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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.
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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    14401 A1BSG 1 C15 H18 N2 O3 InChI=1S/C15H18N2O3/c16-1
    5(19)12-4-5-13(18)17(9-12
    )8-11-3-1-2-10-6-7-20-14(
    10)11/h1-3,12H,4-9H2,(H2,
    16,19)/t12-/m0/s1;
    AFDMLMKWXCGILH-LBPRGKRZSA-N    		 NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3CCOc23; N
    C(=O)[C@H]1CCC(=O)N(C1)Cc2cccc3CCOc23; N
    C(=O)C1CCC(=O)N(C1)Cc1cccc2CCOc12; c1cc2
    c(c(c1)CN3C[C@H](CCC3=O)C(=O)N)OCC2; c1c
    c2c(c(c1)CN3CC(CCC3=O)C(=O)N)OCC2    		 (3S)-1-[(2,3-dihydro-1-benzofuran-7-yl)methyl]-6-oxopiperidine-3-carboxamide
    14402 A1BSH 2 C16 H19 Br N2 O2 InChI=1S/C16H19BrN2O2/c17
    -13-5-1-3-10-6-7-12(14(10
    )13)16(21)19-8-2-4-11(9-1
    9)15(18)20/h1,3,5,11-12H,
    2,4,6-9H2,(H2,18,20)/t11-
    ,12?/m0/s1;
    AXUVEMNCADPROP-PXYINDEMSA-N    		 c1cc2c(c(c1)Br)C(CC2)C(=O)N3CCCC(C3)C(=O
    )N; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3ccc
    c(Br)c23; NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]
    2CCc3cccc(Br)c23; c1cc2c(c(c1)Br)[C@H](C
    C2)C(=O)N3CCC[C@@H](C3)C(=O)N; O=C(C1CCc
    2cccc(Br)c21)N1CCCC(C1)C(N)=O    		 (3S)-1-[(1R)-7-bromo-2,3-dihydro-1H-indene-1-carbonyl]piperidine-3-carboxamide
    14403 A1BSI 1 C16 H19 F3 N2 O3 InChI=1S/C16H19F3N2O3/c1-
    24-13-5-4-12(16(17,18)19)
    7-11(13)8-14(22)21-6-2-3-
    10(9-21)15(20)23/h4-5,7,1
    0H,2-3,6,8-9H2,1H3,(H2,20
    ,23)/t10-/m0/s1;
    PQPPRBLQDZEENG-JTQLQIEISA-N    		 COc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(N)=O)C
    (F)(F)F; COc1ccc(cc1CC(=O)N2CCC[CH](C2)C
    (N)=O)C(F)(F)F; COc1ccc(cc1CC(=O)N2CCC[C
    @@H](C2)C(=O)N)C(F)(F)F; COc1ccc(cc1CC(=
    O)N2CCCC(C2)C(=O)N)C(F)(F)F; O=C(Cc1cc(c
    cc1OC)C(F)(F)F)N1CCCC(C1)C(N)=O    		 (3S)-1-{[2-methoxy-5-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide
    14404 A1BSJ 2 C16 H22 N2 O3 InChI=1S/C16H22N2O3/c1-21
    -14-7-3-2-5-13(14)11-15(1
    9)18-9-4-6-12(8-10-18)16(
    17)20/h2-3,5,7,12H,4,6,8-
    11H2,1H3,(H2,17,20)/t12-/
    m0/s1;
    KYIQVLMLIAPQNM-LBPRGKRZSA-N    		 O=C(Cc1ccccc1OC)N1CCCC(CC1)C(N)=O; COc1c
    cccc1CC(=O)N2CCC[C@@H](CC2)C(=O)N; COc1c
    cccc1CC(=O)N2CCC[C@@H](CC2)C(N)=O; COc1c
    cccc1CC(=O)N2CCCC(CC2)C(=O)N; COc1ccccc1
    CC(=O)N2CCC[CH](CC2)C(N)=O    		 (4S)-1-[(2-methoxyphenyl)acetyl]azepane-4-carboxamide
    14405 A1BSK 2 C19 H24 Cl N3 O4 InChI=1S/C19H24ClN3O4/c1-
    27-16-4-2-3-15(20)14(16)8
    -17(24)23-9-11(18(21)25)7
    -12(10-23)19(26)22-13-5-6
    -13/h2-4,11-13H,5-10H2,1H
    3,(H2,21,25)(H,22,26);
    GPQKHKQSBRCPLG-UHFFFAOYSA-N    		 COc1cccc(Cl)c1CC(=O)N2C[CH](C[CH](C2)C(=
    O)NC3CC3)C(N)=O; COc1cccc(c1CC(=O)N2C[C@
    @H](C[C@@H](C2)C(=O)NC3CC3)C(=O)N)Cl; CO
    c1cccc(c1CC(=O)N2CC(CC(C2)C(=O)NC3CC3)C(
    =O)N)Cl; COc1cccc(Cl)c1CC(=O)N2C[C@@H](C
    [C@@H](C2)C(=O)NC3CC3)C(N)=O; O=C(Cc1c(O
    C)cccc1Cl)N1CC(CC(C1)C(=O)NC1CC1)C(N)=O    		 (3R,5S)-1-[(2-chloro-6-methoxyphenyl)acetyl]-N~3~-cyclopropylpiperidine-3,5-dicarboxamide
    14406 A1BSL 2 C13 H16 Cl N3 O3 InChI=1S/C13H16ClN3O3/c1-
    20-10-4-2-3-9(14)11(10)16
    -13(19)17-6-5-8(7-17)12(1
    5)18/h2-4,8H,5-7H2,1H3,(H
    2,15,18)(H,16,19)/t8-/m0/
    s1;
    MROSVTPISGFMGH-QMMMGPOBSA-N    		 COc1cccc(c1NC(=O)N2CCC(C2)C(=O)N)Cl; COc
    1cccc(Cl)c1NC(=O)N2CC[C@@H](C2)C(N)=O; C
    Oc1cccc(c1NC(=O)N2CC[C@@H](C2)C(=O)N)Cl;
    COc1cccc(Cl)c1NC(=O)N2CC[CH](C2)C(N)=O;
    O=C(N)C1CCN(C1)C(=O)Nc1c(OC)cccc1Cl    		 (3S)-N~1~-(2-chloro-6-methoxyphenyl)pyrrolidine-1,3-dicarboxamide
    14407 A1BSN 1 C14 H19 N3 O2 InChI=1S/C14H19N3O2/c1-10
    -7-11(4-5-16-10)8-13(18)1
    7-6-2-3-12(9-17)14(15)19/
    h4-5,7,12H,2-3,6,8-9H2,1H
    3,(H2,15,19)/t12-/m0/s1;
    MJQJNTRPVVBPCI-LBPRGKRZSA-N    		 O=C(Cc1ccnc(C)c1)N1CCCC(C1)C(N)=O; Cc1cc
    (ccn1)CC(=O)N2CCCC(C2)C(=O)N; Cc1cc(CC(=
    O)N2CCC[CH](C2)C(N)=O)ccn1; Cc1cc(ccn1)C
    C(=O)N2CCC[C@@H](C2)C(=O)N; Cc1cc(CC(=O)
    N2CCC[C@@H](C2)C(N)=O)ccn1    		 (3S)-1-[(2-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide
    14408 A1BSP 2 C13 H14 N6 O InChI=1S/C13H14N6O/c1-18-
    11-5-3-2-4-10(11)12(17-18
    )13(20)15-6-7-19-9-14-8-1
    6-19/h2-5,8-9H,6-7H2,1H3,
    (H,15,20);
    UIOOLKZMABSWFR-UHFFFAOYSA-N    		 Cn1nc(C(=O)NCCn2cncn2)c2ccccc21; Cn1c2cc
    ccc2c(n1)C(=O)NCCn3cncn3; Cn1nc(C(=O)NCC
    n2cncn2)c3ccccc13    		 1-methyl-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-indazole-3-carboxamide
    14409 A1BSQ 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c1-16
    -11-5-3-2-4-10(11)12(15-1
    6)13(17)14-9-6-7-18-8-9/h
    2-5,9H,6-8H2,1H3,(H,14,17
    )/t9-/m1/s1;
    OUXJTKZWAHXWFL-SECBINFHSA-N    		 Cn1c2ccccc2c(n1)C(=O)N[C@H]3CCOC3; Cn1nc
    (C(=O)N[CH]2CCOC2)c3ccccc13; Cn1nc(C(=O)
    N[C@H]2CCOC2)c3ccccc13; Cn1c2ccccc2c(n1)
    C(=O)NC3CCOC3; O=C(NC1CCOC1)c1nn(C)c2ccc
    cc12    		 1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide
    14410 A1BSR 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c1-16
    -11-5-3-2-4-9(11)12(15-16
    )13(18)14-10-6-8(10)7-17/
    h2-5,8,10,17H,6-7H2,1H3,(
    H,14,18)/t8-,10-/m1/s1;
    KPYFSQUXIWVGBB-PSASIEDQSA-N    		 Cn1nc(C(=O)N[CH]2C[CH]2CO)c3ccccc13; Cn1
    c2ccccc2c(n1)C(=O)NC3CC3CO; OCC1CC1NC(=O
    )c1nn(C)c2ccccc21; Cn1nc(C(=O)N[C@H]2C[C
    @H]2CO)c3ccccc13; Cn1c2ccccc2c(n1)C(=O)N
    [C@H]3C[C@H]3CO    		 N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-1-methyl-1H-indazole-3-carboxamide
    14411 A1BSS 1 C13 H19 N5 O2 InChI=1S/C13H19N5O2/c14-1
    1(19)8-2-1-5-18(7-8)13(20
    )9-3-4-15-12-10(9)6-16-17
    -12/h6,8-9H,1-5,7H2,(H2,1
    4,19)(H2,15,16,17)/t8-,9-
    /m0/s1;
    DUAFBFAQMMCFPO-IUCAKERBSA-N    		 c1c2c([nH]n1)NCC[C@H]2C(=O)N3CCC[C@@H](C
    3)C(=O)N; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2C
    CNc3[nH]ncc23; NC(=O)[C@H]1CCCN(C1)C(=O)
    [C@@H]2CCNc3[nH]ncc23; c1c2c([nH]n1)NCCC
    2C(=O)N3CCCC(C3)C(=O)N; NC(=O)C1CCCN(C1)
    C(=O)C1CCNc2[NH]ncc21    		 (3S)-1-[(4S)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-3-carboxamide
    14412 A1BST 1 C13 H18 N4 O2 InChI=1S/C13H18N4O2/c14-1
    1-6-9(3-4-16-11)7-12(18)1
    7-5-1-2-10(8-17)13(15)19/
    h3-4,6,10H,1-2,5,7-8H2,(H
    2,14,16)(H2,15,19)/t10-/m
    0/s1;
    MKGWZERGGHSXDY-JTQLQIEISA-N    		 c1cnc(cc1CC(=O)N2CCCC(C2)C(=O)N)N; O=C(C
    c1ccnc(N)c1)N1CCCC(C1)C(N)=O; c1cnc(cc1C
    C(=O)N2CCC[C@@H](C2)C(=O)N)N; NC(=O)[CH]
    1CCCN(C1)C(=O)Cc2ccnc(N)c2; NC(=O)[C@H]1
    CCCN(C1)C(=O)Cc2ccnc(N)c2    		 (3S)-1-[(2-aminopyridin-4-yl)acetyl]piperidine-3-carboxamide
    14413 A1BSU 1 C15 H21 N3 O3 S InChI=1S/C15H21N3O3S/c1-2
    1-11-6-3-7-12(22-2)13(11)
    17-15(20)18-8-4-5-10(9-18
    )14(16)19/h3,6-7,10H,4-5,
    8-9H2,1-2H3,(H2,16,19)(H,
    17,20)/t10-/m0/s1;
    UWEZCQKXPKGRPJ-JTQLQIEISA-N    		 COc1cccc(SC)c1NC(=O)N2CCC[CH](C2)C(N)=O;
    O=C(Nc1c(OC)cccc1SC)N1CCCC(C1)C(N)=O; C
    Oc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)SC; COc
    1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)SC;
    COc1cccc(SC)c1NC(=O)N2CCC[C@@H](C2)C(N)=
    O    		 (3S)-N~1~-[2-methoxy-6-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide
    14414 A1BSW 1 C16 H20 N2 O3 InChI=1S/C16H20N2O3/c1-21
    -13-5-3-2-4-11(13)8-14(19
    )18-10-16(15(17)20)7-6-12
    (18)9-16/h2-5,12H,6-10H2,
    1H3,(H2,17,20)/t12-,16+/m
    1/s1;
    SHHPINGYNRIYNK-WBMJQRKESA-N    		 O=C(Cc1ccccc1OC)N1CC2(CCC1C2)C(N)=O; COc
    1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C(=O)N
    ; COc1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C
    (N)=O; COc1ccccc1CC(=O)N2CC3(CCC2C3)C(=O
    )N; COc1ccccc1CC(=O)N2C[C]3(CC[CH]2C3)C(
    N)=O    		 (1R,4S)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptane-4-carboxamide
    14415 A1BSX 1 C14 H15 Cl N4 O2 InChI=1S/C14H15ClN4O2/c15
    -11-3-8(4-12-10(11)5-17-1
    8-12)6-19-7-9(14(16)21)1-
    2-13(19)20/h3-5,9H,1-2,6-
    7H2,(H2,16,21)(H,17,18)/t
    9-/m0/s1;
    BDECSFSJDRQDHY-VIFPVBQESA-N    		 c1c(cc(c2c1n[nH]c2)Cl)CN3C[C@H](CCC3=O)C
    (=O)N; NC(=O)[CH]1CCC(=O)N(C1)Cc2cc(Cl)c
    3c[nH]nc3c2; NC(=O)[C@H]1CCC(=O)N(C1)Cc2
    cc(Cl)c3c[nH]nc3c2; c1c(cc(c2c1n[nH]c2)C
    l)CN3CC(CCC3=O)C(=O)N; NC(=O)C1CCC(=O)N(
    C1)Cc1cc(Cl)c2c[NH]nc2c1    		 (3S)-1-[(4-chloro-2H-indazol-6-yl)methyl]-6-oxopiperidine-3-carboxamide
    14416 A1BSY 1 C15 H18 N4 O3 InChI=1S/C15H18N4O3/c1-22
    -13-5-4-10(8-16)7-12(13)1
    8-15(21)19-6-2-3-11(9-19)
    14(17)20/h4-5,7,11H,2-3,6
    ,9H2,1H3,(H2,17,20)(H,18,
    21)/t11-/m0/s1;
    TYTJRRUJUZJIIU-NSHDSACASA-N    		 COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(N)=O)C
    #N; COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O
    )N)C#N; COc1ccc(cc1NC(=O)N2CCCC(C2)C(=O)
    N)C#N; O=C(Nc1cc(C#N)ccc1OC)N1CCCC(C1)C(
    N)=O; COc1ccc(cc1NC(=O)N2CCC[CH](C2)C(N)
    =O)C#N    		 (3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide
    14417 A1BSZ 1 C14 H18 Br N3 O3 InChI=1S/C14H18BrN3O3/c1-
    21-14-10(5-11(15)7-17-14)
    6-12(19)18-4-2-3-9(8-18)1
    3(16)20/h5,7,9H,2-4,6,8H2
    ,1H3,(H2,16,20)/t9-/m0/s1;
    ZJPNDTHCVMYTGE-VIFPVBQESA-N    		 COc1ncc(Br)cc1CC(=O)N2CCC[C@@H](C2)C(N)=
    O; O=C(Cc1cc(Br)cnc1OC)N1CCCC(C1)C(N)=O;
    COc1ncc(Br)cc1CC(=O)N2CCC[CH](C2)C(N)=O
    ; COc1c(cc(cn1)Br)CC(=O)N2CCCC(C2)C(=O)N
    ; COc1c(cc(cn1)Br)CC(=O)N2CCC[C@@H](C2)C
    (=O)N    		 (3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
    14418 A1BT0 5 C23 H23 N7 O2 InChI=1S/C23H23N7O2/c24-2
    2(20-9-12-31-29-20)27-18-
    6-4-16(5-7-18)8-11-26-15-
    17-2-1-3-19(14-17)28-23(2
    5)21-10-13-32-30-21/h1-7,
    9-10,12-14,26H,8,11,15H2,
    (H2,24,27)(H2,25,28);
    MPOMAHQBFHGXEU-UHFFFAOYSA-N    		 N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)NC(=N)c1cco
    n1)c1ccon1; c1cc(cc(c1)NC(=N)c2ccon2)CNC
    Cc3ccc(cc3)NC(=N)c4ccon4; N=C(Nc1ccc(CCN
    Cc2cccc(NC(=N)c3ccon3)c2)cc1)c4ccon4; [H
    ]/N=C(\c1ccon1)/Nc2ccc(cc2)CCNCc3cccc(c3
    )N/C(=N/[H])/c4ccon4    		 N-[3-({[2-(4-{[(E)-imino(1,2-oxazol-3-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,2-oxazole-3-carboximidamide
    14419 A1BT1 2 C25 H25 N5 O2 InChI=1S/C25H25N5O2/c26-2
    4(20-9-12-31-16-20)29-22-
    6-4-18(5-7-22)8-11-28-15-
    19-2-1-3-23(14-19)30-25(2
    7)21-10-13-32-17-21/h1-7,
    9-10,12-14,16-17,28H,8,11
    ,15H2,(H2,26,29)(H2,27,30
    );
    CEQWSSYRTMNHBN-UHFFFAOYSA-N    		 [H]/N=C(\c1ccoc1)/Nc2ccc(cc2)CCNCc3cccc(
    c3)N/C(=N\[H])/c4ccoc4; c1cc(cc(c1)NC(=N
    )c2ccoc2)CNCCc3ccc(cc3)NC(=N)c4ccoc4; N=
    C(Nc1ccc(CCNCc2cccc(NC(=N)c3cocc3)c2)cc1
    )c4cocc4; N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)N
    C(=N)c1ccoc1)c1ccoc1    		 N-[3-({[2-(4-{[(E)-(furan-3-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-3-carboximidamide
    14420 A1BT2 7 C27 H28 N4 O InChI=1S/C27H28N4O/c28-18
    -24-17-23(21-7-2-1-3-8-21
    )12-11-22(24)13-14-30-19-
    20-6-4-9-25(16-20)31-27(2
    9)26-10-5-15-32-26/h1-12,
    15-17,30H,13-14,18-19,28H
    2,(H2,29,31);
    MTGGJCCMEJXQKQ-UHFFFAOYSA-N    		 NCc1cc(ccc1CCNCc2cccc(NC(=N)c3occc3)c2)c
    4ccccc4; [H]/N=C(\c1ccco1)/Nc2cccc(c2)CN
    CCc3ccc(cc3CN)c4ccccc4; NCc1cc(ccc1CCNCc
    1cc(ccc1)NC(=N)c1ccco1)c1ccccc1; c1ccc(c
    c1)c2ccc(c(c2)CN)CCNCc3cccc(c3)NC(=N)c4c
    cco4    		 N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}furan-2-carboximidamide
    14421 A1BT3 1 C25 H25 N5 O2 InChI=1S/C25H25N5O2/c26-2
    4(20-9-12-31-16-20)29-22-
    6-4-18(5-7-22)8-11-28-15-
    19-2-1-3-23(14-19)30-25(2
    7)21-10-13-32-17-21/h1-7,
    9-10,12-14,16-17,28H,8,11
    ,15H2,(H2,26,29)(H2,27,30
    );
    CEQWSSYRTMNHBN-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=N)c2ccoc2)CNCCc3ccc(cc3)N
    C(=N)c4ccoc4; [H]/N=C(\c1ccoc1)/Nc2ccc(c
    c2)CCNCc3cccc(c3)N/C(=N/[H])/c4ccoc4; N=
    C(Nc1ccc(CCNCc2cccc(NC(=N)c3cocc3)c2)cc1
    )c4cocc4; N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)N
    C(=N)c1ccoc1)c1ccoc1    		 N-[3-({[2-(4-{[(E)-(furan-3-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-3-carboximidamide
    14422 A1BT4 2 C6 H5 F2 N O2 InChI=1S/C6H5F2NO2/c7-6(8
    )11-4-1-2-5(10)9-3-4/h1-3
    ,6H,(H,9,10);
    VRWFXRMPZMWPKH-UHFFFAOYSA-N    		 C1=CC(=O)NC=C1OC(F)F; FC(F)OC1=CNC(=O)C=
    C1; O=C1C=CC(OC(F)F)=CN1    		 5-(difluoromethoxy)pyridin-2(1H)-one
    14423 A1BT5 5 C23 H23 N7 S2 InChI=1S/C23H23N7S2/c24-2
    2(20-12-27-14-31-20)29-18
    -6-4-16(5-7-18)8-9-26-11-
    17-2-1-3-19(10-17)30-23(2
    5)21-13-28-15-32-21/h1-7,
    10,12-15,26H,8-9,11H2,(H2
    ,24,29)(H2,25,30);
    OSSYPEGNXRITFY-UHFFFAOYSA-N    		 [H]/N=C(/c1cncs1)\Nc2ccc(cc2)CCNCc3cccc(
    c3)N/C(=N/[H])/c4cncs4; N=C(Nc1ccc(cc1)C
    CNCc1cc(ccc1)NC(=N)c1cncs1)c1cncs1; c1cc
    (cc(c1)NC(=N)c2cncs2)CNCCc3ccc(cc3)NC(=N
    )c4cncs4; N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3
    scnc3)c2)cc1)c4scnc4    		 N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-5-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-5-carboximidamide
    14424 A1BT6 5 C25 H25 N5 O2 InChI=1S/C25H25N5O2/c26-2
    4(22-9-3-13-31-22)29-20-7
    -1-5-18(15-20)11-12-28-17
    -19-6-2-8-21(16-19)30-25(
    27)23-10-4-14-32-23/h1-10
    ,13-16,28H,11-12,17H2,(H2
    ,26,29)(H2,27,30);
    SNNHAIQQGAXYLV-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=N)c2ccco2)CCNCc3cccc(c3)N
    C(=N)c4ccco4; N=C(Nc1cccc(CCNCc2cccc(NC(
    =N)c3occc3)c2)c1)c4occc4; N=C(Nc1cccc(c1
    )CCNCc1cc(ccc1)NC(=N)c1ccco1)c1ccco1; [H
    ]/N=C(/c1ccco1)\Nc2cccc(c2)CCNCc3cccc(c3
    )N/C(=N/[H])/c4ccco4    		 N-[3-({[2-(3-{[(Z)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide
    14425 A1BT7 0 C10 H17 F N3 O7 P InChI=1S/C10H17FN3O7P/c1-
    10(11)4-14(9(16)13-8(10)1
    2)7-2-5(15)6(21-7)3-20-22
    (17,18)19/h5-7,15H,2-4H2,
    1H3,(H2,12,13,16)(H2,17,1
    8,19)/t5-,6+,7+,10-/m0/s1;
    TYRMCTVFDIPPHW-DHCFDGJBSA-N    		 CC1(CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)
    O)F; C[C@@]1(CN(C(=O)N=C1N)[C@H]2C[C@@H]
    ([C@H](O2)COP(=O)(O)O)O)F; C[C]1(F)CN([C
    H]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=
    C1N; O=P(O)(O)OCC1OC(CC1O)N1CC(C)(F)C(N)
    =NC1=O; C[C@]1(F)CN([C@H]2C[C@H](O)[C@@H
    ](CO[P](O)(O)=O)O2)C(=O)N=C1N    		 2'-deoxy-5-fluoro-5-methyl-5,6-dihydrocytidine 5'-(dihydrogen phosphate)
    14426 A1BT9 5 C27 H28 N4 S InChI=1S/C27H28N4S/c28-18
    -24-17-23(21-7-2-1-3-8-21
    )12-11-22(24)13-14-30-19-
    20-6-4-9-25(16-20)31-27(2
    9)26-10-5-15-32-26/h1-12,
