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

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    24601 ILE
    CHEMBL1233584
    DB00167
    ZINC000003581355    		 111 C6 H13 N O2 InChI=1S/C6H13NO2/c1-3-4(
    2)5(7)6(8)9/h4-5H,3,7H2,1
    -2H3,(H,8,9)/t4-,5-/m0/s1;
    AGPKZVBTJJNPAG-WHFBIAKZSA-N    		 CC[C@H](C)[C@@H](C(=O)O)N; CCC(C)C(C(=O)
    O)N; CC[CH](C)[CH](N)C(O)=O; O=C(O)C(N)C
    (C)CC; CC[C@H](C)[C@H](N)C(O)=O    		 ISOLEUCINE
    24602 ILF
    CHEMBL202431
    DB07977
    ZINC000013681618    		 1 C19 H10 F5 N O4 S InChI=1S/C19H10F5NO4S/c20
    -13-7-10(9-2-1-3-11(6-9)2
    9-19(22,23)24)8-14(21)15(
    13)25-17(26)12-4-5-30-16(
    12)18(27)28/h1-8H,(H,25,2
    6)(H,27,28);
    CGNHUSCKOHDSMR-UHFFFAOYSA-N    		 c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O
    )c3ccsc3C(=O)O)F; O=C(O)c3sccc3C(=O)Nc2c
    (F)cc(c1cccc(OC(F)(F)F)c1)cc2F; OC(=O)c1
    sccc1C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)
    F)c3    		 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID
    24603 ILG 0 C5 H10 N O3 InChI=1S/C5H9NO3/c6-4(5(8
    )9)2-1-3-7/h3-4H,1-2,6H2,
    (H,8,9)/p+1/t4-/m0/s1;
    KABXUUFDPUOJMW-BYPYZUCNSA-O    		 O=CCCC(C(=O)O)[NH3+]; C(CC(C(=O)O)[NH3+]
    )C=O; C(C[C@@H](C(=O)O)[NH3+])C=O; [NH3+
    ][CH](CCC=O)C(O)=O; [NH3+][C@@H](CCC=O)C
    (O)=O    		 GLUTAMYL GROUP
    24604 ILH
    DB07978
    ZINC000038450875    		 1 C20 H10 F7 N O4 InChI=1S/C20H10F7NO4/c21-
    13-12(8-3-1-4-9(7-8)32-20
    (25,26)27)14(22)16(24)17(
    15(13)23)28-18(29)10-5-2-
    6-11(10)19(30)31/h1-5,7H,
    6H2,(H,28,29)(H,30,31);
    ULMUPVXFUDHRGH-UHFFFAOYSA-N    		 OC(=O)C1=C(C=CC1)C(=O)Nc2c(F)c(F)c(c(F)c
    2F)c3cccc(OC(F)(F)F)c3; c1cc(cc(c1)OC(F)
    (F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(
    =O)O)F)F; O=C(O)C3=C(C(=O)Nc2c(F)c(F)c(c
    1cccc(OC(F)(F)F)c1)c(F)c2F)C=CC3    		 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID
    24605 ILI
    ZINC000058638343    		 2 C27 H32 N4 O6 S InChI=1S/C27H32N4O6S/c1-1
    7(2)14-21(30-27(34)24-15-
    19-8-4-5-9-23(19)37-24)26
    (33)29-20-12-11-18(3)31(1
    6-22(20)32)38(35,36)25-10
    -6-7-13-28-25/h4-13,15,17
    -18,20-22,32H,14,16H2,1-3
    H3,(H,29,33)(H,30,34)/t18
    -,20+,21+,22+/m1/s1;
    IJRITYSDIWFZKF-GBAJDQEWSA-N    		 O=S(=O)(c1ncccc1)N4C(C=CC(NC(=O)C(NC(=O)
    c3oc2ccccc2c3)CC(C)C)C(O)C4)C; CC1C=CC(C
    (CN1S(=O)(=O)c2ccccn2)O)NC(=O)C(CC(C)C)N
    C(=O)c3cc4ccccc4o3; C[C@@H]1C=C[C@@H]([C
    @H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](C
    C(C)C)NC(=O)c3cc4ccccc4o3; CC(C)C[CH](NC
    (=O)c1oc2ccccc2c1)C(=O)N[CH]3C=C[CH](C)N
    (C[CH]3O)[S](=O)(=O)c4ccccn4; CC(C)C[C@H
    ](NC(=O)c1oc2ccccc2c1)C(=O)N[C@H]3C=C[C@
    @H](C)N(C[C@@H]3O)[S](=O)(=O)c4ccccn4    		 N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE
    24606 ILJ 2 C34 H43 Cl N3 O5 Si InChI=1S/C34H42ClN3O5Si/c
    1-37-25-10-13-28-31(22-25
    )44(2,3)30-21-24(36)9-12-
    27(30)32(28)29-20-23(8-11
    -26(29)34(40)41)33(39)38-
    15-17-43-19-18-42-16-7-5-
    4-6-14-35/h8-13,20-22H,4-
    7,14-19,36H2,1-3H3,(H,38,
    39)(H,40,41)/p+1/b37-25+;
    HVINIPVEAAMTAU-AUGOTPMTSA-O    		 C[NH+]=C1C=CC2=C(c3ccc(cc3[Si](C2=C1)(C)
    C)N)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl
    ; C/[NH+]=C/1\C=CC2=C(c3ccc(cc3[Si](C2=C
    1)(C)C)N)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCC
    CCCCl; C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)
    C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(
    C)C2=C1    		 (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium;
    HaloTag with TRaQ-G-ctrl ligand
    24607 ILK 0 C9 H13 N2 O8 P Se InChI=1S/C9H13N2O8PSe/c12
    -5-1-2-11(9(15)10-5)8-7(1
    4)6(13)4(21-8)3-19-20(16,
