26-28-22-23(29-25(27)30-
    24(22)35)32(26)21-11-19(3
    4)20(40-21)12-39-41(36,37
    )38/h2-10,19-21,26,28,34H
    ,11-12H2,1H3,(H2,36,37,38
    )(H3,27,29,30,35)/t19-,20
    +,21+,26+/m0/s1;
    OCECNASCCDEYBO-GQNXPXPTSA-N    		 CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[
    C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(
    NC5=O)N; CC(=O)N([C@H]1NC2=C(N=C(N)NC2=O
    )N1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O
    3)c4ccc5cc6ccccc6cc5c4; CC(=O)N(c1ccc2cc
    3ccccc3cc2c1)C4NC5=C(N4C6CC(C(O6)COP(=O)
    (O)O)O)N=C(NC5=O)N; CC(=O)N([CH]1NC2=C(N
    =C(N)NC2=O)N1[CH]3C[CH](O)[CH](CO[P](O)(
    O)=O)O3)c4ccc5cc6ccccc6cc5c4; O=C(N(c3cc
    2cc1ccccc1cc2cc3)C5N(C=4N=C(N)NC(=O)C=4N
    5)C6OC(C(O)C6)COP(=O)(O)O)C    		 8-[ACETYL(ANTHRACEN-2-YL)AMINO]-2'-DEOXYGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
    10221 8AH 0 C12 H18 N5 O7 P InChI=1S/C12H18N5O7P/c1-4
    -14-10(13)7-11(15-4)17(5(
    2)16-7)12-9(19)8(18)6(24-
    12)3-23-25(20,21)22/h6,8-
    9,12,18-19H,3H2,1-2H3,(H2
    ,13,14,15)(H2,20,21,22)/t
    6-,8-,9-,12-/m1/s1;
    YUHKBTJEYBIOJY-WOUKDFQISA-N    		 O=P(O)(O)OCC1OC(n2c(C)nc3c(N)nc(C)nc32)C
    (O)C1O; Cc1nc(N)c2nc(C)n([CH]3O[CH](CO[P
    ](O)(O)=O)[CH](O)[CH]3O)c2n1; Cc1nc(c2c(
    n1)n(c(n2)C)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    ; Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@
    @H]([C@H](O3)COP(=O)(O)O)O)O)N; Cc1nc(N)
    c2nc(C)n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@
    @H](O)[C@H]3O)c2n1    		 5'-O-(dihydroxyphosphanyl)-2,8-dimethyladenosine
    10222 8AI
    CHEMBL600773
    ZINC000004350610    		 1 C18 H19 F N2 InChI=1S/C18H19FN2/c19-13
    -9-7-12(8-10-13)11-21-16-
    5-1-3-14(16)18(20)15-4-2-
    6-17(15)21/h7-10,20H,1-6,
    11H2;
    DTKPOBDBQAIYNS-UHFFFAOYSA-N    		 c1cc(ccc1CN2C3=C(CCC3)C(=N)C4=C2CCC4)F;
    Fc1ccc(CN2C3=C(CCC3)C(=N)C4=C2CCC4)cc1    		 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine
    10223 8AJ
    CHEMBL337420
    ZINC000027329107    		 8 C20 H19 Cl N4 InChI=1S/C20H19ClN4/c1-24
    (2)11-10-19-22-23-20-13-1
    6(14-6-4-3-5-7-14)17-12-1
    5(21)8-9-18(17)25(19)20/h
    3-9,12-13H,10-11H2,1-2H3;
    LYLASWLQCMKZAT-UHFFFAOYSA-N    		 c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)
    c4; CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc
    4)Cl; CN(C)CCc1nnc2cc(c3ccccc3)c4cc(Cl)c
    cc4n12    		 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine;
    PF-02929366
    10224 8AK
    ZINC000071186148    		 1 C11 H16 N2 O2 InChI=1S/C11H16N2O2/c1-7(
    2)13(9-4-5-9)11(14)10-6-8
    (3)15-12-10/h6-7,9H,4-5H2
    ,1-3H3;
    KOQGLXMVOJEOLV-UHFFFAOYSA-N    		 Cc1cc(no1)C(=O)N(C1CC1)C(C)C; Cc1cc(no1)
    C(=O)N(C2CC2)C(C)C; CC(C)N(C1CC1)C(=O)c2
    cc(C)on2    		 N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
    10225 8AM 1 C20 H28 F N9 O2 InChI=1S/C20H28FN9O2/c1-6
    -15(31)23-13-9-29(7-12(13
    )21)20-25-17(24-14-8-28(4
    )27-19(14)32-5)16-18(26-2
    0)30(10-22-16)11(2)3/h8,1
    0-13H,6-7,9H2,1-5H3,(H,23
    ,31)(H,24,25,26)/t12-,13-
    /m1/s1;
    MJLFLAORJNTNDV-CHWSQXEVSA-N    		 CCC(=O)N[CH]1CN(C[CH]1F)c2nc(Nc3cn(C)nc3
    OC)c4ncn(C(C)C)c4n2; CCC(=O)NC1CN(CC1F)c
    2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C; CC
    C(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(c
    n3)C(C)C)Nc4cn(nc4OC)C; CCC(=O)N[C@@H]1C
    N(C[C@H]1F)c2nc(Nc3cn(C)nc3OC)c4ncn(C(C)
    C)c4n2; C1C(NC(=O)CC)C(CN1c3nc(Nc2cn(C)n
    c2OC)c4c(n3)n(cn4)C(C)C)F    		 N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
    10226 8AN
    ZINC000004097312    		 1 C10 H15 N6 O6 P InChI=1S/C10H15N6O6P/c11-
    5-4(1-21-23(18,19)20)22-1
    0(7(5)17)16-3-15-6-8(12)1
    3-2-14-9(6)16/h2-5,7,10,1
    7H,1,11H2,(H2,12,13,14)(H
    2,18,19,20)/t4-,5-,7-,10-
    /m1/s1;
    WIVGZDLLXCRANL-QYYRPYCUSA-N    		 O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N
    ; N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)
    n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)O)N)O)N; N[C@H]1[C@@H](
    O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N
    )ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(O)O)N)O)N    		 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
    10227 8AO 5 C31 H27 F3 N4 O3 S InChI=1S/C31H27F3N4O3S/c1
    -18(2)30(26(16-35)28(36)4
    1-29-27(30)19(3)37-38-29)
    23-13-22(14-24(15-23)31(3
    2,33)34)21-9-11-25(12-10-
    21)42(39,40)17-20-7-5-4-6
    -8-20/h4-15,18H,17,36H2,1
    -3H3,(H,37,38)/t30-/m0/s1;
    PGTUNNBRJSLXTJ-PMERELPUSA-N    		 Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(
    F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)
    C)C#N)N; Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(
    c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5
    )C(C)C)C#N)N; CC(C)[C@]1(c2cc(cc(c2)C(F)
    (F)F)c3ccc(cc3)[S](=O)(=O)Cc4ccccc4)C(=C
    (N)Oc5n[nH]c(C)c15)C#N; CC(C)[C]1(c2cc(c
    c(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)Cc4cc
    ccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N    		 (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile;
    (S)-6-amino-4-(4'-(benzylsulfonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3 -c]pyrazole-5-carbonitrile
    10228 8AP
    CHEMBL435747
    DB07281
    ZINC000010339550    		 1 C12 H13 N3 InChI=1S/C12H13N3/c13-12-
    11(7-4-8-14-12)15-9-10-5-
    2-1-3-6-10/h1-8,15H,9H2,(
    H2,13,14);
    MUKAGFLFIMVSQN-UHFFFAOYSA-N    		 Nc1ncccc1NCc2ccccc2; n2cccc(NCc1ccccc1)c
    2N; c1ccc(cc1)CNc2cccnc2N    		 N~3~-BENZYLPYRIDINE-2,3-DIAMINE
    10229 8AQ
    CHEMBL5185276    		 1 C15 H21 N O3 InChI=1S/C15H21NO3/c1-18-
    14-9-12(7-8-13(14)15(16)1
    7)19-10-11-5-3-2-4-6-11/h
    7-9,11H,2-6,10H2,1H3,(H2,
    16,17);
    AELPJNFNRYUNNH-UHFFFAOYSA-N    		 COc1cc(OCC2CCCCC2)ccc1C(N)=O; COc1cc(ccc
    1C(=O)N)OCC2CCCCC2    		 4-(cyclohexylmethoxy)-2-methoxy-benzamide
    10230 8AR 2 As H O4 InChI=1S/AsH3O4/c2-1(3,4)
    5/h(H3,2,3,4,5)/p-2;
    DJHGAFSJWGLOIV-UHFFFAOYSA-L    		 [O-][As]([O-])(=O)O; O[As]([O-])([O-])=O
    ; O[As](=O)([O-])[O-]    		 hydrogen arsenate
    10231 8AS
    CHEMBL1623240
    ZINC000001235155    		 0 C7 H13 N O3 InChI=1S/C7H13NO3/c9-7(10
    )1-2-8-3-5-11-6-4-8/h1-6H
    2,(H,9,10);
    YUYHRSGXZZVNMS-UHFFFAOYSA-N    		 C1COCCN1CCC(=O)O; O=C(CCN1CCOCC1)O; OC(=
    O)CCN1CCOCC1    		 3-(morpholin-4-yl)propanoic acid
    10232 8AT 5 C11 H12 N2 InChI=1S/C11H12N2/c1-8-7-
    10(12)9-5-3-4-6-11(9)13(8
    )2/h3-7,12H,1-2H3/b12-10+;
    LUHYAOUKGPHLIP-ZRDIBKRKSA-N    		 CN1C(=CC(=N)c2ccccc12)C; CC1=CC(=N)c2ccc
    cc2N1C; [H]/N=C/1\C=C(N(c2c1cccc2)C)C    		 1,2-dimethylquinolin-4-imine
    10233 8AU 5 C24 H20 Cl F3 N4 O InChI=1S/C24H20ClF3N4O/c1
    -12(2)23(18(11-29)21(30)3
    3-22-20(23)13(3)31-32-22)
    15-8-14(9-16(10-15)24(26,
    27)28)17-6-4-5-7-19(17)25
    /h4-10,12H,30H2,1-3H3,(H,
    31,32)/t23-/m0/s1;
    MHJHVTMVGRIZDH-QHCPKHFHSA-N    		 Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(
    F)(F)F)c4ccccc4Cl)C(C)C)C#N)N; Cc1c2c(n[
    nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4cccc
    c4Cl)C(C)C)C#N)N; CC(C)[C]1(c2cc(cc(c2)C
    (F)(F)F)c3ccccc3Cl)C(=C(N)Oc4n[nH]c(C)c1
    4)C#N; CC(C)[C@]1(c2cc(cc(c2)C(F)(F)F)c3
    ccccc3Cl)C(=C(N)Oc4n[nH]c(C)c14)C#N    		 (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile;
    (S)-6-amino-4-(2'-chloro-5-(trifluoromethyl)-[1,1-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole -5-carbonitrile
    10234 8AV
    ZINC000035677023    		 0 C8 H18 N2 InChI=1S/C8H18N2/c9-6-8(1
    0)7-4-2-1-3-5-7/h7-8H,1-6
    ,9-10H2/t8-/m1/s1;
    ZGITYUSQHMGSRF-MRVPVSSYSA-N    		 NC[CH](N)C1CCCCC1; NC(C1CCCCC1)CN; C1CCC
    (CC1)C(CN)N; C1CCC(CC1)[C@@H](CN)N; NC[C
    @@H](N)C1CCCCC1    		 (1S)-1-cyclohexylethane-1,2-diamine
    10235 8AW
    ZINC000095921029    		 1 C28 H35 N3 O3 S InChI=1S/C28H35N3O3S/c1-3
    -21(2)27(32)30-24(16-22-1
    0-6-4-7-11-22)14-15-25(17
    -23-12-8-5-9-13-23)31-28(
    33)34-19-26-18-29-20-35-2
    6/h4-13,18,20-21,24-25H,3
    ,14-17,19H2,1-2H3,(H,30,3
    2)(H,31,33)/t21-,24+,25+/
    m0/s1;
    BKYKAZAUMANNMI-FTBPSBKWSA-N    		 CC[CH](C)C(=O)N[CH](CC[CH](Cc1ccccc1)NC(
    =O)OCc2scnc2)Cc3ccccc3; O=C(OCc1scnc1)NC
    (Cc2ccccc2)CCC(NC(=O)C(C)CC)Cc3ccccc3; C
    C[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)N
    C(=O)OCc2cncs2)Cc3ccccc3; CC[C@H](C)C(=O
    )N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2scnc
    2)Cc3ccccc3; CCC(C)C(=O)NC(CCC(Cc1ccccc1
    )NC(=O)OCc2cncs2)Cc3ccccc3    		 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    10236 8AX
    CHEMBL1824855
    ZINC000072181169    		 2 C21 H27 Cl F2 N4 O InChI=1S/C21H27ClF2N4O/c1
    -14-7-18(28-20(25)8-14)9-
    15-11-27-12-19(15)29-6-5-
    26-13-21(23,24)16-3-2-4-1
    7(22)10-16/h2-4,7-8,10,15
    ,19,26-27H,5-6,9,11-13H2,
    1H3,(H2,25,28)/t15-,19+/m
    1/s1;
    UAYPWJGHCQAPDA-BEFAXECRSA-N    		 Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)C
    l)(F)F; Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(
    F)(F)c3cccc(Cl)c3)c1; Clc1cccc(c1)C(F)(F
    )CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C; Cc1cc(N)
    nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c3cccc(
    Cl)c3)c1; Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H
    ]2OCCNCC(c3cccc(c3)Cl)(F)F    		 6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
    10237 8AY 0 C13 H16 N2 O2 S InChI=1S/C13H16N2O2S/c1-7
    (2)8-3-4-10-11(5-8)18-12(
    15-10)6-9(14)13(16)17/h3-
    5,7,9H,6,14H2,1-2H3,(H,16
    ,17)/t9-/m0/s1;
    FHFZVXAZMGSTPH-VIFPVBQESA-N    		 CC(C)c1ccc2nc(C[CH](N)C(O)=O)sc2c1; C(C)
    (C)c2cc1c(nc(s1)CC(N)C(=O)O)cc2; CC(C)c1
    ccc2c(c1)sc(n2)CC(C(=O)O)N; CC(C)c1ccc2n
    c(C[C@H](N)C(O)=O)sc2c1; CC(C)c1ccc2c(c1
    )sc(n2)C[C@@H](C(=O)O)N    		 3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanine
    10238 8AZ
    ZINC000584905433    		 0 C9 H14 N5 O8 P InChI=1S/C9H14N5O8P/c15-5
    -3(1-21-23(18,19)20)22-9(
    6(5)16)14-7-4(12-13-14)8(
    17)11-2-10-7/h2-3,5-6,8-9
    ,15-17H,1H2,(H,10,11)(H2,
    18,19,20)/t3-,5-,6-,8-,9-
    /m1/s1;
    SBZIEWBNPJQPBV-TWZMMTIKSA-N    		 C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)O)O)O)[C@H](N1)O; O[CH]1NC=Nc
    2n(nnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O
    )[CH]3O; C1=Nc2c(nnn2C3C(C(C(O3)COP(=O)(
    O)O)O)O)C(N1)O; O[C@H]1NC=Nc2n(nnc12)[C@
    @H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3
    O    		 8-aza-nebularine-5'-monophosphate
    10239 8B0 5 C25 H20 F3 N5 O InChI=1S/C25H20F3N5O/c1-1
    3(2)24(20(12-30)22(31)34-
    23-21(24)14(3)32-33-23)17
    -8-16(9-18(10-17)25(26,27
    )28)19-7-5-4-6-15(19)11-2
    9/h4-10,13H,31H2,1-3H3,(H
    ,32,33)/t24-/m0/s1;
    ZYSRKKYQJKRKDR-DEOSSOPVSA-N    		 CC(C)[C@]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C
    #N)C(=C(N)Oc4n[nH]c(C)c14)C#N; Cc1c2c(n[
    nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4cccc
    c4C#N)C(C)C)C#N)N; CC(C)[C]1(c2cc(cc(c2)
    C(F)(F)F)c3ccccc3C#N)C(=C(N)Oc4n[nH]c(C)
    c14)C#N; Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc
    (cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N    		 (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile;
    (s)-6-amino-4-(2'-cyano-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
    10240 8B1
    CHEMBL4517307    		 6 C31 H47 N5 O4 S InChI=1S/C31H47N5O4S/c1-4
    -28(37)33-25(19-30-34-24-
    11-10-23(21(2)3)18-27(24)
    41-30)31(39)35-26(22-8-6-
    5-7-9-22)20-32-29(38)12-1
    3-36-14-16-40-17-15-36/h1
    0-11,18,21-22,25-26H,4-9,
    12-17,19-20H2,1-3H3,(H,32
    ,38)(H,33,37)(H,35,39)/t2
    5-,26+/m0/s1;
    CNJKDQGPBAWNRY-IZZNHLLZSA-N    		 CCC(=O)N[C@@H](Cc1sc2cc(ccc2n1)C(C)C)C(=
    O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4; CCC
    (=O)N[CH](Cc1sc2cc(ccc2n1)C(C)C)C(=O)N[C
    H](CNC(=O)CCN3CCOCC3)C4CCCCC4; CCC(=O)N[
    C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](
    CNC(=O)CCN3CCOCC3)C4CCCCC4; CCC(=O)NC(Cc
    1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)CCN3C
    COCC3)C4CCCCC4; O=C(CCN1CCOCC1)NCC(NC(C(
    NC(CC)=O)Cc3sc2cc(C(C)C)ccc2n3)=O)C4CCCC
    C4    		 N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
    10241 8B2
    ZINC000001304657    		 1 C12 H18 N2 O InChI=1S/C12H18N2O/c1-10(
    13)11-2-4-12(5-3-11)14-6-
    8-15-9-7-14/h2-5,10H,6-9,
    13H2,1H3/t10-/m1/s1;
    NQOHGGYEBXCWJV-SNVBAGLBSA-N    		 CC(N)c1ccc(cc1)N1CCOCC1; C[C@H](c1ccc(cc
    1)N2CCOCC2)N; C[C@@H](N)c1ccc(cc1)N2CCOC
    C2; CC(c1ccc(cc1)N2CCOCC2)N; C[CH](N)c1c
    cc(cc1)N2CCOCC2    		 (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
    10242 8B3 5 C24 H20 F4 N4 O InChI=1S/C24H20F4N4O/c1-1
    2(2)23(18(11-29)21(30)33-
    22-20(23)13(3)31-32-22)15
    -8-14(9-16(10-15)24(26,27
    )28)17-6-4-5-7-19(17)25/h
    4-10,12H,30H2,1-3H3,(H,31
    ,32)/t23-/m0/s1;
    ODGVACPFBGBPRF-QHCPKHFHSA-N    		 CC(C)[C@]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3F
    )C(=C(N)Oc4n[nH]c(C)c14)C#N; CC(C)[C]1(c
    2cc(cc(c2)C(F)(F)F)c3ccccc3F)C(=C(N)Oc4n
    [nH]c(C)c14)C#N; Cc1c2c(n[nH]1)OC(=C([C@
    @]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)
    C#N)N; Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3