    15-17,30H,13-14,18-19,28H
    2,(H2,29,31);
    KUDFPQMUHWPRNK-UHFFFAOYSA-N    		 NCc1cc(ccc1CCNCc2cccc(NC(=N)c3sccc3)c2)c
    4ccccc4; NCc1cc(ccc1CCNCc1cc(ccc1)NC(=N)
    c1cccs1)c1ccccc1; c1ccc(cc1)c2ccc(c(c2)C
    N)CCNCc3cccc(c3)NC(=N)c4cccs4; [H]/N=C(\
    c1cccs1)/Nc2cccc(c2)CNCCc3ccc(cc3CN)c4cc
    ccc4    		 N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}thiophene-2-carboximidamide
    14427 A1BTB 1 C21 H30 N4 O3 InChI=1S/C21H30N4O3/c1-16
    -7-5-9-18(13-16)25(15-19(
    26)23-10-3-2-4-11-23)21(2
    8)24-12-6-8-17(14-24)20(2
    2)27/h5,7,9,13,17H,2-4,6,
    8,10-12,14-15H2,1H3,(H2,2
    2,27)/t17-/m0/s1;
    WURIVKYKRXTGMF-KRWDZBQOSA-N    		 Cc1cccc(c1)N(CC(=O)N2CCCCC2)C(=O)N3CCC[C
    @@H](C3)C(N)=O; Cc1cccc(c1)N(CC(=O)N2CCC
    CC2)C(=O)N3CCCC(C3)C(=O)N; O=C(N(CC(=O)N
    1CCCCC1)c1cc(C)ccc1)N1CCCC(C1)C(N)=O; Cc
    1cccc(c1)N(CC(=O)N2CCCCC2)C(=O)N3CCC[CH]
    (C3)C(N)=O; Cc1cccc(c1)N(CC(=O)N2CCCCC2)
    C(=O)N3CCC[C@@H](C3)C(=O)N    		 (3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide
    14428 A1BTC 1 C14 H19 N3 O3 InChI=1S/C14H19N3O3/c1-20
    -12-5-3-2-4-10(12)8-13(18
    )17-7-6-16-11(9-17)14(15)
    19/h2-5,11,16H,6-9H2,1H3,
    (H2,15,19)/t11-/m0/s1;
    DRNIUJKTSBJJIK-NSHDSACASA-N    		 COc1ccccc1CC(=O)N2CCNC(C2)C(=O)N; O=C(Cc
    1ccccc1OC)N1CC(NCC1)C(N)=O; COc1ccccc1CC
    (=O)N2CCN[C@@H](C2)C(N)=O; COc1ccccc1CC(
    =O)N2CCN[C@@H](C2)C(=O)N; COc1ccccc1CC(=
    O)N2CCN[CH](C2)C(N)=O    		 (2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide
    14429 A1BTD 1 C13 H16 N2 O3 InChI=1S/C13H16N2O3/c1-18
    -11-5-3-2-4-9(11)7-15-8-1
    0(13(14)17)6-12(15)16/h2-
    5,10H,6-8H2,1H3,(H2,14,17
    )/t10-/m0/s1;
    OROYSOLBVZCRAY-JTQLQIEISA-N    		 COc1ccccc1CN2C[C@H](CC2=O)C(=O)N; COc1cc
    ccc1CN2C[CH](CC2=O)C(N)=O; NC(=O)C1CC(=O
    )N(Cc2ccccc2OC)C1; COc1ccccc1CN2C[C@H](C
    C2=O)C(N)=O; COc1ccccc1CN2CC(CC2=O)C(=O)
    N    		 (3S)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
    14430 A1BTF 1 C16 H16 N2 O2 InChI=1S/C16H16N2O2/c1-10
    -7-8-12(9-13(10)15(17)19)
    16(20)18-14-6-4-3-5-11(14
    )2/h3-9H,1-2H3,(H2,17,19)
    (H,18,20);
    MQPWOZBWSFDFOW-UHFFFAOYSA-N    		 Cc1ccccc1NC(=O)c2ccc(c(c2)C(=O)N)C; Cc1c
    cccc1NC(=O)c2ccc(C)c(c2)C(N)=O; O=C(Nc1c
    cccc1C)c1ccc(C)c(c1)C(N)=O    		 4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide
    14431 A1BTG 2 C16 H22 N2 O4 InChI=1S/C16H22N2O4/c1-21
    -13-8-4-3-7-12(13)14(22-2
    )16(20)18-9-5-6-11(10-18)
    15(17)19/h3-4,7-8,11,14H,
    5-6,9-10H2,1-2H3,(H2,17,1
    9)/t11-,14-/m0/s1;
    SGKREISFYQPEPI-FZMZJTMJSA-N    		 O=C(C(OC)c1ccccc1OC)N1CCCC(C1)C(N)=O; CO
    [C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2cccc
    c2OC; COc1ccccc1C(C(=O)N2CCCC(C2)C(=O)N)
    OC; COc1ccccc1[C@H](C(=O)N2CCC[C@@H](C2)
    C(=O)N)OC; CO[CH](C(=O)N1CCC[CH](C1)C(N)
    =O)c2ccccc2OC    		 (3S)-1-[(2S)-2-methoxy-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide
    14432 A1BTH 1 C13 H16 F N3 O2 InChI=1S/C13H16FN3O2/c14-
    10-5-1-2-6-11(10)16-13(19
    )17-7-3-4-9(8-17)12(15)18
    /h1-2,5-6,9H,3-4,7-8H2,(H
    2,15,18)(H,16,19)/t9-/m0/
    s1;
    SIJSHILCUHKBHW-VIFPVBQESA-N    		 O=C(Nc1ccccc1F)N1CCCC(C1)C(N)=O; NC(=O)[
    CH]1CCCN(C1)C(=O)Nc2ccccc2F; c1ccc(c(c1)
    NC(=O)N2CCC[C@@H](C2)C(=O)N)F; c1ccc(c(c
    1)NC(=O)N2CCCC(C2)C(=O)N)F; NC(=O)[C@H]1
    CCCN(C1)C(=O)Nc2ccccc2F    		 (3S)-N~1~-(2-fluorophenyl)piperidine-1,3-dicarboxamide
    14433 A1BTI 2 C16 H22 N2 O3 InChI=1S/C16H22N2O3/c1-21
    -14-8-3-2-6-12(14)10-15(1
    9)18-9-5-4-7-13(11-18)16(
    17)20/h2-3,6,8,13H,4-5,7,
    9-11H2,1H3,(H2,17,20)/t13
    -/m0/s1;
    WNIBIMVZSUHHEM-ZDUSSCGKSA-N    		 COc1ccccc1CC(=O)N2CCCCC(C2)C(=O)N; COc1c
    cccc1CC(=O)N2CCCC[CH](C2)C(N)=O; COc1ccc
    cc1CC(=O)N2CCCC[C@@H](C2)C(=O)N; O=C(Cc1
    ccccc1OC)N1CCCCC(C1)C(N)=O; COc1ccccc1CC
    (=O)N2CCCC[C@@H](C2)C(N)=O    		 (3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide
    14434 A1BTJ 1 C15 H17 N5 O InChI=1S/C15H17N5O/c1-19-
    9-11(17-10-19)7-8-16-15(2
    1)14-12-5-3-4-6-13(12)20(
    2)18-14/h3-6,9-10H,7-8H2,
    1-2H3,(H,16,21);
    NQHLIPQTOQIZAL-UHFFFAOYSA-N    		 Cn1cnc(CCNC(=O)c2nn(C)c3ccccc23)c1; Cn1c
    c(nc1)CCNC(=O)c1nn(C)c2ccccc21; Cn1cc(nc
    1)CCNC(=O)c2c3ccccc3n(n2)C    		 1-methyl-N-[2-(1-methyl-1H-imidazol-4-yl)ethyl]-1H-indazole-3-carboxamide
    14435 A1BTK 1 C16 H18 N6 O InChI=1S/C16H18N6O/c1-10-
    3-4-12-11(9-18-21(12)2)15
    (10)19-14-6-8-22(20-14)13
    -5-7-17-16(13)23/h3-4,6,8
    -9,13H,5,7H2,1-2H3,(H,17,
    23)(H,19,20);
    IQCXYYIXAUMMTK-UHFFFAOYSA-N    		 Cn1ncc2c(Nc3ccn(n3)[CH]4CCNC4=O)c(C)ccc1
    2; Cc1ccc2c(c1Nc3ccn(n3)[C@H]4CCNC4=O)cn
    n2C; Cn1ncc2c(Nc3ccn(n3)[C@H]4CCNC4=O)c(
    C)ccc12; Cc1ccc2c(c1Nc3ccn(n3)C4CCNC4=O)
    cnn2C; Cc1ccc2n(C)ncc2c1Nc1ccn(n1)C1CCNC
    1=O    		 (3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one
    14436 A1BTM 1 C15 H14 Cl N3 O3 S InChI=1S/C15H14ClN3O3S/c1
    6-11-6-12(23-9-11)8-18-5-
    3-13(20)19(15(18)22)7-10-
    2-1-4-17-14(10)21/h1-2,4,
    6,9H,3,5,7-8H2,(H,17,21);
    CFFQNGKRYYJCIS-UHFFFAOYSA-N    		 Clc1cc(CN2CCC(=O)N(CC3=CC=CNC3=O)C2=O)sc
    1; c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3=
    O)Cl; Clc1csc(CN2CCC(=O)N(CC3=CC=CNC3=O)
    C2=O)c1    		 1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]-1,3-diazinane-2,4-dione
    14437 A1BTN 2 C25 H15 Cl N6 O2 InChI=1S/C25H15ClN6O2/c26
    -17-8-5-7-15(12-17)22-23(
    32-20-11-4-3-10-19(20)29-
    30-32)24(33)31(25(34)28-2
    2)21-14-27-13-16-6-1-2-9-
    18(16)21/h1-14H,(H,28,34);
    ATYIYODGVCBLNF-UHFFFAOYSA-N    		 Clc1cccc(c1)C=1NC(=O)N(c2cncc3ccccc32)C(
    =O)C=1n1nnc2ccccc21; Clc1cccc(c1)C2=C(n3
    nnc4ccccc34)C(=O)N(C(=O)N2)c5cncc6ccccc5
    6; c1ccc2c(c1)cncc2N3C(=O)C(=C(NC3=O)c4c
    ccc(c4)Cl)n5c6ccccc6nn5    		 (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)pyrimidine-2,4(1H,3H)-dione
    14438 A1BTO 1 C28 H17 Cl N6 O2 InChI=1S/C28H17ClN6O2/c1-
    2-14-33-25(18-9-7-10-20(2
    9)15-18)26(35-23-13-6-5-1
    2-22(23)31-32-35)27(36)34
    (28(33)37)24-17-30-16-19-
    8-3-4-11-21(19)24/h1,3-13
    ,15-17H,14H2;
    ZAWYJTRWMXCCSD-UHFFFAOYSA-N    		 C#CCN1C(=C(C(=O)N(C1=O)c2cncc3c2cccc3)n4
    c5ccccc5nn4)c6cccc(c6)Cl; Clc1cccc(c1)C2
    =C(n3nnc4ccccc34)C(=O)N(C(=O)N2CC#C)c5cn
    cc6ccccc56; Clc1cccc(c1)C=1N(CC#C)C(=O)N
    (c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21    		 (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione
    14439 A1BTP 1 C23 H18 N6 O2 InChI=1S/C23H18N6O2/c1-3-
    12-27-15(2)21(29-19-11-7-
    6-10-18(19)25-26-29)22(30
    )28(23(27)31)20-14-24-13-
    16-8-4-5-9-17(16)20/h3-11
    ,13-14H,1,12H2,2H3;
    XABRTHMDLNMZPM-UHFFFAOYSA-N    		 CC=1N(CC=C)C(=O)N(c2cncc3ccccc32)C(=O)C=
    1n1nnc2ccccc21; CC1=C(C(=O)N(C(=O)N1CC=C
    )c2cncc3c2cccc3)n4c5ccccc5nn4; CC1=C(n2n
    nc3ccccc23)C(=O)N(C(=O)N1CC=C)c4cncc5ccc
    cc45    		 (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione;
    (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, bound form
    14440 A1BTR 2 C36 H40 F N8 O14 P2 InChI=1S/C36H39FN8O14P2/c
    37-22-3-1-19(2-4-22)21-9-
    12-44(27(46)13-21)23-5-6-
    24(39-14-23)20-7-10-43(11
    -8-20)35-31(49)29(47)25(5
    7-35)15-55-60(51,52)59-61
    (53,54)56-16-26-30(48)32(
    50)36(58-26)45-18-42-28-3
    3(38)40-17-41-34(28)45/h1
    -8,10-11,14,17-18,21,25-2
    6,29-32,35-36,47-50H,9,12
    -13,15-16H2,(H3-,38,40,41
    ,51,52,53,54)/p+1/t21-,25
    +,26+,29+,30+,31+,32+,35+
    ,36+/m0/s1;
    YXMWUEIFXJCCGP-GWXVEVFSSA-O    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=
    O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@
    H]4O)[n+]5ccc(cc5)c6ccc(cn6)N7CC[C@@H](C
    C7=O)c8ccc(F)cc8)[C@@H](O)[C@H]3O; c1cc(
    ccc1[C@H]2CCN(C(=O)C2)c3ccc(nc3)c4cc[n+]
    (cc4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O
    )(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H]
    (O6)n7cnc8c7ncnc8N)O)O)O)O)F; c1cc(ccc1C
    2CCN(C(=O)C2)c3ccc(nc3)c4cc[n+](cc4)C5C(
    C(C(O5)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n
    7cnc8c7ncnc8N)O)O)O)O)F; Nc1ncnc2n(cnc12
    )[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]4O[CH]([CH](O)[CH]4O)[n+]5ccc(cc5)c6ccc
    (cn6)N7CC[CH](CC7=O)c8ccc(F)cc8)[CH](O)[
    CH]3O; Fc1ccc(cc1)C1CC(=O)N(CC1)c1ccc(nc
    1)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)O
    CC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(4~{S})-4-(4-fluorophenyl)-2-oxidanylidene-piperidin-1-yl]pyridin-2-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    14441 A1BTS 2 C23 H25 Cl F N4 O12 P2 InChI=1S/C23H24ClFN4O12P2
    /c24-14-2-1-13(9-15(14)25
    )17-5-8-29(23(32)40-17)19
    -10-16(26-27-19)12-3-6-28
    (7-4-12)22-21(31)20(30)18
    (39-22)11-38-43(36,37)41-
    42(33,34)35/h1-4,6-7,9-10
    ,17-18,20-22,30-31H,5,8,1
    1H2,(H3,33,34,35,36,37)/p
    +1/t17-,18-,20-,21-,22-/m
    1/s1;
    IMLHYMVLERKGPF-ISMARYCFSA-O    		 c1cc(c(cc1C2CCN(C(=O)O2)c3cc(n[nH]3)c4cc
    [n+](cc4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)O
    )O)O)F)Cl; Clc1ccc(cc1F)C1OC(=O)N(CC1)c1
    cc(n[NH]1)c1cc[n+](cc1)C1OC(COP(=O)(O)OP
    (=O)(O)O)C(O)C1O; O[C@H]1[C@@H](O)[C@@H]
    (O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)[n+]2c
    cc(cc2)c3cc([nH]n3)N4CC[C@@H](OC4=O)c5cc
    c(Cl)c(F)c5; c1cc(c(cc1[C@H]2CCN(C(=O)O2
    )c3cc(n[nH]3)c4cc[n+](cc4)[C@H]5[C@@H]([
    C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)O)O)O)
    F)Cl; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=
    O)O[P](O)(O)=O)[n+]2ccc(cc2)c3cc([nH]n3)
    N4CC[CH](OC4=O)c5ccc(Cl)c(F)c5    		 [(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(6~{R})-6-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanylidene-1,3-oxazinan-3-yl]-1~{H}-pyrazol-3-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
    14442 A1BTU 6 C23 H17 N3 O3 S InChI=1S/C23H17N3O3S/c24-
    15-16-8-9-18-17(14-16)4-3
    -7-19(18)29-21-6-2-1-5-20
    (21)28-13-12-26-11-10-22(
    30)25-23(26)27/h1-11,14H,
    12-13H2,(H,25,27,30);
    MADLNJACUUKLRV-UHFFFAOYSA-N    		 N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1C=CC(=S
    )NC1=O; O=C1NC(=S)C=CN1CCOc2ccccc2Oc3ccc
    c4cc(ccc34)C#N; c1ccc(c(c1)OCCN2C=CC(=S)
    NC2=O)Oc3cccc4c3ccc(c4)C#N    		 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
    14443 A1BTV 5 C23 H23 N7 S2 InChI=1S/C23H23N7S2/c24-2
    0(22-27-10-12-31-22)29-18
    -6-4-16(5-7-18)8-9-26-15-
    17-2-1-3-19(14-17)30-21(2
    5)23-28-11-13-32-23/h1-7,
    10-14,26H,8-9,15H2,(H2,24
    ,29)(H2,25,30);
    PUUAGBWXELPIEB-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=N)c2nccs2)CNCCc3ccc(cc3)N
    C(=N)c4nccs4; N=C(Nc1ccc(CCNCc2cccc(NC(=
    N)c3sccn3)c2)cc1)c4sccn4; [H]/N=C(\c1ncc
    s1)/Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N\[H])
    /c4nccs4; N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)N
    C(=N)c1nccs1)c1nccs1    		 N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-2-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-2-carboximidamide
    14444 A1BTW 5 C26 H27 N5 S InChI=1S/C26H27N5S/c27-15
    -23-14-22(20-6-2-1-3-7-20
    )10-9-21(23)11-12-29-16-1
    9-5-4-8-24(13-19)31-26(28
    )25-17-30-18-32-25/h1-10,
    13-14,17-18,29H,11-12,15-
    16,27H2,(H2,28,31);
    PNPNXQZLXLOQCO-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(c(c2)CN)CCNCc3cccc(c3)NC
    (=N)c4cncs4; [H]/N=C(\c1cncs1)/Nc2cccc(c
    2)CNCCc3ccc(cc3CN)c4ccccc4; NCc1cc(ccc1C
    CNCc1cc(ccc1)NC(=N)c1cncs1)c1ccccc1; NCc
    1cc(ccc1CCNCc2cccc(NC(=N)c3scnc3)c2)c4cc
    ccc4    		 N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}-1,3-thiazole-5-carboximidamide
    14445 A1BTX 5 C23 H23 N7 S2 InChI=1S/C23H23N7S2/c24-2
    2(20-12-27-14-31-20)29-18
    -5-1-3-16(9-18)7-8-26-11-
    17-4-2-6-19(10-17)30-23(2
    5)21-13-28-15-32-21/h1-6,
    9-10,12-15,26H,7-8,11H2,(
    H2,24,29)(H2,25,30);
    SZSIFQHTAHJELX-UHFFFAOYSA-N    		 N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3scnc3)c2)
    c1)c4scnc4; N=C(Nc1cccc(c1)CCNCc1cc(ccc1
    )NC(=N)c1cncs1)c1cncs1; c1cc(cc(c1)NC(=N
    )c2cncs2)CCNCc3cccc(c3)NC(=N)c4cncs4; [H
    ]/N=C(/c1cncs1)\Nc2cccc(c2)CCNCc3cccc(c3
    )N/C(=N/[H])/c4cncs4    		 N-[3-({[2-(3-{[(Z)-imino(1,3-thiazol-5-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-5-carboximidamide
    14446 A1BTY 11 C25 H25 N5 O2 InChI=1S/C25H25N5O2/c26-2
    4(22-6-2-14-31-22)29-20-1
    0-8-18(9-11-20)12-13-28-1
    7-19-4-1-5-21(16-19)30-25
    (27)23-7-3-15-32-23/h1-11
    ,14-16,28H,12-13,17H2,(H2
    ,26,29)(H2,27,30);
    GNFGEHHGBYVPGG-UHFFFAOYSA-N    		 N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)NC(=N)c1ccc
    o1)c1ccco1; N=C(Nc1ccc(CCNCc2cccc(NC(=N)
    c3occc3)c2)cc1)c4occc4; c1cc(cc(c1)NC(=N
    )c2ccco2)CNCCc3ccc(cc3)NC(=N)c4ccco4; [H
    ]/N=C(\c1ccco1)/Nc2ccc(cc2)CCNCc3cccc(c3
    )N/C(=N/[H])/c4ccco4    		 N-[3-({[2-(4-{[(E)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide
    14447 A1BTZ 0 C4 H10 N O5 P InChI=1S/C4H10NO5P/c5-4(1
    -6)2-9-11(7,8)10-3-4/h6H,
    1-3,5H2,(H,7,8);
    GYRKLTGURDVUJC-UHFFFAOYSA-N    		 NC1(CO)CO[P](O)(=O)OC1; C1C(COP(=O)(O1)O
    )(CO)N; NC1(COP(=O)(O)OC1)CO    		 (2r,5r)-5-amino-2-hydroxy-5-(hydroxymethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one
    14448 A1BU0 3 C18 H13 F N2 O3 InChI=1S/C18H13FN2O3/c19-
    13-7-5-12(6-8-13)17(22)15
    -3-1-2-4-16(15)18(23)20-9
    -14-10-24-11-21-14/h1-8,1
    0-11H,9H2,(H,20,23);
    QTDCKWIZIKSRCI-UHFFFAOYSA-N    		 Fc1ccc(cc1)C(=O)c2ccccc2C(=O)NCc3cocn3;
    c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NCc3coc
    n3; O=C(NCc1cocn1)c1ccccc1C(=O)c1ccc(F)c
    c1    		 2-(4-fluorobenzoyl)-N-[(1,3-oxazol-4-yl)methyl]benzamide
    14449 A1BU1 1 C20 H19 F O5 InChI=1S/C20H19FO5/c21-15
    -7-5-14(6-8-15)19(23)17-3
    -1-2-4-18(17)20(24)26-12-
    16-9-13(10-22)11-25-16/h1
    -8,13,16,22H,9-12H2/t13-,
    16+/m1/s1;
    QZNGZKSNLLXUDP-CJNGLKHVSA-N    		 c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OC[C@@H
    ]3C[C@@H](CO3)CO; OCC1CC(COC(=O)c2ccccc2
    C(=O)c2ccc(F)cc2)OC1; OC[C@@H]1CO[C@H](C
    OC(=O)c2ccccc2C(=O)c3ccc(F)cc3)C1; c1ccc
    (c(c1)C(=O)c2ccc(cc2)F)C(=O)OCC3CC(CO3)C
    O; OC[CH]1CO[CH](COC(=O)c2ccccc2C(=O)c3c
    cc(F)cc3)C1    		 1,4-anhydro-2,3-dideoxy-5-O-[2-(4-fluorobenzoyl)benzoyl]-2-(hydroxymethyl)-D-threo-pentitol
    14450 A1BU2 2 C19 H21 F N2 O2 InChI=1S/C19H21FN2O2/c1-2
    -21-12-5-13-22-19(24)17-7
    -4-3-6-16(17)18(23)14-8-1