    17)18/h1-2,4,6-8,13-14H,3
    H2,(H,10,12,15)(H2,16,17,
    18)/t4-,6-,7-,8-/m1/s1;
    QLPCUUUELDONBL-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C([Se]2)COP(=O)(O
    )O)O)O; O[CH]1[CH](O)[CH]([Se][CH]1CO[P]
    (O)(O)=O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1
    =O)[C@H]2[C@@H]([C@@H]([C@H]([Se]2)COP(=
    O)(O)O)O)O; O[C@H]1[C@@H](O)[C@@H]([Se][
    C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O    		 [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate
    24608 ILL
    ZINC000082640851    		 0 C10 H9 Cl N2 O InChI=1S/C10H9ClN2O/c11-7
    -1-2-9-8(4-7)6(5-12)3-10(
    14)13-9/h1-4H,5,12H2,(H,1
    3,14);
    MBZOVDFWTCQUTF-UHFFFAOYSA-N    		 Clc2ccc1c(C(=CC(=O)N1)CN)c2; NCC1=CC(=O)
    Nc2ccc(Cl)cc12; c1cc2c(cc1Cl)C(=CC(=O)N2
    )CN    		 4-(aminomethyl)-6-chloroquinolin-2(1H)-one
    24609 ILM
    CHEMBL1229072
    ZINC000054969026    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-4-5(
    2)6(8)7(9)10-3/h5-6H,4,8H
    2,1-3H3/t5-,6-/m0/s1;
    YXMMTUJDQTVJEN-WDSKDSINSA-N    		 CC[C@H](C)[C@@H](C(=O)OC)N; CC[CH](C)[CH
    ](N)C(=O)OC; CCC(C)C(C(=O)OC)N; CC[C@H](
    C)[C@H](N)C(=O)OC; O=C(OC)C(N)C(CC)C    		 methyl L-isoleucinate
    24610 ILN 4 C21 H20 N8 O3 InChI=1S/C21H20N8O3/c1-27
    -18(15(12-23-27)21(31)28-
    7-9-32-10-8-28)20(30)24-1
    6-11-17-25-19(26-29(17)13
    -22-16)14-5-3-2-4-6-14/h2
    -6,11-13H,7-10H2,1H3,(H,2
    4,30);
    PWLNXLRJJMPAHO-UHFFFAOYSA-N    		 O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)c1ccc
    cc1)N1CCOCC1; Cn1ncc(C(=O)N2CCOCC2)c1C(=
    O)Nc3cc4nc(nn4cn3)c5ccccc5; Cn1c(c(cn1)C
    (=O)N2CCOCC2)C(=O)Nc3cc4nc(nn4cn3)c5cccc
    c5    		 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
    24611 ILO
    CHEMBL11471
    DB03305
    ZINC000001886324    		 3 C7 H15 N3 O2 InChI=1S/C7H15N3O2/c1-5(8
    )10-4-2-3-6(9)7(11)12/h6H
    ,2-4,9H2,1H3,(H2,8,10)(H,
    11,12)/t6-/m0/s1;
    UYZFAUAYFLEHRC-LURJTMIESA-N    		 CC(=N)NCCC[CH](N)C(O)=O; CC(=N)NCCC[C@@H
    ](C(=O)O)N; CC(=N)NCCC[C@H](N)C(O)=O; CC
    (=N)NCCCC(C(=O)O)N; O=C(O)C(N)CCCNC(=[N@
    H])C    		 N5-IMINOETHYL-L-ORNITHINE
    24612 ILP
    DB02635
    ZINC000005846701    		 10 C14 H23 N2 O7 P InChI=1S/C14H23N2O7P/c1-4
    -8(2)12(14(18)19)16-6-11-
    10(7-23-24(20,21)22)5-15-
    9(3)13(11)17/h5,8,12,16-1
    7H,4,6-7H2,1-3H3,(H,18,19
    )(H2,20,21,22)/t8-,12+/m0
    /s1;
    GZZDWFDWHXPWJK-QPUJVOFHSA-N    		 CCC(C)C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O
    )O; CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O
    )C)COP(=O)(O)O; CC[CH](C)[CH](NCc1c(O)c(
    C)ncc1CO[P](O)(O)=O)C(O)=O; CC[C@H](C)[C
    @@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=
    O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
    (C)CC    		 N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE
    24613 ILQ 1 C35 H42 Cl N5 O4 Si InChI=1S/C35H42ClN5O4Si/c
    1-39-26-10-13-29-32(22-26
    )46(2,3)31-21-25(38)9-12-
    28(31)35(29)30-20-24(8-11
    -27(30)34(43)41(35)23-37)
    33(42)40-15-17-45-19-18-4
    4-16-7-5-4-6-14-36/h8-13,
    20-22,39H,4-7,14-19,38H2,
    1-3H3,(H,40,42)/t35-/m1/s
    1;
    FJKIBVRSCRUAPC-PGUFJCEWSA-N    		 CNc1ccc2c(c1)[Si](c3cc(ccc3C24c5cc(ccc5C
    (=O)N4C#N)C(=O)NCCOCCOCCCCCCCl)N)(C)C; C
    Nc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(
    C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
    ; CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C@@
    ]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCC
    CCCCl; CNc1ccc2c(c1)[Si](c3cc(ccc3[C@]24
    c5cc(ccc5C(=O)N4C#N)C(=O)NCCOCCOCCCCCCCl
    )N)(C)C    		 (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide
    24614 ILR 10 C13 H21 N O2 InChI=1S/C13H21NO2/c1-11-
    12(6-4-8-14-11)5-2-3-7-13
    (12)15-9-10-16-13/h2-10H2
    ,1H3/t12-/m1/s1;
    NFGZUBPFTHPCRY-GFCCVEGCSA-N    		 CC1=NCCCC12CCCCC23OCCO3; CC1=NCCC[C@]12C
    CCCC23OCCO3; CC1=NCCC[C]12CCCCC23OCCO3    		 Spiroimine (+)-4 R;
    (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene;
    (R)-(+)-Spiroimine
    24615 ILS
    CHEMBL3649521
    ZINC000144077503    		 4 C19 H22 N6 O2 InChI=1S/C19H22N6O2/c1-23
    -15-7-4-3-6-14(15)22-16(2
    3)8-9-20-18(26)17-13(12-2
    1-24(17)2)19(27)25-10-5-1
    1-25/h3-4,6-7,12H,5,8-11H
    2,1-2H3,(H,20,26);
    RDRUHVXSVRSDJK-UHFFFAOYSA-N    		 Cn1c2ccccc2nc1CCNC(=O)c3c(cnn3C)C(=O)N4C
    CC4; Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc4c
    cccc4n3C; O=C(c1cnn(C)c1C(=O)NCCc1nc2ccc
    cc2n1C)N1CCC1    		 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
    24616 ILT
    CHEMBL1192494
    ZINC000028226120    		 0 C17 H25 N11 O3 InChI=1S/C17H25N11O3/c1-2
    7-7-9(5-10(27)15(30)22-4-
    3-11(18)19)24-16(31)14-26
    -12(8-28(14)2)25-13(29)6-
    23-17(20)21/h5,7-8H,3-4,6
    H2,1-2H3,(H3,18,19)(H,22,
    30)(H,24,31)(H,25,29)(H4,
    20,21,23);
    ZQZPBVXTGJJHBD-UHFFFAOYSA-N    		 Cn1cc(NC(=O)c2nc(NC(=O)CNC(N)=N)cn2C)cc1
    C(=O)NCCC(N)=N; O=C(c1nc(NC(=O)CNC(=[N@H
    ])N)cn1C)Nc2cc(C(=O)NCCC(=[N@H])N)n(c2)C
    ; [H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(
    cn2C)NC(=O)CN/C(=N/[H])/N)/N; Cn1cc(cc1C
    (=O)NCCC(=N)N)NC(=O)c2nc(cn2C)NC(=O)CNC(
    =N)N    		 MONOIMIDAZOLE LEXITROPSIN
    24617 ILU 1 C35 H43 Cl N5 O4 Si InChI=1S/C35H42ClN5O4Si/c
    1-39-26-10-13-29-32(22-26
    )46(2,3)31-21-25(38)9-12-
    28(31)33(29)30-20-24(8-11
    -27(30)35(43)41-23-37)34(
    42)40-15-17-45-19-18-44-1
    6-7-5-4-6-14-36/h8-13,20-
    22H,4-7,14-19,38H2,1-3H3,
    (H,40,42)(H,41,43)/p+1/b3
    9-26+;
    MOOPIZWXYFKFBC-JBFMKSPFSA-O    		 C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2
    =C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCC
    CCl; C[NH+]=C1C=CC2=C(c3ccc(cc3[Si](C2=C
    1)(C)C)N)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCO
    CCCCCCCl    		 [7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
    24618 ILV
    CHEMBL27266
    ZINC000002517049    		 2 C17 H23 N3 O2 InChI=1S/C17H23N3O2/c1-10
    (2)16-17(22)19-12(9-21)7-
    11-8-18-13-5-4-6-14(15(11
    )13)20(16)3/h4-6,8,10,12,
    16,18,21H,7,9H2,1-3H3,(H,
    19,22)/t12-,16-/m0/s1;
    LUZOFMGZMUZSSK-LRDDRELGSA-N    		 CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO
    )NC1=O)c23; CC(C1N(c3c2c(CC(NC1=O)CO)cnc
    2ccc3)C)C; CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(
    ccc3)N1C)CO; CC(C)[CH]1N(C)c2cccc3[nH]cc
    (C[CH](CO)NC1=O)c23; CC(C)[C@H]1C(=O)N[C
    @@H](Cc2c[nH]c3c2c(ccc3)N1C)CO    		 (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one;
    Indolactam V
    24619 ILW 0 C9 H12 O3 InChI=1S/C9H12O3/c1-10-7-
    4-8(11-2)6-9(5-7)12-3/h4-
    6H,1-3H3;
    LKUDPHPHKOZXCD-UHFFFAOYSA-N    		 COc1cc(OC)cc(OC)c1; COc1cc(cc(c1)OC)OC 1,3,5-trimethoxybenzene
    24620 ILX 0 C6 H13 N O4 InChI=1S/C6H13NO4/c1-3(4(
    9)2-8)5(7)6(10)11/h3-5,8-
    9H,2,7H2,1H3,(H,10,11)/t3
    -,4-,5-/m0/s1;
    SGFRTCOTCWGGHB-YUPRTTJUSA-N    		 C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N; CC(C
    (CO)O)C(C(=O)O)N; C[C@H]([C@H](N)C(O)=O)
    [C@@H](O)CO; C[CH]([CH](N)C(O)=O)[CH](O)
    CO; O=C(O)C(N)C(C)C(O)CO    		 4,5-DIHYDROXYISOLEUCINE
    24621 ILY
    ZINC000002392298    		 0 C9 H20 N2 O2 InChI=1S/C9H20N2O2/c1-7(2
    )11-6-4-3-5-8(10)9(12)13/
    h7-8,11H,3-6,10H2,1-2H3,(
    H,12,13)/t8-/m0/s1;
    CBAWNLIZBXJSFS-QMMMGPOBSA-N    		 CC(C)NCCCC[C@H](N)C(O)=O; O=C(O)C(N)CCCC
    NC(C)C; CC(C)NCCCC[C@@H](C(=O)O)N; CC(C)