    )C(F)(F)F)c4ccccc4F)C(C)C)C#N)N    		 (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile;
    (s)-6-amino-4-(2'-fluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol e-5-carbonitrile
    10243 8B4 1 C11 H16 F N5 O9 P2 InChI=1S/C11H16FN5O9P2/c1
    -11(12)7(18)6(3-24-28(22,
    23)26-27(19,20)21)25-8(11
    )5-2-14-10-9(13)15-4-16-1
    7(5)10/h2,4,6-8,18H,3H2,1
    H3,(H,22,23)(H2,13,15,16)
    (H2,19,20,21)/t6-,7-,8+,1
    1-/m1/s1;
    ITUZUOFEWXEZBP-HGIWHZBTSA-N    		 C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O
    )OP(=O)(O)O)c2cnc3n2ncnc3N)F; CC1(C(OC(C
    1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F
    ; C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O
    )(O)=O)O[CH]1c2cnc3n2ncnc3N; c2nc1c(ncnn
    1c2C3C(F)(C)C(O)C(O3)COP(OP(O)(O)=O)(O)=
    O)N; C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(=
    O)O[P](O)(O)=O)O[C@H]1c2cnc3n2ncnc3N    		 (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol
    10244 8B5 1 C15 H9 Br N2 O3 InChI=1S/C15H9BrN2O3/c16-
    10-3-1-2-9(6-10)8-21-11-4
    -5-12-13(7-11)15(20)18-17
    -14(12)19/h1-7H,8H2;
    IBBBSWKNUHVKGM-UHFFFAOYSA-N    		 c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O;
    Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1    		 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione
    10245 8B6
    CHEMBL242711
    ZINC000005842977    		 1 C11 H6 O4 InChI=1S/C11H6O4/c12-10-2
    -1-6-9(15-10)5-8-7(11(6)1
    3)3-4-14-8/h1-5,13H;
    GIJHDGJRTUSBJR-UHFFFAOYSA-N    		 c1coc2c1c(c3c(c2)OC(=O)C=C3)O; Oc1c2ccoc
    2cc3OC(=O)C=Cc13    		 4-oxidanylfuro[3,2-g]chromen-7-one
    10246 8B7 0 C18 H32 O15 InChI=1S/C18H32O15/c1-4-7
    (21)9(23)13(27)17(29-4)33
    -15-10(24)8(22)5(2-19)31-
    18(15)32-14-6(3-20)30-16(
    28)12(26)11(14)25/h4-28H,
    2-3H2,1H3/t4-,5+,6+,7+,8-
    ,9+,10-,11+,12+,13-,14+,1
    5+,16+,17-,18-/m0/s1;
    SNFSYLYCDAVZGP-OHWKOEMOSA-N    		 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@
    @H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@
    H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O
    )O)O; CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(
    C(C3O)O)O)CO)CO)O)O)O)O)O; C[C@@H]1O[C@@
    H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O
    [C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[
    C@@H]3CO)[C@@H](O)[C@H](O)[C@@H]1O; C[CH
    ]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH
    ]2O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[C
    H](O)[CH](O)[CH]1O; C3(OC2C(OC1C(C(C(OC1
    CO)O)O)O)OC(C(C2O)O)CO)C(O)C(O)C(O)C(O3)
    C    		 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
    10247 8B8
    CHEMBL405908
    ZINC000003951093    		 1 C32 H36 N6 O5 InChI=1S/C32H36N6O5/c1-31
    (18-22-19-33-27-9-5-4-8-2
    6(22)27,37-30(40)36-23-10
    -12-24(13-11-23)38(41)42)
    29(39)35-21-32(16-6-3-7-1
    7-32)28-15-14-25(43-2)20-
    34-28/h4-5,8-15,19-20,33H
    ,3,6-7,16-18,21H2,1-2H3,(
    H,35,39)(H2,36,37,40)/t31
    -/m0/s1;
    NNFUWNLENRUDHR-HKBQPEDESA-N    		 C[C@](Cc1c[nH]c2c1cccc2)(C(=O)NCC3(CCCCC
    3)c4ccc(cn4)OC)NC(=O)Nc5ccc(cc5)[N+](=O)
    [O-]; COc1ccc(nc1)C2(CCCCC2)CNC(=O)[C@](
    C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5ccc(cc5)[N
    +]([O-])=O; CC(Cc1c[nH]c2c1cccc2)(C(=O)N
    CC3(CCCCC3)c4ccc(cn4)OC)NC(=O)Nc5ccc(cc5
    )[N+](=O)[O-]; COc1ccc(nc1)C2(CCCCC2)CNC
    (=O)[C](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5cc
    c(cc5)[N+]([O-])=O    		 (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
    10248 8B9 0 C8 H15 N O5 InChI=1S/C8H15NO5/c1-4(11
    )9-7-6(12)2-5(3-10)14-8(7
    )13/h5-8,10,12-13H,2-3H2,
    1H3,(H,9,11)/t5-,6-,7+,8-
    /m0/s1;
    LLRSBEXKLNOWPS-HSNKUXOKSA-N    		 CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O; CC(
    =O)N[C@@H]1[C@@H](O)C[C@@H](CO)O[C@@H]1O
    ; CC(=O)NC1C(CC(OC1O)CO)O; CC(=O)N[C@@H]
    1[C@H](C[C@H](O[C@@H]1O)CO)O    		 2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose;
    N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide;
    2-acetamido-2,4-dideoxy-alpha-D-xylo-hexose;
    2-acetamido-2,4-dideoxy-D-xylo-hexose;
    2-acetamido-2,4-dideoxy-xylo-hexose
    10249 8BA 0 C10 H12 Br N5 O6 P InChI=1S/C10H12BrN5O6P/c1
    1-10-15-7-8(12)13-3-14-9(
    7)16(10)6-1-4(17)5(22-6)2
    -21-23(18,19)20/h3-6,17H,
    1-2H2,(H2,12,13,14)(H,18,
    19,20)/t4-,5+,6+/m0/s1;
    MQSWICGOHWVNLL-KVQBGUIXSA-N    		 Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](CO[P](O)
    (=O)=O)O3)c(Br)nc12; c1nc(c2c(n1)n(c(n2)
    Br)C3CC(C(O3)COP(=O)(=O)O)O)N; c1nc(c2c(
    n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(
    =O)(=O)O)O)N; Nc1ncnc2n([CH]3C[CH](O)[CH
    ](CO[P](O)(=O)=O)O3)c(Br)nc12    		 8-bromo-deoxyadenosine-5'-monophosphate
    10250 8BB 0 C10 H16 N2 O3 S InChI=1S/C10H16N2O3S/c11-
    8(5-16)12-9(13)6-1-3-7(4-
    2-6)10(14)15/h5-7,16H,1-4
    ,11H2,(H,12,13)(H,14,15)/
    b8-5+/t6-,7-;
    CDTJVPQETGXMJI-YMPIFHGYSA-N    		 C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O; C1CC(C
    CC1C(=O)NC(=CS)N)C(=O)O; NC(NC(=O)[CH]1C
    C[CH](CC1)C(O)=O)=CS; O=C(O)C1CCC(C(=O)N
    C(=C\S)\N)CC1; N\C(NC(=O)[C@H]1CC[C@@H](
    CC1)C(O)=O)=C/S    		 trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
    10251 8BC
    ZINC000000166840    		 1 C9 H8 F N O3 InChI=1S/C9H8FNO3/c1-5(12
    )11-7-4-2-3-6(10)8(7)9(13
    )14/h2-4H,1H3,(H,11,12)(H
    ,13,14);
    IWTHKNXLQDASPO-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(c1C(=O)O)F; CC(=O)Nc1cccc(
    F)c1C(O)=O; O=C(C)Nc1cccc(F)c1C(=O)O    		 2-acetamido-6-fluorobenzoic acid
    10252 8BD
    DB07282
    ZINC000064426426    		 2 C11 H13 N O4 InChI=1S/C11H13NO4/c1-15-
    10-5-3-2-4-9(10)8-12-16-7
    -6-11(13)14/h2-5,8H,6-7H2
    ,1H3,(H,13,14)/b12-8-;
    HNYXMVDBRIIJGT-WQLSENKSSA-N    		 COc1ccccc1C=NOCCC(O)=O; COc1ccccc1C=NOCC
    C(=O)O; COc1ccccc1\C=N/OCCC(=O)O; O=C(O)
    CCO\N=C/c1ccccc1OC; COc1ccccc1\C=N/OCCC(
    O)=O    		 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid;
    (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid
    10253 8BE
    CHEMBL5198615    		 1 C15 H14 Br N O3 InChI=1S/C15H14BrNO3/c1-1
    9-14-8-12(5-6-13(14)15(17
    )18)20-9-10-3-2-4-11(16)7
    -10/h2-8H,9H2,1H3,(H2,17,
    18);
    XLCVIUNLASFRSY-UHFFFAOYSA-N    		 COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br; COc1cc
    (OCc2cccc(Br)c2)ccc1C(N)=O    		 4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide
    10254 8BF 1 C31 H44 O4 InChI=1S/C31H44O4/c1-20(6
    -4-8-28(33)24-11-13-25(32
    )14-12-24)26-15-16-27-23(
    7-5-17-31(26,27)3)10-9-22
    -18-29(34)21(2)30(35)19-2
    2/h9-14,20,26-30,32-35H,2
    ,4-8,15-19H2,1,3H3/b23-10
    +/t20-,26-,27+,28-,29-,30
    -,31-/m1/s1;
    YBYKLULOUNBMJL-PJZOPEKWSA-N    		 C[CH](CCC[CH](O)c1ccc(O)cc1)[CH]2CC[CH]3
    C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4
    ; C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC
    [C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)
    [C@@H](C4)O)O)C; C[C@H](CCC[C@@H](O)c1cc
    c(O)cc1)[C@H]2CC[C@H]3C(/CCC[C@]23C)=C/C
    =C\4C[C@@H](O)C(=C)[C@H](O)C\4; CC(CCCC(
    c1ccc(cc1)O)O)C2CCC3C2(CCCC3=CC=C4CC(C(=
    C)C(C4)O)O)C    		 (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol;
    25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3
    10255 8BG 2 C29 H39 N3 O7 S InChI=1S/C29H39N3O7S/c1-1
    9(2)17-32(40(35,36)22-10-
    8-21(30)9-11-22)29(13-14-
    29)26(33)24(16-20-6-4-3-5
    -7-20)31-28(34)39-25-18-3
    8-27-23(25)12-15-37-27/h3
    -11,19,23-27,33H,12-18,30
    H2,1-2H3,(H,31,34)/t23-,2
    4-,25-,26-,27+/m0/s1;
    WFENPWNMNFDXOO-JSLVBRCRSA-N    		 c5c(S(N(C1(CC1)C(C(NC(OC2COC3C2CCO3)=O)C
    c4ccccc4)O)CC(C)C)(=O)=O)ccc(c5)N; CC(C)
    CN(C1(CC1)[C@@H](O)[C@H](Cc2ccccc2)NC(=O
    )O[C@H]3CO[C@H]4OCC[C@@H]34)[S](=O)(=O)c
    5ccc(N)cc5; CC(C)CN(C1(CC1)[CH](O)[CH](C
    c2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)[S
    ](=O)(=O)c5ccc(N)cc5; CC(C)CN(C1(CC1)[C@
    H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]
    4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N; CC(C
    )CN(C1(CC1)C(C(Cc2ccccc2)NC(=O)OC3COC4C3
    CCO4)O)S(=O)(=O)c5ccc(cc5)N    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
    10256 8BH
    CHEMBL65827
    ZINC000012352657    		 4 C15 H10 N6 InChI=1S/C15H10N6/c16-6-9
    (14-12(7-17)15(18)21-20-1
    4)5-10-8-19-13-4-2-1-3-11
    (10)13/h1-5,8,19H,(H3,18,
    20,21)/b9-5+;
    OJMXHLJIMZMFGX-WEVVVXLNSA-N    		 c1ccc2c(c1)c(c[nH]2)/C=C(\C#N)/c3c(c([nH
    ]n3)N)C#N; Nc1[nH]nc(C(=Cc2c[nH]c3ccccc2
    3)C#N)c1C#N; c1ccc2c(c1)c(c[nH]2)C=C(C#N
    )c3c(c([nH]n3)N)C#N; Nc1[nH]nc(C(=C/c2c[
    nH]c3ccccc23)/C#N)c1C#N    		 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile;
    Tyrphostin AG 1112
    10257 8BI
    ZINC000225449548    		 1 C12 H21 N3 InChI=1S/C12H21N3/c1-9-6-
    12(2,3)7-11(9)13-8-10-4-5
    -14-15-10/h4-5,9,11,13H,6
    -8H2,1-3H3,(H,14,15)/t9-,
    11-/m1/s1;
    VJSXSAJVDGYBFZ-MWLCHTKSSA-N    		 C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C; C[C
    @@H]1CC(C)(C)C[C@H]1NCc2cc[nH]n2; CC1(C)
    CC(NCc2cc[NH]n2)C(C)C1; CC1CC(CC1NCc2cc[
    nH]n2)(C)C; C[CH]1CC(C)(C)C[CH]1NCc2cc[n
    H]n2    		 (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine
    10258 8BJ
    CHEMBL1213603
    ZINC000016052637    		 2 C9 H16 N2 O4 S InChI=1S/C9H16N2O4S/c1-2-
    10-9-11-5-7(14)6(13)4(3-1
    2)15-8(5)16-9/h4-8,12-14H
    ,2-3H2,1H3,(H,10,11)/t4-,
    5-,6-,7-,8-/m1/s1;
    PPAIMZHKIXDJRN-FMDGEEDCSA-N    		 CCN=C1NC2C(C(C(OC2S1)CO)O)O; CCN=C1N[CH]
    2[CH](O)[CH](O)[CH](CO)O[CH]2S1; C2(CO)C
    (O)C(C1NC(/SC1O2)=N/CC)O; CCN=C1N[C@@H]2
    [C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1; C
    C/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@
    H]2S1)CO)O)O    		 (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;
    Thiamet G
    10259 8BK
    CHEMBL5185078    		 1 C11 H10 N2 O2 S InChI=1S/C11H10N2O2S/c12-
    11(14)8-1-3-9(4-2-8)15-6-
    10-5-13-7-16-10/h1-5,7H,6
    H2,(H2,12,14);
    QVXUTHMJYRUHJT-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)OCc2cncs2; NC(=O)c1ccc(O
    Cc2scnc2)cc1    		 4-(1,3-thiazol-5-ylmethoxy)benzamide
    10260 8BL
    CHEMBL4084385    		 1 C31 H42 O4 InChI=1S/C31H42O4/c1-20(6
    -4-8-28(33)24-11-13-25(32
    )14-12-24)26-15-16-27-23(
    7-5-17-31(26,27)3)10-9-22
    -18-29(34)21(2)30(35)19-2
    2/h9-14,20,26-27,29-30,32
    ,34-35H,2,4-8,15-19H2,1,3
    H3/b23-10+/t20-,26-,27+,2
    9-,30-,31-/m1/s1;
    AVOJSQKILRAHNA-SLEIQBAPSA-N    		 C[CH](CCCC(=O)c1ccc(O)cc1)[CH]2CC[CH]3C(
    CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;
    CC(CCCC(=O)c1ccc(cc1)O)C2CCC3C2(CCCC3=CC
    =C4CC(C(=C)C(C4)O)O)C; C[C@H](CCCC(=O)c1
    ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=
    C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C; C[C@H
    ](CCCC(=O)c1ccc(O)cc1)[C@H]2CC[C@H]3C(/C
    CC[C@]23C)=C/C=C/4C[C@@H](O)C(=C)[C@H](O
    )C/4    		 (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one;
    25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
    10261 8BM
    CHEMBL4206604    		 2 C25 H35 N9 O InChI=1S/C25H35N9O/c1-17(
    2)34-16-26-22-23(27-19-5-
    7-21(8-6-19)32-13-11-31(4
    )12-14-32)29-25(30-24(22)
    34)28-20-9-10-33(15-20)18
    (3)35/h5-8,16-17,20H,9-15
    H2,1-4H3,(H2,27,28,29,30)
    /t20-/m0/s1;
    ACTNABQUCQIOKX-FQEVSTJZSA-N    		 C1CC(CN1C(C)=O)Nc5nc(Nc3ccc(N2CCN(C)CC2)
    cc3)c4ncn(c4n5)C(C)C; CC(C)n1cnc2c1nc(nc
    2Nc3ccc(cc3)N4CCN(CC4)C)NC5CCN(C5)C(=O)C
    ; CC(C)n1cnc2c(Nc3ccc(cc3)N4CCN(C)CC4)nc
    (N[C@H]5CCN(C5)C(C)=O)nc12; CC(C)n1cnc2c
    (Nc3ccc(cc3)N4CCN(C)CC4)nc(N[CH]5CCN(C5)
    C(C)=O)nc12; CC(C)n1cnc2c1nc(nc2Nc3ccc(c
    c3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C    		 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium;
    1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one
    10262 8BN
    CHEMBL4297583
    DB16690    		 1 C20 H19 F2 N3 O3 InChI=1S/C20H19F2N3O3/c1-
    10-23-14-6-11(20(26)25(2)
    3)7-17(19(14)24-10)28-15-
    4-5-27-16-9-12(21)8-13(22
    )18(15)16/h6-9,15H,4-5H2,
    1-3H3,(H,23,24)/t15-/m0/s
    1;
    CLIQCDHNPDMGSL-HNNXBMFYSA-N    		 CN(C)C(=O)c1cc2[nH]c(C)nc2c(O[CH]3CCOc4c
    c(F)cc(F)c34)c1; Cc1[nH]c2cc(cc(c2n1)O[C
    @H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C; CN(C)
    C(=O)c1cc2[nH]c(C)nc2c(O[C@H]3CCOc4cc(F)
    cc(F)c34)c1; Cc1[nH]c2cc(cc(c2n1)OC3CCOc
    4c3c(cc(c4)F)F)C(=O)N(C)C    		 Tegoprazan
    10263 8BO 1 C32 H46 O4 InChI=1S/C32H46O4/c1-21(7
    -5-9-31(36-4)25-12-14-26(
    33)15-13-25)27-16-17-28-2
    4(8-6-18-32(27,28)3)11-10
    -23-19-29(34)22(2)30(35)2
    0-23/h10-15,21,27-31,33-3
    5H,2,5-9,16-20H2,1,3-4H3/
    b24-11+/t21-,27-,28+,29-,
    30-,31+,32-/m1/s1;
    LNLTYAYGVNOEBQ-CLQLOTFESA-N    		 CO[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2C(/CC
    C[C@]12C)=C/C=C3/C[C@@H](O)C(=C)[C@H](O)
    C3)c4ccc(O)cc4; CO[CH](CCC[CH](C)[CH]1CC
    [CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH]
    (O)C3)c4ccc(O)cc4; CC(CCCC(c1ccc(cc1)O)O
    C)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C