    0-15(20)11-9-14/h3-4,6-11
    ,21H,2,5,12-13H2,1H3,(H,2
    2,24);
    NSKBJHORKWYVKJ-UHFFFAOYSA-N    		 CCNCCCNC(=O)c1ccccc1C(=O)c2ccc(F)cc2; O=
    C(c1ccc(F)cc1)c1ccccc1C(=O)NCCCNCC; CCNC
    CCNC(=O)c1ccccc1C(=O)c2ccc(cc2)F    		 N-[3-(ethylamino)propyl]-2-(4-fluorobenzoyl)benzamide
    14451 A1BU3 5 C21 H22 F N3 O InChI=1S/C21H22FN3O/c1-12
    -6-21(24)25-19-9-17(18(22
    )8-16(12)19)14-4-5-20(15(
    7-14)10-23)26-11-13-2-3-1
    3/h4-9,13H,2-3,10-11,23H2
    ,1H3,(H2,24,25);
    RZKMSTBKXJRLJH-UHFFFAOYSA-N    		 Cc1cc(nc2c1cc(c(c2)c3ccc(c(c3)CN)OCC4CC4
    )F)N; Cc1cc(N)nc2cc(c(F)cc12)c3ccc(OCC4C
    C4)c(CN)c3; NCc1cc(ccc1OCC1CC1)c1cc2nc(N
    )cc(C)c2cc1F    		 (7P)-7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-6-fluoro-4-methylquinolin-2-amine
    14452 A1BU4 2 C15 H19 N O2 InChI=1S/C15H19NO2/c1-15(
    2,3)14(17)16-9-10-8-12(16
    )11-6-4-5-7-13(11)18-10/h
    4-7,10,12H,8-9H2,1-3H3/t1
    0-,12-/m0/s1;
    LZCKPUWPOIYQKP-JQWIXIFHSA-N    		 CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1c3ccccc3O2
    ; CC(C)(C)C(=O)N1CC2CC1c3ccccc3O2; CC(C)
    (C)C(=O)N1CC2CC1c1ccccc1O2; CC(C)(C)C(=O
    )N1C[CH]2C[CH]1c3ccccc3O2    		 1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-2,2-dimethylpropan-1-one
    14453 A1BU5 2 C15 H15 F2 N3 O2 InChI=1S/C15H15F2N3O2/c1-
    15(2,13(16)17)14(21)20-7-
    9-3-11(20)10-6-19-5-8(4-1
    8)12(10)22-9/h5-6,9,11,13
    H,3,7H2,1-2H3/t9-,11-/m0/
    s1;
    SZIVRWFIJWGRAP-ONGXEEELSA-N    		 CC(C)(C(F)F)C(=O)N1C[C@@H]2C[C@H]1c3cncc
    (c3O2)C#N; CC(C)(C(F)F)C(=O)N1C[C@@H]2C[
    C@H]1c3cncc(C#N)c3O2; FC(F)C(C)(C)C(=O)N
    1CC2CC1c1cncc(C#N)c1O2; CC(C)(C(F)F)C(=O
    )N1CC2CC1c3cncc(c3O2)C#N; CC(C)(C(F)F)C(
    =O)N1C[CH]2C[CH]1c3cncc(C#N)c3O2    		 (2S,5S)-4-(3,3-difluoro-2,2-dimethylpropanoyl)-2,3,4,5-tetrahydro-2,5-methanopyrido[3,4-f][1,4]oxazepine-9-carbonitrile
    14454 A1BU6 2 C15 H17 F2 N O2 InChI=1S/C15H17F2NO2/c1-1
    5(2,13(16)17)14(19)18-8-9
    -7-11(18)10-5-3-4-6-12(10
    )20-9/h3-6,9,11,13H,7-8H2
    ,1-2H3/t9-,11-/m0/s1;
    ZVQGTLXCDJQCBC-ONGXEEELSA-N    		 FC(F)C(C)(C)C(=O)N1CC2CC1c1ccccc1O2; CC(
    C)(C(F)F)C(=O)N1CC2CC1c3ccccc3O2; CC(C)(
    C(F)F)C(=O)N1C[C@@H]2C[C@H]1c3ccccc3O2;
    CC(C)(C(F)F)C(=O)N1C[CH]2C[CH]1c3ccccc3O
    2    		 1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-3,3-difluoro-2,2-dimethylpropan-1-one
    14455 A1BU7 2 C36 H42 Cl F N7 O14 P2 InChI=1S/C36H41ClFN7O14P2
    /c37-21-2-1-18(9-22(21)38
    )19-3-8-45(25(46)10-19)36
    -13-35(14-36,15-36)20-4-6
    -43(7-5-20)33-29(49)27(47
    )23(57-33)11-55-60(51,52)
    59-61(53,54)56-12-24-28(4
    8)30(50)34(58-24)44-17-42
    -26-31(39)40-16-41-32(26)
    44/h1-2,4-7,9,16-17,19,23
    -24,27-30,33-34,47-50H,3,
    8,10-15H2,(H3-,39,40,41,5
    1,52,53,54)/p+1/t19-,23+,
    24+,27+,28+,29+,30+,33+,3
    4+,35-,36+/m0/s1;
    MOFVGPYVZJGLNR-PXGPZXLQSA-O    		 c1cc(c(cc1C2CCN(C(=O)C2)C34CC(C3)(C4)c5c
    c[n+](cc5)C6C(C(C(O6)COP(=O)(O)OP(=O)(O)
    OCC7C(C(C(O7)n8cnc9c8ncnc9N)O)O)O)O)F)Cl
    ; Clc1ccc(cc1F)C1CC(=O)N(CC1)C12CC(C1)(C
    2)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)O
    CC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O;
    c1cc(c(cc1[C@H]2CCN(C(=O)C2)C34CC(C3)(C4
    )c5cc[n+](cc5)[C@H]6[C@@H]([C@@H]([C@H](
    O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@
    H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)F)Cl
    ; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)
    (=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C
    @@H]4O)[n+]5ccc(cc5)C67CC(C6)(C7)N8CC[C@
    @H](CC8=O)c9ccc(Cl)c(F)c9)[C@@H](O)[C@H]
    3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(
    =O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O
    )[n+]5ccc(cc5)C67CC(C6)(C7)N8CC[CH](CC8=
    O)c9ccc(Cl)c(F)c9)[CH](O)[CH]3O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[3-[(4~{S})-4-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanylidene-piperidin-1-yl]-1-bicyclo[1.1.1]pentanyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    14456 A1BU8 1 C14 H17 N5 InChI=1S/C14H17N5/c1-18-6
    -8-19(9-7-18)14-10-13(11-
    16-17-14)12-2-4-15-5-3-12
    /h2-5,10-11H,6-9H2,1H3;
    ABRBOSKOXBQLEU-UHFFFAOYSA-N    		 CN1CCN(CC1)c1nncc(c1)c1ccncc1; CN1CCN(CC
    1)c2cc(cnn2)c3ccncc3    		 3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine
    14457 A1BU9
    CHEMBL4759626    		 2 C25 H25 N3 O5 S InChI=1S/C25H25N3O5S/c1-3
    1-18-4-5-20-19(11-18)15(8
    -9-26-20)3-7-24-32-12-17(
    13-33-24)27-25(30)16-2-6-
    22-21(10-16)28-23(29)14-3
    4-22/h2,4-6,8-11,17,24H,3
    ,7,12-14H2,1H3,(H,27,30)(
    H,28,29)/t17-,24?;
    RXPOVSSVBGRCOL-MQPWLDEHSA-N    		 COc1ccc2nccc(CC[C@@H]3OC[C@H](CO3)NC(=O)
    c4ccc5SCC(=O)Nc5c4)c2c1; COc1ccc2nccc(CC
    [CH]3OC[CH](CO3)NC(=O)c4ccc5SCC(=O)Nc5c4
    )c2c1; COc1cc2c(cc1)nccc2CCC1OCC(CO1)NC(
    =O)c1ccc2SCC(=O)Nc2c1; COc1ccc2c(c1)c(cc
    n2)CCC3OCC(CO3)NC(=O)c4ccc5c(c4)NC(=O)CS
    5    		 N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
    14458 A1BUA
    CHEMBL1374001    		 2 C14 H20 N2 O2 InChI=1S/C14H20N2O2/c1-10
    -13(11(2)18-16-10)14(17)1
    5-9-8-12-6-4-3-5-7-12/h6H
    ,3-5,7-9H2,1-2H3,(H,15,17
    );
    CDMDKICUIFSGRO-UHFFFAOYSA-N    		 Cc1onc(C)c1C(=O)NCCC2=CCCCC2; Cc1c(c(on1
    )C)C(=O)NCCC2=CCCCC2; Cc1onc(C)c1C(=O)NC
    CC1=CCCCC1    		 N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
    14459 A1BUB
    CHEMBL1650625    		 2 C8 H8 O3 InChI=1S/C8H8O3/c1-5-2-3-
    6(8(10)11)7(9)4-5/h2-4,9H
    ,1H3,(H,10,11);
    NJESAXZANHETJV-UHFFFAOYSA-N    		 Cc1ccc(c(c1)O)C(=O)O; OC(=O)c1ccc(C)cc1O
    ; Cc1ccc(C(O)=O)c(O)c1    		 2-hydroxy-4-methylbenzoic acid;
    4-methyl salicylic acid
    14460 A1BUC 6 C56 H68 Cl F2 N15 O7 InChI=1S/C56H68ClF2N15O7/
    c1-60-47(75)32-81-46-25-3
    5-23-37(26-45(80-5)49(35)
    69(4)54(46)78)65-51-42(57
    )29-63-55(66-51)71-18-11-
    33(12-19-71)53(77)62-16-7
    -6-10-48(76)70-20-13-38(1
    4-21-70)74-43-15-22-72(56
    (79)61-2)31-41(43)52(67-7
    4)73-17-8-9-34-24-39(36-2
    8-64-68(3)30-36)40(50(58)
    59)27-44(34)73/h23-30,33,
    38,50H,6-22,31-32H2,1-5H3
    ,(H,60,75)(H,61,79)(H,62,
    77)(H,63,65,66);
    GWSPREFNOSPUJZ-UHFFFAOYSA-N    		 CNC(=O)COC1=Cc2cc(cc(c2N(C1=O)C)OC)Nc3c(
    cnc(n3)N4CCC(CC4)C(=O)NCCCCC(=O)N5CCC(CC
    5)n6c7c(c(n6)N8CCCc9c8cc(c(c9)c1cnn(c1)C
    )C(F)F)CN(CC7)C(=O)NC)Cl; CNC(=O)COC1=Cc
    2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC(
    CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(C
    Cc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21
    )C(F)F; CNC(=O)COC1=Cc2cc(Nc3nc(ncc3Cl)N
    4CCC(CC4)C(=O)NCCCCC(=O)N5CCC(CC5)n6nc(N
    7CCCc8cc(c9cnn(C)c9)c(cc78)C(F)F)c%10CN(
    CCc6%10)C(=O)NC)cc(OC)c2N(C)C1=O    		 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
    14461 A1BUD 9 C17 H16 F N3 InChI=1S/C17H16FN3/c1-10-
    5-17(20)21-16-8-14(15(18)
    7-13(10)16)12-4-2-3-11(6-
    12)9-19/h2-8H,9,19H2,1H3,
    (H2,20,21);
    OGRNQPGTGYGULL-UHFFFAOYSA-N    		 NCc1cccc(c1)c1cc2nc(N)cc(C)c2cc1F; Cc1cc
    (nc2c1cc(c(c2)c3cccc(c3)CN)F)N; Cc1cc(N)
    nc2cc(c(F)cc12)c3cccc(CN)c3    		 (7P)-7-[3-(aminomethyl)phenyl]-6-fluoro-4-methylquinolin-2-amine
    14462 A1BUF 9 C17 H16 F N3 O InChI=1S/C17H16FN3O/c1-9-
    4-17(20)21-15-7-13(14(18)
    6-12(9)15)11-3-2-10(8-19)
    5-16(11)22/h2-7,22H,8,19H
    2,1H3,(H2,20,21);
    HSYNPKNGWVSVIB-UHFFFAOYSA-N    		 Cc1cc(nc2c1cc(c(c2)c3ccc(cc3O)CN)F)N; Cc
    1cc(N)nc2cc(c(F)cc12)c3ccc(CN)cc3O; NCc1
    ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1    		 (2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol
    14463 A1BUG 2 C20 H18 O2 InChI=1S/C20H18O2/c1-20(1
    5-5-3-2-4-6-15,16-7-11-18
    (21)12-8-16)17-9-13-19(22
    )14-10-17/h2-14,21-22H,1H
    3;
    VOWWYDCFAISREI-UHFFFAOYSA-N    		 CC(c1ccccc1)(c2ccc(O)cc2)c3ccc(O)cc3; CC
    (c1ccc(O)cc1)(c1ccccc1)c1ccc(O)cc1; CC(c
    1ccccc1)(c2ccc(cc2)O)c3ccc(cc3)O    		 4,4'-(1-phenylethane-1,1-diyl)diphenol
    14464 A1BUH 9 C18 H18 F N3 O InChI=1S/C18H18FN3O/c1-10
    -6-18(21)22-16-9-14(15(19
    )8-13(10)16)12-3-2-11(4-5
    -20)7-17(12)23/h2-3,6-9,2
    3H,4-5,20H2,1H3,(H2,21,22
    );
    VJYLZSYPPRLAQO-UHFFFAOYSA-N    		 Cc1cc(nc2c1cc(c(c2)c3ccc(cc3O)CCN)F)N; C
    c1cc(N)nc2cc(c(F)cc12)c3ccc(CCN)cc3O; NC
    Cc1ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1    		 (2M)-5-(2-aminoethyl)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)phenol
    14465 A1BUJ
    CHEMBL2386372    		 1 C26 H18 Br N3 O6 InChI=1S/C26H18BrN3O6/c1-
    28-21-19(24(31)29(2)26(28
    )34)20(13-6-4-3-5-7-13)30
    -15-12-14(25(32)33)8-9-16
    (15)36-23(22(21)30)17-10-
    11-18(27)35-17/h3-12,23H,
    1-2H3,(H,32,33)/t23-/m0/s
    1;
    GNHIGSRGYXEQEP-QHCPKHFHSA-N    		 CN1C(=O)N(C)c2c3[CH](Oc4ccc(cc4n3c(c5ccc
    cc5)c2C1=O)C(O)=O)c6oc(Br)cc6; CN1C(=O)N
    (C)c2c3[C@@H](Oc4ccc(cc4n3c(c5ccccc5)c2C
    1=O)C(O)=O)c6oc(Br)cc6; CN1c2c(c(n-3c2C(
    Oc4c3cc(cc4)C(=O)O)c5ccc(o5)Br)c6ccccc6)
    C(=O)N(C1=O)C; CN1c2c(c(n-3c2[C@@H](Oc4c
    3cc(cc4)C(=O)O)c5ccc(o5)Br)c6ccccc6)C(=O
    )N(C1=O)C; Brc1ccc(o1)C1Oc2ccc(cc2n2c(c3
    ccccc3)c3C(=O)N(C)C(=O)N(C)c3c12)C(=O)O    		 (6R,12R)-6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid
    14466 A1BUL 6 C39 H34 Cl F8 N7 O5 S2 InChI=1S/C39H34ClF8N7O5S2
    /c1-36(2,61(3,57)58)15-14
    -21-10-11-22(23-12-13-26(
    40)30-32(23)55(19-37(41,4
    2)43)52-35(30)53-62(4,59)
    60)31(49-21)27(16-20-8-6-
    5-7-9-20)50-28(56)18-54-3
    4-29(33(51-54)39(46,47)48
    )24-17-25(24)38(34,44)45/
    h5-13,24-25,27H,16-19H2,1
    -4H3,(H,50,56)(H,52,53)/t
    24-,25+,27-/m0/s1;
    VWUUKSNKCUTDKK-WEWMWRJBSA-N    		 CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2ccccc2)NC(=
    O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F
    )F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)
    Cl)S(=O)(=O)C; CC(C)(C#Cc1ccc(c(n1)[CH](
    Cc2ccccc2)NC(=O)Cn3nc(c4[CH]5C[CH]5C(F)(
    F)c34)C(F)(F)F)c6ccc(Cl)c7c(N[S](C)(=O)=
    O)nn(CC(F)(F)F)c67)[S](C)(=O)=O; CC(C)(C
    #Cc1ccc(c(n1)C(Cc2ccccc2)NC(=O)Cn3c4c(c(
    n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c7c6n(nc7N
    S(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C; CC(C
    )(C#Cc1ccc(c(n1)[C@H](Cc2ccccc2)NC(=O)Cn
    3nc(c4[C@H]5C[C@H]5C(F)(F)c34)C(F)(F)F)c
    6ccc(Cl)c7c(N[S](C)(=O)=O)nn(CC(F)(F)F)c
    67)[S](C)(=O)=O; CS(=O)(=O)Nc1nn(CC(F)(F
    )F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O)
    =O)nc1C(Cc1ccccc1)NC(=O)Cn1nc(c2c1C(F)(F
    )C1CC12)C(F)(F)F    		 N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
    14467 A1BUN 1 C19 H29 N3 O7 InChI=1S/C19H29N3O7/c1-19
    (2,11-23)16(25)17(26)22-7
    -6-15(24)21-8-9-29-18(27)
    12-4-5-13(20)14(10-12)28-
    3/h4-5,10,16,23,25H,6-9,1
    1,20H2,1-3H3,(H,21,24)(H,
    22,26)/t16-/m0/s1;
    CNWHTSRGHLDURV-INIZCTEOSA-N    		 COc1cc(ccc1N)C(=O)OCCNC(=O)CCNC(=O)[CH](
    O)C(C)(C)CO; Nc1ccc(cc1OC)C(=O)OCCNC(=O)
    CCNC(=O)C(O)C(C)(C)CO; CC(C)(CO)C(C(=O)N
    CCC(=O)NCCOC(=O)c1ccc(c(c1)OC)N)O; CC(C)
    (CO)[C@H](C(=O)NCCC(=O)NCCOC(=O)c1ccc(c(
    c1)OC)N)O; COc1cc(ccc1N)C(=O)OCCNC(=O)CC
    NC(=O)[C@H](O)C(C)(C)CO    		 2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl 4-amino-3-methoxybenzoate
    14468 A1BUO 2 C19 H20 N6 O S InChI=1S/C19H20N6OS/c1-11
    -18(12(2)25-24-11)15-6-8-
    17(23-19(26)13(3)20-4)22-
    16(15)7-5-14-9-21-10-27-1
    4/h6,8-10,13,20H,1-4H3,(H
    ,24,25)(H,22,23,26)/t13-/
    m1/s1;
    CFMRAVJLNISPJP-CYBMUJFWSA-N    		 Cc1c(c(n[nH]1)C)c2ccc(nc2C#Cc3cncs3)NC(=
    O)[C@H](C)NC; CC(NC)C(=O)Nc1nc(C#Cc2cncs
    2)c(cc1)c1c(C)[NH]nc1C; CN[C@@H](C)C(=O)
    Nc1ccc(c(n1)C#Cc2scnc2)c3c(C)[nH]nc3C; C
    N[CH](C)C(=O)Nc1ccc(c(n1)C#Cc2scnc2)c3c(
    C)[nH]nc3C; Cc1c(c(n[nH]1)C)c2ccc(nc2C#C
    c3cncs3)NC(=O)C(C)NC    		 N-{(5M)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-N~2~-methyl-L-alaninamide
    14469 A1BUP 1 C20 H31 N3 O7 InChI=1S/C20H31N3O7/c1-4-
    29-15-11-13(5-6-14(15)21)
    19(28)30-10-9-22-16(25)7-
    8-23-18(27)17(26)20(2,3)1
    2-24/h5-6,11,17,24,26H,4,
    7-10,12,21H2,1-3H3,(H,22,
    25)(H,23,27)/t17-/m0/s1;
    OCQYDVBBQAPQRP-KRWDZBQOSA-N    		 CCOc1cc(ccc1N)C(=O)OCCNC(=O)CCNC(=O)C(C(
    C)(C)CO)O; CCOc1cc(ccc1N)C(=O)OCCNC(=O)C
    CNC(=O)[C@H](O)C(C)(C)CO; CCOc1cc(ccc1N)
    C(=O)OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO; CCO
    c1cc(ccc1N)C(=O)OCCNC(=O)CCNC(=O)[C@@H](
    C(C)(C)CO)O; CCOc1cc(ccc1N)C(=O)OCCNC(=O
    )CCNC(=O)[CH](O)C(C)(C)CO    		 2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl 4-amino-3-ethoxybenzoate
    14470 A1BUQ 6 C9 H6 Cl N O2 InChI=1S/C9H6ClNO2/c10-5-
    1-2-6-7(9(12)13)4-11-8(6)
    3-5/h1-4,11H,(H,12,13);
    WHQHEMBHJZAHSB-UHFFFAOYSA-N    		 c1cc2c(cc1Cl)[nH]cc2C(=O)O; O=C(O)c1c[NH
    ]c2cc(Cl)ccc21; OC(=O)c1c[nH]c2cc(Cl)ccc
    12    		 6-chloro-1H-indole-3-carboxylic acid
    14471 A1BUR 2 C10 H12 N2 O3 S InChI=1S/C10H12N2O3S/c1-1
    6(14,15)10-11-8-4-2-3-5-9
    (8)12(10)6-7-13/h2-5,13H,
    6-7H2,1H3;
    QRLLHFOSHXFKSX-UHFFFAOYSA-N    		 C[S](=O)(=O)c1nc2ccccc2n1CCO; CS(=O)(=O)
    c1nc2ccccc2n1CCO    		 2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol
    14472 A1BUS 1 C20 H19 F O4 InChI=1S/C20H19FO4/c1-13-
    15(10-11-24-13)12-25-20(2
    3)18-5-3-2-4-17(18)19(22)
    14-6-8-16(21)9-7-14/h2-9,
    13,15H,10-12H2,1H3/t13-,1
    5+/m1/s1;
    POWQEKMIKMMKCE-HIFRSBDPSA-N    		 C[C@@H]1[C@@H](CCO1)COC(=O)c2ccccc2C(=O)
    c3ccc(cc3)F; C[C@H]1OCC[C@H]1COC(=O)c2cc
    ccc2C(=O)c3ccc(F)cc3; C[CH]1OCC[CH]1COC(
    =O)c2ccccc2C(=O)c3ccc(F)cc3; CC1C(CCO1)C
    OC(=O)c2ccccc2C(=O)c3ccc(cc3)F; O=C(OCC1
    CCOC1C)c1ccccc1C(=O)c1ccc(F)cc1    		 [(2R,3S)-2-methyloxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
    14473 A1BUT 2 C15 H19 N O4 InChI=1S/C15H19NO4/c1-20-
    15(19)13-4-2-3-9-16(13)14
    (18)12-7-5-11(10-17)6-8-1
    2/h5-8,13,17H,2-4,9-10H2,
    1H3/t13-/m1/s1;
    ORTMTMCIWFVMDT-CYBMUJFWSA-N    		 COC(=O)[C@H]1CCCCN1C(=O)c2ccc(CO)cc2; O=
    C(c1ccc(CO)cc1)N1CCCCC1C(=O)OC; COC(=O)C
    1CCCCN1C(=O)c2ccc(cc2)CO; COC(=O)[C@H]1C
    CCCN1C(=O)c2ccc(cc2)CO; COC(=O)[CH]1CCCC
    N1C(=O)c2ccc(CO)cc2    		 methyl (2R)-1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
    14474 A1BUU 1 C15 H11 F O3 InChI=1S/C15H11FO3/c1-19-
    15(18)13-5-3-2-4-12(13)14
    (17)10-6-8-11(16)9-7-10/h
    2-9H,1H3;
    XVIFFHRWAZWIKN-UHFFFAOYSA-N    		 COC(=O)c1ccccc1C(=O)c2ccc(F)cc2; COC(=O)
    c1ccccc1C(=O)c2ccc(cc2)F; O=C(c1ccc(F)cc