    NCCCCC(C(=O)O)N; CC(C)NCCCC[CH](N)C(O)=O    		 N~6~-propan-2-yl-L-lysine
    24622 ILZ 4 C21 H28 N6 O2 InChI=1S/C21H28N6O2/c1-25
    -14-17(15-7-4-3-5-8-15)24
    -18(25)9-10-22-20(28)19-1
    6(13-23-26(19)2)21(29)27-
    11-6-12-27/h3-5,7-8,17,23
    H,6,9-14H2,1-2H3,(H,22,28
    )/t17-/m1/s1;
    OXTMXHOZNMDBIP-QGZVFWFLSA-N    		 CN1C[C@@H](N=C1CCNC(=O)C2=C(CNN2C)C(=O)N
    3CCC3)c4ccccc4; CN1CC(N=C1CCNC(=O)C2=C(C
    NN2C)C(=O)N3CCC3)c4ccccc4; CN1C[CH](N=C1
    CCNC(=O)C2=C(CNN2C)C(=O)N3CCC3)c4ccccc4;
    O=C(NCCC1=NC(CN1C)c1ccccc1)C1=C(CNN1C)C
    (=O)N1CCC1    		 4-(azetidine-1-carbonyl)-2-methyl-N-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-2,5-dihydro-1H-pyrazole-3-carboxamide
    24623 IM0 2 C46 H40 N10 O12 InChI=1S/C46H40N10O12/c1-
    67-39-33(15-12-32(38(39)5
    9)46(65)66)52-43(62)31-11
    -14-34(40(37(31)58)68-17-
    16-47)53-44(63)35-13-9-28
    (21-48-35)51-45(64)36(20-
    29-22-49-56-55-29)54-41(6
    0)23-4-7-27(8-5-23)50-42(
    61)26-3-2-25-19-30(57)10-
    6-24(25)18-26/h2-15,18-19
    ,21-22,36,57-59H,16-17,20
    ,47H2,1H3,(H,50,61)(H,51,
    64)(H,52,62)(H,53,63)(H,5
    4,60)(H,65,66)(H,49,55,56
    )/t36-/m0/s1;
    CHHSPNIPEAAGBV-BHVANESWSA-N    		 COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC
    (=O)[C@H](Cc4c[nH]nn4)NC(=O)c5ccc(NC(=O)
    c6ccc7cc(O)ccc7c6)cc5)cn3)c(OCCN)c2O)C(O
    )=O; COc1c(ccc(c1O)C(=O)O)NC(=O)c2ccc(c(
    c2O)OCCN)NC(=O)c3ccc(cn3)NC(=O)C(Cc4c[nH
    ]nn4)NC(=O)c5ccc(cc5)NC(=O)c6ccc7cc(ccc7
    c6)O; COc1c(ccc(c1O)C(=O)O)NC(=O)c2ccc(c
    (c2O)OCCN)NC(=O)c3ccc(cn3)NC(=O)[C@H](Cc
    4c[nH]nn4)NC(=O)c5ccc(cc5)NC(=O)c6ccc7cc
    (ccc7c6)O; COc1c(O)c(ccc1NC(=O)c2ccc(NC(
    =O)c3ccc(NC(=O)[CH](Cc4c[nH]nn4)NC(=O)c5
    ccc(NC(=O)c6ccc7cc(O)ccc7c6)cc5)cn3)c(OC
    CN)c2O)C(O)=O    		 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
    24624 IM1
    ZINC000003922930    		 13 C31 H42 N4 O4 InChI=1S/C31H42N4O4/c1-21
    (2)27(28-32-16-17-33-28)3
    5-29(37)24(18-22-12-8-6-9
    -13-22)20-26(36)25(19-23-
    14-10-7-11-15-23)34-30(38
    )39-31(3,4)5/h6-17,21,24-
    27,36H,18-20H2,1-5H3,(H,3
    2,33)(H,34,38)(H,35,37)/t
    24-,25+,26+,27+/m1/s1;
    QAHXABIFJPGWDD-WKAQUBQDSA-N    		 CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2cc
    ccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)
    (C)C)O; O=C(NC(c1nccn1)C(C)C)C(Cc2ccccc2
    )CC(O)C(NC(=O)OC(C)(C)C)Cc3ccccc3; CC(C)
    C(c1[nH]ccn1)NC(=O)C(Cc2ccccc2)CC(C(Cc3c
    cccc3)NC(=O)OC(C)(C)C)O; CC(C)[CH](NC(=O
    )[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)
    (C)C)Cc2ccccc2)c3[nH]ccn3; CC(C)[C@H](NC
    (=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=
    O)OC(C)(C)C)Cc2ccccc2)c3[nH]ccn3    		 (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE
    24625 IM2
    ZINC000103040234    		 53 C12 H19 N3 O4 S InChI=1S/C12H19N3O4S/c1-7
    (17)8(5-16)9-4-10(11(15-9
    )12(18)19)20-3-2-14-6-13/
    h5-9,15,17H,2-4H2,1H3,(H2
    ,13,14)(H,18,19)/t7-,8-,9
    -/m1/s1;
    UACUABDJLSUFFC-IWSPIJDZSA-N    		 [H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@
    @H](C)O)C(=O)O; O=C(O)C1=C(SCCNC=[N@H])C
    C(N1)C(C=O)C(O)C; C[C@@H](O)[C@@H](C=O)[
    C@H]1CC(=C(N1)C(O)=O)SCCNC=N; CC(C(C=O)C
    1CC(=C(N1)C(=O)O)SCCNC=N)O; C[CH](O)[CH]
    (C=O)[CH]1CC(=C(N1)C(O)=O)SCCNC=N    		 (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid;
    IMIPENEM, open form;
    N-FORMIMIDOYL-THIENAMYCINE, open form
    24626 IM3
    DB07979    		 4 C9 H9 N O4 InChI=1S/C9H9NO4/c10-6(9(
    13)14)3-5-1-2-7(11)8(12)4
    -5/h1-2,4,10-12H,3H2,(H,1
    3,14)/b10-6+;
    VFINRVRRNHRWEQ-UXBLZVDNSA-N    		 OC(=O)C(=N)Cc1ccc(O)c(O)c1; [H]N=C(Cc1cc
    c(c(c1)O)O)C(=O)O; [H]/N=C(\Cc1ccc(c(c1)