    ; C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2
    CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=
    C)[C@@H](C4)O)O)C    		 (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol;
    25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3
    10264 8BP 1 C19 H26 F N9 O InChI=1S/C19H26FN9O/c1-5-
    15(30)24-14-9-28(8-13(14)
    20)19-25-17(23-12-6-22-27
    (4)7-12)16-18(26-19)29(10
    -21-16)11(2)3/h6-7,10-11,
    13-14H,5,8-9H2,1-4H3,(H,2
    4,30)(H,23,25,26)/t13-,14
    -/m1/s1;
    CGULPICMFDDQRH-ZIAGYGMSSA-N    		 C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2)c4c(n
    3)n(cn4)C(C)C)F; CCC(=O)NC1CN(CC1F)c2nc(
    c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C; CCC(=O)N
    [C@@H]1CN(C[C@H]1F)c2nc(Nc3cnn(C)c3)c4nc
    n(C(C)C)c4n2; CCC(=O)N[C@@H]1CN(C[C@H]1F
    )c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C; CC
    C(=O)N[CH]1CN(C[CH]1F)c2nc(Nc3cnn(C)c3)c
    4ncn(C(C)C)c4n2    		 N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
    10265 8BQ
    ZINC000584905428    		 1 C19 H16 F N3 O2 InChI=1S/C19H16FN3O2/c20-
    13-3-1-2-12(6-13)18(24)16
    -9-21-8-15(16)11-4-5-14-1
    7(7-11)22-10-23-19(14)25/
    h1-7,10,15-16,21H,8-9H2,(
    H,22,23,25)/t15-,16+/m1/s
    1;
    POKNNHZYSUAARX-CVEARBPZSA-N    		 c1cc(cc(c1)F)C(=O)C2CNCC2c3ccc4c(c3)N=CN
    C4=O; Fc1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc
    4C(=O)NC=Nc4c3; Fc1cccc(c1)C(=O)[C@H]2CN
    C[C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc(c1)
    F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4
    =O    		 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
    10266 8BR
    CHEMBL1230617
    DB03349
    ZINC000013527361    		 8 C10 H13 Br N5 O7 P InChI=1S/C10H13BrN5O7P/c1
    1-10-15-4-7(12)13-2-14-8(
    4)16(10)9-6(18)5(17)3(23-
    9)1-22-24(19,20)21/h2-3,5
    -6,9,17-18H,1H2,(H2,12,13
    ,14)(H2,19,20,21)/t3-,5-,
    6-,9-/m1/s1;
    DNPIJKNXFSPNNY-UUOKFMHZSA-N    		 c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)COP(=O)
    (O)O)O)O)N; Brc2nc1c(ncnc1n2C3OC(C(O)C3O
    )COP(=O)(O)O)N; Nc1ncnc2n([CH]3O[CH](CO[
    P](O)(O)=O)[CH](O)[CH]3O)c(Br)nc12; Nc1n
    cnc2n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H]
    (O)[C@H]3O)c(Br)nc12; c1nc(c2c(n1)n(c(n2
    )Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)
    (O)O)O)O)N    		 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE
    10267 8BS 11 C18 H24 F N9 O2 InChI=1S/C18H24FN9O2/c1-5
    -13(29)21-11-8-28(6-10(11
    )19)18-23-15(14-16(24-18)
    26(2)9-20-14)22-12-7-27(3
    )25-17(12)30-4/h7,9-11H,5
    -6,8H2,1-4H3,(H,21,29)(H,
    22,23,24)/t10-,11-/m1/s1;
    XWNKXCUQRQRAFF-GHMZBOCLSA-N    		 CCC(=O)NC1CN(CC1F)c2nc(c3c(n2)n(cn3)C)Nc
    4cn(nc4OC)C; CCC(=O)N[CH]1CN(C[CH]1F)c2n
    c(Nc3cn(C)nc3OC)c4ncn(C)c4n2; C1C(NC(CC)
    =O)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)
    C)F; CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(Nc3
    cn(C)nc3OC)c4ncn(C)c4n2; CCC(=O)N[C@@H]1
    CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc
    4OC)C    		 N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
    10268 8BT
    ZINC000000304622    		 2 C6 H13 N O2 S InChI=1S/C6H13NO2S/c1-10(
    8,9)7-6-4-2-3-5-6/h6-7H,2
    -5H2,1H3;
    IJXUJLYIQLLJEP-UHFFFAOYSA-N    		 C[S](=O)(=O)NC1CCCC1; CS(=O)(=O)NC1CCCC1
    ; O=S(=O)(C)NC1CCCC1    		 N-cyclopentylmethanesulfonamide
    10269 8BU 2 C11 H17 F N5 O12 P3 InChI=1S/C11H17FN5O12P3/c
    12-11(31(22,23)29-32(24,2
    5)26)30(20,21)27-1-4-6(18
    )7(19)10(28-4)17-3-16-5-8
    (13)14-2-15-9(5)17/h2-4,6
    -7,10-11,18-19H,1H2,(H,20
    ,21)(H,22,23)(H2,13,14,15
    )(H2,24,25,26)/t4-,6-,7-,
    10-,11+/m1/s1;
    XKSDFFGXFUDVBD-MYGYUQIRSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)
    O)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO
    [P](O)(=O)[CH](F)[P](O)(=O)O[P](O)(O)=O)
    [CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[
    C@H](CO[P](O)(=O)[C@H](F)[P](O)(=O)O[P](
    O)(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)COP(=O)(C(F)P(=O)(O)OP(=O
    )(O)O)O)O)O)N    		 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
    10270 8BV
    CHEMBL4093989
    ZINC000000083593    		 4 C10 H13 N O2 InChI=1S/C10H13NO2/c1-7(2
    )13-9-6-4-3-5-8(9)10(11)1
    2/h3-7H,1-2H3,(H2,11,12);
    BTHLVVULQLRTBK-UHFFFAOYSA-N    		 c1ccc(c(c1)OC(C)C)C(=O)N; CC(C)Oc1ccccc1
    C(=O)N; CC(C)Oc1ccccc1C(N)=O    		 2-[(propan-2-yl)oxy]benzamide
    10271 8BW 1 C13 H12 N2 O3 InChI=1S/C13H12N2O3/c16-1
    2-10-5-4-9(18-7-8-2-1-3-8
    )6-11(10)13(17)15-14-12/h
    4-6,8H,1-3,7H2;
    NWOORGOMYQAWAE-UHFFFAOYSA-N    		 c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O; O=C1N=N
    C(=O)c2cc(OCC3CCC3)ccc12    		 6-(cyclobutylmethoxy)phthalazine-1,4-dione
    10272 8BX
    CHEMBL1824856
    ZINC000072181062    		 2 C21 H27 Cl F2 N4 O InChI=1S/C21H27ClF2N4O/c1
    -14-8-16(28-20(25)9-14)10
    -15-11-27-12-19(15)29-7-6
    -26-13-21(23,24)17-4-2-3-
    5-18(17)22/h2-5,8-9,15,19
    ,26-27H,6-7,10-13H2,1H3,(
    H2,25,28)/t15-,19+/m1/s1;
    JVSYUOBMDVYGPZ-BEFAXECRSA-N    		 Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3ccccc3Cl)
    (F)F; Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC
    C(F)(F)c3ccccc3Cl)c1; Clc1ccccc1C(F)(F)C
    NCCOC2C(CNC2)Cc3nc(N)cc(c3)C; Cc1cc(nc(c
    1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)
    (F)F; Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNCC(F)
    (F)c3ccccc3Cl)c1    		 6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
    10273 8BY
    CHEMBL4086222    		 2 C21 H18 N2 O2 InChI=1S/C21H18N2O2/c1-13
    (2)25-20-11-18-16(10-19(2
    0)21(23)24)4-3-5-17(18)15
    -8-6-14(12-22)7-9-15/h3-1
    1,13H,1-2H3,(H2,23,24);
    IDCYKLUUMJIGRR-UHFFFAOYSA-N    		 c32c(c1ccc(C#N)cc1)cccc2cc(c(c3)OC(C)C)C
    (=O)N; CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)c
    c1C(=O)N; CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#
    N)cc1C(N)=O    		 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
    10274 8BZ
    CHEMBL3348943
    ZINC000034893072    		 1 C22 H26 N4 O3 InChI=1S/C22H26N4O3/c1-14
    -5-4-6-19-20(14)17(7-10-2
    9-19)24-18-11-16(22(28)25
    (3)8-9-27)13-26-12-15(2)2
    3-21(18)26/h4-6,11-13,17,
    24,27H,7-10H2,1-3H3/t17-/
    m1/s1;
    YBHKBMJREUZHOV-QGZVFWFLSA-N    		 CN(CCO)C(=O)c1cn2cc(C)nc2c(N[C@@H]3CCOc4
    cccc(C)c34)c1; Cc1cccc2c1C(CCO2)Nc3cc(cn
    4c3nc(c4)C)C(=O)N(C)CCO; Cc1cccc2c1[C@@H
    ](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO;
    CN(CCO)C(=O)c1cn2cc(C)nc2c(N[CH]3CCOc4cc
    cc(C)c34)c1    		 N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
    10275 8C0 1 C36 H54 O4 InChI=1S/C36H54O4/c1-6-7-
    9-27(15-20-35(40-5)29-13-
    16-30(37)17-14-29)24(2)31
    -18-19-32-28(10-8-21-36(3
    1,32)4)12-11-26-22-33(38)
    25(3)34(39)23-26/h11-14,1
    6-17,24,27,31-35,37-39H,3
    ,6-10,15,18-23H2,1-2,4-5H
    3/b28-12+/t24-,27+,31-,32
    +,33-,34-,35+,36-/m1/s1;
    AJZMBYIVQYCFHK-WPVJRCGCSA-N    		 CCCCC(CCC(c1ccc(cc1)O)OC)C(C)C2CCC3C2(CC
    CC3=CC=C4CC(C(=C)C(C4)O)O)C; CCCC[CH](CC
    [CH](OC)c1ccc(O)cc1)[CH](C)[CH]2CC[CH]3C
    (CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4;
    CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@
    H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C
    4C[C@H](C(=C)[C@@H](C4)O)O)C; CCCC[C@@H]
    (CC[C@H](OC)c1ccc(O)cc1)[C@@H](C)[C@H]2C
    C[C@H]3C(/CCC[C@]23C)=C/C=C/4C[C@@H](O)C
    (=C)[C@H](O)C/4    		 (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol;
    22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3
    10276 8C1
    CHEMBL4061493    		 4 C18 H23 N3 O3 InChI=1S/C18H23N3O3/c1-11
    (2)23-17-9-13-15(8-14(17)
    18(19)22)21-7-5-16(13)24-
    12-4-3-6-20-10-12/h5,7-9,
    11-12,20H,3-4,6,10H2,1-2H
    3,(H2,19,22)/t12-/m1/s1;
    WFDCRJQKOODGGI-GFCCVEGCSA-N    		 CC(C)Oc1cc2c(O[CH]3CCCNC3)ccnc2cc1C(N)=O
    ; CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(
    N)=O; CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H
    ]3CCCNC3; CC(C)Oc1cc2c(ccnc2cc1C(=O)N)OC
    3CCCNC3; c21cc(OC(C)C)c(cc1nccc2OC3CCCNC
    3)C(N)=O    		 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
    10277 8C2
    ZINC000036864465    		 2 C12 H21 N3 InChI=1S/C12H21N3/c1-9-12
    (10(2)15-14-9)8-13-11-6-4
    -3-5-7-11/h11,13H,3-8H2,1
    -2H3,(H,14,15);
    CUPRVIDJDATUMO-UHFFFAOYSA-N    		 Cc1c(c(n[nH]1)C)CNC2CCCCC2; Cc1n[NH]c(C)
    c1CNC1CCCCC1; Cc1[nH]nc(C)c1CNC2CCCCC2    		 N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine
    10278 8C3
    CHEMBL2141272
    ZINC000005108717    		 1 C18 H25 N5 O2 S InChI=1S/C18H25N5O2S/c1-4
    -21(5-2)9-6-8-19-17(24)12
    -22-18(25)15-11-16-14(7-1
    0-26-16)23(15)13(3)20-22/
    h7,10-11H,4-6,8-9,12H2,1-
    3H3,(H,19,24);
    DRDIHUMOFDGYRJ-UHFFFAOYSA-N    		 CCN(CC)CCCNC(=O)CN1N=C(C)n2c3ccsc3cc2C1=
    O; CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N
    1)C)ccs3    		 N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
    10279 8C5
    CHEMBL490080
    ZINC000039136227    		 1 C27 H34 N6 O3 InChI=1S/C27H34N6O3/c1-36
    -31-26(35)23-18-33(21-7-3
    -2-4-8-21)25-22(24(23)34)
    17-28-27(30-25)29-20-11-9
    -19(10-12-20)13-16-32-14-
    5-6-15-32/h9-12,17-18,21H
    ,2-8,13-16H2,1H3,(H,31,35
    )(H,28,29,30);
    LYINTIKJROJCGF-UHFFFAOYSA-N    		 O=C(NOC)C2=CN(c1nc(ncc1C2=O)Nc3ccc(cc3)C
    CN4CCCC4)C5CCCCC5; CONC(=O)C1=CN(C2CCCCC
    2)c3nc(Nc4ccc(CCN5CCCC5)cc4)ncc3C1=O; CO
    NC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CC
    CC4)C1=O)C5CCCCC5    		 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
    10280 8C6 2 C11 H16 Cl N5 O9 P2 InChI=1S/C11H16ClN5O9P2/c
    12-11(27(20,21)22)28(23,2
    4)25-1-4-6(18)7(19)10(26-
    4)17-3-16-5-8(13)14-2-15-
    9(5)17/h2-4,6-7,10-11,18-
    19H,1H2,(H,23,24)(H2,13,1
    4,15)(H2,20,21,22)/t4-,6-
    ,7-,10-,11-/m1/s1;
    OGUHYAYICMXXAF-IFWOQMCBSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(C(P
    (=O)(O)O)Cl)O)O)O)N; Nc1ncnc2n(cnc12)[C@
    @H]3O[C@H](CO[P](O)(=O)[C@H](Cl)[P](O)(O
    )=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)
    [C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@
    @H](P(=O)(O)O)Cl)O)O)O)N; Nc1ncnc2n(cnc1
    2)[CH]3O[CH](CO[P](O)(=O)[CH](Cl)[P](O)(
    O)=O)[CH](O)[CH]3O    		 [(R)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid
    10281 8C7
    CHEMBL5178227
    ZINC000007509984    		 1 C14 H19 N O2 InChI=1S/C14H19NO2/c15-14
    (16)12-6-8-13(9-7-12)17-1
    0-11-4-2-1-3-5-11/h6-9,11
    H,1-5,10H2,(H2,15,16);
    MJTCIHDRDLBAGL-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)OCC2CCCCC2; NC(=O)c1ccc(
    OCC2CCCCC2)cc1    		 4-(cyclohexylmethoxy)benzamide
    10282 8C9
    CHEMBL4084720    		 1 C35 H50 O4 InChI=1S/C35H50O4/c1-5-6-
    8-26(14-19-32(37)28-12-15
    -29(36)16-13-28)23(2)30-1
    7-18-31-27(9-7-20-35(30,3
    1)4)11-10-25-21-33(38)24(
    3)34(39)22-25/h10-13,15-1
    6,23,26,30-31,33-34,36,38
    -39H,3,5-9,14,17-22H2,1-2
    ,4H3/b27-11+/t23-,26+,30-
    ,31+,33-,34-,35-/m1/s1;
    IDKWEPILMVJEEL-HXCBKPQPSA-N    		 CCCC[C@@H](CCC(=O)c1ccc(O)cc1)[C@@H](C)[
    C@H]2CC[C@H]3C(/CCC[C@]23C)=C/C=C4\C[C@@
    H](O)C(=C)[C@H](O)C4; CCCC[C@@H](CCC(=O)
    c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@
    @]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O
    )O)C; CCCCC(CCC(=O)c1ccc(cc1)O)C(C)C2CCC
    3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C; CCCC[
    CH](CCC(=O)c1ccc(O)cc1)[CH](C)[CH]2CC[CH
    ]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)
    C4    		 (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one;
    22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
    10283 8CA
    CHEMBL452596
    DB07283
    ZINC000039795248    		 1 C20 H19 N O2 InChI=1S/C20H19NO2/c22-20
    (23)17-11-6-10-16-15-9-4-
    5-12-18(15)21(19(16)17)13
    -14-7-2-1-3-8-14/h1-3,6-8
    ,10-11H,4-5,9,12-13H2,(H,
    22,23);
    VDOXYKGIKBUISK-UHFFFAOYSA-N    		 O=C(O)c4c1c(c3c(n1Cc2ccccc2)CCCC3)ccc4;
    c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3
    ; OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4)c12    		 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
    10284 8CB
    ZINC000013382979    		 3 C17 H22 O2 InChI=1S/C17H22O2/c1-10(2
    )13-6-5-11(3)7-14(13)17-1
    5(18)8-12(4)9-16(17)19/h7
    -9,13-14,18-19H,1,5-6H2,2
    -4H3/t13-,14+/m0/s1;
    GKVOVXWEBSQJPA-UONOGXRCSA-N    		 Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C;
    Cc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O; CC(
    =C)[CH]1CCC(=C[CH]1c2c(O)cc(C)cc2O)C; CC
    (=C)[C@@H]1CCC(=C[C@H]1c2c(O)cc(C)cc2O)C
    ; Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C
    )C)C)O    		 (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol;
    cannabidiorcin;
    CBDO
    10285 8CC
    CHEMBL4104570    		 1 C11 H11 N3 O InChI=1S/C11H11N3O/c1-12-
    11(15)10-6-9(7-14-10)8-2-
    4-13-5-3-8/h2-7,14H,1H3,(
    H,12,15);
    CUQAMHMOOUOTLK-UHFFFAOYSA-N    		 CNC(=O)c1[nH]cc(c1)c2ccncc2; CNC(=O)c1cc
    (c[nH]1)c2ccncc2    		 N-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide
    10286 8CD
    CHEMBL4092338    		 2 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-10