    1)c1ccccc1C(=O)OC    		 methyl 2-(4-fluorobenzoyl)benzoate
    14475 A1BUV 1 C20 H19 F O4 InChI=1S/C20H19FO4/c21-16
    -9-7-15(8-10-16)19(22)17-
    5-1-2-6-18(17)20(23)25-13
    -14-4-3-11-24-12-14/h1-2,
    5-10,14H,3-4,11-13H2/t14-
    /m0/s1;
    CWEAJQKGFNSNKU-AWEZNQCLSA-N    		 Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[CH]3CCCO
    C3; Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[C@H]
    3CCCOC3; Fc1ccc(cc1)C(=O)c1ccccc1C(=O)OC
    C1CCCOC1; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(
    =O)OC[C@H]3CCCOC3; c1ccc(c(c1)C(=O)c2ccc
    (cc2)F)C(=O)OCC3CCCOC3    		 [(3S)-oxan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
    14476 A1BUW 1 C19 H17 F O4 InChI=1S/C19H17FO4/c20-15
    -7-5-14(6-8-15)18(21)16-3
    -1-2-4-17(16)19(22)24-12-
    13-9-10-23-11-13/h1-8,13H
    ,9-12H2/t13-/m0/s1;
    XQKFWRREXIJMHV-ZDUSSCGKSA-N    		 Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[C@H]3CCO
    C3; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OC[
    C@H]3CCOC3; c1ccc(c(c1)C(=O)c2ccc(cc2)F)
    C(=O)OCC3CCOC3; Fc1ccc(cc1)C(=O)c2ccccc2
    C(=O)OC[CH]3CCOC3; O=C(OCC1CCOC1)c1ccccc
    1C(=O)c1ccc(F)cc1    		 [(3S)-oxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
    14477 A1BUX 1 C17 H21 N O4 InChI=1S/C17H21NO4/c19-16
    (13-6-2-1-3-7-13)18-10-5-
    4-8-15(18)17(20)22-14-9-1
    1-21-12-14/h1-3,6-7,14-15
    H,4-5,8-12H2/t14-,15-/m1/
    s1;
    VDKXVYGHWLJSQC-HUUCEWRRSA-N    		 O=C(OC1CCOC1)C1CCCCN1C(=O)c1ccccc1; O=C(
    O[C@@H]1CCOC1)[C@H]2CCCCN2C(=O)c3ccccc3;
    c1ccc(cc1)C(=O)N2CCCCC2C(=O)OC3CCOC3; c
    1ccc(cc1)C(=O)N2CCCC[C@@H]2C(=O)O[C@@H]3
    CCOC3; O=C(O[CH]1CCOC1)[CH]2CCCCN2C(=O)c
    3ccccc3    		 (3R)-oxolan-3-yl (2R)-1-benzoylpiperidine-2-carboxylate
    14478 A1BUY 1 C18 H16 F N O3 InChI=1S/C18H16FNO3/c19-1
    3-7-5-12(6-8-13)17(21)15-
    3-1-2-4-16(15)18(22)20-14
    -9-10-23-11-14/h1-8,14H,9
    -11H2,(H,20,22)/t14-/m0/s
    1;
    XRPFMKQNIDENOJ-AWEZNQCLSA-N    		 O=C(NC1CCOC1)c1ccccc1C(=O)c1ccc(F)cc1; F
    c1ccc(cc1)C(=O)c2ccccc2C(=O)N[C@H]3CCOC3
    ; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NC3CC
    OC3; Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N[CH]3
    CCOC3; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)
    N[C@H]3CCOC3    		 2-(4-fluorobenzoyl)-N-[(3S)-oxolan-3-yl]benzamide
    14479 A1BUZ 1 C18 H16 F N O2 InChI=1S/C18H16FNO2/c19-1
    4-9-7-13(8-10-14)17(21)15
    -5-1-2-6-16(15)18(22)20-1
    1-3-4-12-20/h1-2,5-10H,3-
    4,11-12H2;
    CGIOLKUBBYIIIE-UHFFFAOYSA-N    		 Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N3CCCC3; O=
    C(c1ccccc1C(=O)c1ccc(F)cc1)N1CCCC1; c1cc
    c(c(c1)C(=O)c2ccc(cc2)F)C(=O)N3CCCC3    		 [2-(4-fluorobenzoyl)phenyl](pyrrolidin-1-yl)methanone
    14480 A1BV0 2 C28 H36 N6 O2 S InChI=1S/C28H36N6O2S/c1-4
    -18-13-21(15-30-25(18)29)
    31-26(35)28(36)34-16-17(2
    )5-7-23(34)20-6-8-24-22(1
    4-20)32-27(37-24)19-9-11-
    33(3)12-10-19/h6,8,13-15,
    17,19,23H,4-5,7,9-12,16H2
    ,1-3H3,(H2,29,30)(H,31,35
    )/t17-,23+/m0/s1;
    DHAGMIPSRSPWSH-GAJHUEQPSA-N    		 CCc1cc(cnc1N)NC(=O)C(=O)N2C[C@H](CC[C@@H
    ]2c3ccc4c(c3)nc(s4)C5CCN(CC5)C)C; CCc1cc
    (NC(=O)C(=O)N2C[CH](C)CC[CH]2c3ccc4sc(nc
    4c3)C5CCN(C)CC5)cnc1N; CCc1cc(NC(=O)C(=O
    )N2C[C@@H](C)CC[C@@H]2c3ccc4sc(nc4c3)C5C
    CN(C)CC5)cnc1N; CCc1cc(cnc1N)NC(=O)C(=O)
    N1CC(C)CCC1c1cc2nc(sc2cc1)C1CCN(C)CC1; C
    Cc1cc(cnc1N)NC(=O)C(=O)N2CC(CCC2c3ccc4c(
    c3)nc(s4)C5CCN(CC5)C)C    		 N-(6-amino-5-ethylpyridin-3-yl)-2-{(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl}-2-oxoacetamide;
    TNG462
    14481 A1BV1 2 C23 H26 Cl F N6 O3 InChI=1S/C23H26ClFN6O3/c1
    -2-27-23-28-13-14-12-16(2
    2(33)31(21(14)29-23)9-11-
    34-10-7-26)15-5-6-17(20(2
    5)19(15)24)30-8-3-4-18(30
    )32/h5-6,12-13H,2-4,7-11,
    26H2,1H3,(H,27,28,29);
    KFVPRGMMTHBEBX-UHFFFAOYSA-N    		 CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(c(c3Cl)
    F)N4CCCC4=O)CCOCCN; O=C1CCCN1c1ccc(C2=Cc
    3cnc(nc3N(CCOCCN)C2=O)NCC)c(Cl)c1F; CCNc
    1ncc2C=C(C(=O)N(CCOCCN)c2n1)c3ccc(N4CCCC
    4=O)c(F)c3Cl    		 (6M)-8-[2-(2-aminoethoxy)ethyl]-6-[2-chloro-3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
    14482 A1BV2 2 C27 H34 N6 O2 S InChI=1S/C27H34N6O2S/c1-1
    6-4-6-22(33(15-16)27(35)2
    5(34)30-20-12-17(2)24(28)
    29-14-20)19-5-7-23-21(13-
    19)31-26(36-23)18-8-10-32
    (3)11-9-18/h5,7,12-14,16,
    18,22H,4,6,8-11,15H2,1-3H
    3,(H2,28,29)(H,30,34)/t16
    -,22+/m0/s1;
    IOOQUQCCJJYVFM-KSFYIVLOSA-N    		 Cc1cc(cnc1N)NC(=O)C(=O)N2C[C@H](CC[C@@H]
    2c3ccc4c(c3)nc(s4)C5CCN(CC5)C)C; C[CH]1C
    C[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3c
    cc4sc(nc4c3)C5CCN(C)CC5; C[C@H]1CC[C@@H]
    (N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3ccc4sc
    (nc4c3)C5CCN(C)CC5; Cc1cc(cnc1N)NC(=O)C(
    =O)N2CC(CCC2c3ccc4c(c3)nc(s4)C5CCN(CC5)C
    )C; Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1
    cc2nc(sc2cc1)C1CCN(C)CC1    		 N-(6-amino-5-methylpyridin-3-yl)-2-{(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl}-2-oxoacetamide
    14483 A1BV3 2 C23 H28 F N5 O3 InChI=1S/C23H28FN5O3/c1-1
    3(2)22(31)28-12-19(16-5-7
    -17(24)8-6-16)29(11-15(28
    )4)23(32)21(30)27-18-9-14
    (3)20(25)26-10-18/h5-10,1
    3,15,19H,11-12H2,1-4H3,(H
    2,25,26)(H,27,30)/t15-,19
    -/m1/s1;
    ILSGAYFBQMGHPJ-DNVCBOLYSA-N    		 Cc1cc(cnc1N)NC(=O)C(=O)N2CC(N(CC2c3ccc(c
    c3)F)C(=O)C(C)C)C; CC(C)C(=O)N1C[C@@H](N
    (C[C@H]1C)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3cc
    c(F)cc3; O=C(C(C)C)N1CC(c2ccc(F)cc2)N(CC
    1C)C(=O)C(=O)Nc1cc(C)c(N)nc1; CC(C)C(=O)
    N1C[CH](N(C[CH]1C)C(=O)C(=O)Nc2cnc(N)c(C
    )c2)c3ccc(F)cc3; Cc1cc(cnc1N)NC(=O)C(=O)
    N2C[C@H](N(C[C@@H]2c3ccc(cc3)F)C(=O)C(C)
    C)C    		 N-(6-amino-5-methylpyridin-3-yl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoacetamide
    14484 A1BV4 1 C21 H21 N7 O2 S InChI=1S/C21H21N7O2S/c1-1
    1-2-4-16(12-3-5-17-14(6-1
    2)24-10-31-17)28(9-11)21(
    30)20(29)26-15-8-23-19(22
    )13-7-25-27-18(13)15/h3,5
    -8,10-11,16H,2,4,9H2,1H3,
    (H2,22,23)(H,25,27)(H,26,
    29)/t11-,16+/m0/s1;
    JVFAOCFMASFRKM-MEDUHNTESA-N    		 C[CH]1CC[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c3c
    n[nH]c23)c4ccc5scnc5c4; C[C@H]1CC[C@@H](
    N(C1)C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)c4cc
    c5scnc5c4; C[C@H]1CC[C@@H](N(C1)C(=O)C(=
    O)Nc2cnc(c3c2[nH]nc3)N)c4ccc5c(c4)ncs5;
    Nc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2cc3ncsc3c
    c2)c2[NH]ncc21; CC1CCC(N(C1)C(=O)C(=O)Nc
    2cnc(c3c2[nH]nc3)N)c4ccc5c(c4)ncs5    		 N-(4-amino-1H-pyrazolo[4,3-c]pyridin-7-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
    14485 A1BV5 1 C23 H25 N5 O2 S InChI=1S/C23H25N5O2S/c1-1
    3-2-6-19(15-5-7-20-18(8-1
    5)26-12-31-20)28(11-13)23
    (30)22(29)27-16-9-17(14-3
    -4-14)21(24)25-10-16/h5,7
    -10,12-14,19H,2-4,6,11H2,
    1H3,(H2,24,25)(H,27,29)/t
    13-,19+/m0/s1;
    QNHCUYXLHQODAB-ORAYPTAESA-N    		 Nc1ncc(cc1C1CC1)NC(=O)C(=O)N1CC(C)CCC1c1
    cc2ncsc2cc1; C[CH]1CC[CH](N(C1)C(=O)C(=O
    )Nc2cnc(N)c(c2)C3CC3)c4ccc5scnc5c4; C[C@
    H]1CC[C@@H](N(C1)C(=O)C(=O)Nc2cc(c(nc2)N
    )C3CC3)c4ccc5c(c4)ncs5; CC1CCC(N(C1)C(=O
    )C(=O)Nc2cc(c(nc2)N)C3CC3)c4ccc5c(c4)ncs
    5; C[C@H]1CC[C@@H](N(C1)C(=O)C(=O)Nc2cnc
    (N)c(c2)C3CC3)c4ccc5scnc5c4    		 N-(6-amino-5-cyclopropylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
    14486 A1BV7 1 C25 H21 Cl F2 N4 O3 S InChI=1S/C25H21ClF2N4O3S/
    c1-2-18(33)31-6-7-32-12(1
    1-31)5-8-35-22-14(25(32)3
    4)9-17(28)20(21(22)26)13-
    3-4-16(27)23-19(13)15(10-
    29)24(30)36-23/h3-4,9,12H
    ,2,5-8,11,30H2,1H3/t12-/m
    0/s1;
    VAELFXDDNADKOM-LBPRGKRZSA-N    		 CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(c(F)cc3C2=
    O)c4ccc(F)c5sc(N)c(C#N)c45)C1; CCC(=O)N1
    CC2CCOc3c(cc(F)c(c4ccc(F)c5sc(N)c(C#N)c4
    5)c3Cl)C(=O)N2CC1; CCC(=O)N1CCN2[C@@H](C
    COc3c(Cl)c(c(F)cc3C2=O)c4ccc(F)c5sc(N)c(
    C#N)c45)C1; CCC(=O)N1CCN2C(C1)CCOc3c(cc(
    c(c3Cl)c4ccc(c5c4c(c(s5)N)C#N)F)F)C2=O;
    CCC(=O)N1CCN2[C@H](C1)CCOc3c(cc(c(c3Cl)c
    4ccc(c5c4c(c(s5)N)C#N)F)F)C2=O    		 Olomorasib Bound Form
    14487 A1BV8 2 C26 H27 Cl N4 O2 InChI=1S/C26H27ClN4O2/c1-
    18-5-4-6-24(29-18)19-7-8-
    21(23(27)16-19)22-15-20-1
    7-28-10-9-25(20)31(26(22)
    32)12-14-33-13-11-30(2)3/
    h4-10,15-17H,11-14H2,1-3H
    3;
    NPOXYSJSLYNRSE-UHFFFAOYSA-N    		 Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C
    3=O)CCOCCN(C)C; CN(C)CCOCCN1C(=O)C(=Cc2c
    nccc12)c3ccc(cc3Cl)c4cccc(C)n4; Cc1cccc(
    n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c
    (Cl)c1    		 (3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one
    14488 A1BV9 1 C32 H33 F N2 O3 InChI=1S/C32H33FN2O3/c33-
    16-4-17-34-18-13-23(21-34
    )22-38-28-10-7-24(8-11-28
    )30-29-12-9-27(36)19-26(2
    9)20-32(14-15-32)35(30)31
    (37)25-5-2-1-3-6-25/h1-3,
    5-13,18-19,23,30,36H,4,14
    -17,20-22H2/t23-,30+/m0/s
    1;
    YVEUCNUGVRICLM-YUDQIZAISA-N    		 c1ccc(cc1)C(=O)N2C(c3ccc(cc3CC24CC4)O)c5
    ccc(cc5)OCC6CN(C=C6)CCCF; c1ccc(cc1)C(=O
    )N2[C@@H](c3ccc(cc3CC24CC4)O)c5ccc(cc5)O
    C[C@@H]6CN(C=C6)CCCF; FCCCN1C=CC(C1)COc1
    ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1cc
    ccc1; Oc1ccc2[CH](N(C(=O)c3ccccc3)C4(CC4
    )Cc2c1)c5ccc(OC[CH]6CN(CCCF)C=C6)cc5; Oc
    1ccc2[C@H](N(C(=O)c3ccccc3)C4(CC4)Cc2c1)
    c5ccc(OC[C@@H]6CN(CCCF)C=C6)cc5    		 [(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    14489 A1BVA 1 C14 H22 N8 O7 S InChI=1S/C14H22N8O7S/c1-5
    (15)7(16)13(25)21-30(26,2
    7)28-2-6-9(23)10(24)14(29
    -6)22-4-20-8-11(17)18-3-1
    9-12(8)22/h3-7,9-10,14,23
    -24H,2,15-16H2,1H3,(H,21,
    25)(H2,17,18,19)/t5-,6-,7
    +,9-,10-,14-/m1/s1;
    MASQMYRALSQMDU-CKTDUXNWSA-N    		 CC(C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c
    2ncnc3N)O)O)N)N; C[C@H]([C@@H](C(=O)NS(=
    O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c
    nc3c2ncnc3N)O)O)N)N; C[CH](N)[CH](N)C(=O
    )N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)
    n2cnc3c(N)ncnc23; C[C@@H](N)[C@H](N)C(=O
    )N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)n2cnc3c(N)ncnc23; CC(N)C(N)C(=O)NS(
    =O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O    		 5'-O-{[(2S,3R)-2,3-diaminobutanoyl]sulfamoyl}adenosine
    14490 A1BVB 1 C14 H14 N4 O S InChI=1S/C14H14N4OS/c1-10
    (15-2)14(19)18-13-5-3-4-1
    1(17-13)6-7-12-8-16-9-20-
    12/h3-5,8-10,15H,1-2H3,(H
    ,17,18,19)/t10-/m0/s1;
    SXGDRXXUUAHYAN-JTQLQIEISA-N    		 CC(NC)C(=O)Nc1nc(C#Cc2cncs2)ccc1; CC(C(=
    O)Nc1cccc(n1)C#Cc2cncs2)NC; C[C@@H](C(=O
    )Nc1cccc(n1)C#Cc2cncs2)NC; CN[CH](C)C(=O
    )Nc1cccc(n1)C#Cc2scnc2; CN[C@@H](C)C(=O)
    Nc1cccc(n1)C#Cc2scnc2    		 N~2~-methyl-N-{6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-L-alaninamide
    14491 A1BVC 2 C22 H33 F N4 O4 InChI=1S/C22H33FN4O4/c1-1
    3(24-5)19(28)26-18(22(2,3
    )4)21(30)27-11-7-8-17(27)
    20(29)25-16-12-14(31-6)9-
    10-15(16)23/h9-10,12-13,1
    7-18,24H,7-8,11H2,1-6H3,(
    H,25,29)(H,26,28)/t13-,17
    +,18-/m1/s1;
    MXGXCRZQXYAMPT-JEBQAFNWSA-N    		 CC(C(=O)NC(C(=O)N1CCCC1C(=O)Nc2cc(ccc2F)
    OC)C(C)(C)C)NC; O=C(Nc1cc(OC)ccc1F)C1CCC
    N1C(=O)C(NC(=O)C(C)NC)C(C)(C)C; CN[CH](C
    )C(=O)N[CH](C(=O)N1CCC[CH]1C(=O)Nc2cc(OC
    )ccc2F)C(C)(C)C; CN[C@@H](C)C(=O)N[C@H](
    C(=O)N1CCC[C@H]1C(=O)Nc2cc(OC)ccc2F)C(C)
    (C)C; C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H
    ]1C(=O)Nc2cc(ccc2F)OC)C(C)(C)C)NC    		 N-methyl-L-alanyl-3-methyl-L-valyl-N-(2-fluoro-5-methoxyphenyl)-L-prolinamide
    14492 A1BVD 4 C17 H15 F O4 InChI=1S/C17H15FO4/c18-13
    -8-6-12(7-9-13)16(20)14-4
    -1-2-5-15(14)17(21)22-11-
    3-10-19/h1-2,4-9,19H,3,10
    -11H2;
    RXPHTXXLGDDNLI-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCO;
    OCCCOC(=O)c1ccccc1C(=O)c2ccc(F)cc2; O=C(
    c1ccc(F)cc1)c1ccccc1C(=O)OCCCO    		 3-hydroxypropyl 2-(4-fluorobenzoyl)benzoate
    14493 A1BVE 6 C16 H15 F N2 O4 S InChI=1S/C16H15FN2O4S/c17
    -12-7-5-11(6-8-12)15(20)1
    3-3-1-2-4-14(13)16(21)19-
    9-10-24(18,22)23/h1-8H,9-
    10H2,(H,19,21)(H2,18,22,2
    3);
    WOEARHKOURQYMY-UHFFFAOYSA-N    		 O=C(c1ccc(F)cc1)c1ccccc1C(=O)NCCS(N)(=O)
    =O; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NCC
    S(=O)(=O)N; N[S](=O)(=O)CCNC(=O)c1ccccc1
    C(=O)c2ccc(F)cc2    		 2-(4-fluorobenzoyl)-N-(2-sulfamoylethyl)benzamide
    14494 A1BVF 6 C9 H9 Cl N4 O InChI=1S/C9H9ClN4O/c10-4-
    8-6-3-5(9(15)12-11)1-2-7(
    6)13-14-8/h1-3H,4,11H2,(H
    ,12,15)(H,13,14);
    CFZNRPPXQQDQFD-UHFFFAOYSA-N    		 NNC(=O)c1ccc2[nH]nc(CCl)c2c1; NNC(=O)c1c
    c2c(cc1)[NH]nc2CCl; c1cc2c(cc1C(=O)NN)c(
    n[nH]2)CCl    		 3-(chloromethyl)-1H-indazole-5-carbohydrazide
    14495 A1BVG 5 C17 H16 F N O5 S InChI=1S/C17H16FNO5S/c18-
    13-8-6-12(7-9-13)16(20)14
    -4-1-2-5-15(14)17(21)24-1
    0-3-11-25(19,22)23/h1-2,4
    -9H,3,10-11H2,(H2,19,22,2
    3);
    MLQZRKISRCFCFZ-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCS(=
    O)(=O)N; N[S](=O)(=O)CCCOC(=O)c1ccccc1C(
    =O)c2ccc(F)cc2; O=C(c1ccc(F)cc1)c1ccccc1
    C(=O)OCCCS(N)(=O)=O    		 3-sulfamoylpropyl 2-(4-fluorobenzoyl)benzoate
    14496 A1BVH 4 C16 H21 N O4 InChI=1S/C16H21NO4/c1-11(
    18)12-6-8-13(9-7-12)15(19
    )17-10-4-3-5-14(17)16(20)
    21-2/h6-9,11,14,18H,3-5,1
    0H2,1-2H3/t11-,14+/m0/s1;
    NTCPJUMLESOASK-SMDDNHRTSA-N    		 COC(=O)[C@H]1CCCCN1C(=O)c2ccc(cc2)[C@H](
    C)O; C[C@@H](c1ccc(cc1)C(=O)N2CCCC[C@@H]
    2C(=O)OC)O; COC(=O)[CH]1CCCCN1C(=O)c2ccc
    (cc2)[CH](C)O; O=C(c1ccc(cc1)C(C)O)N1CCC
    CC1C(=O)OC; CC(c1ccc(cc1)C(=O)N2CCCCC2C(
    =O)OC)O    		 methyl (2R)-1-{4-[(1S)-1-hydroxyethyl]benzoyl}piperidine-2-carboxylate
    14497 A1BVI 2 C25 H20 O2 InChI=1S/C25H20O2/c26-23-
    15-11-21(12-16-23)25(19-7
    -3-1-4-8-19,20-9-5-2-6-10
    -20)22-13-17-24(27)18-14-
    22/h1-18,26-27H;
    BATCUENAARTUKW-UHFFFAOYSA-N    		 Oc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(O)
    cc4; Oc1ccc(cc1)C(c1ccc(O)cc1)(c1ccccc1)
    c1ccccc1; c1ccc(cc1)C(c2ccccc2)(c3ccc(cc
    3)O)c4ccc(cc4)O    		 4,4'-(diphenylmethylene)diphenol
    14498 A1BVK 4 C21 H26 O2 InChI=1S/C21H26O2/c1-15-1
    2-20(2,3)14-21(13-15,16-4
    -8-18(22)9-5-16)17-6-10-1
    9(23)11-7-17/h4-11,15,22-
    23H,12-14H2,1-3H3/t15-/m0
    /s1;
    UMPGNGRIGSEMTC-HNNXBMFYSA-N    		 C[C@H]1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O
    )(C)C; C[CH]1CC(C)(C)CC(C1)(c2ccc(O)cc2)