    O)O)/C(=O)O; O=C(O)C(=[N@H])Cc1cc(O)c(O)
    cc1    		 (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID;
    IMINO-DOPA
    24627 IM4
    CHEMBL406819
    DB11421
    ZINC000004474604    		 28 C9 H10 Cl N5 O2 InChI=1S/C9H10ClN5O2/c10-
    8-2-1-7(5-12-8)6-14-4-3-1
    1-9(14)13-15(16)17/h1-2,5
    H,3-4,6H2,(H,11,13);
    YWTYJOPNNQFBPC-UHFFFAOYSA-N    		 [O-][N+](=O)N=C1NCCN1Cc2ccc(Cl)nc2; c1cc
    (ncc1CN2CCNC2=N[N+](=O)[O-])Cl; c1cc(ncc
    1CN\2CCN/C2=N\[N+](=O)[O-])Cl; [O-][N+](
    =O)/N=C1\NCCN1Cc2cnc(Cl)cc2; [O-][N+](=O
    )\N=C\1NCCN\1Cc2ccc(Cl)nc2    		 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine;
    imidacloprid
    24628 IM5
    CHEMBL475750
    ZINC000004846228    		 38 C12 H17 N5 O3 InChI=1S/C12H17N5O3/c13-1
    2-15-9-6(1-14-10(9)11(20)
    16-12)2-17-3-7(5-18)8(19)
    4-17/h1,7-8,14,18-19H,2-5
    H2,(H3,13,15,16,20)/t7-,8
    +/m1/s1;
    GSPTUGDLYPMLCQ-SFYZADRCSA-N    		 c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3CC(C(C3)O
    )CO; NC1=Nc2c(CN3C[CH](O)[CH](CO)C3)c[nH
    ]c2C(=O)N1; NC1=Nc2c(CN3C[C@H](O)[C@@H](
    CO)C3)c[nH]c2C(=O)N1; O=C2NC(=Nc1c(cnc12
    )CN3CC(C(O)C3)CO)N; c1c(c2c([nH]1)C(=O)N
    C(=N2)N)CN3C[C@@H]([C@H](C3)O)CO    		 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one;
    DADMe-ImmG
    24629 IM6
    CHEMBL1642655
    ZINC000043193842    		 2 C21 H21 N5 O InChI=1S/C21H21N5O/c1-21(
    2,3)16-6-4-15(5-7-16)20(2
    7)24-18-13-26-12-17(8-9-1
    9(26)23-18)25-11-10-22-14
    -25/h4-14H,1-3H3,(H,24,27
    );
    SMJAMOAYGIVKRI-UHFFFAOYSA-N    		 O=C(c1ccc(cc1)C(C)(C)C)Nc2nc3ccc(cn3c2)n
    4ccnc4; CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(
    ccc3n2)n4ccnc4    		 4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
    24630 IM7
    CHEMBL454912
    ZINC000040379558    		 2 C21 H24 Cl N3 O InChI=1S/C21H24ClN3O/c1-1
    9(2)16-10-21-6-3-7-25(21)
    11-20(16,24-18(21)26)9-14
    -13-8-12(22)4-5-15(13)23-
    17(14)19/h4-5,8,16,23H,3,
    6-7,9-11H2,1-2H3,(H,24,26
    )/t16-,20+,21-/m0/s1;
    OLTNNHBFPVARTE-DQLDELGASA-N    		 CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c6cc
    (Cl)ccc6[nH]c15)NC4=O; CC1(C)[CH]2C[C]34
    CCCN3C[C]2(Cc5c6cc(Cl)ccc6[nH]c15)NC4=O;
    CC1(c2c(c3cc(ccc3[nH]2)Cl)CC45C1CC6(CCC
    N6C4)C(=O)N5)C; CC1(c2c(c3cc(ccc3[nH]2)C
    l)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C
    ; N1C63CN2C(C1=O)(CCC2)CC6C(c5c(C3)c4c(c
    cc(c4)Cl)n5)(C)C    		 (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one;
    isomalbrancheamide B
    24631 IM8
    CHEMBL24957
    DB07981
    ZINC000013441194    		 1 C23 H25 Cl N2 O4 InChI=1S/C23H25ClN2O4/c1-
    4-17(13-27)25-22(28)12-19
    -14(2)26(21-10-9-18(30-3)
    11-20(19)21)23(29)15-5-7-
    16(24)8-6-15/h5-11,17,27H
    ,4,12-13H2,1-3H3,(H,25,28
    )/t17-/m1/s1;
    GKJWXEORYGBJFS-QGZVFWFLSA-N    		 Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(
    =O)NC(CC)CO; CC[C@H](CO)NC(=O)Cc1c(n(c2c
    1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C; CC[CH](C
    O)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc
    (OC)cc13; CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O
    )c2ccc(Cl)cc2)c3ccc(OC)cc13; CCC(CO)NC(=
    O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl
    )C    		 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
    24632 IM9
    CHEMBL477786
    DB07982
    ZINC000038994180    		 1 C23 H29 N7 O2 InChI=1S/C23H29N7O2/c1-16
    (2)30-17(3)25-14-21(30)20
    -8-9-24-23(27-20)26-18-4-
    6-19(7-5-18)28-10-12-29(1
    3-11-28)22(32)15-31/h4-9,
    14,16,31H,10-13,15H2,1-3H
    3,(H,24,26,27);
    PVTKDXZNSUHUMO-UHFFFAOYSA-N    		 CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(C
    C4)C(=O)CO)n2; Cc1ncc(n1C(C)C)c2ccnc(n2)