    (2)25-15-8-13-11(7-14(15)
    17(19)23)5-6-20-18(13)24-
    9-12-3-4-16(22)21-12/h5-8
    ,10,12H,3-4,9H2,1-2H3,(H2
    ,19,23)(H,21,22)/t12-/m0/
    s1;
    YLJNGHKLWZPDSX-LBPRGKRZSA-N    		 NC(c3c(cc1c(ccnc1OCC2NC(CC2)=O)c3)OC(C)C
    )=O; CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N
    3)cc1C(=O)N; CC(C)Oc1cc2c(OC[CH]3CCC(=O)
    N3)nccc2cc1C(N)=O; CC(C)Oc1cc2c(OC[C@@H]
    3CCC(=O)N3)nccc2cc1C(N)=O; CC(C)Oc1cc2c(
    ccnc2OCC3CCC(=O)N3)cc1C(=O)N    		 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide
    10287 8CE
    CHEMBL2105502
    DB17856    		 1 C21 H25 N3 O3 InChI=1S/C21H25N3O3/c1-13
    -14(2)24-10-9-16-18(21(24
    )22-13)23-17(15-7-5-4-6-8
    -15)19(25)20(16)27-12-11-
    26-3/h4-10,17,19-20,23,25
    H,11-12H2,1-3H3/t17-,19-,
    20-/m1/s1;
    PWILYDZRJORZDR-MISYRCLQSA-N    		 Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3O
    CCOC)O)c4ccccc4)C; COCCO[CH]1[CH](O)[CH]
    (Nc2c1ccn3c(C)c(C)nc23)c4ccccc4; COCCO[C
    @H]1[C@H](O)[C@H](Nc2c1ccn3c(C)c(C)nc23)
    c4ccccc4; Cc1c(n2ccc3c(c2n1)NC(C(C3OCCOC
    )O)c4ccccc4)C    		 Soraprazan
    10288 8CF
    CHEMBL3342582
    ZINC000299837985    		 1 C19 H17 Cl N2 O5 InChI=1S/C19H17ClN2O5/c1-
    3-16(25)21-19-17(10-4-6-1
    1(26-2)7-5-10)18(22-27-19
    )12-8-13(20)15(24)9-14(12
    )23/h4-9,23-24H,3H2,1-2H3
    ,(H,21,25);
    TWSMBEWMAUAXGL-UHFFFAOYSA-N    		 CCC(=O)Nc1onc(c2cc(Cl)c(O)cc2O)c1c3ccc(O
    C)cc3; CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)C
    l)c3ccc(cc3)OC    		 N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
    10289 8CG
    CHEMBL4081711
    DB15143
    ZINC000526061587    		 3 C18 H20 F N3 O4 InChI=1S/C18H20FN3O4/c1-3
    -10-13(22-17(24)15(10)19)
    8-26-18-11-7-14(25-2)12(1
    6(20)23)6-9(11)4-5-21-18/
    h4-7,10,13,15H,3,8H2,1-2H
    3,(H2,20,23)(H,22,24)/t10
    -,13+,15-/m0/s1;
    JKDGKIBAOAFRPJ-ZBINZKHDSA-N    		 CC[CH]1[CH](COc2nccc3cc(C(N)=O)c(OC)cc23
    )NC(=O)[CH]1F; CC[C@H]1[C@@H](COc2nccc3c
    c(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F; NC(c3c
    c1c(c(ncc1)OCC2C(C(C(N2)=O)F)CC)cc3OC)=O
    ; CCC1C(NC(=O)C1F)COc2c3cc(c(cc3ccn2)C(=
    O)N)OC; CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2
    c3cc(c(cc3ccn2)C(=O)N)OC    		 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
    10290 8CH 1 C9 H17 N O4 S InChI=1S/C9H17NO4S/c1-7-5
    -4-6-10(15(3,12)13)8(7)9(
    11)14-2/h7-8H,4-6H2,1-3H3
    /t7-,8+/m1/s1;
    HLMYNIFJGFTOOM-SFYZADRCSA-N    		 CC1CCCN(C1C(=O)OC)S(=O)(=O)C; C[C@@H]1CC
    CN([C@@H]1C(=O)OC)S(=O)(=O)C; COC(=O)[C@
    @H]1[C@H](C)CCCN1[S](C)(=O)=O; CC1CCCN(C
    1C(=O)OC)S(=O)(C)=O; COC(=O)[CH]1[CH](C)
    CCCN1[S](C)(=O)=O    		 methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate
    10291 8CI
    CHEMBL5206305    		 1 C13 H17 N O2 InChI=1S/C13H17NO2/c14-13
    (15)11-5-7-12(8-6-11)16-9
    -10-3-1-2-4-10/h5-8,10H,1
    -4,9H2,(H2,14,15);
    ONNDELCPTPJKGL-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)OCC2CCCC2; NC(=O)c1ccc(O
    CC2CCCC2)cc1    		 4-(cyclopentylmethoxy)benzamide
    10292 8CK
    ZINC000003633835    		 1 C22 H23 F N4 InChI=1S/C22H23FN4/c1-14-
    15(2)24-22(25-19-10-8-18(
    23)9-11-19)26-21(14)27-13
    -12-17-6-4-5-7-20(17)16(2
    7)3/h4-11,16H,12-13H2,1-3
    H3,(H,24,25,26)/t16-/m1/s
    1;
    LECZXZOBEZITCL-MRXNPFEDSA-N    		 Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc
    4)F)C; C[CH]1N(CCc2ccccc12)c3nc(Nc4ccc(F
    )cc4)nc(C)c3C; C[C@H]1N(CCc2ccccc12)c3nc
    (Nc4ccc(F)cc4)nc(C)c3C; Cc1c(nc(nc1N2CCc
    3ccccc3C2C)Nc4ccc(cc4)F)C    		 N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine;
    R-revaprazan
    10293 8CL
    CHEMBL16200
    ZINC000000896527    		 2 C6 H5 Cl InChI=1S/C6H5Cl/c7-6-4-2-
    1-3-5-6/h1-5H;
    MVPPADPHJFYWMZ-UHFFFAOYSA-N    		 Clc1ccccc1; c1ccc(cc1)Cl chlorobenzene
    10294 8CM
    CHEMBL389988    		 4 C9 H6 O3 InChI=1S/C9H6O3/c10-7-3-1
    -2-6-4-5-8(11)12-9(6)7/h1
    -5,10H;
    DPTUTXWBBUARQB-UHFFFAOYSA-N    		 c1cc2c(c(c1)O)OC(=O)C=C2; Oc1cccc2C=CC(=
    O)Oc12; O=C2Oc1c(O)cccc1C=C2    		 8-HYDROXYCOUMARIN;
    8-HYDROXY-2H-CHROMENE-2-ONE
    10295 8CN
    ZINC000019436291    		 1 C9 H18 N2 O InChI=1S/C9H18N2O/c1-7-5-
    3-4-6-11(7)9(12)8(2)10/h7
    -8H,3-6,10H2,1-2H3/t7-,8+
    /m0/s1;
    FZZIMRQDJKXDFD-JGVFFNPUSA-N    		 C[CH](N)C(=O)N1CCCC[CH]1C; CC1CCCCN1C(=O
    )C(C)N; C[C@@H](N)C(=O)N1CCCC[C@@H]1C; C
    [C@H]1CCCCN1C(=O)[C@@H](C)N    		 (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
    10296 8CO
    CHEMBL3342584
    ZINC000299837344    		 1 C20 H19 Cl N2 O5 InChI=1S/C20H19ClN2O5/c1-
    10(2)19(26)22-20-17(11-4-
    6-12(27-3)7-5-11)18(23-28
    -20)13-8-14(21)16(25)9-15
    (13)24/h4-10,24-25H,1-3H3
    ,(H,22,26);
    QKMQJLLMNRRTJB-UHFFFAOYSA-N    		 CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3
    ccc(cc3)OC; COc1ccc(cc1)c2c(NC(=O)C(C)C)
    onc2c3cc(Cl)c(O)cc3O    		 N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide
    10297 8CP 2 C9 H17 N4 O12 P3 InChI=1S/C9H17N4O12P3/c10
    -7-1-2-13(9(15)11-7)8-3-5
    (14)6(24-8)4-23-28(21,22)
    25-27(19,20)12-26(16,17)1
    8/h1-2,5-6,8,14H,3-4H2,(H
    ,21,22)(H2,10,11,15)(H4,1
    2,16,17,18,19,20)/t5-,6+,
    8+/m0/s1;
    ICHPBSCTWPZUQK-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(NP(=O)(O)O)O)O; C1[C@@H]([C@H](O[C@H]1
    N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(
    O)O)O)O; NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[
    CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)
    O2; NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@
    H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O
    2; N1(C=CC(=NC1=O)N)C2OC(C(C2)O)COP(=O)(
    O)OP(O)(NP(=O)(O)O)=O    		 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine
    10298 8CQ 1 C26 H17 N O8 InChI=1S/C26H17NO8/c28-19
    -9-7-16(11-18(19)25(32)33
    )27-21(14-6-8-17-15(10-14
    )12-35-26(17)34)20(23(30)
    24(27)31)22(29)13-4-2-1-3
    -5-13/h1-11,21,28,30H,12H
    2,(H,32,33)/t21-/m1/s1;
    KRAIUTVUTRGUAY-OAQYLSRUSA-N    		 c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc4c(c3)
    COC4=O)c5ccc(c(c5)C(=O)O)O)O; OC(=O)c1cc
    (ccc1O)N2[C@H](c3ccc4C(=O)OCc4c3)C(=C(O)
    C2=O)C(=O)c5ccccc5; c1ccc(cc1)C(=O)C2=C(
    C(=O)N([C@@H]2c3ccc4c(c3)COC4=O)c5ccc(c(
    c5)C(=O)O)O)O; OC(=O)c1cc(ccc1O)N2[CH](c
    3ccc4C(=O)OCc4c3)C(=C(O)C2=O)C(=O)c5cccc
    c5    		 2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid
    10299 8CR
    CHEMBL3342585
    ZINC000299831525    		 1 C21 H21 Cl N2 O5 InChI=1S/C21H21ClN2O5/c1-
    21(2,3)20(27)23-19-17(11-
    5-7-12(28-4)8-6-11)18(24-
    29-19)13-9-14(22)16(26)10
    -15(13)25/h5-10,25-26H,1-
    4H3,(H,23,27);
    DXGLAMIYOFRRGF-UHFFFAOYSA-N    		 CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl
    )c3ccc(cc3)OC; COc1ccc(cc1)c2c(NC(=O)C(C
    )(C)C)onc2c3cc(Cl)c(O)cc3O    		 N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide
    10300 8CS
    ZINC000058631721    		 15 C10 H12 N5 O7 P InChI=1S/C10H12N5O7P/c11-
    10-14-7-4(8(17)15-10)12-3
    -5(16)6-2(21-9(3)13-7)1-2
    0-23(18,19)22-6/h2-3,6,9,
    12H,1H2,(H,18,19)(H4,11,1
    3,14,15,17)/t2-,3+,6+,9-/
    m1/s1;
    PWFXLXMPGSLEOZ-RNCCKPSGSA-N    		 NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](O)(=
    O)O[CH]4C3=O)C(=O)N1; O=C2C4OP(=O)(O)OCC
    4OC3NC=1N=C(N)NC(=O)C=1NC23; C1C2C(C(=O)
    C3C(O2)NC4=C(N3)C(=O)NC(=N4)N)OP(=O)(O1)
    O; C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)
    NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O;
    NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@@H]4CO[P@
    ](O)(=O)O[C@@H]4C3=O)C(=O)N1    		 (2R,4AR,5AR,11AR,12AS)-8-AMINO-2-HYDROXY-4A,5A,9,11,11A,12A-HEXAHYDRO[1,3,2]DIOXAPHOSPHININO[4',5':5,6]PYRANO[3,2-G]PTERIDINE-10,12(4H,6H)-DIONE 2-OXIDE
    10301 8CT 228 C40 H56 InChI=1S/C40H56/c1-31(19-
    13-21-33(3)25-27-37-35(5)
    23-15-29-39(37,7)8)17-11-
    12-18-32(2)20-14-22-34(4)
    26-28-38-36(6)24-16-30-40
    (38,9)10/h11-14,17-23,25-
    28,37H,15-16,24,29-30H2,1
    -10H3/b12-11-,19-13-,20-1
    4-,27-25+,28-26+,31-17+,3
    2-18-,33-21+,34-22+/t37-/
    m0/s1;
    ANVAOWXLWRTKGA-GZSHKXEASA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C
    )C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C; CC(=C
    C=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=
    CC=C(C)C=C[CH]2C(=CCCC2(C)C)C; CC1=C(C(C
    CC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\
    C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)
    /C; CC=1CCCC(C=1[C@H]=[C@H]C(=[C@H][C@H]
    =[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@
    H]=[C@H][C@H]=C(C)[C@H]=[C@H]C2C(C)=CCCC
    2(C)C)C)(C)C; CC(=C/C=C\C=C(C)/C=C\C=C(C
    )\C=C\C1=C(C)CCCC1(C)C)\C=C/C=C(C)/C=C/[
    C@H]2C(=CCCC2(C)C)C    		 (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
    10302 8CU
    CHEMBL3342593
    ZINC000299835776    		 1 C18 H15 Br N2 O5 InChI=1S/C18H15BrN2O5/c1-
    9(22)20-18-16(10-3-5-11(2
    5-2)6-4-10)17(21-26-18)12
    -7-13(19)15(24)8-14(12)23
    /h3-8,23-24H,1-2H3,(H,20,
    22);
    LPNPUVWHHAMBGR-UHFFFAOYSA-N    		 CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(
    cc3)OC; COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc
    (Br)c(O)cc3O    		 N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide
    10303 8CV
    CHEMBL170988
    DB00914
    ZINC000005851063    		 1 C10 H15 N5 InChI=1S/C10H15N5/c11-9(1
    2)15-10(13)14-7-6-8-4-2-1
    -3-5-8/h1-5H,6-7H2,(H6,11
    ,12,13,14,15);
    ICFJFFQQTFMIBG-UHFFFAOYSA-N    		 [H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1; c1(
    CCN\C(=N)N/C(N)=N)ccccc1; c1ccc(cc1)CCNC
    (=N)NC(=N)N; NC(=N)NC(=N)NCCc1ccccc1    		 N-(2-phenylethyl)imidodicarbonimidic diamide
    10304 8CW 4 C37 H49 Cl N7 O14 P InChI=1S/C37H49ClN7O14P/c
    1-18-7-6-8-25(54-4)24(47)
    13-26(20(3)10-19(2)23(46)
    14-29(48)44-22-11-21(9-18
    )12-27(55-5)30(22)38)58-3
    7(40,51)59-60(52,53)56-15
    -28-32(49)33(50)36(57-28)
    45-17-43-31-34(39)41-16-4
    2-35(31)45/h6-8,10-12,16-
    17,20,23,25-26,28,32-33,3
    6,46,49-51H,9,13-15,40H2,
    1-5H3,(H,44,48)(H,52,53)(
    H2,39,41,42)/b8-6+,18-7+,
    19-10+/t20-,23-,25+,26-,2
    8+,32+,33+,36+,37-/m0/s1;
    QLSIIXOKLGYKPW-VYDMNOPCSA-N    		 C[C@H]1/C=C(/[C@H](CC(=O)Nc2cc(cc(c2Cl)O
    C)C/C(=C/C=C/[C@H](C(=O)C[C@@H]1O[C@](N)
    (O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](
    O3)n4cnc5c4ncnc5N)O)O)OC)/C)O)\C; CC1C=C
    (C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O
    )CC1OC(N)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5
    c4ncnc5N)O)O)OC)C)O)C; CO[C@@H]1/C=C/C=C
    (\C)Cc2cc(NC(=O)C[C@H](O)C(=C/[C@H](C)[C
    @H](CC1=O)O[C@](N)(O)O[P](O)(=O)OC[C@H]3
    O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45
    )/C)c(Cl)c(OC)c2; CO[CH]1C=CC=C(C)Cc2cc(
    NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)O[C]
    (N)(O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH
    ]3O)n4cnc5c(N)ncnc45)C)c(Cl)c(OC)c2    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate
    10305 8CX
    ZINC000049054895    		 4 C21 H28 F2 N4 O InChI=1S/C21H28F2N4O/c1-1
    4-7-18(27-21(24)8-14)10-1
    6-11-26-13-20(16)28-6-5-2
    5-12-19(23)15-3-2-4-17(22
    )9-15/h2-4,7-9,16,19-20,2
    5-26H,5-6,10-13H2,1H3,(H2
    ,24,27)/t16-,19+,20+/m1/s
    1;
    NOLWAWWUERSXHH-UXPWSPDFSA-N    		 Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)F
    )F; Cc1cc(N)nc(C[CH]2CNC[CH]2OCCNC[CH](F
    )c3cccc(F)c3)c1; Cc1cc(nc(c1)N)C[C@@H]2C
    NC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F; Cc1c
    c(N)nc(C[C@@H]2CNC[C@@H]2OCCNC[C@H](F)c3
    cccc(F)c3)c1; Fc1cccc(c1)C(F)CNCCOC2C(CN
    C2)Cc3nc(N)cc(c3)C    		 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
    10306 8CY 2 C22 H15 N2 O6 Ru S InChI=1S/C17H19N2O6S.C5H5
    .Ru/c1-9-8-26-15(19-13(9)
    16(22)23)14(17(24)25)18-1
    2(21)7-6-11(20)10-4-2-3-5
    -10;1-2-4-5-3-1;/h2-5,14-
    15,19H,6-8H2,1H3,(H,18,21
    )(H,22,23)(H,24,25);1-5H;
    /t14-,15+;;/m0../s1;
    RODYUOCEXNRXSR-FZMMWMHASA-N    		 CC1=C(NC(SC1)C(C(=O)O)NC(=O)CCC(=O)C23[C
    ]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8
    [C]9[C]12)C(=O)O; CC1=C(N[C@H](SC1)[C@@H
    ](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891
    ([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=
    O)O; CC1=C(N[CH](SC1)[CH](NC(=O)CCC(=O)C
    2([Ru])CCCC2)C(O)=O)C(O)=O.C3CCCC3; C%12
    SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6
    432789(C1C5C4C3C12)C%10%11)=O)NC(=C%12C)
    C(=O)O; CC1=C(N[C@H](SC1)[C@H](NC(=O)CCC
    (=O)C2([Ru])CCCC2)C(O)=O)C(O)=O.C3CCCC3    		 ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form
    10307 8CZ
    ZINC000058283492    		 1 C11 H16 N2 O S InChI=1S/C11H16N2OS/c1-7-
    10(15-6-12-7)11(14)13(3)8
    (2)9-4-5-9/h6,8-9H,4-5H2,
    1-3H3/t8-/m0/s1;
    BVKVTOXEFCBBBM-QMMMGPOBSA-N    		 C[C@@H](C1CC1)N(C)C(=O)c2scnc2C; C[CH](C
    1CC1)N(C)C(=O)c2scnc2C; O=C(N(C)C(C)C1CC
    1)c1scnc1C; Cc1c(scn1)C(=O)N(C)C(C)C2CC2
    ; Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2    		 N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
    10308 8D0