    c3ccc(O)cc3; CC1CC(CC(C1)(c2ccc(cc2)O)c3
    ccc(cc3)O)(C)C; CC1(C)CC(C)CC(C1)(c1ccc(
    O)cc1)c1ccc(O)cc1; C[C@H]1CC(C)(C)CC(C1)
    (c2ccc(O)cc2)c3ccc(O)cc3    		 (2~5~S)-2~3~,2~3~,2~5~-trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol
    14499 A1BVL 1 C17 H17 N7 InChI=1S/C17H17N7/c1-4-19
    -17(20-5-1)24-10-8-23(9-1
    1-24)16-12-15(13-21-22-16
    )14-2-6-18-7-3-14/h1-7,12
    -13H,8-11H2;
    ZCUNPJSEJQKINH-UHFFFAOYSA-N    		 c1cnc(nc1)N2CCN(CC2)c3cc(cnn3)c4ccncc4;
    c1nc(ncc1)N1CCN(CC1)c1cc(cnn1)c1ccncc1;
    C1CN(CCN1c2cc(cnn2)c3ccncc3)c4ncccn4    		 5-(pyridin-4-yl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
    14500 A1BVM 1 C18 H18 N6 InChI=1S/C18H18N6/c1-5-19
    -6-2-15(1)16-13-18(22-21-
    14-16)24-11-9-23(10-12-24
    )17-3-7-20-8-4-17/h1-8,13
    -14H,9-12H2;
    PMYQZDHMSFEWMS-UHFFFAOYSA-N    		 C1CN(CCN1c2ccncc2)c3cc(cnn3)c4ccncc4; n1
    nc(cc(c1)c1ccncc1)N1CCN(CC1)c1ccncc1; c1
    cnccc1c2cc(nnc2)N3CCN(CC3)c4ccncc4    		 5-(pyridin-4-yl)-3-[4-(pyridin-4-yl)piperazin-1-yl]pyridazine
    14501 A1BVO 5 C12 H18 N2 O3 InChI=1S/C12H18N2O3/c13-1
    2(17)9-3-1-8(2-4-9)7-14-1
    0(15)5-6-11(14)16/h8-9H,1
    -7H2,(H2,13,17)/t8-,9-;
    NILRGZBNWXQVHW-KYZUINATSA-N    		 NC(=O)[C@H]1CC[C@@H](CC1)CN2C(=O)CCC2=O;
    C1CC(CCC1CN2C(=O)CCC2=O)C(=O)N; NC(=O)[
    CH]1CC[CH](CC1)CN2C(=O)CCC2=O; NC(=O)C1C
    CC(CN2C(=O)CCC2=O)CC1    		 (1r,4r)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
    14502 A1BVQ
    CHEMBL4755744    		 2 C25 H25 N3 O6 InChI=1S/C25H25N3O6/c1-31
    -18-4-5-20-19(11-18)15(8-
    9-26-20)3-7-24-33-12-17(1
    3-34-24)27-25(30)16-2-6-2
    2-21(10-16)28-23(29)14-32
    -22/h2,4-6,8-11,17,24H,3,
    7,12-14H2,1H3,(H,27,30)(H
    ,28,29);
    ZFMCWMJGTDHLKI-UHFFFAOYSA-N    		 COc1ccc2nccc(CC[C@@H]3OC[C@H](CO3)NC(=O)
    c4ccc5OCC(=O)Nc5c4)c2c1; COc1ccc2nccc(CC
    [CH]3OC[CH](CO3)NC(=O)c4ccc5OCC(=O)Nc5c4
    )c2c1; COc1ccc2c(c1)c(ccn2)CCC3OCC(CO3)N
    C(=O)c4ccc5c(c4)NC(=O)CO5; O=C1COc2ccc(c
    c2N1)C(=O)NC1COC(CCc2ccnc3ccc(OC)cc23)OC
    1    		 N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
    14503 A1BVR 1 C19 H16 Br Cl N4 O InChI=1S/C19H16BrClN4O/c1
    -24-17-3-2-12(20)8-14(17)
    19(18(24)26)4-6-25(7-5-19
    )13-9-15(21)16(10-22)23-1
    1-13/h2-3,8-9,11H,4-7H2,1
    H3;
    GOIPOWYRLKHJHX-UHFFFAOYSA-N    		 CN1C(=O)C2(CCN(CC2)c3cnc(C#N)c(Cl)c3)c4c
    c(Br)ccc14; CN1c2ccc(cc2C3(C1=O)CCN(CC3)
    c4cc(c(nc4)C#N)Cl)Br; Clc1cc(cnc1C#N)N1C
    CC2(CC1)C(=O)N(C)c1ccc(Br)cc12    		 5-(5-bromo-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl)-3-chloropyridine-2-carbonitrile
    14504 A1BVT 1 C28 H19 Cl N6 O2 InChI=1S/C28H19ClN6O2/c1-
    2-14-33-25(18-9-7-10-20(2
    9)15-18)26(35-23-13-6-5-1
    2-22(23)31-32-35)27(36)34
    (28(33)37)24-17-30-16-19-
    8-3-4-11-21(19)24/h2-13,1
    5-17H,1,14H2;
    GHMBRMVREZRIQH-UHFFFAOYSA-N    		 C=CCN1C(=C(C(=O)N(C1=O)c2cncc3c2cccc3)n4
    c5ccccc5nn4)c6cccc(c6)Cl; Clc1cccc(c1)C2
    =C(n3nnc4ccccc34)C(=O)N(C(=O)N2CC=C)c5cn
    cc6ccccc56; Clc1cccc(c1)C=1N(CC=C)C(=O)N
    (c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21    		 (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione;
    (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione bound form
    14505 A1BVU 2 C23 H27 F2 N3 O4 InChI=1S/C23H27F2N3O4/c1-
    12-18(22(31)27-16-6-4-5-1
    4(11-16)21(24)25)13(2)28(
    3)19(12)20(30)23(32)26-15
    -7-9-17(29)10-8-15/h4-6,1
    1,15,17,21,29H,7-10H2,1-3
    H3,(H,26,32)(H,27,31)/t15
    -,17+;
    ZUNIWKRJDDBEPY-WOVMCDHWSA-N    		 Cn1c(C)c(c(C)c1C(=O)C(=O)N[CH]2CC[CH](O)
    CC2)C(=O)Nc3cccc(c3)C(F)F; Cn1c(C)c(c(C)
    c1C(=O)C(=O)N[C@@H]2CC[C@H](O)CC2)C(=O)N
    c3cccc(c3)C(F)F; Cc1c(c(n(c1C(=O)C(=O)NC
    2CCC(CC2)O)C)C)C(=O)Nc3cccc(c3)C(F)F; Cc
    1c(c(C)n(C)c1C(=O)C(=O)NC1CCC(O)CC1)C(=O
    )Nc1cc(ccc1)C(F)F    		 N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide
    14506 A1BVV 1 C23 H32 N4 O8 S InChI=1S/C23H32N4O8S/c1-1
    2(20(28)24-2)9-18(23(31)3
    6(32,33)34)27-21(29)16(10
    -13-7-8-13)26-22(30)17-11
    -14-15(25-17)5-4-6-19(14)
    35-3/h4-6,11-13,16,18,23,
    25,31H,7-10H2,1-3H3,(H,24
    ,28)(H,26,30)(H,27,29)(H,
    32,33,34)/t12-,16-,18-,23
    -/m0/s1;
    LRZYSGDVBCJBRD-HGPWOKMFSA-N    		 CNC(=O)[CH](C)C[CH](NC(=O)[CH](CC1CC1)NC
    (=O)c2[nH]c3cccc(OC)c3c2)[CH](O)[S](O)(=
    O)=O; C[C@@H](C[C@@H]([C@@H](O)S(=O)(=O)
    O)NC(=O)[C@H](CC1CC1)NC(=O)c2cc3c([nH]2)
    cccc3OC)C(=O)NC; CNC(=O)C(C)CC(NC(=O)C(C
    C1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1)C(O)S(=
    O)(=O)O; CC(CC(C(O)S(=O)(=O)O)NC(=O)C(CC
    1CC1)NC(=O)c2cc3c([nH]2)cccc3OC)C(=O)NC;
    CNC(=O)[C@@H](C)C[C@H](NC(=O)[C@H](CC1C
    C1)NC(=O)c2[nH]c3cccc(OC)c3c2)[C@@H](O)[
    S](O)(=O)=O    		 (1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid
    14507 A1BVW 2 C8 H16 N2 O3 S InChI=1S/C8H16N2O3S/c1-9(
    2)8(11)10(3)7-4-5-14(12,1
    3)6-7/h7H,4-6H2,1-3H3/t7-
    /m0/s1;
    YBDUCJOFQJTISO-ZETCQYMHSA-N    		 CN(C)C(=O)N(C)[CH]1CC[S](=O)(=O)C1; CN(C
    1CCS(=O)(=O)C1)C(=O)N(C)C; CN(C)C(=O)N(C
    )[C@H]1CCS(=O)(=O)C1; CN(C)C(=O)N(C)C1CC
    S(=O)(=O)C1; CN(C)C(=O)N(C)[C@H]1CC[S](=
    O)(=O)C1    		 N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea
    14508 A1BVY
    CHEMBL3186008    		 1 C7 H6 N4 InChI=1S/C7H6N4/c1-2-4-7(
    5-3-1)11-6-8-9-10-11/h1-6
    H;
    IYPXPGSELZFFMI-UHFFFAOYSA-N    		 c1ccc(cc1)n2cnnn2; c1ccc(cc1)n1cnnn1 1-phenyl-1H-tetrazole
    14509 A1BVZ
    CHEMBL3629240    		 1 C9 H8 O3 InChI=1S/C9H8O3/c1-6(10)7
    -4-2-3-5-8(7)9(11)12/h2-5
    H,1H3,(H,11,12);
    QDAWXRKTSATEOP-UHFFFAOYSA-N    		 CC(=O)c1ccccc1C(O)=O; OC(=O)c1ccccc1C(C)
    =O; CC(=O)c1ccccc1C(=O)O    		 2-acetylbenzoic acid
    14510 A1BW0
    CHEMBL5895225    		 2 C20 H21 F N6 O2 InChI=1S/C20H21FN6O2/c1-2
    0(2,29)18(21)11-25-19(28)
    14-10-24-16(7-15(14)23-3)
    17-5-4-13-6-12(8-22)9-26-
    27(13)17/h4-7,9-10,18,29H
    ,11H2,1-3H3,(H,23,24)(H,2
    5,28);
    QRSLLJXPHSUGHX-UHFFFAOYSA-N    		 CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)c2cc
    c3cc(cnn23)C#N; CC(C)(O)C(F)CNC(=O)c1cnc
    (cc1NC)c1ccc2cc(cnn12)C#N; CC(C)(C(CNC(=
    O)c1cnc(cc1NC)c2ccc3n2ncc(c3)C#N)F)O; CN
    c1cc(ncc1C(=O)NC[CH](F)C(C)(C)O)c2ccc3cc
    (cnn23)C#N; CC(C)([C@@H](CNC(=O)c1cnc(cc
    1NC)c2ccc3n2ncc(c3)C#N)F)O    		 (6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(methylamino)pyridine-3-carboxamide
    14511 A1BW1
    CHEMBL5757633    		 4 C26 H30 F N7 O4 InChI=1S/C26H30FN7O4/c1-2
    6(2,37)23(27)14-30-24(35)
    19-13-29-21(22-5-4-18-8-1
    6(10-28)12-32-34(18)22)9-
    20(19)33-17-6-15(7-17)11-
    31-25(36)38-3/h4-5,8-9,12
    -13,15,17,23,37H,6-7,11,1
    4H2,1-3H3,(H,29,33)(H,30,
    35)(H,31,36)/t15-,17+,23-
    /m0/s1;
    KBLCGJFSDYGQEW-JCEJCQQGSA-N    		 CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC1CC(CNC(=O
    )OC)C1)c1ccc2cc(cnn12)C#N; CC(C)([C@@H](
    CNC(=O)c1cnc(cc1NC2CC(C2)CNC(=O)OC)c3ccc
    4n3ncc(c4)C#N)F)O; COC(=O)NC[C@H]1C[C@@H
    ](C1)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)
    c3ccc4cc(cnn34)C#N; CC(C)(C(CNC(=O)c1cnc
    (cc1NC2CC(C2)CNC(=O)OC)c3ccc4n3ncc(c4)C#
    N)F)O; COC(=O)NC[CH]1C[CH](C1)Nc2cc(ncc2
    C(=O)NC[CH](F)C(C)(C)O)c3ccc4cc(cnn34)C#
    N    		 methyl {[(1S,3s)-3-{[(2P)-2-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-5-{[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl}pyridin-4-yl]amino}cyclobutyl]methyl}carbamate
    14512 A1BW2
    CHEMBL5931531    		 2 C23 H23 Cl2 F6 N3 O4 S InChI=1S/C23H23Cl2F6N3O4S
    /c1-10-5-4-8-34(10)19(36)
    15-16(39-18(33-15)17(35)3
    2-9-20(2,3)37)11-6-7-12(1
    4(25)13(11)24)21(38,22(26
    ,27)28)23(29,30)31/h6-7,1
    0,37-38H,4-5,8-9H2,1-3H3,
    (H,32,35)/t10-/m0/s1;
    ZQHVEGQHOKDZEN-JTQLQIEISA-N    		 CC1CCCN1C(=O)c2c(sc(n2)C(=O)NCC(C)(C)O)c
    3ccc(c(c3Cl)Cl)C(C(F)(F)F)(C(F)(F)F)O; O
    =C(c1nc(sc1c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F
    )C(F)(F)F)C(=O)NCC(C)(C)O)N1CCCC1C; C[C@
    H]1CCCN1C(=O)c2c(sc(n2)C(=O)NCC(C)(C)O)c
    3ccc(c(c3Cl)Cl)C(C(F)(F)F)(C(F)(F)F)O; C
    [CH]1CCCN1C(=O)c2nc(sc2c3ccc(c(Cl)c3Cl)C
    (O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O; C
    [C@H]1CCCN1C(=O)c2nc(sc2c3ccc(c(Cl)c3Cl)
    C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O    		 (5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
    14513 A1BW4 2 C25 H25 Cl N4 O2 InChI=1S/C25H25ClN4O2/c1-
    24(23(27)32)8-9-25(13-24)
    14-29-21-19(25)20(26)18(1
    2-28-21)16-6-3-5-15(11-16
    )17-7-4-10-30(2)22(17)31/
    h3-7,10-12H,8-9,13-14H2,1
    -2H3,(H2,27,32)(H,28,29)/
    t24-,25-/m0/s1;
    RBWRXPHCLWKTNY-DQEYMECFSA-N    		 CC1(CCC2(C1)CNc3c2c(c(cn3)c4cccc(c4)C5=C
    C=CN(C5=O)C)Cl)C(=O)N; CN1C=CC=C(C1=O)c2
    cccc(c2)c3cnc4NC[C@@]5(CC[C@@](C)(C5)C(N
    )=O)c4c3Cl; CN1C=CC=C(C1=O)c2cccc(c2)c3c
    nc4NC[C]5(CC[C](C)(C5)C(N)=O)c4c3Cl; O=C
    1C(=CC=CN1C)c1cccc(c1)c1cnc2NCC3(CCC(C)(
    C3)C(N)=O)c2c1Cl; C[C@@]1(CC[C@]2(C1)CNc
    3c2c(c(cn3)c4cccc(c4)C5=CC=CN(C5=O)C)Cl)
    C(=O)N    		 (1R,3S,5'P)-4'-chloro-3-methyl-5'-[(3M)-3-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide
    14514 A1BW5 2 C22 H29 N5 O2 InChI=1S/C22H29N5O2/c1-4-
    5-11-29-17-7-8-18(15(2)12
    -17)19-13-16-14-25-22(24-
    3)26-20(16)27(21(19)28)10
    -6-9-23/h7-8,12-14H,4-6,9
    -11,23H2,1-3H3,(H,24,25,2
    6);
    ODYXWFJFAGROAV-UHFFFAOYSA-N    		 CCCCOc1ccc(c(C)c1)C2=Cc3cnc(NC)nc3N(CCCN
    )C2=O; CCCCOc1ccc(c(c1)C)C2=Cc3cnc(nc3N(
    C2=O)CCCN)NC; CCCCOc1ccc(C2=Cc3cnc(nc3N(
    CCCN)C2=O)NC)c(C)c1    		 (6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
    14515 A1BW6 1 C24 H25 F2 N7 O4 S InChI=1S/C24H25F2N7O4S/c1
    -2-19(34)29-14-5-3-13(4-6
    -14)17-11-12-18(25)20(21(
    17)26)22(35)33-23(27)31-2
    4(32-33)30-15-7-9-16(10-8
    -15)38(28,36)37/h2,7-14H,
    1,3-6H2,(H,29,34)(H2,28,3
    6,37)(H3,27,30,31,32)/t13
    -,14-;
    VCGXFVJENSAIDN-HDJSIYSDSA-N    		 O=C(c1c(F)ccc(C2CCC(NC(=O)C=C)CC2)c1F)n1
    nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N; Nc1nc(Nc2
    ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3c(F)ccc([
    CH]4CC[CH](CC4)NC(=O)C=C)c3F; Nc1nc(Nc2c
    cc(cc2)[S](N)(=O)=O)nn1C(=O)c3c(F)ccc([C
    @@H]4CC[C@H](CC4)NC(=O)C=C)c3F; C=CC(=O)
    NC1CCC(CC1)c2ccc(c(c2F)C(=O)n3c(nc(n3)Nc
    4ccc(cc4)S(=O)(=O)N)N)F    		 N-[(1r,4r)-4-{3-[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]-2,4-difluorophenyl}cyclohexyl]prop-2-enamide
    14516 A1BW7 2 C27 H26 N6 O InChI=1S/C27H26N6O/c1-17-
    29-9-10-32(17)15-19-11-23
    (20-5-6-20)22-7-8-25-27(2
    4(22)12-19)30-31-33(25)16
    -18-3-4-21(14-28)26(13-18
    )34-2/h3-4,9-13,20H,5-8,1
    5-16H2,1-2H3;
    MMRIZPIUJGQPIL-UHFFFAOYSA-N    		 Cc1nccn1Cc1cc2c(CCc3c2nnn3Cc2ccc(C#N)c(O
    C)c2)c(c1)C1CC1; COc1cc(Cn2nnc3c2CCc4c(c
    c(Cn5ccnc5C)cc34)C6CC6)ccc1C#N; Cc1nccn1
    Cc2cc-3c(c(c2)C4CC4)CCc5c3nnn5Cc6ccc(c(c
    6)OC)C#N    		 4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile
    14517 A1BW8 4 C29 H27 F4 N7 InChI=1S/C29H27F4N7/c1-4-
    39-16-24(28(36-39)29(31,3
    2)33)22-12-20(14-38-10-9-
    34-18(38)3)13-23-21(22)6-
    8-26-27(23)35-37-40(26)15
    -19-5-7-25(30)17(2)11-19/
    h5,7,9-13,16H,4,6,8,14-15
    H2,1-3H3;
    XLTBFORPJOMOPM-UHFFFAOYSA-N    		 CCn1cc(c2cc(Cn3ccnc3C)cc4c2CCc5n(Cc6ccc(
    F)c(C)c6)nnc45)c(n1)C(F)(F)F; CCn1cc(c(n
    1)C(F)(F)F)c2cc(cc-3c2CCc4c3nnn4Cc5ccc(c
    (c5)C)F)Cn6ccnc6C; FC(F)(F)c1nn(CC)cc1c1
    cc(Cn2ccnc2C)cc2c1CCc1c2nnn1Cc1ccc(F)c(C
    )c1    		 (6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole
    14518 A1BW9 2 C31 H31 F N6 O2 InChI=1S/C31H31FN6O2/c1-1
    9-11-22(32)5-6-25(19)27-1
    4-21(17-37-10-9-36(2)31(3
    7)33)15-28-26(27)7-8-29-3
    0(28)34-35-38(29)18-20-12
    -23(39-3)16-24(13-20)40-4
    /h5-6,9-16,33H,7-8,17-18H
    2,1-4H3/b33-31+;
    CMPQOOWMXHVBSV-QOSDPKFLSA-N    		 Fc1ccc(c(C)c1)c1cc(CN2C=CN(C)C2=N)cc2c1C
    Cc1c2nnn1Cc1cc(OC)cc(OC)c1; Cc1cc(ccc1c2
    cc(cc-3c2CCc4c3nnn4Cc5cc(cc(c5)OC)OC)CN6
    C=CN(C6=N)C)F; COc1cc(Cn2nnc3c2CCc4c(cc(
    CN5C=CN(C)C5=N)cc34)c6ccc(F)cc6C)cc(OC)c
    1; [H]/N=C/1\N(C=CN1Cc2cc(c3c(c2)-c4c(n(
    nn4)Cc5cc(cc(c5)OC)OC)CC3)c6ccc(cc6C)F)C    		 1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine
    14519 A1BWA 4 C24 H19 F2 N5 O2 S InChI=1S/C24H19F2N5O2S/c1
    -13(32)28-19-12-15(9-10-2
    7-19)22-21(30-24(31-22)34
    -2)14-5-3-6-16(11-14)29-2
    3(33)20-17(25)7-4-8-18(20
    )26/h3-12H,1-2H3,(H,29,33
    )(H,30,31)(H,27,28,32);
    XSGKACFQFCCIJV-UHFFFAOYSA-N    		 CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(
    NC(=O)c4c(F)cccc4F)c3; CSc1nc(c2cc(NC(=O
    )c3c(F)cccc3F)ccc2)c([NH]1)c1ccnc(NC(C)=
    O)c1; CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c
    3cccc(c3)NC(=O)c4c(cccc4F)F    		 N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide
    14520 A1BWC 6 C22 H22 F5 N5 O3 InChI=1S/C22H22F5N5O3/c23
    -15-10-13(31-21(33)29-3-1
    -5-32-6-8-34-9-7-32)11-16
    (24)19(15)35-17-2-4-28-20
    -18(17)14(12-30-20)22(25,
    26)27/h2,4,10-12H,1,3,5-9
    H2,(H,28,30)(H2,29,31,33);
    DYJKKWARNHEHJB-UHFFFAOYSA-N    		 c1cnc2c(c1Oc3c(cc(cc3F)NC(=O)NCCCN4CCOCC
    4)F)c(c[nH]2)C(F)(F)F; Fc1cc(NC(=O)NCCCN
    2CCOCC2)cc(F)c1Oc3ccnc4[nH]cc(c34)C(F)(F
    )F; FC(F)(F)c1c[NH]c2nccc(Oc3c(F)cc(cc3F
    )NC(=O)NCCCN3CCOCC3)c21    		 N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea
    14521 A1BWF 4 C47 H66 N10 O5 S InChI=1S/C47H66N10O5S/c1-
    30(2)57-40(60)19-14-34-27
    -49-46(53-43(34)57)51-35-
    15-17-36(18-16-35)55-23-2
    1-54(22-24-55)20-8-7-9-39
    (59)52-42(47(4,5)6)45(62)
    56-28-37(58)25-38(56)44(6
    1)48-26-32-10-12-33(13-11
    -32)41-31(3)50-29-63-41/h
    10-14,19,27,29-30,35-38,4
    2,58H,7-9,15-18,20-26,28H
    2,1-6H3,(H,48,61)(H,52,59
    )(H,49,51,53)/t35-,36-,37
    -,38+,42-/m1/s1;
    NLSUEDHTOMHRAG-AHPJQPEPSA-N    		 CC(C)N1C(=O)C=Cc2cnc(N[CH]3CC[CH](CC3)N4
    CCN(CCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5
    C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)CC4)n
    c12; Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3
    C(=O)C(C(C)(C)C)NC(=O)CCCCN4CCN(CC4)C5CC
    C(CC5)Nc6ncc7c(n6)N(C(=O)C=C7)C(C)C)O; C
    c1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](
    CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCN4CCN(C
    C4)C5CCC(CC5)Nc6ncc7c(n6)N(C(=O)C=C7)C(C
    )C)O; CC(C)N1c2nc(ncc2C=CC1=O)NC1CCC(CC1
    )N1CCN(CC1)CCCCC(=O)NC(C(=O)N1CC(O)CC1C(
    =O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C; CC(C)N