    Nc3ccc(cc3)N4CCN(CC4)C(=O)CO; O=C(N4CCN(
    c3ccc(Nc2nc(c1cnc(n1C(C)C)C)ccn2)cc3)CC4
    )CO    		 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
    24633 IMA
    CHEMBL1190476
    DB02269
    ZINC000003815595    		 2 C34 H36 N5 O2 InChI=1S/C34H35N5O2/c1-39
    (2,3)29-14-12-24(13-15-29
    )21-37-34(40)32-20-28-19-
    30(41-23-25-8-5-4-6-9-25)
    16-17-31(28)38(32)22-26-1
    0-7-11-27(18-26)33(35)36/
    h4-20H,21-23H2,1-3H3,(H3-
    ,35,36,37,40)/p+1;
    UFKJQTGPBFWMGT-UHFFFAOYSA-O    		 C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4cccc
    c4)ccc3n2Cc5cccc(c5)C(N)=N)cc1; O=C(NCc1
    ccc(cc1)[N+](C)(C)C)c4cc3cc(OCc2ccccc2)c
    cc3n4Cc5cc(C(=[N@H])N)ccc5; C[N+](C)(C)c
    1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4
    )C(=N)N)OCc5ccccc5    		 [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
    24634 IMB
    CHEMBL291727
    ZINC000024666638    		 2 C10 H12 N2 O6 P2 InChI=1S/C10H12N2O6P2/c13
    -19(14,15)10(20(16,17)18)
    12-9-8-4-2-1-3-7(8)5-6-11
    -9/h1-6,10H,(H,11,12)(H2,
    13,14,15)(H2,16,17,18);
    JPVMIOWESIQIGB-UHFFFAOYSA-N    		 O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O; O[
    P](O)(=O)C(Nc1nccc2ccccc12)[P](O)(O)=O;
    c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O    		 [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID;
    (3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE
    24635 IMC
    ZINC000033821371    		 0 C10 H16 N3 O7 P InChI=1S/C10H16N3O7P/c1-5
    -3-13(10(11)12-9(5)15)8-2
    -6(14)7(20-8)4-19-21(16,1
    7)18/h3,6-8,14H,2,4H2,1H3
    ,(H2,11,12,15)(H2,16,17,1
    8)/t6-,7+,8+/m0/s1;
    LBQNUQWNLDITAW-XLPZGREQSA-N    		 CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O2)C(=NC1=O)N; CC1=CN(C(=NC1=O)N)C2CC
    (C(O2)COP(=O)(O)O)O; O=C1N=C(N(C=C1C)C2O
    C(C(O)C2)COP(=O)(O)O)N; CC1=CN(C(=NC1=O)
    N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O;
    CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O
    2)C(=NC1=O)N    		 N1-[2-DEOXY-RIBOFURANOSYL]-[2-AMINO-5-METHYL-4-OXO-4H-PYRIMIDINE]-5'-MONOPHOSPHATE
    24636 IMD 114 C3 H5 N2 InChI=1S/C3H4N2/c1-2-5-3-
    4-1/h1-3H,(H,4,5)/p+1;
    RAXXELZNTBOGNW-UHFFFAOYSA-O    		 [nH]1cc[nH+]c1; c1c[nH+]cn1; c1c[nH+]c[n
    H]1    		 IMIDAZOLE
    24637 IME
    DB03840    		 3 C12 H16 Cu N8 O2 InChI=1S/4C3H3N2.Cu.2H2O/
    c4*1-2-5-3-4-1;;;/h4*1-3H
    ;;2*1H2/q4*-1;+4;;;
    QHMVDLPUUJNKGZ-UHFFFAOYSA-N    		 c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)
    ([OH2])[OH2]; O|[Cu](|O)(n1ccnc1)(n2ccnc
    2)(n3ccnc3)n4ccnc4; n1ccn(c1)[Cu](n2ccnc
    2)(O)(O)(n3ccnc3)n4ccnc4    		 TETRA(IMIDAZOLE)DIAQUACOPPER (II)
    24638 IMF
    DB04231    		 1 C12 H20 Cu N8 O2 InChI=1S/4C3H4N2.Cu.2H2O/
    c4*1-2-5-3-4-1;;;/h4*1-3H
    ,(H,4,5);;2*1H2/q;;;;+1;;;
    HBZDUNQUBNOQIC-UHFFFAOYSA-N    		 C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC
    =C3)([N]4=CNC=C4)([OH2])[OH2]; O.O.[Cu+]
    .[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4c
    cnc4    		 TETRA(IMIDAZOLE)DIAQUACOPPER (I)
    24639 IMG
    CHEMBL473922
    DB02230
    ZINC000013525011    		 3 C11 H15 N5 O4 InChI=1S/C11H15N5O4/c12-1
    1-15-5-3(1-13-7(5)10(20)1
    6-11)6-9(19)8(18)4(2-17)1
    4-6/h1,4,6,8-9,13-14,17-1
    9H,2H2,(H3,12,15,16,20)/t
    4-,6+,8-,9+/m1/s1;
    KBIDJCVAURJXFG-PVEDRDFWSA-N    		 NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO
    )[C@@H](O)[C@H]3O; c1c(c2c([nH]1)C(=O)NC
    (=N2)N)C3C(C(C(N3)CO)O)O; c1c(c2c([nH]1)
    C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](
    N3)CO)O)O; NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3
    N[CH](CO)[CH](O)[CH]3O; O=C1NC(=Nc2c1ncc