    CHEMBL5085420    		 3 C26 H39 N O3 S InChI=1S/C26H39NO3S/c1-25
    (2,11-7-5-6-8-12-27-17-31
    )19-14-22(29)24-20-13-18(
    16-28)9-10-21(20)26(3,4)3
    0-23(24)15-19/h14-15,18,2
    0-21,28-29H,5-13,16H2,1-4
    H3/t18-,20-,21-/m1/s1;
    JCIYJYHFBBXSBF-HMXCVIKNSA-N    		 CC1(C2CCC(CC2c3c(cc(cc3O1)C(C)(C)CCCCCCN
    =C=S)O)CO)C; CC1([C@@H]2CC[C@H](C[C@H]2c
    3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C; C
    C(C)(CCCCCCN=C=S)c1cc(O)c2[CH]3C[CH](CO)
    CC[CH]3C(C)(C)Oc2c1; CC(C)(CCCCCCN=C=S)c
    1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)
    Oc2c1    		 (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
    10309 8D1
    ZINC000584905451    		 1 C18 H20 N6 O InChI=1S/C18H20N6O/c1-12-
    6-5-8-14(10-12)24-22-16(1
    8(20)23-24)17(19)21-11-13
    -7-3-4-9-15(13)25-2/h3-10
    H,11H2,1-2H3,(H2,19,21)(H
    2,20,23);
    UJHUYWLZLDBDSR-UHFFFAOYSA-N    		 COc1ccccc1CNC(=N)c2nn(nc2N)c3cccc(C)c3;
    Cc1cccc(c1)n2nc(c(n2)N)C(=N)NCc3ccccc3OC
    ; [H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3
    ccccc3OC; C(\NCc1c(OC)cccc1)(c3c(nn(c2cc
    cc(C)c2)n3)N)=N    		 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide
    10310 8D2 1 C15 H9 F N2 O3 InChI=1S/C15H9FN2O3/c16-1
    3-4-2-1-3-9(13)8-21-10-5-
    6-11-12(7-10)15(20)18-17-
    14(11)19/h1-7H,8H2;
    ZHASGVHVJZWXHL-UHFFFAOYSA-N    		 c1ccc(c(c1)COc2ccc3c(c2)C(=O)N=NC3=O)F;
    Fc1ccccc1COc2ccc3C(=O)N=NC(=O)c3c2    		 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione
    10311 8D3
    CHEMBL1683648
    ZINC000066098549    		 1 C25 H37 Br O2 InChI=1S/C25H37BrO2/c1-17
    -10-11-20-19(14-17)23-21(
    27)15-18(16-22(23)28-25(2
    0,4)5)24(2,3)12-8-6-7-9-1
    3-26/h10,15-16,19-20,27H,
    6-9,11-14H2,1-5H3/t19-,20
    -/m1/s1;
    SZDVFUZKFPGYEK-WOJBJXKFSA-N    		 CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C
    )C(C)(C)CCCCCCBr)O; CC1=CCC2C(C1)c3c(cc(
    cc3OC2(C)C)C(C)(C)CCCCCCBr)O; CC1=CC[CH]
    2[CH](C1)c3c(O)cc(cc3OC2(C)C)C(C)(C)CCCC
    CCBr; CC1=CC[C@@H]2[C@@H](C1)c3c(O)cc(cc
    3OC2(C)C)C(C)(C)CCCCCCBr    		 (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
    10312 8D4
    CHEMBL1303854
    ZINC000004384478    		 4 C9 H7 N3 O2 InChI=1S/C9H7N3O2/c13-9(1
    4)8-7(10-12-11-8)6-4-2-1-
    3-5-6/h1-5H,(H,13,14)(H,1
    0,11,12);
    KZVFXYXQNAYXFT-UHFFFAOYSA-N    		 OC(=O)c1nn[nH]c1c2ccccc2; c1ccc(cc1)c2c(
    nn[nH]2)C(=O)O; OC(=O)c2c(c1ccccc1)nnn2    		 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
    10313 8D6
    CHEMBL4072496    		 1 C10 H8 Cl N3 O InChI=1S/C10H8ClN3O/c11-8
    -7(5-14-9(8)10(12)15)6-1-
    3-13-4-2-6/h1-5,14H,(H2,1
    2,15);
    PGLBZRZEQTVNDN-UHFFFAOYSA-N    		 NC(=O)c1[nH]cc(c1Cl)c2ccncc2; c1cnccc1c2
    c[nH]c(c2Cl)C(=O)N    		 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide
    10314 8D7 2 C17 H29 N O2 InChI=1S/C17H29NO2/c1-3-6
    -14(7-4-2)13-20-16-9-5-8-
    15(12-16)17(19)10-11-18/h
    5,8-9,12,14,17,19H,3-4,6-
    7,10-11,13,18H2,1-2H3/t17
    -/m1/s1;
    LNRJYZXFMPBCCV-QGZVFWFLSA-N    		 CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O; CCCC(
    CCC)COc1cccc(c1)[C@H](O)CCN; c1c(cccc1C(
    O)CCN)OCC(CCC)CCC; CCCC(CCC)COc1cccc(c1)
    C(CCN)O; CCCC(CCC)COc1cccc(c1)[CH](O)CCN    		 (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
    10315 8D8 1 C11 H14 N2 O2 InChI=1S/C11H14N2O2/c1-7(
    8-4-5-8)13-11(15)9-3-2-6-
    12-10(9)14/h2-3,6-9H,4-5H
    2,1H3,(H,13,15)/t7-,9?/m1
    /s1;
    PGQRHRREOJGSGD-YOXFSPIKSA-N    		 CC(C1CC1)NC(=O)C2C=CC=NC2=O; C[C@H](C1CC
    1)NC(=O)C2C=CC=NC2=O; C[CH](NC(=O)[CH]1C
    =CC=NC1=O)C2CC2; O=C(NC(C)C1CC1)C1C=CC=N
    C1=O; C[C@@H](NC(=O)[C@@H]1C=CC=NC1=O)C2
    CC2    		 (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide
    10316 8DA
    ZINC000103530118    		 2 C10 H15 N5 O4 InChI=1S/C10H15N5O4/c11-8
    -7-9(13-3-12-8)15(10(18)1
    4-7)6-1-4(17)5(2-16)19-6/
    h4-6,12,16-17H,1-3,11H2,(
    H,14,18)/t4-,5+,6+/m1/s1;
    KTCVXRUKSBTHOG-SRQIZXRXSA-N    		 NC1=C2NC(=O)N([C@@H]3C[C@@H](O)[C@H](CO)
    O3)C2=NCN1; C1C(C(OC1N2C3=NCNC(=C3NC2=O)
    N)CO)O; C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC
    (=C3NC2=O)N)CO)O; NC1=C2NC(=O)N([CH]3C[C
    H](O)[CH](CO)O3)C2=NCN1; O=C2NC1=C(N)NCN
    =C1N2C3OC(C(O)C3)CO    		 8-OXODEOXYADENOSINE
    10317 8DB 1 C13 H8 N2 O3 S InChI=1S/C13H8N2O3S/c16-1
    2-10-4-3-8(6-11(10)13(17)
    15-14-12)18-7-9-2-1-5-19-
    9/h1-6H,7H2;
    YWHUYRIBEINGLH-UHFFFAOYSA-N    		 c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O; O=C1
    N=NC(=O)c2cc(OCc3sccc3)ccc12    		 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione
    10318 8DD
    ZINC000058631723    		 4 C10 H15 N5 O10 P2 InChI=1S/C10H15N5O10P2/c1
    1-8-7-9(13-3-12-8)15(10(1
    7)14-7)6-1-4(16)5(24-6)2-
    23-27(21,22)25-26(18,19)2
    0/h3-6,16H,1-2H2,(H,14,17
    )(H,21,22)(H2,11,12,13)(H
    2,18,19,20)/t4-,5+,6+/m0/
    s1;
    FEPFWQCDWZFLGY-KVQBGUIXSA-N    		 Nc1ncnc2N([C@H]3C[C@H](O)[C@@H](CO[P](O)
    (=O)O[P](O)(O)=O)O3)C(=O)Nc12; c1nc(c2c(
    n1)N(C(=O)N2)C3CC(C(O3)COP(=O)(O)OP(=O)(
    O)O)O)N; c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C
    @@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)
    N; Nc1ncnc2N([CH]3C[CH](O)[CH](CO[P](O)(
    =O)O[P](O)(O)=O)O3)C(=O)Nc12    		 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate
    10319 8DE
    CHEMBL3617053
    ZINC000000652090    		 1 C23 H19 N3 O3 S2 InChI=1S/C23H19N3O3S2/c27
    -22(21(17-7-3-1-4-8-17)18
    -9-5-2-6-10-18)25-19-11-1
    3-20(14-12-19)31(28,29)26
    -23-24-15-16-30-23/h1-16,
    21H,(H,24,26)(H,25,27);
    URSQNPPONHUJDL-UHFFFAOYSA-N    		 c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=
    O)(=O)Nc4nccs4; O=C(Nc1ccc(cc1)[S](=O)(=
    O)Nc2sccn2)C(c3ccccc3)c4ccccc4    		 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
    10320 8DG
    ZINC000040165388    		 67 C10 H16 N5 O14 P3 InChI=1S/C10H16N5O14P3/c1
    1-9-13-7-6(8(17)14-9)12-1
    0(18)15(7)5-1-3(16)4(27-5
    )2-26-31(22,23)29-32(24,2
    5)28-30(19,20)21/h3-5,16H
    ,1-2H2,(H,12,18)(H,22,23)
    (H,24,25)(H2,19,20,21)(H3
    ,11,13,14,17)/t3-,4+,5+/m
    0/s1;
    BUZOGVVQWCXXDP-VPENINKCSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3
    )N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=
    O)(O)O)O; NC1=NC2=C(NC(=O)N2[CH]3C[CH](O
    )[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=
    O)O3)C(=O)N1; O=P(O)(O)OP(=O)(O)OP(=O)(O
    )OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O; C
    1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=
    O)(O)OP(=O)(O)OP(=O)(O)O)O; NC1=NC2=C(NC
    (=O)N2[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O
    )O[P@](O)(=O)O[P](O)(O)=O)O3)C(=O)N1    		 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
    10321 8DH
    ZINC000065427674    		 2 C8 H17 N3 O3 S InChI=1S/C8H17N3O3S/c1-7(
    2)10(3)15(13,14)11-5-4-9-
    8(12)6-11/h7H,4-6H2,1-3H3
    ,(H,9,12);
    VTMVBMKVPGBHRQ-UHFFFAOYSA-N    		 CC(C)N(C)[S](=O)(=O)N1CCNC(=O)C1; CC(C)N
    (C)S(=O)(=O)N1CCNC(=O)C1; O=C1CN(CCN1)S(
    =O)(=O)N(C)C(C)C    		 N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide
    10322 8DI 1 C17 H16 F N3 O2 S InChI=1S/C17H16FN3O2S/c18
    -13-6-1-2-7-16(13)24(22,2
    3)21-12-8-9-14-15(10-12)2
    0-17(19-14)11-4-3-5-11/h1
    -2,6-11,21H,3-5H2,(H,19,2
    0);
    RNCGESUAFOAOBJ-UHFFFAOYSA-N    		 c1ccc(c(c1)F)S(=O)(=O)Nc2ccc3c(c2)nc([nH
    ]3)C4CCC4; Fc1ccccc1[S](=O)(=O)Nc2ccc3[n
    H]c(nc3c2)C4CCC4    		 N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide;
    N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide
    10323 8DJ
    CHEMBL4070885    		 1 C26 H26 F N3 O4 InChI=1S/C26H26FN3O4/c27-
    23-6-4-17(11-22(23)26(31)
    30-14-19-3-1-2-9-29-19)21
    -8-10-28-13-18(21)15-32-2
    0-5-7-24-25(12-20)34-16-3
    3-24/h1-7,9,11-12,18,21,2
    8H,8,10,13-16H2,(H,30,31)
    /t18-,21-/m0/s1;
    DXYYFJOVZVSYFY-RXVVDRJESA-N    		 Fc1ccc(cc1C(=O)NCc2ccccn2)[CH]3CCNC[CH]3
    COc4ccc5OCOc5c4; O=C(c1c(ccc(c1)C2CCNCC2
    COc3ccc4c(c3)OCO4)F)NCc5ncccc5; c1ccnc(c
    1)CNC(=O)c2cc(ccc2F)C3CCNCC3COc4ccc5c(c4
    )OCO5; Fc1ccc(cc1C(=O)NCc2ccccn2)[C@@H]3
    CCNC[C@H]3COc4ccc5OCOc5c4; c1ccnc(c1)CNC
    (=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5
    c(c4)OCO5    		 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide
    10324 8DK
    CHEMBL3753529
    ZINC000009517821    		 1 C22 H20 N6 O4 InChI=1S/C22H20N6O4/c1-13
    -3-5-16(7-14(13)2)28-21-2
    0(25-26-28)22(30)27(11-24
    -21)10-19(29)23-9-15-4-6-
    17-18(8-15)32-12-31-17/h3
    -8,11H,9-10,12H2,1-2H3,(H
    ,23,29);
    ZUYKNWLWIGKTSN-UHFFFAOYSA-N    		 Cc1ccc(cc1C)n2c3c(nn2)C(=O)N(C=N3)CC(=O)
    NCc4ccc5c(c4)OCO5; Cc1ccc(cc1C)n2nnc3C(=
    O)N(CC(=O)NCc4ccc5OCOc5c4)C=Nc23    		 N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanamide
    10325 8DM
    CHEMBL3278332
    ZINC000001696610    		 6 C12 H14 N2 O5 InChI=1S/C12H14N2O5/c13-8
    -3-1-7(2-4-8)11(17)14-9(1
    2(18)19)5-6-10(15)16/h1-4
    ,9H,5-6,13H2,(H,14,17)(H,
    15,16)(H,18,19)/t9-/m0/s1;
    GADGMZDHLQLZRI-VIFPVBQESA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N;
    Nc1ccc(cc1)C(=O)N[CH](CCC(O)=O)C(O)=O;
    Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O;
    c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N; c
    1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N    		 N-(4-aminobenzene-1-carbonyl)-L-glutamic acid
    10326 8DN 0 C11 H13 N3 InChI=1S/C11H13N3/c1-8-4-
    9(2)6-11(5-8)14-7-10(3)12
    -13-14/h4-7H,1-3H3;
    BNUSQUIRQQKLJD-UHFFFAOYSA-N    		 Cc1cc(C)cc(c1)n2cc(C)nn2; Cc1cc(C)cc(c1)
    n1cc(C)nn1; Cc1cc(cc(c1)n2cc(nn2)C)C    		 1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole
    10327 8DP 8 C16 H19 N5 O9 P InChI=1S/C16H18N5O9P/c1-6
    -2-8-9(3-7(6)17)21(14-12(
    18-8)15(25)20-16(26)19-14
    )4-10(22)13(24)11(23)5-30
    -31(27,28)29/h2-3,11,13,2
    3-24H,4-5H2,1H3,(H5,17,19
    ,20,25,26,27,28,29)/p+1/t
    11-,13+/m0/s1;
    SDTLZDHOYFRAPQ-WCQYABFASA-O    		 Cc1cc2nc3C(=O)NC(=O)Nc3[n+](CC(=O)[CH](O
    )[CH](O)CO[P](O)(O)=O)c2cc1N; Cc1cc2c(cc
    1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]
    ([C@H](COP(=O)(O)O)O)O; Cc1cc2nc3C(=O)NC
    (=O)Nc3[n+](CC(=O)[C@@H](O)[C@@H](O)CO[P
    ](O)(O)=O)c2cc1N; Cc1cc2c(cc1N)[n+](c3c(
    n2)C(=O)NC(=O)N3)CC(=O)C(C(COP(=O)(O)O)O
    )O    		 8-demethyl-8-aminoriboflavin-5'-phosphate
    10328 8DQ
    CHEMBL1363184
    ZINC000002507616    		 1 C19 H18 N2 O2 InChI=1S/C19H18N2O2/c22-1
    7-13-18(21-11-9-20-10-12-
    21)23-19-15(7-4-8-16(17)1
    9)14-5-2-1-3-6-14/h1-8,13
    ,20H,9-12H2;
    NGAGMBNBKCDCDJ-UHFFFAOYSA-N    		 c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4; O
    =C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4; O=C1
    c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4    		 8-phenyl-2-piperazin-1-yl-chromen-4-one
    10329 8DR
    CHEMBL1078974
    ZINC000044667951    		 2 C17 H19 N7 O5 S3 InChI=1S/C17H19N7O5S3/c18
    -17(19)20-7-2-4-11(16(26)
    27)21-15(25)14-10(6-8-30-
    14)24-32(28,29)12-5-1-3-9
    -13(12)23-31-22-9/h1,3,5-
    6,8,11,24H,2,4,7H2,(H,21,
    25)(H,26,27)(H4,18,19,20)
    /t11-/m0/s1;
    ZWWMEDURALZMEV-NSHDSACASA-N    		 c1cc2c(c(c1)S(=O)(=O)Nc3ccsc3C(=O)NC(CCC
    NC(=N)N)C(=O)O)nsn2; O=C(O)C(NC(=O)c1scc
    c1NS(=O)(=O)c2cccc3nsnc23)CCCNC(=[N@H])N
    ; NC(=N)NCCC[C@H](NC(=O)c1sccc1N[S](=O)(
    =O)c2cccc3nsnc23)C(O)=O; [H]/N=C(/N)\NCC
    C[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)
    c2cccc3c2nsn3; NC(=N)NCCC[CH](NC(=O)c1sc
    cc1N[S](=O)(=O)c2cccc3nsnc23)C(O)=O    		 (S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid;
    (2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
    10330 8DS 1 C16 H12 Cl2 N2 O S InChI=1S/C16H12Cl2N2OS/c1
    7-11-3-1-10(2-4-11)5-6-20
    -16(21)14-7-12-13(18)8-19
    -9-15(12)22-14/h1-4,7-9H,
    5-6H2,(H,20,21);
    QRJZINDCUNBUGT-UHFFFAOYSA-N    		 c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl; C
    lc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1    		 4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
    10331 8DT
    ZINC000584905393    		 0 C14 H20 N3 O9 P InChI=1S/C14H20N3O9P/c1-8
    (18)15-4-2-3-9-6-17(14(21
    )16-13(9)20)12-5-10(19)11
    (26-12)7-25-27(22,23)24/h
    2-3,6,10-12,19H,4-5,7H2,1
    H3,(H,15,18)(H,16,20,21)(
    H2,22,23,24)/b3-2+/t10-,1
    1+,12+/m0/s1;
    JBKMBEZUJCTZND-FBUKTIRESA-N    		 CC(=O)NCC=CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO
    P(=O)(O)O)O; CC(=O)NC/C=C/C1=CN(C(=O)NC1
    =O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O;
    CC(=O)NC/C=C/C1=CN([C@H]2C[C@H](O)[C@@H
    ](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC(=O)NCC
    =CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)
    O2)C(=O)NC1=O    		 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine
    10332 8DU
    CHEMBL3342588
    ZINC000299831505    		 1 C20 H17 Cl N2 O5 InChI=1S/C20H17ClN2O5/c1-
    27-12-6-4-10(5-7-12)17-18
    (13-8-14(21)16(25)9-15(13
    )24)23-28-20(17)22-19(26)
    11-2-3-11/h4-9,11,24-25H,
    2-3H2,1H3,(H,22,26);
    DWCUAHBOVUBFHQ-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c(NC(=O)C3CC3)onc2c4cc(Cl)
    c(O)cc4O; COc1ccc(cc1)c2c(noc2NC(=O)C3CC