    1C(=O)C=Cc2cnc(N[C@@H]3CC[C@H](CC3)N4CCN
    (CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5
    C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)CC4)n
    c12    		 3-methyl-N-(5-{4-[(1r,4S)-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl]piperazin-1-yl}pentanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
    14522 A1BWH 10 C24 H31 F N4 O5 InChI=1S/C24H31FN4O5/c25-
    16-5-1-3-14-10-19(27-21(1
    4)16)24(34)29-18(9-13-6-7
    -13)23(33)28-17(20(31)12-
    30)11-15-4-2-8-26-22(15)3
    2/h1,3,5,10,13,15,17-18,2
    0,27,30-31H,2,4,6-9,11-12
    H2,(H,26,32)(H,28,33)(H,2
    9,34)/t15-,17-,18-,20+/m0
    /s1;
    SXZDNPUJTOHKJI-TXJVSEOTSA-N    		 c1cc2cc([nH]c2c(c1)F)C(=O)N[C@@H](CC3CC3
    )C(=O)N[C@@H](C[C@@H]4CCCNC4=O)[C@@H](CO
    )O; OC[CH](O)[CH](C[CH]1CCCNC1=O)NC(=O)[
    CH](CC2CC2)NC(=O)c3[nH]c4c(F)cccc4c3; c1
    cc2cc([nH]c2c(c1)F)C(=O)NC(CC3CC3)C(=O)N
    C(CC4CCCNC4=O)C(CO)O; OC[C@@H](O)[C@H](C
    [C@@H]1CCCNC1=O)NC(=O)[C@H](CC2CC2)NC(=O
    )c3[nH]c4c(F)cccc4c3; Fc1cccc2cc([NH]c21
    )C(=O)NC(CC1CC1)C(=O)NC(CC1CCCNC1=O)C(O)
    CO    		 N-[(2S)-3-cyclopropyl-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
    14523 A1BWI 2 C6 H8 N2 O3 InChI=1S/C6H8N2O3/c1-2-3-
    4(9)7-6(11)8-5(3)10/h3H,2
    H2,1H3,(H2,7,8,9,10,11);
    FMTLDVACNZDTQL-UHFFFAOYSA-N    		 CCC1C(=O)NC(=O)NC1=O; O=C1NC(=O)NC(=O)C1
    CC    		 5-ethyl-1,3-diazinane-2,4,6-trione
    14524 A1BWJ 2 C11 H10 N2 O4 InChI=1S/C11H10N2O4/c14-7
    -3-1-2-6(4-7)5-8-9(15)12-
    11(17)13-10(8)16/h1-4,8,1
    4H,5H2,(H2,12,13,15,16,17
    );
    VHLBCIZZFAHISJ-UHFFFAOYSA-N    		 Oc1cccc(CC2C(=O)NC(=O)NC2=O)c1; c1cc(cc(
    c1)O)CC2C(=O)NC(=O)NC2=O; O=C1NC(=O)NC(=
    O)C1Cc1cccc(O)c1    		 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
    14525 A1BWL 2 C24 H23 F N6 O3 InChI=1S/C24H23FN6O3/c1-1
    2-16(10-30-23-22(12)28-5-
    6-33-23)15-7-14-8-19(29-1
    1-17(14)21(27)20(15)25)31
    -24(32)34-18-4-2-3-13(18)
    9-26/h7-8,10-11,13,18,28H
    ,2-6,27H2,1H3,(H,29,31,32
    )/t13-,18+/m0/s1;
    CSFJGHIDSVDFSM-SCLBCKFNSA-N    		 Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N)NC(
    =O)O[C@@H]5CCC[C@H]5C#N; Cc1c2NCCOc2ncc1
    c3cc4cc(NC(=O)O[CH]5CCC[CH]5C#N)ncc4c(N)
    c3F; Cc1c2NCCOc2ncc1c3cc4cc(NC(=O)O[C@@H
    ]5CCC[C@H]5C#N)ncc4c(N)c3F; N#CC1CCCC1OC
    (=O)Nc1cc2cc(c3cnc4OCCNc4c3C)c(F)c(N)c2c
    n1; Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N
    )NC(=O)OC5CCCC5C#N    		 (1R,2S)-2-cyanocyclopentyl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
    14526 A1BWM 2 C29 H30 N6 O5 InChI=1S/C29H30N6O5/c1-29
    (2)22-14-19(8-9-20(22)27(
    37)39-29)31-28-30-15-21(2
    6-33-24(35-40-26)18-10-12
    -38-13-11-18)25(34-28)32-
    23(16-36)17-6-4-3-5-7-17/
    h3-9,14-15,18,23,36H,10-1
    3,16H2,1-2H3,(H2,30,31,32
    ,34)/t23-/m1/s1;
    CJEDRQLHKUFXRG-HSZRJFAPSA-N    		 CC1(C)OC(=O)c2ccc(Nc3ncc(c(N[C@H](CO)c4c
    cccc4)n3)c5onc(n5)C6CCOCC6)cc12; CC1(C)O
    C(=O)c2ccc(cc21)Nc1ncc(c2nc(no2)C2CCOCC2
    )c(NC(CO)c2ccccc2)n1; CC1(c2cc(ccc2C(=O)
    O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nc(n
    o5)C6CCOCC6)C; CC1(c2cc(ccc2C(=O)O1)Nc3n
    cc(c(n3)NC(CO)c4ccccc4)c5nc(no5)C6CCOCC6
    )C; CC1(C)OC(=O)c2ccc(Nc3ncc(c(N[CH](CO)
    c4ccccc4)n3)c5onc(n5)C6CCOCC6)cc12    		 5-[(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl)amino]-3,3-dimethyl-2-benzofuran-1(3H)-one
    14527 A1BWO 0 C16 H19 F2 N3 O6 S InChI=1S/C16H19F2N3O6S/c1
    -26-15(22)19-8-11-9-21(16
    (23)27-11)10-6-12(17)14(1
    3(18)7-10)20-2-4-28(24,25
    )5-3-20/h6-7,11H,2-5,8-9H
    2,1H3,(H,19,22)/t11-/m0/s
    1;
    CCYKSCLMFZLAJH-NSHDSACASA-N    		 COC(=O)NC[CH]1CN(C(=O)O1)c2cc(F)c(N3CC[S
    ](=O)(=O)CC3)c(F)c2; COC(=O)NC[C@H]1CN(C
    (=O)O1)c2cc(F)c(N3CC[S](=O)(=O)CC3)c(F)c
    2; COC(=O)NC[C@H]1CN(C(=O)O1)c2cc(c(c(c2
    )F)N3CCS(=O)(=O)CC3)F; COC(=O)NCC1CN(C(=
    O)O1)c2cc(c(c(c2)F)N3CCS(=O)(=O)CC3)F; O
    =S1(=O)CCN(CC1)c1c(F)cc(cc1F)N1CC(CNC(=O
    )OC)OC1=O    		 methyl ({(5S)-3-[4-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)carbamate
    14528 A1BWR 4 C21 H26 O2 InChI=1S/C21H26O2/c1-15-1
    2-20(2,3)14-21(13-15,16-4
    -8-18(22)9-5-16)17-6-10-1
    9(23)11-7-17/h4-11,15,22-
    23H,12-14H2,1-3H3/t15-/m1
    /s1;
    UMPGNGRIGSEMTC-OAHLLOKOSA-N    		 C[CH]1CC(C)(C)CC(C1)(c2ccc(O)cc2)c3ccc(O
    )cc3; C[C@@H]1CC(C)(C)CC(C1)(c2ccc(O)cc2
    )c3ccc(O)cc3; CC1CC(CC(C1)(c2ccc(cc2)O)c
    3ccc(cc3)O)(C)C; CC1(C)CC(C)CC(C1)(c1ccc
    (O)cc1)c1ccc(O)cc1; C[C@@H]1CC(CC(C1)(c2
    ccc(cc2)O)c3ccc(cc3)O)(C)C    		 (2~5~R)-2~3~,2~3~,2~5~-trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol
    14529 A1BWS 1 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c1-5(
    2)3-6(9(11)16)12-10(17)7(
    13)4-8(14)15/h5-7,13H,3-4
    H2,1-2H3,(H2,11,16)(H,12,
    17)(H,14,15)/t6-,7-/m0/s1;
    LHEOILLGVMWLIK-BQBZGAKWSA-N    		 O=C(O)CC(O)C(=O)NC(CC(C)C)C(N)=O; CC(C)C
    C(C(=O)N)NC(=O)C(CC(=O)O)O; CC(C)C[CH](N
    C(=O)[CH](O)CC(O)=O)C(N)=O; CC(C)C[C@@H]
    (C(=O)N)NC(=O)[C@H](CC(=O)O)O; CC(C)C[C@
    H](NC(=O)[C@@H](O)CC(O)=O)C(N)=O    		 (3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid
    14530 A1BWT 1 C20 H29 N3 O6 InChI=1S/C20H29N3O6/c1-14
    (24)21-10-6-3-7-11-22-19(
    28)16(12-15-8-4-2-5-9-15)
    23-20(29)17(25)13-18(26)2
    7/h2,4-5,8-9,16-17,25H,3,
    6-7,10-13H2,1H3,(H,21,24)
    (H,22,28)(H,23,29)(H,26,2
    7)/t16-,17+/m0/s1;
    DEIZDXKQOQMCEV-DLBZAZTESA-N    		 CC(=O)NCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)
    [C@H](O)CC(O)=O; CC(=O)NCCCCCNC(=O)[C@H]
    (Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)O; O=C(O
    )CC(O)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCNC(C)
    =O; CC(=O)NCCCCCNC(=O)[CH](Cc1ccccc1)NC(
    =O)[CH](O)CC(O)=O; CC(=O)NCCCCCNC(=O)C(C
    c1ccccc1)NC(=O)C(CC(=O)O)O    		 (3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid
    14531 A1BWU 1 C14 H18 Cl N O InChI=1S/C14H18ClNO/c15-1
    1-14(17)16-8-6-13(7-9-16)
    10-12-4-2-1-3-5-12/h1-5,1
    3H,6-11H2;
    NESGURPSHDOKFU-UHFFFAOYSA-N    		 c1ccc(cc1)CC2CCN(CC2)C(=O)CCl; O=C(CCl)N
    1CCC(Cc2ccccc2)CC1; ClCC(=O)N1CCC(CC1)Cc
    2ccccc2    		 1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one
    14532 A1BWW 1 C26 H22 F3 N7 O InChI=1S/C26H22F3N7O/c1-3
    6-12-19(26(27,28)29)34-24
    (36)16-5-3-14(4-6-16)9-17
    -10-30-18-11-31-23(35-21(
    17)18)20-22(15-7-8-15)32-
    13-33-25(20)37-2/h3-6,10-
    13,15,30H,7-9H2,1-2H3;
    ONJHDRGRJAZAHT-UHFFFAOYSA-N    		 Cn1cc(nc1c1ccc(Cc2c[NH]c3cnc(nc32)c2c(nc
    nc2OC)C2CC2)cc1)C(F)(F)F; COc1ncnc(C2CC2
    )c1c3ncc4[nH]cc(Cc5ccc(cc5)c6nc(cn6C)C(F
    )(F)F)c4n3; Cn1cc(nc1c2ccc(cc2)Cc3c[nH]c
    4c3nc(nc4)c5c(ncnc5OC)C6CC6)C(F)(F)F    		 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-5H-pyrrolo[3,2-d]pyrimidine
    14533 A1BWX 2 C27 H31 F N6 O3 InChI=1S/C27H31FN6O3/c1-2
    5(2,36)23(28)16-31-24(35)
    19-15-30-21(22-4-3-18-11-
    17(13-29)14-32-34(18)22)1
    2-20(19)33-26-5-8-27(37,9
    -6-26)10-7-26/h3-4,11-12,
    14-15,23,36-37H,5-10,16H2
    ,1-2H3,(H,30,33)(H,31,35)
    /t23-,26-,27+/m0/s1;
    CADZNHPGPXGCBJ-MSLLRLGPSA-N    		 CC(C)(O)[CH](F)CNC(=O)c1cnc(cc1NC23CCC(O
    )(CC2)CC3)c4ccc5cc(cnn45)C#N; CC(C)(C(CN
    C(=O)c1cnc(cc1NC23CCC(CC2)(CC3)O)c4ccc5n
    4ncc(c5)C#N)F)O; CC(C)(O)[C@H](F)CNC(=O)
    c1cnc(cc1NC23CCC(O)(CC2)CC3)c4ccc5cc(cnn
    45)C#N; CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC12
    CCC(O)(CC1)CC2)c1ccc2cc(cnn12)C#N; CC(C)
    ([C@@H](CNC(=O)c1cnc(cc1NC23CCC(CC2)(CC3
    )O)c4ccc5n4ncc(c5)C#N)F)O    		 (6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxybicyclo[2.2.2]octan-1-yl)amino]pyridine-3-carboxamide
    14534 A1BWY
    CHEMBL5895431    		 4 C29 H31 F3 N8 O2 InChI=1S/C29H31F3N8O2/c1-
    29(2,42)26(30)15-35-27(41
    )22-14-34-24(25-8-7-21-9-
    17(11-33)12-37-40(21)25)1
    0-23(22)38-20-5-3-18(4-6-
    20)19-13-36-39(16-19)28(3
    1)32/h7-10,12-14,16,18,20
    ,26,28,42H,3-6,15H2,1-2H3
    ,(H,34,38)(H,35,41)/t18-,
    20+,26-/m0/s1;
    QLDHSUUJTRPWLP-UDJSKEQPSA-N    		 CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CCC(CC2)
    c3cnn(c3)C(F)F)c4ccc5n4ncc(c5)C#N)F)O; C
    C(C)(O)[CH](F)CNC(=O)c1cnc(cc1N[CH]2CC[C
    H](CC2)c3cnn(c3)C(F)F)c4ccc5cc(cnn45)C#N
    ; CC(C)(C(CNC(=O)c1cnc(cc1NC2CCC(CC2)c3c
    nn(c3)C(F)F)c4ccc5n4ncc(c5)C#N)F)O; CC(C
    )(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]2CC[C
    @H](CC2)c3cnn(c3)C(F)F)c4ccc5cc(cnn45)C#
    N; FC(F)n1cc(cn1)C1CCC(Nc2cc(ncc2C(=O)NC
    C(F)C(C)(C)O)c2ccc3cc(C#N)cnn32)CC1    		 (6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-({(1s,4S)-4-[1-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexyl}amino)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
    14535 A1BWZ
    CHEMBL5095097
    DB18917    		 4 C22 H22 F N7 O2 InChI=1S/C22H22FN7O2/c1-1
    3(8-24)29-17-7-18(19-5-4-
    15-6-14(9-25)10-28-30(15)
    19)26-11-16(17)21(31)27-1
    2-20(23)22(2,3)32/h4-7,10
    -11,13,20,32H,12H2,1-3H3,
    (H,26,29)(H,27,31);
    HORBHQPSWJRDSV-UHFFFAOYSA-N    		 C[C@@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C
    )O)c2ccc3cc(cnn23)C#N)C#N; CC(C)(O)C(F)C
    NC(=O)c1cnc(cc1NC(C)C#N)c1ccc2cc(cnn12)C
    #N; CC(C#N)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F
    )c2ccc3n2ncc(c3)C#N; C[C@H](C#N)Nc1cc(nc
    c1C(=O)NC[C@H](C(C)(C)O)F)c2ccc3n2ncc(c3
    )C#N; C[CH](Nc1cc(ncc1C(=O)NC[CH](F)C(C)
    (C)O)c2ccc3cc(cnn23)C#N)C#N    		 (6P)-4-{[(1S)-1-cyanoethyl]amino}-6-[(8S)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
    14536 A1BX0 1 C10 H10 N4 O S InChI=1S/C10H10N4OS/c1-2-
    7-6-16-9(13-7)5-11-10(15)
    8-3-4-12-14-8/h2-4,6H,1,5
    H2,(H,11,15)(H,12,14);
    MBNCIXDMIHHDPA-UHFFFAOYSA-N    		 C=Cc1csc(CNC(=O)c2cc[nH]n2)n1; C=Cc1csc(
    n1)CNC(=O)c2cc[nH]n2; O=C(NCc1nc(cs1)C=C
    )c1cc[NH]n1    		 N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
    14537 A1BX1 2 C15 H13 N5 S InChI=1S/C15H13N5S/c1-5-1
    7-15-12(2-6-18-15)11(1)13
    -9-20(7-8-21-13)14-3-4-16
    -10-19-14/h1-6,9-10H,7-8H
    2,(H,17,18);
    SXCYLCVXPMQXMB-UHFFFAOYSA-N    		 C1CN(C=C(S1)c2ccnc3[nH]ccc23)c4ccncn4; c
    1nc(ccn1)N1C=C(SCC1)c1ccnc2[NH]ccc21; c1
    c[nH]c2c1c(ccn2)C3=CN(CCS3)c4ccncn4    		 (4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine
    14538 A1BX3 8 C33 H41 N9 O18 P2 S2 InChI=1S/C33H41N9O18P2S2/
    c1-12-18(19(51-4)26(54-12
    )40-7-5-15(43)36-30(40)47
    )59-61(49,63)53-10-33-14(
    3)56-21(28(58-33)41-8-6-1
    6(44)37-31(41)48)23(33)60
    -62(50,64)52-9-32-13(2)55
    -20(22(32)45)27(57-32)42-
    11-35-17-24(42)38-29(34)3
    9-25(17)46/h5-8,11-14,18-
    23,26-28,45H,9-10H2,1-4H3
    ,(H,49,63)(H,50,64)(H,36,
    43,47)(H,37,44,48)(H3,34,
    38,39,46)/t12-,13+,14+,18
    +,19-,20-,21-,22-,23-,26+
    ,27-,28+,32+,33+,61-,62-/
    m1/s1;
    VUDMJYAXWQVAIQ-FFBYRIQISA-N    		 CO[CH]1[CH](O[P](S)(=O)OC[C]23O[CH]([CH]
    (O[CH]2C)[CH]3O[P](S)(=O)OC[C]45O[CH]([C
    H](O[CH]4C)[CH]5O)n6cnc7C(=O)NC(=Nc67)N)
    N8C=CC(=O)NC8=O)[CH](C)O[CH]1N9C=CC(=O)N
    C9=O; C[C@@H]1[C@@H]([C@H]([C@H](O1)N2C=
    CC(=O)NC2=O)OC)O[P@@](=O)(OC[C@]34[C@@H]
    (O[C@H]([C@H]3O[P@@](=O)(OC[C@]56[C@@H](
    O[C@H]([C@H]5O)[C@@H](O6)n7cnc8c7N=C(NC8
    =O)N)C)S)[C@H](O4)N9C=CC(=O)NC9=O)C)S; C
    O[C@@H]1[C@@H](O[P@@](S)(=O)OC[C@]23O[C@
    @H]([C@H](O[C@H]2C)[C@H]3O[P@@](S)(=O)OC
    [C@]45O[C@H]([C@H](O[C@H]4C)[C@H]5O)n6cn
    c7C(=O)NC(=Nc67)N)N8C=CC(=O)NC8=O)[C@@H]
    (C)O[C@@H]1N9C=CC(=O)NC9=O; NC1=Nc2c(ncn
    2C2OC3(COP(=O)(S)OC4C5OC(C)C4(COP(=O)(S)
    OC4C(C)OC(N6C=CC(=O)NC6=O)C4OC)OC5N4C=CC
    (=O)NC4=O)C(O)C2OC3C)C(=O)N1; CC1C(C(C(O
    1)N2C=CC(=O)NC2=O)OC)OP(=O)(OCC34C(OC(C3
    OP(=O)(OCC56C(OC(C5O)C(O6)n7cnc8c7N=C(NC
    8=O)N)C)S)C(O4)N9C=CC(=O)NC9=O)C)S    		 O-{[(1S,3S,4R,6S,7R)-7-{[(R)-{[(1R,3R,4R,6S,7R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy}(sulfanyl)phosphoryl]oxy}-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl} O-[(2R,3S,4R,5S)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-methoxy-2-methyloxolan-3-yl] hydrogen (R)-phosphorothioate
    14539 A1BX4 1 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c7-5(6
    (9)10)3-1-2-4-8-11/h5,8,1
    1H,1-4,7H2,(H,9,10)/t5-/m
    0/s1;
    FZQOIMPLZAYIKU-YFKPBYRVSA-N    		 NC(CCCCNO)C(=O)O; N[CH](CCCCNO)C(O)=O; C
    (CCNO)CC(C(=O)O)N; C(CCNO)C[C@@H](C(=O)O
    )N; N[C@@H](CCCCNO)C(O)=O    		 N~6~-hydroxy-L-lysine
    14540 A1BX5 1 C11 H14 N4 O S InChI=1S/C11H14N4OS/c1-7(
    2)9-6-17-10(14-9)5-12-11(
    16)8-3-4-13-15-8/h3-4,6-7
    H,5H2,1-2H3,(H,12,16)(H,1
    3,15);
    DSTUBGXRLPKGTH-UHFFFAOYSA-N    		 O=C(NCc1nc(cs1)C(C)C)c1cc[NH]n1; CC(C)c1
    csc(CNC(=O)c2cc[nH]n2)n1; CC(C)c1csc(n1)
    CNC(=O)c2cc[nH]n2    		 N-{[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrazole-3-carboxamide
    14541 A1BX6 2 C29 H28 N6 O5 S InChI=1S/C29H28N6O5S/c36-
    26-11-13-34(29(38)32-26)2
    7-17-30-25-14-21(10-12-33
    (25)27)16-31-28(37)24-15-
    22-8-4-5-9-23(22)18-35(24
    )41(39,40)19-20-6-2-1-3-7
    -20/h1-10,12,14,17,24H,11
    ,13,15-16,18-19H2,(H,31,3
    7)(H,32,36,38)/t24-/m0/s1;
    ZTRLXYYBDRZBSP-DEOSSOPVSA-N    		 O=C1CCN(C(=O)N1)c2cnc3cc(CNC(=O)[CH]4Cc5
    ccccc5CN4[S](=O)(=O)Cc6ccccc6)ccn23; c1c
    cc(cc1)CS(=O)(=O)N2Cc3ccccc3CC2C(=O)NCc4
    ccn5c(c4)ncc5N6CCC(=O)NC6=O; c1ccc(cc1)C
    S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc4ccn5
    c(c4)ncc5N6CCC(=O)NC6=O; O=C1NC(=O)CCN1c
    1cnc2cc(ccn12)CNC(=O)C1Cc2ccccc2CN1S(=O)
    (=O)Cc1ccccc1; O=C1CCN(C(=O)N1)c2cnc3cc(
    CNC(=O)[C@@H]4Cc5ccccc5CN4[S](=O)(=O)Cc6
    ccccc6)ccn23    		 (3S)-N-{[(4R)-3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]methyl}-2-(phenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
    14542 A1BX7 1 C32 H36 N10 O2 InChI=1S/C32H36N10O2/c1-1
    9-23-15-34-42(26(23)12-25
    (35-19)24-14-33-7-6-28(24
    )43-3)29-13-27-30(31(36-2
    9)41-17-22-11-21(41)18-44
    -22)37-32(38(27)2)40-10-9
    -39-8-4-5-20(39)16-40/h6-
    7,12-15,20-22H,4-5,8-11,1
    6-18H2,1-3H3;
    WWLFWVFVYAPDGW-UHFFFAOYSA-N    		 COc1ccncc1c2cc3n(ncc3c(C)n2)c4cc5n(C)c(n
    c5c(n4)N6C[CH]7C[CH]6CO7)N8CCN9CCC[CH]9C
    8; Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(
    n4)N6C[C@H]7C[C@@H]6CO7)nc(n5C)N8CCN9CCC
    [C@@H]9C8; COc1ccncc1c1cc2c(cnn2c2nc(N3C
    C4CC3CO4)c3nc(N4CC5CCCN5CC4)n(C)c3c2)c(C
    )n1; COc1ccncc1c2cc3n(ncc3c(C)n2)c4cc5n(
    C)c(nc5c(n4)N6C[C@H]7C[C@@H]6CO7)N8CCN9C
    CC[C@@H]9C8; Cc1c2cnn(c2cc(n1)c3cnccc3OC