    2C3NC(CO)C(O)C3O)N    		 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL;
    IMMUCILLIN-G
    24640 IMH
    CHEMBL218291
    DB06185
    ZINC000013492899    		 41 C11 H14 N4 O4 InChI=1S/C11H14N4O4/c16-2
    -5-9(17)10(18)7(15-5)4-1-
    12-8-6(4)13-3-14-11(8)19/
    h1,3,5,7,9-10,12,15-18H,2
    H2,(H,13,14,19)/t5-,7+,9-
    ,10+/m1/s1;
    IWKXDMQDITUYRK-KUBHLMPHSA-N    		 c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(N3)CO)O
    )O; OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c2c[
    nH]c3C(=O)NC=Nc23; OC1C(NC(CO)C1O)c1c[NH
    ]c2c1N=CNC2=O; c1c(c2c([nH]1)C(=O)NC=N2)
    [C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O; OC[
    CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC
    =Nc23    		 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL;
    Forodesine;
    Immucillin H
    24641 IMI
    CHEMBL1233598
    DB03353
    ZINC000012503488    		 16 C10 H17 N3 O2 S InChI=1S/C10H17N3O2S/c11-
    10-12-6-5-16-7(9(6)13-10)
    3-1-2-4-8(14)15/h6-7,9H,1
    -5H2,(H,14,15)(H3,11,12,1
    3)/t6-,7-,9-/m0/s1;
    WWVANQJRLPIHNS-ZKWXMUAHSA-N    		 OC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12; C1C
    2C(C(S1)CCCCC(=O)O)NC(=N)N2; C1[C@H]2[C@
    @H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2; OC(=O
    )CCCC[C@@H]1SC[C@@H]2NC(=N)N[C@H]12; O=C
    (O)CCCCC1SCC2NC(=[N@H])NC12    		 2-IMINOBIOTIN
    24642 IMJ
    CHEMBL297636
    ZINC000000596507    		 5 C23 H24 N4 O2 InChI=1S/C23H24N4O2/c1-15
    -19(18-6-4-5-7-20(18)27(1
    5)3)14-26(2)22(29)11-8-16
    -12-17-9-10-21(28)25-23(1
    7)24-13-16/h4-8,11-13H,9-
    10,14H2,1-3H3,(H,24,25,28
    )/b11-8+;
    PVNPCRMKZHRPEV-DHZHZOJOSA-N    		 CN(Cc1c(C)n(C)c2ccccc12)C(=O)C=Cc3cnc4NC
    (=O)CCc4c3; O=C2Nc1ncc(cc1CC2)\C=C\C(=O)
    N(C)Cc4c3ccccc3n(c4C)C; CN(Cc1c(C)n(C)c2
    ccccc12)C(=O)\C=C\c3cnc4NC(=O)CCc4c3; Cc
    1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3
    )NC(=O)CC4; Cc1c(c2ccccc2n1C)CN(C)C(=O)C
    =Cc3cc4c(nc3)NC(=O)CC4    		 (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
    24643 IMK
    DB03133
    ZINC000038378584    		 3 C14 H18 N2 O5 InChI=1S/C14H18N2O5/c1-6-
    2-3-7-8(4-6)16-14(15-7)13
    -12(20)11(19)10(18)9(5-17
    )21-13/h2-4,9-13,17-20H,5
    H2,1H3,(H,15,16)/t9-,10-,
    11+,12-,13-/m1/s1;
    XIJZORUYQZBFJK-UJPOAAIJSA-N    		 Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H](
    [C@@H]([C@H](O3)CO)O)O)O; Cc1ccc2[nH]c(n
    c2c1)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O;
    OC1C(O)C(O)C(OC1CO)c3nc2cc(ccc2n3)C; Cc
    1ccc2c(c1)nc([nH]2)C3C(C(C(C(O3)CO)O)O)O
    ; Cc1ccc2[nH]c(nc2c1)[C@@H]3O[C@H](CO)[C
    @@H](O)[C@H](O)[C@H]3O    		 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE;
    2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,2,3-BENZIMIDAZOLE
    24644 IML
    ZINC000000163151    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-4-5(
    2)6(8-3)7(9)10/h5-6,8H,4H
    2,1-3H3,(H,9,10)/t5-,6-/m
    0/s1;
    KSPIYJQBLVDRRI-WDSKDSINSA-N    		 CC[CH](C)[CH](NC)C(O)=O; CCC(C)C(C(=O)O)
    NC; CC[C@H](C)[C@@H](C(=O)O)NC; CC[C@H](
    C)[C@H](NC)C(O)=O; O=C(O)C(NC)C(CC)C    		 N-METHYL-ISOLEUCINE
    24645 IMM
    CHEMBL590284
    DB07983
    ZINC000002047442    		 4 C19 H16 I N O4 InChI=1S/C19H16INO4/c1-11
    -15(10-18(22)23)16-9-14(2
    5-2)7-8-17(16)21(11)19(24
    )12-3-5-13(20)6-4-12/h3-9
    H,10H2,1-2H3,(H,22,23);
    CXBFZYKAVCAPSV-UHFFFAOYSA-N    		 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=
    O)O; Ic1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C
    )CC(=O)O; COc1ccc2n(c(C)c(CC(O)=O)c2c1)C
    (=O)c3ccc(I)cc3    		 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
    24646 IMN
    CHEMBL6
    DB00328
    ZINC000000601283    		 42 C19 H16 Cl N O4 InChI=1S/C19H16ClNO4/c1-1