    3)c4cc(c(cc4O)O)Cl    		 N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
    10333 8DV 1 C23 H26 N4 O3 S InChI=1S/C23H26N4O3S/c1-1
    5-14-30-12-11-27(15)21-13
    -20(23(8-9-23)31(28,29)16
    -5-6-16)25-22(26-21)18-3-
    2-4-19-17(18)7-10-24-19/h
    2-4,7,10,13,15-16,24H,5-6
    ,8-9,11-12,14H2,1H3/t15-/
    m1/s1;
    NTJNSGIJAQGTSK-OAHLLOKOSA-N    		 C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]
    4)C5(CC5)S(=O)(=O)C6CC6; C[CH]1COCCN1c2c
    c(nc(n2)c3cccc4[nH]ccc34)C5(CC5)[S](=O)(
    =O)C6CC6; C[C@@H]1COCCN1c2cc(nc(n2)c3ccc
    c4[nH]ccc34)C5(CC5)[S](=O)(=O)C6CC6; CC1
    COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5
    )S(=O)(=O)C6CC6; C1(C)COCCN1c6cc(C3(S(=O
    )(=O)C2CC2)CC3)nc(c4c5c(ccc4)ncc5)n6    		 (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine;
    4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole
    10334 8DW 2 C22 H19 F N4 O5 S InChI=1S/C22H19FN4O5S/c1-
    27(2)22(28)15-6-13(9-24-1
    0-15)14-7-18-19(12-26-21(
    18)25-11-14)17-8-16(32-33
    (23,29)30)4-5-20(17)31-3/
    h4-12H,1-3H3,(H,25,26);
    NPCQFNRTXVLCCU-UHFFFAOYSA-N    		 CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4
    cc(ccc4OC)OS(=O)(=O)F; COc1ccc(O[S](F)(=
    O)=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O
    )N(C)C    		 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine
    10335 8DX
    ZINC000058638347    		 2 C11 H17 N O7 InChI=1S/C11H17NO7/c12-6(
    9(14)15)2-11(10(16)17)3-8
    -7(19-11)1-5(13)4-18-8/h5
    -8,13H,1-4,12H2,(H,14,15)
    (H,16,17)/t5-,6-,7+,8+,11
    +/m0/s1;
    JVLNPAVKDNEYGY-NRURWVQNSA-N    		 O=C(O)C(N)CC2(OC1C(OCC(O)C1)C2)C(=O)O; C
    1C(COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O)O; C1
    [C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H]
    (C(=O)O)N)C(=O)O)O; N[CH](C[C]1(C[CH]2OC
    [CH](O)C[CH]2O1)C(O)=O)C(O)=O; N[C@@H](C
    [C@@]1(C[C@H]2OC[C@@H](O)C[C@H]2O1)C(O)=
    O)C(O)=O    		 (2R,3aR,6S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
    10336 8DY
    ZINC000071297123    		 1 C22 H25 N5 O3 S InChI=1S/C22H25N5O3S/c1-1
    5(14-27(2)3)31(29,30)18-1
    1-9-16(10-12-18)19-13-24-
    21(23)20(26-19)22(28)25-1
    7-7-5-4-6-8-17/h4-13,15H,
    14H2,1-3H3,(H2,23,24)(H,2
    5,28)/t15-/m0/s1;
    GNEFGLFGNKFHAR-HNNXBMFYSA-N    		 C(C)(CN(C)C)S(=O)(=O)c3ccc(c1cnc(c(n1)C(
    =O)Nc2ccccc2)N)cc3; CC(CN(C)C)S(=O)(=O)c
    1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N; C[
    CH](CN(C)C)[S](=O)(=O)c1ccc(cc1)c2cnc(N)
    c(n2)C(=O)Nc3ccccc3; C[C@@H](CN(C)C)[S](
    =O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3cc
    ccc3; C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)
    c2cnc(c(n2)C(=O)Nc3ccccc3)N    		 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide
    10337 8DZ
    CHEMBL126075
    DB13715
    ZINC000022454221    		 1 C31 H44 N2 O10 InChI=1S/C31H44N2O10/c1-3
    6-24-18-22(19-25(37-2)28(
    24)40-5)30(34)42-16-8-12-
    32-10-7-11-33(15-14-32)13
    -9-17-43-31(35)23-20-26(3
    8-3)29(41-6)27(21-23)39-4
    /h18-21H,7-17H2,1-6H3;
    QVZCXCJXTMIDME-UHFFFAOYSA-N    		 COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CC
    COC(=O)c3cc(c(c(c3)OC)OC)OC; COc3cc(C(OC
    CCN2CCCN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)C
    C2)=O)cc(c3OC)OC; COc1cc(cc(OC)c1OC)C(=O
    )OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c
    3)CC2    		 (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
    10338 8E1
    CHEMBL271595
    ZINC000013470481    		 4 C16 H12 N4 O3 S2 InChI=1S/C16H12N4O3S2/c17
    -25(22,23)10-3-1-9(2-4-10
    )18-7-11-14-12(20-16(11)2
    1)5-6-13-15(14)24-8-19-13
    /h1-8,18H,(H,20,21)(H2,17
    ,22,23)/b11-7-;
    LTYGAJVXAFJKSY-XFFZJAGNSA-N    		 c1cc(ccc1NC=C2c3c(ccc4c3scn4)NC2=O)S(=O)
    (=O)N; N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3cc
    c4ncsc4c23)cc1; N[S](=O)(=O)c1ccc(N\C=C\
    2C(=O)Nc3ccc4ncsc4c\23)cc1; c1cc(ccc1N/C
    =C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N; c1
    cc(ccc1S(=O)(=O)N)N\C=C4\c2c(ccc3ncsc23)
    NC4=O    		 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
    10339 8E2 1 C38 H52 N10 O9 InChI=1S/C38H52N10O9/c1-3
    8(2,3)57-33(50)27-54-24-2
    3-53-22-21-52-20-19-51-18
    -10-40-32(49)26-56-29-8-6
    -28(7-9-29)46-14-11-45(12
    -15-46)13-16-47-35-30(25-
    41-47)36-42-34(31-5-4-17-
    55-31)44-48(36)37(39)43-3
    5/h4-9,17,25H,10-16,18-24
    ,26-27H2,1-3H3,(H2,39,43)
    (H,40,49);
    BIWDHFUPTSCUTC-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc
    (cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)
    N)c6ccco6; CC(C)(C)OC(=O)COCCOCCOCCOCCNC
    (=O)COc1ccc(cc1)N2CCN(CC2)CCn3ncc4c3nc(N
    )n5nc(nc45)c6occc6    		 Preladenant conjugate PSB-2113;
    ~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate
    10340 8E3
    CHEMBL4288572    		 4 C15 H13 F N4 O2 InChI=1S/C15H13FN4O2/c16-
    8-4-9(14(17)21)13-10(5-8)
    19-15(20-13)11-3-7-1-2-18
    -6-12(7)22-11/h3-5,18H,1-
    2,6H2,(H2,17,21)(H,19,20);
    BLVQSAHMDXWBNC-UHFFFAOYSA-N    		 c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNC
    C4)F; NC(=O)c1cc(F)cc2[nH]c(nc12)c3oc4CN
    CCc4c3    		 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
    10341 8E4 2 C16 H27 N O3 InChI=1S/C16H27NO3/c1-2-4
    -13(8-10-18)12-20-15-6-3-
    5-14(11-15)16(19)7-9-17/h
    3,5-6,11,13,16,18-19H,2,4
    ,7-10,12,17H2,1H3/t13-,16
    +/m0/s1;
    UARCALHUUKLSEU-XJKSGUPXSA-N    		 CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O;
    C(CC(CCO)COc1cccc(c1)C(CCN)O)C; CCC[CH](
    CCO)COc1cccc(c1)[CH](O)CCN; CCCC(CCO)COc
    1cccc(c1)C(CCN)O; CCC[C@@H](CCO)COc1cccc
    (c1)[C@H](O)CCN    		 (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol
    10342 8E6
    CHEMBL4280657    		 1 C15 H13 F N4 O S InChI=1S/C15H13FN4OS/c16-
    8-4-9(14(17)21)13-10(5-8)
    19-15(20-13)12-3-7-6-18-2
    -1-11(7)22-12/h3-5,18H,1-
    2,6H2,(H2,17,21)(H,19,20);
    RVBDGUXYQPDTTD-UHFFFAOYSA-N    		 NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CCNCc4c3
    ; c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)C
    CNC4)F    		 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
    10343 8E7
    ZINC000001736661    		 0 C12 H27 N S InChI=1S/C12H27NS/c1-2-3-
    4-5-6-7-8-9-10-13-11-12-1
    4/h13-14H,2-12H2,1H3;
    WOWHRXFAFVDNAP-UHFFFAOYSA-N    		 CCCCCCCCCCNCCS 2-(decylamino)ethane-1-thiol
    10344 8E8
    CHEMBL3747532    		 2 C25 H26 N6 O2 InChI=1S/C25H26N6O2/c1-2-
    21(32)30-14-6-7-18(15-30)
    31-25-22(24(26)27-16-28-2
    5)23(29-31)17-10-12-20(13
    -11-17)33-19-8-4-3-5-9-19
    /h3-5,8-13,16,18H,2,6-7,1
    4-15H2,1H3,(H2,26,27,28)/
    t18-/m1/s1;
    ROGRQCNRPWIQJN-GOSISDBHSA-N    		 CCC(=O)N1CCC[C@H](C1)n2nc(c3ccc(Oc4ccccc
    4)cc3)c5c(N)ncnc25; CCC(=O)N1CCCC(C1)n2c
    3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N; CC
    C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)
    Oc5ccccc5)c(ncn3)N; CCC(=O)N1CCC[CH](C1)
    n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25    		 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one;
    Ibrutinib (bound form)
    10345 8E9
    CHEMBL1207842
    ZINC000029131032    		 4 C21 H16 N2 O5 S InChI=1S/C21H16N2O5S/c1-1
    1-5-4-6-12(9-11)23-15-10-
    16(29(26,27)28)19(22)18-1
    7(15)20(24)13-7-2-3-8-14(
    13)21(18)25/h2-10,23H,22H
    2,1H3,(H,26,27,28);
    AYMOWRNYHLSUHI-UHFFFAOYSA-N    		 Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O
    )N)S(=O)(=O)O; Cc1cccc(Nc2cc(c(N)c3C(=O)
    c4ccccc4C(=O)c23)[S](O)(=O)=O)c1; O=S(=O
    )(O)c3cc(c2C(=O)c1ccccc1C(=O)c2c3N)Nc4cc
    (ccc4)C    		 1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
    10346 8EA
    CHEMBL2010102
    ZINC000059364693    		 1 C19 H32 Cl N S2 InChI=1S/C19H32ClNS2/c1-2
    -3-4-5-6-7-8-9-14-21-15-1
    6-22-23-17-18-10-12-19(20
    )13-11-18/h10-13,21H,2-9,
    14-17H2,1H3;
    MTCITSZEZJBERN-UHFFFAOYSA-N    		 C(CCCCCCCC)CNCCSSCc1ccc(cc1)Cl; CCCCCCCC
    CCNCCSSCc1ccc(Cl)cc1; CCCCCCCCCCNCCSSCc1
    ccc(cc1)Cl    		 N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine
    10347 8EB 1 C10 H15 N5 O9 P2 Se InChI=1S/C10H15N5O9P2Se/c
    11-10-13-8-7(9(17)14-10)1
    2-3-15(8)6-1-4(16)5(23-6)
    2-22-26(21,27)24-25(18,19
    )20/h3-6,16H,1-2H2,(H,21,
    27)(H2,18,19,20)(H3,11,13
    ,14,17)/t4-,5+,6+,26+/m0/
    s1;
    XCFKPSIHHMJWLO-PDRQRWKTSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(OP(=O)(O)O)[S
    eH])O)NC(=NC2=O)N; c1nc2c(n1[C@H]3C[C@@H
    ]([C@H](O3)CO[P@](=O)(OP(=O)(O)O)[SeH])O
    )NC(=NC2=O)N; NC1=NC(=O)c2ncn([CH]3C[CH]
    (O)[CH](CO[P]([SeH])(=O)O[P](O)(O)=O)O3)
    c2N1; NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[C@
    @H](CO[P@]([SeH])(=O)O[P](O)(O)=O)O3)c2N
    1    		 [[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate
    10348 8EC
    CHEMBL4290904    		 1 C15 H13 F N4 O S InChI=1S/C15H13FN4OS/c16-
    8-4-9(14(17)21)13-10(5-8)
    19-15(20-13)11-3-7-1-2-18
    -6-12(7)22-11/h3-5,18H,1-
    2,6H2,(H2,17,21)(H,19,20);
    DAIMOGAYMHVUBZ-UHFFFAOYSA-N    		 c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNC
    C4)F; NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CN
    CCc4c3    		 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
    10349 8EF 2 C12 H20 N4 O7 P2 S InChI=1S/C12H20N4O7P2S/c1
    -8-11(3-4-22-25(20,21)23-
    24(17,18)19)26-7-16(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,11H,1,3-4,6-7H2,2H3,(H,2
    0,21)(H2,13,14,15)(H2,17,
    18,19)/t11-/m0/s1;
    YBJKPSYOFQHZDJ-NSHDSACASA-N    		 Cc1ncc(c(n1)N)CN2CSC(C2=C)CCOP(=O)(O)OP(
    =O)(O)O; Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)C
    COP(=O)(O)OP(=O)(O)O; Cc1ncc(CN2CS[C@@H]
    (CCO[P](O)(=O)O[P](O)(O)=O)C2=C)c(N)n1;
    Cc1ncc(CN2CS[CH](CCO[P](O)(=O)O[P](O)(O)
    =O)C2=C)c(N)n1    		 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
    10350 8EH 4 C24 H27 N7 O5 S InChI=1S/C24H27N7O5S/c1-1
    4-12-25-22(26-13-14)21(32
    )16(3)37(33,34)30-24-29-2
    8-23(17-9-6-8-15(2)27-17)
    31(24)20-18(35-4)10-7-11-
    19(20)36-5/h6-13,16,21,32
    H,1-5H3,(H,29,30)/t16-,21
    -/m0/s1;
    HNGYVRSMVVCWGF-KKSFZXQISA-N    		 COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH
    ](O)c3ncc(C)cn3)nnc2c4cccc(C)n4; COc1ccc
    c(OC)c1n2c(N[S](=O)(=O)[C@@H](C)[C@H](O)
    c3ncc(C)cn3)nnc2c4cccc(C)n4; Cc1cccc(n1)
    c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C(c
    4ncc(cn4)C)O; Cc1cccc(n1)c2nnc(n2c3c(ccc
    c3OC)OC)NS(=O)(=O)[C@@H](C)[C@@H](c4ncc(
    cn4)C)O    		 (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide
    10351 8EI
    CHEMBL5169910    		 9 C20 H20 Cl F N6 O3 InChI=1S/C20H20ClFN6O3/c1
    -27-8-13-12(18(27)19(29)2
    4-11-3-5-15(22)14(21)7-11
    )4-6-16(13)25-20(30)31-9-
    17-23-10-28(2)26-17/h3,5,
    7-8,10,16H,4,6,9H2,1-2H3,
    (H,24,29)(H,25,30)/t16-/m
    0/s1;
    XELJQKQGQUNRJT-INIZCTEOSA-N    		 Cn1cc2c(c1C(=O)Nc3ccc(c(c3)Cl)F)CCC2NC(=
    O)OCc4ncn(n4)C; Cn1cnc(COC(=O)NC2CCc3c2c
    n(C)c3C(=O)Nc2ccc(F)c(Cl)c2)n1; Cn1cc2c(
    c1C(=O)Nc3ccc(c(c3)Cl)F)CC[C@@H]2NC(=O)O
    Cc4ncn(n4)C; Cn1cnc(COC(=O)N[CH]2CCc3c2c
    n(C)c3C(=O)Nc4ccc(F)c(Cl)c4)n1; Cn1cnc(C
    OC(=O)N[C@H]2CCc3c2cn(C)c3C(=O)Nc4ccc(F)
    c(Cl)c4)n1    		 (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate
    10352 8EJ
    CHEMBL4204179
    ZINC000000039575    		 3 C7 H8 N2 O InChI=1S/C7H8N2O/c1-5-2-3
    -6(4-9-5)7(8)10/h2-4H,1H3
    ,(H2,8,10);
    IJXDURUAYOKSIS-UHFFFAOYSA-N    		 Cc1ccc(cn1)C(=O)N; Cc1ccc(cn1)C(N)=O 6-methylpyridine-3-carboxamide
    10353 8EK
    CHEMBL4071212    		 2 C18 H13 N3 O3 S2 InChI=1S/C18H13N3O3S2/c19
    -9-13-16(14-5-2-6-25-14)2
    0-18(21-17(13)24)26-10-12
    -4-1-3-11(7-12)8-15(22)23
    /h1-7H,8,10H2,(H,22,23)(H
    ,20,21,24);
    RJQYGCGMQYVVIB-UHFFFAOYSA-N    		 c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs
    3)CC(=O)O; OC(=O)Cc1cccc(CSC2=NC(=C(C#N)
    C(=O)N2)c3sccc3)c1    		 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid
    10354 8EL 9 C12 H20 N4 O7 P2 S InChI=1S/C12H20N4O7P2S/c1
    -8-11(3-4-22-25(20,21)23-
    24(17,18)19)26-7-16(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    H,3-4,6-7H2,1-2H3,(H,20,2
    1)(H2,13,14,15)(H2,17,18,
    19);
    FCUXBJDJFWOWMD-UHFFFAOYSA-N    		 Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(
    O)=O)c(N)n1; Cc1ncc(c(n1)N)CN2CSC(=C2C)C
    COP(=O)(O)OP(=O)(O)O    		 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
    10355 8EM 2 C37 H31 N7 O3 InChI=1S/C37H31N7O3/c1-2-
    9-34-38-33-20-19-28(43(24
    -29-12-8-21-47-29)36(45)2
    7-10-4-3-5-11-27)22-32(33
    )37(46)44(34)23-25-15-17-
    26(18-16-25)30-13-6-7-14-
    31(30)35-39-41-42-40-35/h
    3-8,10-22H,2,9,23-24H2,1H
    3,(H,39,40,41,42);
    SYDVEZUPFQXMSM-UHFFFAOYSA-N    		 CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4cccc
    c4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7; N
    4(Cc1ccc(cc1)c2c(cccc2)c3nnnn3)C(=Nc5ccc
    (cc5C4=O)N(C(c6ccccc6)=O)Cc7occc7)CCC; C
    CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc
    4c5n[nH]nn5)N(Cc6occc6)C(=O)c7ccccc7    		 N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
    10356 8EN
    CHEMBL4216073    		 3 C24 H19 F3 N4 O2 InChI=1S/C24H19F3N4O2/c1-