    )c4cc5c(c(n4)N6CC7CC6CO7)nc(n5C)N8CCN9CC
    CC9C8    		 (6M)-1-{2-[(5S,8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine
    14543 A1BX8 2 C11 H11 N3 O2 InChI=1S/C11H11N3O2/c1-7-
    6-10(14-16-7)11(15)13-9-5
    -3-2-4-8(9)12/h2-6H,12H2,
    1H3,(H,13,15);
    UGYGWUULRFOGSL-UHFFFAOYSA-N    		 Cc1onc(c1)C(=O)Nc2ccccc2N; Cc1cc(no1)C(=
    O)Nc1ccccc1N; Cc1cc(no1)C(=O)Nc2ccccc2N    		 N-(2-aminophenyl)-5-methyl-1,2-oxazole-3-carboxamide
    14544 A1BXA 1 C15 H15 F N6 O6 S2 InChI=1S/C15H15FN6O6S2/c1
    6-30(26,27)28-11-3-1-2-9(
    8-11)13(23)22-14(17)20-15
    (21-22)19-10-4-6-12(7-5-1
    0)29(18,24)25/h1-8,26-27H
    ,(H2,18,24,25)(H3,17,19,2
    0,21);
    VNMSMWQDKZDYKK-UHFFFAOYSA-N    		 c1cc(cc(c1)OS(O)(O)F)C(=O)n2c(nc(n2)Nc3c
    cc(cc3)S(=O)(=O)N)N; O=C(c1cccc(OS(F)(O)
    O)c1)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N; Nc
    1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3cc
    cc(O[S](O)(O)F)c3    		 4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide
    14545 A1BXB
    CHEMBL4069597
    DB11844    		 9 C18 H18 N4 O3 S2 InChI=1S/C18H18N4O3S2/c1-
    12-17(27(19,24)25)26-18(2
    1-12)22(2)16(23)11-13-6-8
    -14(9-7-13)15-5-3-4-10-20
    -15/h3-10H,11H2,1-2H3,(H2
    ,19,24,25);
    IVZKZONQVYTCKC-UHFFFAOYSA-N    		 CN(C(=O)Cc1ccc(cc1)c2ccccn2)c3sc(c(C)n3)
    [S](N)(=O)=O; Cc1nc(sc1S(N)(=O)=O)N(C)C(
    =O)Cc1ccc(cc1)c1ccccn1; Cc1c(sc(n1)N(C)C
    (=O)Cc2ccc(cc2)c3ccccn3)S(=O)(=O)N    		 Pritelivir;
    N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
    14546 A1BXC
    CHEMBL5608063    		 1 C9 H7 Cl N2 InChI=1S/C9H7ClN2/c10-7-2
    -1-3-8-6(7)4-5-9(11)12-8/
    h1-5H,(H2,11,12);
    LFNYFPRSHXRDDH-UHFFFAOYSA-N    		 c1cc2c(ccc(n2)N)c(c1)Cl; Clc1cccc2nc(N)c
    cc12; Nc1ccc2c(Cl)cccc2n1    		 5-chloroquinolin-2-amine
    14547 A1BXD
    CHEMBL4297592
    DB11701    		 6 C24 H26 N4 O5 S InChI=1S/C24H26N4O5S/c1-1
    6-4-3-5-17(2)22(16)28(24(
    30)19-10-12-34(31,32)13-1
    1-19)14-21(29)26-20-8-6-1
    8(7-9-20)23-25-15-33-27-2
    3/h3-9,15,19H,10-14H2,1-2
    H3,(H,26,29);
    MNHNIVNAFBSLLX-UHFFFAOYSA-N    		 Cc1cccc(C)c1N(CC(=O)Nc2ccc(cc2)c3nocn3)C
    (=O)C4CC[S](=O)(=O)CC4; O=S1(=O)CCC(CC1)
    C(=O)N(CC(=O)Nc1ccc(cc1)c1ncon1)c1c(C)cc
    cc1C; Cc1cccc(c1N(CC(=O)Nc2ccc(cc2)c3nco
    n3)C(=O)C4CCS(=O)(=O)CC4)C    		 Amenamevir
    14548 A1BXE
    CHEMBL5599232    		 1 C15 H16 N2 O InChI=1S/C15H16N2O/c1-10-
    4-3-5-12(8-10)15(18)17-14
    -9-13(16)7-6-11(14)2/h3-9
    H,16H2,1-2H3,(H,17,18);
    ICWQDRXFBRYVRL-UHFFFAOYSA-N    		 O=C(Nc1cc(N)ccc1C)c1cccc(C)c1; Cc1cccc(c
    1)C(=O)Nc2cc(ccc2C)N; Cc1cccc(c1)C(=O)Nc
    2cc(N)ccc2C    		 N-(5-amino-2-methylphenyl)-3-methylbenzamide
    14549 A1BXF
    CHEMBL5607512    		 1 C10 H8 Cl2 N2 InChI=1S/C10H8Cl2N2/c1-5-
    4-8(13)6-2-3-7(11)9(12)10
    (6)14-5/h2-4H,1H3,(H2,13,
    14);
    YOXFYSBUBIJKKS-UHFFFAOYSA-N    		 Cc1cc(N)c2ccc(Cl)c(Cl)c2n1; Cc1cc(c2ccc(
    c(c2n1)Cl)Cl)N; Clc1c(Cl)ccc2c(N)cc(C)nc
    12    		 7,8-dichloro-2-methylquinolin-4-amine
    14550 A1BXG
    CHEMBL5607104    		 1 C14 H13 N3 InChI=1S/C14H13N3/c1-9-5-
    6-11(13-8-16-10(2)17-13)1
    2-4-3-7-15-14(9)12/h3-8H,
    1-2H3,(H,16,17);
    CZFYCCZCOKYGFG-UHFFFAOYSA-N    		 Cc1[nH]cc(n1)c2ccc(C)c3ncccc23; Cc1ccc(c
    2c1nccc2)c3c[nH]c(n3)C; Cc1nc(c[NH]1)c1c
    cc(C)c2ncccc12    		 (5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline
    14551 A1BXH
    CHEMBL4847939    		 1 C9 H7 Cl N2 InChI=1S/C9H7ClN2/c10-7-3
    -1-2-6-8(11)4-5-12-9(6)7/
    h1-5H,(H2,11,12);
    OIXSIWQVJINCRY-UHFFFAOYSA-N    		 Nc1ccnc2c(Cl)cccc12; c1cc2c(ccnc2c(c1)Cl
    )N; Clc1cccc2c(N)ccnc12    		 8-chloroquinolin-4-amine
    14552 A1BXI
    CHEMBL5607116    		 1 C13 H14 N2 O2 InChI=1S/C13H14N2O2/c1-8-
    4-3-5-10-11(17-7-12(14)16
    )6-9(2)15-13(8)10/h3-6H,7
    H2,1-2H3,(H2,14,16);
    DHSQEZOXPZSKGH-UHFFFAOYSA-N    		 NC(=O)COc1cc(C)nc2c(C)cccc12; Cc1cccc2c1
    nc(cc2OCC(=O)N)C; Cc1cc(OCC(N)=O)c2cccc(
    C)c2n1    		 2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide
    14553 A1BXJ
    CHEMBL5607924    		 1 C13 H11 N3 O2 InChI=1S/C13H11N3O2/c1-2-
    18-13(17)10-7-16-12-8(6-1
    4)4-3-5-9(12)11(10)15/h3-
    5,7H,2H2,1H3,(H2,15,16);
    QGBFHTFGHPLYKS-UHFFFAOYSA-N    		 CCOC(=O)c1cnc2c(cccc2c1N)C#N; O=C(OCC)c1
    cnc2c(cccc2c1N)C#N    		 ethyl 4-amino-8-cyanoquinoline-3-carboxylate
    14554 A1BXL
    CHEMBL5607743    		 1 C15 H17 N3 O InChI=1S/C15H17N3O/c19-15
    (12-6-9-16-10-7-12)18-13-
    5-1-3-11-4-2-8-17-14(11)1
    3/h1-5,8,12,16H,6-7,9-10H
    2,(H,18,19);
    SKJCEUNRNVCDAV-UHFFFAOYSA-N    		 c1cc2cccnc2c(c1)NC(=O)C3CCNCC3; O=C(Nc1c
    ccc2cccnc21)C1CCNCC1; O=C(Nc1cccc2cccnc1
    2)C3CCNCC3    		 N-(quinolin-8-yl)piperidine-4-carboxamide
    14555 A1BXM 1 C17 H21 N3 O2 InChI=1S/C17H21N3O2/c1-11
    -9-13(10-21)14-3-2-4-15(1
    6(14)19-11)20-17(22)12-5-
    7-18-8-6-12/h2-4,9,12,18,
    21H,5-8,10H2,1H3,(H,20,22
    );
    AGNLJARXPNPVNI-UHFFFAOYSA-N    		 Cc1cc(CO)c2cccc(NC(=O)C3CCNCC3)c2n1; Cc1
    cc(c2cccc(c2n1)NC(=O)C3CCNCC3)CO; O=C(Nc
    1cccc2c1nc(C)cc2CO)C1CCNCC1    		 N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]piperidine-4-carboxamide
    14556 A1BXN
    CHEMBL5607745    		 1 C9 H8 N2 InChI=1S/C9H8N2/c10-9-6-1
    1-5-7-3-1-2-4-8(7)9/h1-6H
    ,10H2;
    ISIUXVGHQFJYHM-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2N; Nc1cncc2ccccc12; Nc1c
    ncc2ccccc21    		 isoquinolin-4-amine
    14557 A1BXO 1 C18 H23 N3 O2 InChI=1S/C18H23N3O2/c1-11
    -9-13(10-22)15-3-2-4-16(1
    7(15)20-11)21-18(23)12-5-
    7-14(19)8-6-12/h2-4,9,12,
    14,22H,5-8,10,19H2,1H3,(H
    ,21,23)/t12-,14?;
    FESPEQJYTGMRLU-WHWAJLOBSA-N    		 Cc1cc(CO)c2cccc(NC(=O)[C@@H]3CC[C@H](N)C
    C3)c2n1; Cc1cc(CO)c2cccc(NC(=O)[CH]3CC[C
    H](N)CC3)c2n1; Cc1cc(c2cccc(c2n1)NC(=O)C
    3CCC(CC3)N)CO; NC1CCC(CC1)C(=O)Nc1cccc2c
    (cc(C)nc12)CO    		 (1r,4r)-4-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclohexane-1-carboxamide
    14558 A1BXP 1 C16 H19 N3 O2 InChI=1S/C16H19N3O2/c1-9-
    5-11(8-20)13-3-2-4-14(15(
    13)18-9)19-16(21)10-6-12(
    17)7-10/h2-5,10,12,20H,6-
    8,17H2,1H3,(H,19,21)/t10-
    ,12-;
    PWESDAOWBFUXFF-UMSPYCQHSA-N    		 NC1CC(C1)C(=O)Nc1cccc2c(cc(C)nc12)CO; Cc
    1cc(CO)c2cccc(NC(=O)[CH]3C[CH](N)C3)c2n1
    ; Cc1cc(c2cccc(c2n1)NC(=O)C3CC(C3)N)CO;
    Cc1cc(CO)c2cccc(NC(=O)[C@H]3C[C@H](N)C3)
    c2n1    		 (1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-carboxamide
    14559 A1BXQ 1 C23 H25 N3 O2 InChI=1S/C23H25N3O2/c1-15
    -11-18(14-27)20-8-4-6-17(
    22(20)25-15)12-16-5-2-3-7
    -21(16)23(28)26-10-9-19(2
    4)13-26/h2-8,11,19,27H,9-
    10,12-14,24H2,1H3/t19-/m1
    /s1;
    YLEIQVSNUNQEJJ-LJQANCHMSA-N    		 Cc1cc(c2cccc(c2n1)Cc3ccccc3C(=O)N4CCC(C4
    )N)CO; Cc1cc(c2cccc(c2n1)Cc3ccccc3C(=O)N
    4CC[C@H](C4)N)CO; Cc1cc(CO)c2cccc(Cc3ccc
    cc3C(=O)N4CC[C@@H](N)C4)c2n1; NC1CCN(C1)
    C(=O)c1ccccc1Cc1cccc2c1nc(C)cc2CO; Cc1cc
    (CO)c2cccc(Cc3ccccc3C(=O)N4CC[CH](N)C4)c
    2n1    		 [(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone
    14560 A1BXR 1 C17 H21 N3 O2 InChI=1S/C17H21N3O2/c1-11
    -7-13(10-21)15-4-2-3-12(1
    7(15)19-11)8-16(22)20-6-5
    -14(18)9-20/h2-4,7,14,21H
    ,5-6,8-10,18H2,1H3/t14-/m
    1/s1;
    UTTANBJRNNPSJV-CQSZACIVSA-N    		 Cc1cc(CO)c2cccc(CC(=O)N3CC[CH](N)C3)c2n1
    ; Cc1cc(c2cccc(c2n1)CC(=O)N3CCC(C3)N)CO;
    Cc1cc(c2cccc(c2n1)CC(=O)N3CC[C@H](C3)N)
    CO; NC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO;
    Cc1cc(CO)c2cccc(CC(=O)N3CC[C@@H](N)C3)c
    2n1    		 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
    14561 A1BXS 1 C18 H23 N3 O2 InChI=1S/C18H23N3O2/c1-12
    -7-15(11-22)16-4-2-3-14(1
    8(16)20-12)8-17(23)21-6-5
    -13(9-19)10-21/h2-4,7,13,
    22H,5-6,8-11,19H2,1H3/t13
    -/m0/s1;
    LTNTUVLYAZVEDA-ZDUSSCGKSA-N    		 NCC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO; Cc
    1cc(c2cccc(c2n1)CC(=O)N3CC[C@H](C3)CN)CO
    ; Cc1cc(CO)c2cccc(CC(=O)N3CC[CH](CN)C3)c
    2n1; Cc1cc(CO)c2cccc(CC(=O)N3CC[C@@H](CN
    )C3)c2n1; Cc1cc(c2cccc(c2n1)CC(=O)N3CCC(
    C3)CN)CO    		 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
    14562 A1BXT 1 C40 H73 O10 P InChI=1S/C40H73O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    1-23-25-27-29-31-39(43)47
    -35-38(36-49-51(45,46)48-
    34-37(42)33-41)50-40(44)3
    2-30-28-26-24-22-19-16-14
    -12-10-8-6-4-2/h7,9,12,14
    ,17-18,37-38,41-42H,3-6,8
    ,10-11,13,15-16,19-36H2,1
    -2H3,(H,45,46)/b9-7+,14-1
    2+,18-17+/t37-,38-/m1/s1;
    UAKNDDGOSJFMJQ-JMBLMXHZSA-N    		 CCCCC/C=C/CCCCCCCCC(=O)O[C@H](COC(=O)CCC
    CCCC/C=C/CCC/C=C/CCC)COP(=O)(O)OC[C@@H](
    CO)O; CCCCCC=CCCCCCCCCC(=O)OC(COC(=O)CCC
    CCCCC=CCCCC=CCCC)COP(=O)(O)OCC(CO)O; CCC
    CC\C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC
    C\C=C\CCC/C=C/CCC)CO[P](O)(=O)OC[C@H](O)
    CO; CCCCCC=CCCCCCCCCC(=O)O[CH](COC(=O)CC
    CCCCCC=CCCCC=CCCC)CO[P](O)(=O)OC[CH](O)C
    O; O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCC
    CCC\C=C\CCC\C=C\CCC)CCCCCCCC\C=C\CCCCC    		 (2R)-3-{[(S)-[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-{[(10E)-hexadec-10-enoyl]oxy}propyl (9E,14E)-octadeca-9,14-dienoate
    14563 A1BXV
    CHEMBL5608065    		 2 C19 H25 N3 O2 InChI=1S/C19H25N3O2/c1-13
    -11-15(12-23)16-3-2-4-17(
    19(16)21-13)22-18(24)6-5-
    14-7-9-20-10-8-14/h2-4,11
    ,14,20,23H,5-10,12H2,1H3,
    (H,22,24);
    YOACLWXNCLINNH-UHFFFAOYSA-N    		 Cc1cc(c2cccc(c2n1)NC(=O)CCC3CCNCC3)CO; C
    c1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1; Cc
    1cc(CO)c2cccc(NC(=O)CCC3CCNCC3)c2n1    		 N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
    14564 A1BXW 2 C22 H21 N3 O2 InChI=1S/C22H21N3O2/c1-25
    -19-11-12-23-22(24-15-7-6
    -8-16(13-15)26-2)18(19)14
    -20(25)17-9-4-5-10-21(17)
    27-3/h4-14H,1-3H3,(H,23,2
    4);
    UQASDSGYXMMHAO-UHFFFAOYSA-N    		 COc1cccc(Nc2nccc3n(C)c(cc23)c4ccccc4OC)c
    1; COc1cccc(c1)Nc1nccc2c1cc(c1ccccc1OC)n
    2C; Cn1c2ccnc(c2cc1c3ccccc3OC)Nc4cccc(c4
    )OC    		 (2P)-2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
    14565 A1BXX 2 C20 H16 F3 N5 O2 InChI=1S/C20H16F3N5O2/c1-
    2-19(9-11-25-17(19)29)18-
    28-27-16(30-18)15-14(4-3-
    10-24-15)26-13-7-5-12(6-8
    -13)20(21,22)23/h2-8,10,2
    6H,1,9,11H2,(H,25,29)/t19
    -/m1/s1;
    ILVSMHUPTDSWHW-LJQANCHMSA-N    		 C=CC1(CCNC1=O)c2nnc(o2)c3c(cccn3)Nc4ccc(
    cc4)C(F)(F)F; FC(F)(F)c1ccc(Nc2cccnc2c3o
    c(nn3)[C]4(CCNC4=O)C=C)cc1; C=C[C@]1(CCN
    C1=O)c2nnc(o2)c3c(cccn3)Nc4ccc(cc4)C(F)(
    F)F; FC(F)(F)c1ccc(cc1)Nc1cccnc1c1nnc(o1
    )C1(CCNC1=O)C=C; FC(F)(F)c1ccc(Nc2cccnc2
    c3oc(nn3)[C@@]4(CCNC4=O)C=C)cc1    		 (3R)-3-ethenyl-3-(5-{3-[4-(trifluoromethyl)anilino]pyridin-2-yl}-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
    14566 A1BXY
    CHEMBL1213530    		 7 C3 H2 O2 InChI=1S/C3H2O2/c1-2-3(4)
    5/h1H,(H,4,5);
    UORVCLMRJXCDCP-UHFFFAOYSA-N    		 C#CC(=O)O; OC(=O)C#C prop-2-ynoic acid
    14567 A1BXZ 1 C11 H12 N4 O S InChI=1S/C11H12N4OS/c16-1
    1(8-3-4-13-15-8)12-5-10-1
    4-9(6-17-10)7-1-2-7/h3-4,
    6-7H,1-2,5H2,(H,12,16)(H,
    13,15);
    JGYUOEDSKCUYRY-UHFFFAOYSA-N    		 O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1; c1c[nH]
    nc1C(=O)NCc2nc(cs2)C3CC3; O=C(NCc1scc(n1
    )C2CC2)c3cc[nH]n3    		 N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
    14568 A1BY1 1 C21 H14 Br N3 O2 InChI=1S/C21H14BrN3O2/c22
    -14-6-7-18-16(10-14)20(26
    )19(21(27)25(18)9-3-8-23)
    17-12-24-11-13-4-1-2-5-15
    (13)17/h1-2,4-7,10-12,27H
    ,3,9H2;
    XFSOOCWYYCILLD-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2C3=C(N(c4ccc(cc4C3=O)Br)
    CCC#N)O; OC1=C(C(=O)c2cc(Br)ccc2N1CCC#N)
    c3cncc4ccccc34; Brc1ccc2c(c1)C(=O)C(=C(O
    )N2CCC#N)c1cncc2ccccc21    		 3-[(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)-4-oxoquinolin-1(4H)-yl]propanenitrile
    14569 A1BY2 1 C18 H11 Br N2 O2 InChI=1S/C18H11BrN2O2/c19
    -11-5-6-15-13(7-11)17(22)
    16(18(23)21-15)14-9-20-8-
    10-3-1-2-4-12(10)14/h1-9H
    ,(H2,21,22,23);
    JGLHSEXDGKIYJL-UHFFFAOYSA-N    		 Brc1ccc2NC(O)=C(C(=O)c2c1)c1cncc2ccccc21
    ; c1ccc2c(c1)cncc2C3=C(Nc4ccc(cc4C3=O)Br
    )O; OC1=C(C(=O)c2cc(Br)ccc2N1)c3cncc4ccc
    cc34    		 (3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)quinolin-4(1H)-one
    14570 A1BY3 1 C26 H14 F3 N3 O2 InChI=1S/C26H14F3N3O2/c27
    -26(28,29)16-9-19(17-7-3-
    1-5-14(17)11-30)23-20(10-
    16)24(33)22(25(34)32-23)2
    1-13-31-12-15-6-2-4-8-18(
    15)21/h1-10,12-13H,(H2,32
    ,33,34);
    OVIKUGQRZXVXHK-UHFFFAOYSA-N    		 OC1=C(C(=O)c2cc(cc(c2N1)c3ccccc3C#N)C(F)
    (F)F)c4cncc5ccccc45; c1ccc2c(c1)cncc2C3=
    C(Nc4c(cc(cc4C3=O)C(F)(F)F)c5ccccc5C#N)O
    ; FC(F)(F)c1cc(c2NC(O)=C(C(=O)c2c1)c1cnc
    c2ccccc21)c1ccccc1C#N    		 (2M)-2-[(3P)-2-hydroxy-3-(isoquinolin-4-yl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinolin-8-yl]benzonitrile
    14571 A1BY4 2 C24 H15 F3 N4 O2 InChI=1S/C24H15F3N4O2/c25
    -24(26,27)14-7-16(13-5-6-
    19(28)30-10-13)21-17(8-14
    )22(32)20(23(33)31-21)18-
    11-29-9-12-3-1-2-4-15(12)
    18/h1-11H,(H2,28,30)(H2,3
    1,32,33);
    PVTAFZSWMAAUSR-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2C3=C(Nc4c(cc(cc4C3=O)C(F
    )(F)F)c5ccc(nc5)N)O; Nc1ccc(cn1)c2cc(cc3
    C(=O)C(=C(O)Nc23)c4cncc5ccccc45)C(F)(F)F
    ; FC(F)(F)c1cc(c2NC(O)=C(C(=O)c2c1)c1cnc
    c2ccccc21)c1ccc(N)nc1    		 (3P,8M)-8-(6-aminopyridin-3-yl)-2-hydroxy-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one
    14572 A1BY5 2 C23 H16 F3 N3 O2 InChI=1S/C23H16F3N3O2/c24
    -23(25,26)14-7-16(13-5-6-
    27-9-13)20-17(8-14)21(30)
    19(22(31)29-20)18-11-28-1
    0-12-3-1-2-4-15(12)18/h1-
    5,7-8,10-11,27H,6,9H2,(H2
    ,29,30,31);
    ZQKBFPSKAQOMAH-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2C3=C(Nc4c(cc(cc4C3=O)C(F
    )(F)F)C5=CCNC5)O; FC(F)(F)c1cc(c2NC(O)=C
    (c3cncc4ccccc43)C(=O)c2c1)C1=CCNC1; OC1=
    C(C(=O)c2cc(cc(C3=CCNC3)c2N1)C(F)(F)F)c4
    cncc5ccccc45    		 (3P,8P)-8-(2,5-dihydro-1H-pyrrol-3-yl)-2-hydroxy-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one
    14573 A1BY6 1 C24 H18 F3 N3 O2 InChI=1S/C24H18F3N3O2/c25
    -24(26,27)15-9-17(13-5-7-
    28-8-6-13)21-18(10-15)22(
    31)20(23(32)30-21)19-12-2
    9-11-14-3-1-2-4-16(14)19/
    h1-5,9-12,28H,6-8H2,(H2,3
    0,31,32);
    GRJHTDXKCMAYTI-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2C3=C(Nc4c(cc(cc4C3=O)C(F
    )(F)F)C5=CCNCC5)O; FC(F)(F)c1cc(c2NC(O)=
    C(c3cncc4ccccc43)C(=O)c2c1)C1=CCNCC1; OC