    14-6-8-19(29-23(33)16-4-3
    -5-18(10-16)24(25,26)27)1
    1-20(14)17-7-9-22-30-21(2
    8-15(2)32)13-31(22)12-17/
    h3-13H,1-2H3,(H,28,32)(H,
    29,33);
    MRTHXFZEQBERDI-UHFFFAOYSA-N    		 Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c
    4cccc(c4)C(F)(F)F; CC(=O)Nc1cn2cc(ccc2n1
    )c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C    		 ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
    10357 8EO 1 C12 H21 N4 O7 P2 S InChI=1S/C12H20N4O7P2S/c1
    -8-11(3-4-22-25(20,21)23-
    24(17,18)19)26-7-16(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,11H,3-4,6-7H2,1-2H3,(H4-
    ,13,14,15,17,18,19,20,21)
    /p+1/t11-/m0/s1;
    FAOXQWUECSMMCY-NSHDSACASA-O    		 Cc1ncc(c(n1)N)C[N+]2=C(C(SC2)CCOP(=O)(O)
    OP(=O)(O)O)C; Cc1ncc(C[N+]2=C(C)[CH](CCO
    [P](O)(=O)O[P](O)(O)=O)SC2)c(N)n1; Cc1nc
    c(C[N+]2=C(C)[C@H](CCO[P](O)(=O)O[P](O)(
    O)=O)SC2)c(N)n1; Cc1ncc(c(n1)N)C[N+]2=C(
    [C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C    		 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
    10358 8EP
    ZINC000038207322    		 2 C11 H17 N O8 InChI=1S/C11H17NO8/c12-4(
    9(15)16)1-11(10(17)18)2-6
    -8(20-11)7(14)5(13)3-19-6
    /h4-8,13-14H,1-3,12H2,(H,
    15,16)(H,17,18)/t4-,5+,6+
    ,7-,8-,11+/m0/s1;
    NRTJEXLNSCGBJU-JROTZIKASA-N    		 N[C@@H](C[C@@]1(C[C@H]2OC[C@@H](O)[C@H](
    O)[C@H]2O1)C(O)=O)C(O)=O; C1C2C(C(C(CO2)
    O)O)OC1(CC(C(=O)O)N)C(=O)O; O=C(O)C(N)CC
    2(OC1C(OCC(O)C1O)C2)C(=O)O; N[CH](C[C]1(
    C[CH]2OC[CH](O)[CH](O)[CH]2O1)C(O)=O)C(O
    )=O; C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)
    O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O    		 (2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
    10359 8EQ
    CHEMBL4072922    		 6 C12 H12 Cl N O5 InChI=1S/C12H12ClNO5/c1-2
    -18-9-6-10-8(5-7(9)13)14(
    12(17)19-10)4-3-11(15)16/
    h5-6H,2-4H2,1H3,(H,15,16);
    KPOKXAQERBEAHE-UHFFFAOYSA-N    		 CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O; CCOc
    1cc2OC(=O)N(CCC(O)=O)c2cc1Cl    		 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
    10360 8ES
    CHEMBL289472
    ZINC000003842574    		 3 C36 H29 N7 O2 S InChI=1S/C36H29N7O2S/c1-2
    -33-37-31-19-18-27(42(22-
    24-9-4-3-5-10-24)36(45)32
    -13-8-20-46-32)21-30(31)3
    5(44)43(33)23-25-14-16-26
    (17-15-25)28-11-6-7-12-29
    (28)34-38-40-41-39-34/h3-
    21H,2,22-23H2,1H3,(H,38,3
    9,40,41);
    KDPHUUTUDFDLBT-UHFFFAOYSA-N    		 CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc
    4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7; N4
    (C(c3c(ccc(N(C(=O)c1cccs1)Cc2ccccc2)c3)N
    =C4CC)=O)Cc7ccc(c6ccccc6c5nnnn5)cc7; CCC
    1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5
    n[nH]nn5)N(Cc6ccccc6)C(=O)c7sccc7    		 N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
    10361 8ET
    CHEMBL1343177
    ZINC000000556491    		 2 C15 H11 N3 O InChI=1S/C15H11N3O/c19-15
    (11-4-2-8-16-10-11)18-14-
    7-1-6-13-12(14)5-3-9-17-1
    3/h1-10H,(H,18,19);
    OLVQCHMCFCRHSB-UHFFFAOYSA-N    		 c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3; O=C(Nc
    1cccc2ncccc12)c3cccnc3    		 ~{N}-quinolin-5-ylpyridine-3-carboxamide
    10362 8EU 2 C9 H12 N O5 P InChI=1S/C9H12NO5P/c1-2-1
    6(13,14)15-7-8-3-5-9(6-4-
    8)10(11)12/h3-6H,2,7H2,1H
    3,(H,13,14);
    JKNVUUFWZPUKAB-UHFFFAOYSA-N    		 CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O; CC
    P(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]    		 ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
    10363 8EV
    CHEMBL4116969    		 8 C19 H18 N4 O InChI=1S/C19H18N4O/c1-22-
    11-15-6-14(10-20)7-17(8-1
    5)24-12-13-2-3-16-4-5-19(
    21)23-18(16)9-13/h2-9,22H
    ,11-12H2,1H3,(H2,21,23);
    QYHMAWINXHLCMX-UHFFFAOYSA-N    		 c31nc(ccc1ccc(COc2cc(cc(CNC)c2)C#N)c3)N;
    CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N;
    CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N    		 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
    10364 8EW 2 C6 H8 O4 InChI=1S/C6H8O4/c1-4(2-5(
    7)8)3-6(9)10/h2H,3H2,1H3,
    (H,7,8)(H,9,10);
    WKRBKYFIJPGYQC-UHFFFAOYSA-N    		 CC(=CC(=O)O)CC(=O)O; CC(CC(O)=O)=CC(O)=O
    ; C\C(CC(O)=O)=C\C(O)=O    		 3-methylpent-2-enedioic acid
    10365 8EX
    ZINC000012494419    		 6 C8 H15 N O12 S2 InChI=1S/C8H15NO12S2/c1-3
    (10)9-5-6(11)7(21-23(16,1
    7)18)4(20-8(5)12)2-19-22(
    13,14)15/h4-8,11-12H,2H2,
    1H3,(H,9,10)(H,13,14,15)(
    H,16,17,18)/t4-,5-,6-,7+,
    8-/m1/s1;
    KWDXXNWKTRGMDM-UIAUGNHASA-N    		 CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OS(=O)(
    =O)O)O; CC(=O)N[C@H]1[C@H](O)O[C@H](CO[S
    ](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@@H]1O;
    CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1
    O)COS(=O)(=O)O)OS(=O)(=O)O)O; CC(=O)N[CH
    ]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](
    O)(=O)=O)[CH]1O    		 2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose;
    [(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate;
    N-acetyl-4-sulfo-6-sulfo-beta-D-galactopyranose;
    2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactose;
    2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactose;
    2-acetamido-2-deoxy-4,6-di-O-sulfo-galactose
    10366 8EY
    CHEMBL4079543    		 13 C20 H20 N4 O InChI=1S/C20H20N4O/c1-13-
    5-20(22)24-19-9-14(3-4-18
    (13)19)12-25-17-7-15(10-2
    1)6-16(8-17)11-23-2/h3-9,
    23H,11-12H2,1-2H3,(H2,22,
    24);
    NLOWGCVMDAJXMN-UHFFFAOYSA-N    		 CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
    ; Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC
    )N; c1(cc(CNC)cc(c1)OCc2cc3nc(cc(C)c3cc2
    )N)C#N    		 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
    10367 8EZ
    ZINC000000389535    		 2 C8 H14 O2 InChI=1S/C8H14O2/c1-6-4-2
    -3-5-7(6)8(9)10/h6-7H,2-5
    H2,1H3,(H,9,10)/t6-,7+/m0
    /s1;
    VSKXJRZPVDLHFY-NKWVEPMBSA-N    		 C[CH]1CCCC[CH]1C(O)=O; CC1CCCCC1C(=O)O;
    C[C@H]1CCCC[C@H]1C(=O)O; C[C@H]1CCCC[C@H
    ]1C(O)=O    		 (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid
    10368 8F0
    CHEMBL4161704    		 1 C22 H27 N3 O InChI=1S/C22H27N3O/c1-14-
    5-7-17(8-6-14)15(2)23-18-
    9-12-20-21(13-18)25(19-10
    -11-19)16(3)22(26)24(20)4
    /h5-9,12-13,15-16,19,23H,
    10-11H2,1-4H3/t15-,16-/m0
    /s1;
    UJLYWYBIZBFHNH-HOTGVXAUSA-N    		 Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C
    (=O)N3C)C)C4CC4; C[C@H](Nc1ccc2N(C)C(=O)
    [C@H](C)N(C3CC3)c2c1)c4ccc(C)cc4; Cc1ccc
    (cc1)C(C)Nc2ccc3c(c2)N(C(C(=O)N3C)C)C4CC
    4; C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)
    c2c1)c4ccc(C)cc4    		 (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one
    10369 8F1
    CHEMBL4099944    		 4 C21 H22 N4 O InChI=1S/C21H22N4O/c1-14-
    7-21(23)25-20-11-16(3-4-1
    9(14)20)13-26-18-9-15(5-6
    -24-2)8-17(10-18)12-22/h3
    -4,7-11,24H,5-6,13H2,1-2H
    3,(H2,23,25);
    QKCPYJJSYKWGHS-UHFFFAOYSA-N    		 N#Cc1cc(CCNC)cc(c1)OCc2cc3c(cc2)c(cc(N)n
    3)C; Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)
    CCNC)N; CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)
    cc(c1)C#N    		 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile
    10370 8F2
    CHEMBL4068642    		 1 C22 H20 N2 O5 S InChI=1S/C22H20N2O5S/c23-
    30(28,29)17-8-6-15(7-9-17
    )22(27)24-11-10-16-12-19(
    25)20(26)13-18(16)21(24)1
    4-4-2-1-3-5-14/h1-9,12-13
    ,21,25-26H,10-11H2,(H2,23
    ,28,29)/t21-/m1/s1;
    UBKCMPKCMMEDIG-OAQYLSRUSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(
    O)cc3[CH]2c4ccccc4; c1ccc(cc1)C2c3cc(c(c
    c3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O; c1c
    cc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(c
    c4)S(=O)(=O)N)O)O; N[S](=O)(=O)c1ccc(cc1
    )C(=O)N2CCc3cc(O)c(O)cc3[C@H]2c4ccccc4    		 (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide
    10371 8F3
    CHEMBL4095957    		 1 C22 H20 N2 O5 S InChI=1S/C22H20N2O5S/c23-
    30(28,29)17-8-6-15(7-9-17
    )22(27)24-11-10-16-12-19(
    25)20(26)13-18(16)21(24)1
    4-4-2-1-3-5-14/h1-9,12-13
    ,21,25-26H,10-11H2,(H2,23
    ,28,29)/t21-/m0/s1;
    UBKCMPKCMMEDIG-NRFANRHFSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(
    O)cc3[CH]2c4ccccc4; c1ccc(cc1)C2c3cc(c(c
    c3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O; c1c
    cc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc
    4)S(=O)(=O)N)O)O; N[S](=O)(=O)c1ccc(cc1)
    C(=O)N2CCc3cc(O)c(O)cc3[C@@H]2c4ccccc4    		 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide
    10372 8F4
    CHEMBL288850
    ZINC000003785353    		 1 C6 H12 N2 O InChI=1S/C6H12N2O/c7-5-3-
    1-2-4-8-6(5)9/h5H,1-4,7H2
    ,(H,8,9)/t5-/m0/s1;
    BOWUOGIPSRVRSJ-YFKPBYRVSA-N    		 N[CH]1CCCCNC1=O; C1CCNC(=O)[C@H](C1)N; N
    [C@H]1CCCCNC1=O; C1CCNC(=O)C(C1)N    		 (3~{S})-3-azanylazepan-2-one
    10373 8F5 1 C47 H62 N4 O14 InChI=1S/C47H62N4O14/c1-9
    -10-24-39-27(13-16-33(56)
    57)46(7,22-37(64)65)47(8,
    51-39)42-28(19-35(60)61)4
    4(5,18-17-34(58)59)40(50-
    42)23(2)38-26(12-15-32(54
    )55)43(3,4)30(49-38)20-29
    -25(11-14-31(52)53)45(6,2
    1-36(62)63)41(24)48-29/h9
    ,20,23,25,27-28,42,51H,1,
    10-19,21-22H2,2-8H3,(H,52
    ,53)(H,54,55)(H,56,57)(H,
    58,59)(H,60,61)(H,62,63)(
    H,64,65)/b29-20-,39-24-/t
    23-,25-,27-,28+,42-,44-,4
    5+,46+,47+/m1/s1;
    VXYZYIAZOLQLTR-JBBZEPTESA-N    		 CC1C2=C(C(C(=N2)C=C3C(C(C(=N3)C(=C4C(C(C
    (N4)(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)C)(
    C)CC(=O)O)CCC(=O)O)CC=C)(C)CC(=O)O)CCC(=
    O)O)(C)C)CCC(=O)O; C[C@@H]1C2=C(C(C(=N2)
    /C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C
    @]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C
    )CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)
    /CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O;
    C[CH]1C2=C(CCC(O)=O)C(C)(C)C(=N2)C=C3N=
    C(C(=C4N[C](C)([CH]5N=C1[C](C)(CCC(O)=O)
    [CH]5CC(O)=O)[C](C)(CC(O)=O)[CH]4CCC(O)=
    O)CC=C)[C](C)(CC(O)=O)[CH]3CCC(O)=O; C[C
    @@H]1C2=C(CCC(O)=O)C(C)(C)C(=N2)\C=C3/N=
    C(\C(=C4/N[C@@](C)([C@@H]5N=C1[C@](C)(CC
    C(O)=O)[C@H]5CC(O)=O)[C@@](C)(CC(O)=O)[C
    @@H]4CCC(O)=O)CC=C)[C@@](C)(CC(O)=O)[C@@
    H]3CCC(O)=O
    10374 8F6 1 C21 H25 N3 O InChI=1S/C21H25N3O/c1-14(
    16-7-5-4-6-8-16)22-17-9-1
    2-19-20(13-17)24(18-10-11
    -18)15(2)21(25)23(19)3/h4
    -9,12-15,18,22H,10-11H2,1
    -3H3/t14-,15-/m1/s1;
    YJXOISPYJORRTP-HUUCEWRRSA-N    		 C[C@@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC3
    )c2c1)c4ccccc4; C[C@@H]1C(=O)N(c2ccc(cc2
    N1C3CC3)N[C@H](C)c4ccccc4)C; C[CH](Nc1cc
    c2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4;
    CC1C(=O)N(c2ccc(cc2N1C3CC3)NC(C)c4ccccc
    4)C    		 (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one
    10375 8F7
    CHEMBL4117287    		 2 C21 H22 N4 InChI=1S/C21H22N4/c1-14-7
    -21(23)25-20-11-15(5-6-19
    (14)20)3-4-16-8-17(12-22)
    10-18(9-16)13-24-2/h5-11,
    24H,3-4,13H2,1-2H3,(H2,23
    ,25);
    RWCOIXDPXHFMEG-UHFFFAOYSA-N    		 CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
    ; N#Cc1cc(CNC)cc(c1)CCc2cc3c(cc2)c(cc(N)
    n3)C; Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N
    )CNC)N    		 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile
    10376 8F9
    CHEMBL4169634    		 1 C22 H27 N3 O InChI=1S/C22H27N3O/c1-14-
    5-7-17(8-6-14)15(2)23-18-
    9-12-20-21(13-18)25(19-10
    -11-19)16(3)22(26)24(20)4
    /h5-9,12-13,15-16,19,23H,
    10-11H2,1-4H3/t15-,16+/m0
    /s1;
    UJLYWYBIZBFHNH-JKSUJKDBSA-N    		 Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](
    C(=O)N3C)C)C4CC4; Cc1ccc(cc1)C(C)Nc2ccc3
    c(c2)N(C(C(=O)N3C)C)C4CC4; C[CH](Nc1ccc2
    N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4
    ; C[C@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC
    3)c2c1)c4ccc(C)cc4    		 (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one
    10377 8FB 0 C17 H29 N3 O6 S InChI=1S/C17H29N3O6S/c1-7
    -12(11(8(2)21)16(23)24)19
    -13(17(25)26)14(7)27-9-5-
    10(18-6-9)15(22)20(3)4/h7
    -14,18-19,21H,5-6H2,1-4H3
    ,(H,23,24)(H,25,26)/t7-,8
    -,9+,10+,11-,12-,13-,14+/
    m1/s1;
    RSEFIYIGPKKSNI-HXVKMORWSA-N    		 C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O
    )C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(
    C)C; CC1C(C(NC1C(C(C)O)C(=O)O)C(=O)O)SC2
    CC(NC2)C(=O)N(C)C; C[CH](O)[CH]([CH]1N[C
    H]([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1
    C)C(O)=O)C(O)=O; C[C@@H](O)[C@H]([C@@H]1
    N[C@H]([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N
    (C)C)[C@@H]1C)C(O)=O)C(O)=O    		 (3~{S},4~{R},5~{S})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid
    10378 8FC 1 C21 H25 N3 O3 S InChI=1S/C21H25N3O3S/c1-1
    4-5-10-17(11-6-14)28(26,2
    7)22-15-7-12-18-19(13-15)
    24(16-8-9-16)21(2,3)20(25
    )23(18)4/h5-7,10-13,16,22
    H,8-9H2,1-4H3;
    BMUTYNYGILXHBP-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O
    )N3C)(C)C)C4CC4; CN1C(=O)C(C)(C)N(C2CC2)
    c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13    		 ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
    10379 8FD
    CHEMBL4105240    		 12 C22 H24 N4 O InChI=1S/C22H24N4O/c1-14-