    1=C(C(=O)c2cc(cc(C3=CCNCC3)c2N1)C(F)(F)F
    )c4cncc5ccccc45    		 (3P,8P)-2-hydroxy-3-(isoquinolin-4-yl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one
    14574 A1BY7 1 C19 H24 Cl N3 O3 InChI=1S/C19H24ClN3O3/c1-
    12(2)26-19(25)22-14-5-8-2
    3(9-6-14)11-13-10-16(20)1
    5-4-3-7-21-17(15)18(13)24
    /h3-4,7,10,12,14,24H,5-6,
    8-9,11H2,1-2H3,(H,22,25);
    CWIXCQOSULUGBT-UHFFFAOYSA-N    		 CC(C)OC(=O)NC1CCN(CC1)Cc2cc(c3cccnc3c2O)
    Cl; CC(C)OC(=O)NC1CCN(Cc2cc(Cl)c3cccnc3c
    2O)CC1; CC(C)OC(=O)NC1CCN(CC1)Cc2cc(Cl)c
    3cccnc3c2O    		 propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate
    14575 A1BY8 6 C27 H53 Br N3 O8 P InChI=1S/C27H53BrN3O8P/c1
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-22(28)25(34)31-2
    0-19-29-23(32)17-18-30-26
    (35)24(33)27(2,3)21-39-40
    (36,37)38/h22,24,33H,4-21
    H2,1-3H3,(H,29,32)(H,30,3
    5)(H,31,34)(H2,36,37,38)/
    t22-,24-/m0/s1;
    WRZPJKRMVZRMQR-UPVQGACJSA-N    		 CCCCCCCCCCCCCC[C@@H](C(=O)NCCNC(=O)CCNC(
    =O)[C@@H](C(C)(C)COP(=O)(O)O)O)Br; O=P(O
    )(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C
    (Br)CCCCCCCCCCCCCC; CCCCCCCCCCCCCC[CH](B
    r)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO
    [P](O)(O)=O; CCCCCCCCCCCCCC[C@H](Br)C(=O
    )NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O
    )(O)=O; CCCCCCCCCCCCCCC(C(=O)NCCNC(=O)CC
    NC(=O)C(C(C)(C)COP(=O)(O)O)O)Br    		 C16 alpha-bromoamide
    14576 A1BY9 1 C13 H10 F3 N3 O2 InChI=1S/C13H10F3N3O2/c14
    -13(15,16)8-3-9(10-5-17-6
    -21-10)18-11(4-8)19-12(20
    )7-1-2-7/h3-7H,1-2H2,(H,1
    8,19,20);
    ZFIYGIJALJMZIZ-UHFFFAOYSA-N    		 FC(F)(F)c1cc(nc(c1)c1cnco1)NC(=O)C1CC1;
    c1c(cc(nc1c2cnco2)NC(=O)C3CC3)C(F)(F)F;
    FC(F)(F)c1cc(NC(=O)C2CC2)nc(c1)c3ocnc3    		 N-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)pyridin-2-yl]cyclopropanecarboxamide
    14577 A1BYA 2 C11 H10 F N3 O2 InChI=1S/C11H10FN3O2/c1-6
    -5-9(15-17-6)11(16)14-8-4
    -2-3-7(12)10(8)13/h2-5H,1
    3H2,1H3,(H,14,16);
    VRNPHRZXBJLCAZ-UHFFFAOYSA-N    		 Cc1cc(no1)C(=O)Nc2cccc(c2N)F; Cc1onc(c1)
    C(=O)Nc2cccc(F)c2N; Cc1cc(no1)C(=O)Nc1cc
    cc(F)c1N    		 N-(2-amino-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
    14578 A1BYB 17 C15 H11 Cl N2 O3 InChI=1S/C15H11ClN2O3/c16
    -9-4-5-12(19)8(6-9)7-17-1
    1-3-1-2-10-13(11)15(21)18
    -14(10)20/h1-6,17,19H,7H2
    ,(H,18,20,21);
    CZLWMHAQTORHPT-UHFFFAOYSA-N    		 c1cc2c(c(c1)NCc3cc(ccc3O)Cl)C(=O)NC2=O;
    Oc1ccc(Cl)cc1CNc2cccc3C(=O)NC(=O)c23; Cl
    c1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1    		 4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
    14579 A1BYC 18 C15 H11 Br N2 O3 InChI=1S/C15H11BrN2O3/c16
    -9-4-5-12(19)8(6-9)7-17-1
    1-3-1-2-10-13(11)15(21)18
    -14(10)20/h1-6,17,19H,7H2
    ,(H,18,20,21);
    ICZMDDCYEUQOMT-UHFFFAOYSA-N    		 c1cc2c(c(c1)NCc3cc(ccc3O)Br)C(=O)NC2=O;
    Oc1ccc(Br)cc1CNc2cccc3C(=O)NC(=O)c23; Br
    c1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1    		 4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
    14580 A1BYD 1 C31 H39 N7 O2 InChI=1S/C31H39N7O2/c1-6-
    29(39)33-23-19-24(28(40-5
    )20-27(23)37(4)18-17-36(2
    )3)35-31-32-15-14-22(34-3
    1)30-21-11-7-8-12-25(21)3
    8-16-10-9-13-26(30)38/h7-
    8,11-12,14-15,19-20H,6,9-
    10,13,16-18H2,1-5H3,(H,33
    ,39)(H,32,34,35);
    MEDBOUCOFFVBAU-UHFFFAOYSA-N    		 CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc
    (n1)c1c2ccccc2n2CCCCc12; CCC(=O)Nc1cc(c(
    cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3c4ccccc4n
    5c3CCCC5; CCC(=O)Nc1cc(Nc2nccc(n2)c3c4CC
    CCn4c5ccccc35)c(OC)cc1N(C)CCN(C)C    		 Oritinib, bound form
    14581 A1BYF 1 C16 H21 N5 O S InChI=1S/C16H21N5OS/c22-1
    6(18-8-15-19-14(9-23-15)1
    1-3-4-11)13-5-12(20-21-13
    )7-17-6-10-1-2-10/h5,9-11
    ,17H,1-4,6-8H2,(H,18,22)(
    H,20,21);
    SFATUIRQTKFPPJ-UHFFFAOYSA-N    		 c1c([nH]nc1C(=O)NCc2nc(cs2)C3CC3)CNCC4CC
    4; O=C(NCc1scc(n1)C2CC2)c3cc(CNCC4CC4)[n
    H]n3; O=C(NCc1nc(cs1)C1CC1)c1cc(CNCC2CC2
    )[NH]n1    		 5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
    14582 A1BYG 1 C10 H8 N4 O S InChI=1S/C10H8N4OS/c1-2-9
    -13-7(6-16-9)5-11-10(15)8
    -3-4-12-14-8/h1,3-4,6H,5H
    2,(H,11,15)(H,12,14);
    QZZKYRHBNYHOGS-UHFFFAOYSA-N    		 C#Cc1nc(cs1)CNC(=O)c2cc[nH]n2; O=C(NCc1c
    sc(n1)C#C)c2cc[nH]n2; C#Cc1nc(CNC(=O)c2c
    c[NH]n2)cs1    		 N-[(2-ethynyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
    14583 A1BYH 1 C18 H28 O2 InChI=1S/C18H28O2/c19-16-
    12-7-5-3-1-2-4-6-8-13-17-
    20-18-14-10-9-11-15-18/h7
    ,9-12,14-15,19H,1-6,8,13,
    16-17H2;
    FYHKQZDCHQMJGE-UHFFFAOYSA-N    		 c1ccc(cc1)OCCCCCCCCCC=CCO; OCC=CCCCCCCCC
    COc1ccccc1; OC\C=C\CCCCCCCCCOc1ccccc1; c
    1ccc(cc1)OCCCCCCCCC/C=C/CO    		 (2E)-12-phenoxydodec-2-en-1-ol
    14584 A1BYI 1 C14 H13 N5 O S InChI=1S/C14H13N5OS/c1-19
    -8-10(7-16-19)12-9-21-14(
    17-12)18-13(20)6-11-4-2-3
    -5-15-11/h2-5,7-9H,6H2,1H
    3,(H,17,18,20);
    WSCNLEAKCHOALM-UHFFFAOYSA-N    		 Cn1cc(cn1)c2csc(n2)NC(=O)Cc3ccccn3; Cn1c
    c(cn1)c2csc(NC(=O)Cc3ccccn3)n2; O=C(Nc1n
    c(cs1)c1cn(C)nc1)Cc1ccccn1    		 N-[(4M)-4-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-2-(pyridin-2-yl)acetamide
    14585 A1BYK 1 C28 H33 F3 N8 O2 InChI=1S/C28H33F3N8O2/c1-
    6-24(40)33-21-15-22(26(41
    -17-28(29,30)31)36-25(21)
    38(4)14-13-37(2)3)35-27-3
    2-12-11-20(34-27)19-16-39
    (5)23-10-8-7-9-18(19)23/h
    7-12,15-16H,6,13-14,17H2,
    1-5H3,(H,33,40)(H,32,34,3
    5);
    GAOWQJSMJRWONJ-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(nc1N(C)CCN(C)C)OCC(F)(F)F
    )Nc2nccc(n2)c3cn(c4c3cccc4)C; CCC(=O)Nc1
    cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OCC(F)(
    F)F)nc1N(C)CCN(C)C; CN(C)CCN(C)c1nc(OCC(
    F)(F)F)c(cc1NC(=O)CC)Nc1nccc(n1)c1cn(C)c
    2ccccc21    		 Alflutinib, bound form
    14586 A1BYL 1 C30 H37 N7 O2 InChI=1S/C30H37N7O2/c1-6-
    29(38)32-24-17-25(28(39-5
    )18-27(24)36(4)16-15-35(2
    )3)34-30-31-14-13-23(33-3
    0)22-19-37(20-11-12-20)26
    -10-8-7-9-21(22)26/h7-10,
    13-14,17-20H,6,11-12,15-1
    6H2,1-5H3,(H,32,38)(H,31,
    33,34);
    FBRYXFGDUYYXEG-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc
    (n2)c3cn(c4c3cccc4)C5CC5; CN(C)CCN(C)c1c
    c(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1cn(c2ccc
    cc21)C1CC1; CCC(=O)Nc1cc(Nc2nccc(n2)c3cn
    (C4CC4)c5ccccc35)c(OC)cc1N(C)CCN(C)C    		 Almonertinib, bound form
    14587 A1BYN 1 C29 H34 F3 N7 O2 InChI=1S/C29H34F3N7O2/c1-
    6-27(40)34-22-15-23(26(41
    -5)16-25(22)38(4)14-13-37
    (2)3)36-28-33-12-11-21(35
    -28)20-17-39(18-29(30,31)
    32)24-10-8-7-9-19(20)24/h
    7-12,15-17H,6,13-14,18H2,
    1-5H3,(H,34,40)(H,33,35,3
    6);
    IGKYGCHLPDPQHJ-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc
    (n2)c3cn(c4c3cccc4)CC(F)(F)F; CN(C)CCN(C
    )c1cc(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1cn(C
    C(F)(F)F)c2ccccc21; CCC(=O)Nc1cc(Nc2nccc
    (n2)c3cn(CC(F)(F)F)c4ccccc34)c(OC)cc1N(C
    )CCN(C)C    		 Befotertinib, bound form
    14588 A1BYO 1 C29 H34 Cl N7 O2 InChI=1S/C29H34ClN7O2/c1-
    6-27(38)33-23-16-24(26(39
    -5)17-25(23)37(4)14-13-36
    (2)3)34-29-31-18-22(30)28
    (35-29)32-21-12-11-19-9-7
    -8-10-20(19)15-21/h7-12,1
    5-18H,6,13-14H2,1-5H3,(H,
    33,38)(H2,31,32,34,35);
    ANMRFDWESUKWDW-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(
    c(n2)Nc3ccc4ccccc4c3)Cl; CN(C)CCN(C)c1cc
    (OC)c(Nc2nc(Nc3cc4ccccc4cc3)c(Cl)cn2)cc1
    NC(=O)CC; CCC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3cc
    c4ccccc4c3)n2)c(OC)cc1N(C)CCN(C)C    		 Limertinib. bound form
    14589 A1BYP 3 C10 H F19 O5 InChI=1S/C10HF19O5/c11-2(
    12,1(30)31)32-7(22,23)8(2
    4,25)34-10(28,29)9(26,27)
    33-6(20,21)4(15,16)3(13,1
    4)5(17,18)19/h(H,30,31);
    GDQLSTSWOFAQNO-UHFFFAOYSA-N    		 C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(
    F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O; OC(
    =O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)
    OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F; FC(F)(OC
    (F)(F)C(F)(F)OC(F)(F)C(=O)O)C(F)(F)OC(F)
    (F)C(F)(F)C(F)(F)C(F)(F)F    		 difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid
    14590 A1BYS 1 C27 H34 N8 O2 InChI=1S/C27H34N8O2/c1-7-
    25(36)30-20-15-21(24(37-6
    )16-22(20)34(5)14-13-33(3
    )4)32-27-28-11-10-19(31-2
    7)23-17-29-26-18(2)9-8-12
    -35(23)26/h8-12,15-17H,7,
    13-14H2,1-6H3,(H,30,36)(H
    ,28,31,32);
    XQQWWBLOZZFKTL-UHFFFAOYSA-N    		 CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc
    (n1)c1cnc2c(C)cccn12; CCC(=O)Nc1cc(c(cc1
    N(C)CCN(C)C)OC)Nc2nccc(n2)c3cnc4n3cccc4C
    ; CCC(=O)Nc1cc(Nc2nccc(n2)c3cnc4n3cccc4C
    )c(OC)cc1N(C)CCN(C)C    		 N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide
    14591 A1BYT 1 C14 H13 N5 O S InChI=1S/C14H13N5OS/c20-1
    4(12-9-2-1-5-15-13(9)19-1
    8-12)16-6-11-17-10(7-21-1
    1)8-3-4-8/h1-2,5,7-8H,3-4
    ,6H2,(H,16,20)(H,15,18,19
    );
    NPIYFDZRXNUFFI-UHFFFAOYSA-N    		 O=C(NCc1scc(n1)C2CC2)c3n[nH]c4ncccc34; O
    =C(NCc1nc(cs1)C1CC1)c1n[NH]c2ncccc21; c1
    cc2c(n[nH]c2nc1)C(=O)NCc3nc(cs3)C4CC4    		 N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
    14592 A1BYU
    CHEMBL5560556    		 1 C16 H22 N3 O4 P InChI=1S/C16H22N3O4P/c1-2
    3-14-4-2-3-13-15(14)17-11
    -18-16(13)19-8-5-12(6-9-1
    9)7-10-24(20,21)22/h2-4,1
    1-12H,5-10H2,1H3,(H2,20,2
    1,22);
    IXXUGBPAQOKGTM-UHFFFAOYSA-N    		 COc1cccc2c1ncnc2N3CCC(CC3)CCP(=O)(O)O; C
    Oc1cccc2c(ncnc12)N3CCC(CC3)CC[P](O)(O)=O
    ; O=P(O)(O)CCC1CCN(CC1)c1ncnc2c1cccc2OC    		 {2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
    14593 A1BYV 2 C7 H6 N2 O S InChI=1S/C7H6N2OS/c8-7-9-
    6(4-11-7)5-1-2-10-3-5/h1-
    4H,(H2,8,9);
    WPZVPERRFWQXFN-UHFFFAOYSA-N    		 Nc1nc(cs1)c1cocc1; c1cocc1c2csc(n2)N; Nc
    1scc(n1)c2cocc2    		 (4P)-4-(furan-3-yl)-1,3-thiazol-2-amine
    14594 A1BYW 1 C13 H8 N4 O S InChI=1S/C13H8N4OS/c18-8-
    2-3-10-11(6-8)19-13(16-10
    )9-7-15-17-5-1-4-14-12(9)
    17/h1-7,18H;
    NZNYDSCZDDLISB-UHFFFAOYSA-N    		 Oc1ccc2nc(sc2c1)c3cnn4cccnc34; c1cnc2c(c
    nn2c1)c3nc4ccc(cc4s3)O; Oc1ccc2nc(sc2c1)
    c1cnn2cccnc21    		 2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazol-6-ol
    14595 A1BYX 2 C22 H20 Cl N3 O3 InChI=1S/C22H20ClN3O3/c1-
    26-12-11-15(25-26)13-29-1
    6-7-5-14(6-8-16)17-3-2-4-
    18(21(17)23)19-9-10-20(27
    )24-22(19)28/h2-8,11-12,1
    9H,9-10,13H2,1H3,(H,24,27
    ,28)/t19-/m1/s1;
    ATFVRCNMKWLFKW-LJQANCHMSA-N    		 Cn1ccc(n1)COc2ccc(cc2)c3cccc(c3Cl)[C@H]4
    CCC(=O)NC4=O; Cn1ccc(n1)COc2ccc(cc2)c3cc
    cc(c3Cl)C4CCC(=O)NC4=O; Cn1ccc(COc2ccc(c
    c2)c2cccc(C3CCC(=O)NC3=O)c2Cl)n1; Cn1ccc
    (COc2ccc(cc2)c3cccc([CH]4CCC(=O)NC4=O)c3
    Cl)n1; Cn1ccc(COc2ccc(cc2)c3cccc([C@H]4C
    CC(=O)NC4=O)c3Cl)n1    		 (3R)-3-{2-chloro-4'-[(1-methyl-1H-pyrazol-3-yl)methoxy][1,1'-biphenyl]-3-yl}piperidine-2,6-dione
    14596 A1BYY 1 C22 H16 Cl N7 O2 S InChI=1S/C22H16ClN7O2S/c2
    3-19-12-17(8-7-16(19)13-2
    5)27-22-28-21(26)30(29-22
    )33(31,32)20-5-1-4-15-11-
    14(3-2-10-24)6-9-18(15)20
    /h1,4-9,11-12H,2-3H2,(H3,
    26,27,28,29);
    YLHDIFMTTOCZFP-UHFFFAOYSA-N    		 c1cc2cc(ccc2c(c1)S(=O)(=O)n3c(nc(n3)Nc4c
    cc(c(c4)Cl)C#N)N)CCC#N; Nc1nc(Nc2ccc(C#N
    )c(Cl)c2)nn1[S](=O)(=O)c3cccc4cc(CCC#N)c
    cc34; O=S(=O)(c1cccc2cc(CCC#N)ccc21)n1nc
    (Nc2ccc(C#N)c(Cl)c2)nc1N    		 4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile
    14597 A1BYZ
    CHEMBL1064
    DB00641    		 16 C25 H38 O5 InChI=1S/C25H38O5/c1-6-25
    (4,5)24(28)30-21-12-15(2)
    11-17-8-7-16(3)20(23(17)2
    1)10-9-19-13-18(26)14-22(
    27)29-19/h7-8,11,15-16,18
    -21,23,26H,6,9-10,12-14H2
    ,1-5H3/t15-,16-,18+,19+,2
    0-,21-,23-/m0/s1;
    RYMZZMVNJRMUDD-HGQWONQESA-N    		 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC
    3CC(CC(=O)O3)O)C; CCC(C)(C)C(=O)O[CH]1C[
    CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)
    CC(=O)O3)[CH]12; CC(C)(CC)C(=O)OC1CC(C)C
    =C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12; CCC(C
    )(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C
    )[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H
    ]12; CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@
    H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC
    (=O)O3)O)C    		 Simvastatin;
    (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
    14598 A1BZ0 1 C31 H30 Cl N5 O2 InChI=1S/C31H30ClN5O2/c32
    -28-17-21(7-9-24(28)22-5-
    2-1-3-6-22)19-34-13-4-12-
    33-15-16-36-30-26-11-14-3
    5-20-27(26)25-10-8-23(31(
    38)39)18-29(25)37-30/h1-3
    ,5-11,14,17-18,20,33-34H,
    4,12-13,15-16,19H2,(H,36,
    37)(H,38,39);
    UUMULXMLFUHPOL-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2Cl)CNCCCNCCNc3c4ccncc
    4c5ccc(cc5n3)C(=O)O; O=C(O)c1cc2nc(NCCNC
    CCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1
    ; OC(=O)c1ccc2c(c1)nc(NCCNCCCNCc3ccc(c(C
    l)c3)c4ccccc4)c5ccncc25    		 5-({2-[(3-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}propyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid
    14599 A1BZ1 1 C32 H30 Cl N5 O3 InChI=1S/C32H30ClN5O3/c33
    -28-17-21(7-9-24(28)22-5-
    2-1-3-6-22)19-34-16-12-30
    (39)36-13-4-14-37-31-26-1
    1-15-35-20-27(26)25-10-8-
    23(32(40)41)18-29(25)38-3
    1/h1-3,5-11,15,17-18,20,3
    4H,4,12-14,16,19H2,(H,36,
    39)(H,37,38)(H,40,41);
    BWLPEACXWIKMOE-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3c4
    ccncc4c5ccc(cc5n3)C(=O)O; Clc1cc(ccc1c1c
    cccc1)CNCCC(=O)NCCCNc1nc2cc(ccc2c2cnccc1
    2)C(=O)O; OC(=O)c1ccc2c(c1)nc(NCCCNC(=O)
    CCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25    		 5-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}benzo[c][2,6]naphthyridine-8-carboxylic acid
    14600 A1BZ2 1 C30 H28 Cl N5 O2 InChI=1S/C30H28ClN5O2/c31
    -27-16-20(6-8-23(27)21-4-
    2-1-3-5-21)18-34-13-12-32
    -14-15-35-29-25-10-11-33-
    19-26(25)24-9-7-22(30(37)
    38)17-28(24)36-29/h1-11,1
    6-17,19,32,34H,12-15,18H2
    ,(H,35,36)(H,37,38);
    NUZZUWIZRAPOCJ-UHFFFAOYSA-N    		 OC(=O)c1ccc2c(c1)nc(NCCNCCNCc3ccc(c(Cl)c
    3)c4ccccc4)c5ccncc25; c1ccc(cc1)c2ccc(cc
    2Cl)CNCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
    ; O=C(O)c1cc2nc(NCCNCCNCc3ccc(c4ccccc4)c
    (Cl)c3)c3ccncc3c2cc1    		 5-({2-[(2-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}ethyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).