    6-22(24)26-21-11-16(4-5-2
    0(14)21)13-27-19-9-17(7-1
    5(2)25-3)8-18(10-19)12-23
    /h4-6,8-11,15,25H,7,13H2,
    1-3H3,(H2,24,26)/t15-/m0/
    s1;
    PUGNZMCPLRURSU-HNNXBMFYSA-N    		 Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CC(C)
    NC)N; CN[CH](C)Cc1cc(OCc2ccc3c(C)cc(N)nc
    3c2)cc(c1)C#N; Cc1cc(nc2c1ccc(c2)COc3cc(
    cc(c3)C#N)C[C@H](C)NC)N; CN[C@@H](C)Cc1c
    c(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N; N#Cc
    1cc(CC(NC)C)cc(c1)OCc2cc3c(cc2)c(cc(N)n3
    )C    		 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile
    10380 8FF 1 C33 H49 N O3 InChI=1S/C33H49NO3/c1-5-6
    -9-25(14-17-30(35)29-11-8
    -19-34-29)22(2)27-15-16-2
    8-26(10-7-18-33(27,28)4)1
    3-12-24-20-31(36)23(3)32(
    37)21-24/h8,11-13,19,22,2
    5,27-28,31-32,34,36-37H,3
    ,5-7,9-10,14-18,20-21H2,1
    -2,4H3/b26-13+/t22-,25+,2
    7-,28+,31-,32-,33-/m1/s1;
    LSFVNCITLLLHBJ-LTRSXRPOSA-N    		 CCCCC(CCC(=O)c1ccc[nH]1)C(C)C2CCC3C2(CCC
    C3=CC=C4CC(C(=C)C(C4)O)O)C; CCCC[CH](CCC
    (=O)c1[nH]ccc1)[CH](C)[CH]2CC[CH]3C(CCC[
    C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4; CCCC
    [C@@H](CCC(=O)c1[nH]ccc1)[C@@H](C)[C@H]2
    CC[C@H]3C(/CCC[C@]23C)=C/C=C\4C[C@@H](O)
    C(=C)[C@H](O)C\4; CCCC[C@@H](CCC(=O)c1cc
    c[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(C
    CC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C
    10381 8FG 0 C25 H25 N6 O8 P InChI=1S/C25H25N6O8P/c1-1
    2(32)30(15-6-7-17-14(9-15
    )8-13-4-2-3-5-16(13)17)25
    -27-21-22(28-24(26)29-23(
    21)34)31(25)20-10-18(33)1
    9(39-20)11-38-40(35,36)37
    /h2-7,9,18-20,33H,8,10-11
    H2,1H3,(H2,35,36,37)(H3,2
    6,28,29,34)/t18-,19+,20+/
    m0/s1;
    NDOGYHUMWQPHFA-XUVXKRRUSA-N    		 CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4
    C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N; CC(
    =O)N(c1ccc2c(Cc3ccccc23)c1)c4nc5C(=O)NC(
    =Nc5n4[C@H]6C[C@H](O)[C@@H](CO[P](O)(O)=
    O)O6)N; O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C
    3)COP(=O)(O)O)N(c6ccc5c4ccccc4Cc5c6)C(=O
    )C; CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5
    c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O
    )N=C(NC5=O)N; CC(=O)N(c1ccc2c(Cc3ccccc23
    )c1)c4nc5C(=O)NC(=Nc5n4[CH]6C[CH](O)[CH]
    (CO[P](O)(O)=O)O6)N    		 N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-ACETYLAMINOFLUORENE
    10382 8FH
    CHEMBL1171
    ZINC000003860797    		 3 C2 H3 Cl3 O InChI=1S/C2H3Cl3O/c3-2(4,
    5)1-6/h6H,1H2;
    KPWDGTGXUYRARH-UHFFFAOYSA-N    		 OCC(Cl)(Cl)Cl; C(C(Cl)(Cl)Cl)O 2,2,2-tris-chloroethanol
    10383 8FI 1 C17 H14 F3 N3 O2 InChI=1S/C17H14F3N3O2/c18
    -17(19,20)10-5-6-13(12(9-
    10)16(24)25)21-8-7-15-11-
    3-1-2-4-14(11)22-23-15/h1
    -6,9,21H,7-8H2,(H,22,23)(
    H,24,25);
    WSXHJABEUABMJU-UHFFFAOYSA-N    		 c1ccc2c(c1)c([nH]n2)CCNc3ccc(cc3C(=O)O)C
    (F)(F)F; FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc
    23)c(c1)C(=O)O; OC(=O)c1cc(ccc1NCCc2[nH]
    nc3ccccc23)C(F)(F)F    		 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
    10384 8FK 2 C19 H18 N2 O3 S InChI=1S/C19H18N2O3S/c1-2
    1-14-9-8-12(20-18(22)15-6
    -4-10-24-15)11-17(14)25-1
    6-7-3-2-5-13(16)19(21)23/
    h2-3,5,7-9,11,15H,4,6,10H
    2,1H3,(H,20,22)/t15-/m0/s
    1;
    DOZUHRRHXYFZFW-HNNXBMFYSA-N    		 CN1C(=O)c2ccccc2Sc3cc(NC(=O)[CH]4CCCO4)c
    cc13; CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)C4
    CCCO4; CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[
    C@@H]4CCCO4; CN1C(=O)c2ccccc2Sc3cc(NC(=O
    )[C@@H]4CCCO4)ccc13    		 (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide
    10385 8FL 18 C12 H20 N4 O8 P2 S InChI=1S/C12H20N4O8P2S/c1
    -7-10(3-4-23-26(21,22)24-
    25(18,19)20)27-12(17)16(7
    )6-9-5-14-8(2)15-11(9)13/
    h5,12,17H,3-4,6H2,1-2H3,(
    H,21,22)(H2,13,14,15)(H2,
    18,19,20)/t12-/m1/s1;
    GFCMTWPFATXWRY-GFCCVEGCSA-N    		 Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)
    (O)OP(=O)(O)O)O; Cc1ncc(CN2[C@H](O)SC(=C
    2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1; Cc1
    ncc(c(n1)N)CN2C(SC(=C2C)CCOP(=O)(O)OP(=O
    )(O)O)O; Cc1ncc(CN2[CH](O)SC(=C2C)CCO[P]
    (O)(=O)O[P](O)(O)=O)c(N)n1    		 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
    10386 8FM 3 C30 H40 N2 O8 S InChI=1S/C30H40N2O8S/c1-1
    9(2)15-32(41(35,36)23-11-
    9-22(37-3)10-12-23)16-27(
    33)26(13-20-7-5-4-6-8-20)
    31-30(34)40-28-21-14-24-2
    5(28)18-39-29(24)38-17-21
    /h4-12,19,21,24-29,33H,13
    -18H2,1-3H3,(H,31,34)/t21
    -,24-,25-,26+,27-,28+,29+
    /m1/s1;
    JVINLJIUYCLBEU-JBQMQJJESA-N    		 COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H](
    O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@H]4CO[
    C@H]5OC[C@@H]3[C@H]5C4; c5c(S(=O)(N(CC(C
    )C)CC(O)C(NC(OC2C1COC3C(C1)C2CO3)=O)Cc4c
    cccc4)=O)ccc(c5)OC; CC(C)CN(CC(C(Cc1cccc
    c1)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)(=O)c5
    ccc(cc5)OC; CC(C)CN(C[C@H]([C@H](Cc1cccc
    c1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[
    C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC; COc1c
    cc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](
    Cc2ccccc2)NC(=O)O[CH]3[CH]4CO[CH]5OC[CH]
    3[CH]5C4    		 (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
    10387 8FN
    ZINC000035453841    		 7 C22 H15 N5 O2 S InChI=1S/C22H15N5O2S/c28-
    22-15-3-1-2-4-18(15)30-19
    -11-13(5-8-17(19)27(22)14
    -6-7-14)20-25-21(29-26-20
    )16-12-23-9-10-24-16/h1-5
    ,8-12,14H,6-7H2;
    ASTXHKRSUWDWQE-UHFFFAOYSA-N    		 O=C1N(C2CC2)c3ccc(cc3Sc4ccccc14)c5noc(n5
    )c6cnccn6; c1ccc2c(c1)C(=O)N(c3ccc(cc3S2
    )c4nc(on4)c5cnccn5)C6CC6    		 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one
    10388 8FO 2 C18 H16 F4 O2 InChI=1S/C18H16F4O2/c1-3-
    13(17(23)24)11-6-7-14(15(
    8-11)18(20,21)22)12-5-4-1
    0(2)16(19)9-12/h4-9,13H,3
    H2,1-2H3,(H,23,24)/t13-/m
    1/s1;
    IZMCUINTVDMYCG-CYBMUJFWSA-N    		 CC[CH](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)
    C(F)(F)F; CCC(c1ccc(c(c1)C(F)(F)F)c2ccc(
    c(c2)F)C)C(=O)O; CC[C@H](c1ccc(c(c1)C(F)
    (F)F)c2ccc(c(c2)F)C)C(=O)O; CC[C@@H](C(O
    )=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F    		 (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid
    10389 8FP
    CHEMBL3683778
    ZINC000068203934    		 2 C37 H44 N4 O6 S2 InChI=1S/C37H44N4O6S2/c1-
    25(2)22-40(49(45,46)31-17
    -15-30(47-4)16-18-31)23-3
    4(42)32(20-27-10-6-5-7-11
    -27)39-35(43)28-12-8-13-2
    9(21-28)37(44)41-19-9-14-
    33(41)36-38-26(3)24-48-36
    /h5-8,10-13,15-18,21,24-2
    5,32-34,42H,9,14,19-20,22
    -23H2,1-4H3,(H,39,43)/t32
    -,33+,34+/m0/s1;
    ZHCCHBWXFODCGA-LBFZIJHGSA-N    		 COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)
    [CH](Cc2ccccc2)NC(=O)c3cccc(c3)C(=O)N4CC
    C[CH]4c5scc(C)n5; COc1ccc(cc1)[S](=O)(=O
    )N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=
    O)c3cccc(c3)C(=O)N4CCC[C@@H]4c5scc(C)n5;
    c5(ccc(S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1cc
    cc(c1)C(=O)N2CCCC2c3scc(n3)C)Cc4ccccc4)=
    O)cc5)OC; Cc1csc(n1)C2CCCN2C(=O)c3cccc(c
    3)C(=O)NC(Cc4ccccc4)C(CN(CC(C)C)S(=O)(=O
    )c5ccc(cc5)OC)O; Cc1csc(n1)[C@H]2CCCN2C(
    =O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@
    H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O    		 N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
    10390 8FQ
    CHEMBL4214962    		 1 C24 H27 F N6 O3 InChI=1S/C24H27FN6O3/c1-3
    1-17-9-4-10-18(34-2)21(17
    )30-22(31)16(8-5-11-27-19
    (26)12-25)29-23(32)15-7-3
    -6-14-13-28-24(33)20(14)1
    5/h3-4,6-7,9-10,16H,5,8,1
    1-13H2,1-2H3,(H2,26,27)(H
    ,28,33)(H,29,32)/t16-/m0/
    s1;
    DMTSALXYYYZIBF-INIZCTEOSA-N    		 Cn1c2cccc(c2nc1C(CCCNC(=N)CF)NC(=O)c3ccc
    c4c3C(=O)NC4)OC; [H]/N=C(\CF)/NCCC[C@@H]
    (c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)
    NC4; COc1cccc2n(C)c(nc12)[CH](CCCNC(=N)C
    F)NC(=O)c3cccc4CNC(=O)c34; COc1cccc2n(C)
    c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c3cccc4CN
    C(=O)c34    		 ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
    10391 8FR
    CHEMBL4084054    		 1 C17 H20 Cl N7 InChI=1S/C17H20ClN7/c1-24
    -9-15(20-10-24)22-16-13-8
    -11(18)2-3-14(13)21-17(23
    -16)25-6-4-12(19)5-7-25/h
    2-3,8-10,12H,4-7,19H2,1H3
    ,(H,21,22,23);
    FFRWUFYTZPMLTK-UHFFFAOYSA-N    		 Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N4CCC(N)CC4)
    c1; Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC
    4)N)Cl    		 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
    10392 8FS
    ZINC000000404197    		 0 C8 H4 F2 InChI=1S/C8H4F2/c1-2-6-3-
    4-7(9)5-8(6)10/h1,3-5H;
    HRUJQXRGWQWYDH-UHFFFAOYSA-N    		 C#Cc1ccc(cc1F)F; Fc1ccc(C#C)c(F)c1; Fc1c
    c(F)ccc1C#C    		 1-ethynyl-2,4-difluorobenzene
    10393 8FT
    CHEMBL4210993    		 1 C26 H31 F N6 O3 InChI=1S/C26H31FN6O3/c1-4
    -33-15-16-8-5-9-17(22(16)
    26(33)35)25(34)30-18(10-7
    -13-29-21(28)14-27)24-31-
    23-19(32(24)2)11-6-12-20(
    23)36-3/h5-6,8-9,11-12,18
    H,4,7,10,13-15H2,1-3H3,(H
    2,28,29)(H,30,34)/t18-/m0
    /s1;
    OVAMJGKJUQRQOY-SFHVURJKSA-N    		 CCN1Cc2cccc(C(=O)N[CH](CCCNC(=N)CF)c3nc4
    c(OC)cccc4n3C)c2C1=O; CCN1Cc2cccc(C(=O)N
    [C@@H](CCCNC(=N)CF)c3nc4c(OC)cccc4n3C)c2
    C1=O; CCN1Cc2cccc(c2C1=O)C(=O)NC(CCCNC(=
    N)CF)c3nc4c(n3C)cccc4OC; [H]/N=C(\CF)/NC
    CC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc
    4c3C(=O)N(C4)CC    		 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
    10394 8FU
    CHEMBL4079783    		 1 C18 H20 Cl N7 O InChI=1S/C18H20ClN7O/c1-1
    0-7-15(25-24-10)22-16-13-
    8-12(19)3-4-14(13)21-17(2
    3-16)18(27)26-6-5-20-11(2
    )9-26/h3-4,7-8,11,20H,5-6
    ,9H2,1-2H3,(H2,21,22,23,2
    4,25)/t11-/m1/s1;
    WQTMYTFWTYPJST-LLVKDONJSA-N    		 C[CH]1CN(CCN1)C(=O)c2nc(Nc3cc(C)[nH]n3)c
    4cc(Cl)ccc4n2; Cc1cc(n[nH]1)Nc2c3cc(ccc3
    nc(n2)C(=O)N4CCNC(C4)C)Cl; C[C@@H]1CN(CC
    N1)C(=O)c2nc(Nc3cc(C)[nH]n3)c4cc(Cl)ccc4
    n2; Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)
    N4CCN[C@@H](C4)C)Cl    		 [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
    10395 8FV
    CHEMBL4171228    		 1 C26 H21 N5 O2 InChI=1S/C26H21N5O2/c1-13
    -23(14(2)33-31-13)19-11-2
    1-18(12-22(19)32-4)24-25(
    28-15(3)29-26(24)30-21)17
    -9-10-27-20-8-6-5-7-16(17
    )20/h5-12H,1-4H3,(H,28,29
    ,30);
    AEANZCXROGPSBY-UHFFFAOYSA-N    		 Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]
    3)C)c5ccnc6c5cccc6; Cc6c(c3c(OC)cc2c1c(n
    c(nc1nc2c3)C)c5ccnc4ccccc45)c(C)no6; COc
    1cc2c([nH]c3nc(C)nc(c4ccnc5ccccc45)c23)c
    c1c6c(C)onc6C    		 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole
    10396 8FW 1 C22 H22 N6 O2 InChI=1S/C22H22N6O2/c1-13
    (23)24-11-5-10-18(20-26-1
    6-8-2-3-9-17(16)27-20)28-
    21(29)15-7-4-6-14-12-25-2
    2(30)19(14)15/h2-4,6-9,12
    ,18H,5,10-11H2,1H3,(H2,23
    ,24)(H,26,27)(H,28,29)/t1
    8-/m0/s1;
    YBTBNNSKYRVVMF-SFHVURJKSA-N    		 CC(=N)NCCC[C@H](NC(=O)c1cccc2C=NC(=O)c12
    )c3[nH]c4ccccc4n3; CC(=N)NCCCC(c1[nH]c2c
    cccc2n1)NC(=O)c3cccc4c3C(=O)N=C4; [H]/N=
    C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)
    c3cccc4c3C(=O)N=C4; CC(=N)NCCC[CH](NC(=O
    )c1cccc2C=NC(=O)c12)c3[nH]c4ccccc4n3    		 ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide
    10397 8FX
    CHEMBL4097816    		 1 C20 H22 Cl N7 O InChI=1S/C20H22ClN7O/c1-1
    1-10-28(7-6-22-11)20(29)1
    9-23-15-5-4-13(21)8-14(15
    )18(25-19)24-17-9-16(26-2
    7-17)12-2-3-12/h4-5,8-9,1
    1-12,22H,2-3,6-7,10H2,1H3
    ,(H2,23,24,25,26,27)/t11-
    /m1/s1;
    RTGFZUPLFGBDKE-LLVKDONJSA-N    		 CC1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([
    nH]n4)C5CC5)Cl; C[C@@H]1CN(CCN1)C(=O)c2n
    c3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl; C[C
    @@H]1CN(CCN1)C(=O)c2nc(Nc3cc([nH]n3)C4CC
    4)c5cc(Cl)ccc5n2; C[CH]1CN(CCN1)C(=O)c2n
    c(Nc3cc([nH]n3)C4CC4)c5cc(Cl)ccc5n2    		 [6-chloranyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
    10398 8FY
    CHEMBL4797564    		 2 C21 H18 N8 InChI=1S/C21H18N8/c1-22-2
    1-28-19-18(20(29-21)27-12
    -17-24-8-3-9-25-17)15(11-
    26-19)13-5-6-16-14(10-13)
    4-2-7-23-16/h2-11H,12H2,1
    H3,(H3,22,26,27,28,29);
    PMWVYONICYRLNY-UHFFFAOYSA-N    		 c2(c1c(cnc1nc(NC)n2)c4ccc3ncccc3c4)NCc5n
    cccn5; CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn
    4)c(n1)NCc5ncccn5; CNc1nc(NCc2ncccn2)c3c
    ([nH]cc3c4ccc5ncccc5c4)n1    		 N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    10399 8FZ 1 C10 H10 N2 O2 InChI=1S/C10H10N2O2/c11-6
    -8-3-4-10(13-8)14-9-2-1-5
    -12-7-9/h1-5,7H,6,11H2;
    RJCYIPHSGLVRCJ-UHFFFAOYSA-N    		 c1cc(cnc1)Oc2ccc(o2)CN; NCc1oc(Oc2cccnc2
    )cc1    		 (5-pyridin-3-yloxyfuran-2-yl)methanamine
    10400 8G0
    CHEMBL1871181
    ZINC000003845021    		 2 C8 H6 O4 InChI=1S/C8H6O4/c9-7(10)5
    -2-1-3-6(4-5)8(11)12/h1-4
    H,(H,9,10)(H,11,12);
    QQVIHTHCMHWDBS-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=O)O)C(=O)O; OC(=O)c1cccc(c
    1)C(O)=O    		 benzene-1,3-dicarboxylic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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