    1-15(10-18(22)23)16-9-14(
    25-2)7-8-17(16)21(11)19(2
    4)12-3-5-13(20)6-4-12/h3-
    9H,10H2,1-2H3,(H,22,23);
    CGIGDMFJXJATDK-UHFFFAOYSA-N    		 COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(
    Cl)cc3; Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c
    (c3C)CC(=O)O; Cc1c(c2cc(ccc2n1C(=O)c3ccc
    (cc3)Cl)OC)CC(=O)O    		 INDOMETHACIN
    24647 IMO
    DB03510    		 9 C10 H14 N4 O11 P2 InChI=1S/C10H14N4O11P2/c1
    5-6-4(1-23-26(17,18)19)24
    -10(7(6)16)14-3-13-5-8(14
    )11-2-12-9(5)25-27(20,21)
    22/h2-4,6-7,10,15-16H,1H2
    ,(H2,17,18,19)(H2,20,21,2
    2)/t4-,6-,7-,10-/m1/s1;
    RXRZOKQPANIEDW-KQYNXXCUSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(
    O)=O)n2cnc3c(O[P](O)(O)=O)ncnc23; O=P(O)
    (O)Oc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)
    O; c1nc2c(c(n1)OP(=O)(O)O)ncn2C3C(C(C(O3
    )COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH](O[CH
    ]1CO[P](O)(O)=O)n2cnc3c(O[P](O)(O)=O)ncn
    c23; c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C
    @@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O    		 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE
    24648 IMP
    CHEMBL1207374
    DB04566
    ZINC000004228242    		 707 C10 H13 N4 O8 P InChI=1S/C10H13N4O8P/c15-
    6-4(1-21-23(18,19)20)22-1
    0(7(6)16)14-3-13-5-8(14)1
    1-2-12-9(5)17/h2-4,6-7,10
    ,15-16H,1H2,(H,11,12,17)(
    H2,18,19,20)/t4-,6-,7-,10
    -/m1/s1;
    GRSZFWQUAKGDAV-KQYNXXCUSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    P(=O)(O)O)O)O)N=CNC2=O; O=C1c2ncn(c2N=CN
    1)C3OC(C(O)C3O)COP(=O)(O)O; c1nc2c(n1C3C
    (C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(
    =O)NC=Nc23; O[C@H]1[C@@H](O)[C@@H](O[C@@
    H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23    		 INOSINIC ACID
    24649 IMQ
    CHEMBL481518
    ZINC000040935505    		 2 C15 H18 N2 O3 InChI=1S/C15H18N2O3/c18-9
    -12-15(20)13(19)8-17(12)7
    -11-4-1-3-10-5-2-6-16-14(
    10)11/h1-6,12-13,15,18-20
    H,7-9H2/t12-,13+,15-/m1/s
    1;
    MZDAWIBFZPTLPG-VNHYZAJKSA-N    		 OC[CH]1[CH](O)[CH](O)CN1Cc2cccc3cccnc23;
    OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc2cccc3c
    ccnc23; c1cc2cccnc2c(c1)CN3CC(C(C3CO)O)O
    ; c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([
    C@H]3CO)O)O; OCC3N(Cc2cccc1c2nccc1)CC(O)
    C3O    		 (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol
    24650 IMR
    CHEMBL261634
    ZINC000001492232    		 1 C5 H11 N O3 InChI=1S/C5H11NO3/c7-2-3-
    5(9)4(8)1-6-3/h3-9H,1-2H2
    /t3-,4+,5-/m1/s1;
    OQEBIHBLFRADNM-MROZADKFSA-N    		 OC[C@H]1NC[C@H](O)[C@@H]1O; C1[C@@H]([C@
    @H]([C@H](N1)CO)O)O; C1C(C(C(N1)CO)O)O;
    OCC1NCC(O)C1O; OC[CH]1NC[CH](O)[CH]1O    		 IMINORIBITOL;
    2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
    24651 IMS
    CHEMBL27784
    DB07984
    ZINC000013441196    		 1 C23 H25 Cl N2 O4 InChI=1S/C23H25ClN2O4/c1-
    4-17(13-27)25-22(28)12-19
    -14(2)26(21-10-9-18(30-3)
    11-20(19)21)23(29)15-5-7-
    16(24)8-6-15/h5-11,17,27H
    ,4,12-13H2,1-3H3,(H,25,28
    )/t17-/m0/s1;
    GKJWXEORYGBJFS-KRWDZBQOSA-N    		 Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(
    =O)NC(CC)CO; CC[CH](CO)NC(=O)Cc1c(C)n(C(
    =O)c2ccc(Cl)cc2)c3ccc(OC)cc13; CC[C@@H](
    CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc
    (cc3)Cl)C; CC[C@@H](CO)NC(=O)Cc1c(C)n(C(
    =O)c2ccc(Cl)cc2)c3ccc(OC)cc13; CCC(CO)NC
    (=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)
    Cl)C    		 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
    24652 IMT 0 C5 H7 N3 O2 InChI=1S/C5H7N3O2/c1-8-2-
    3(6)7-4(8)5(9)10/h2H,6H2,
    1H3,(H,9,10);
    PPQDQYBXCYQCNH-UHFFFAOYSA-N    		 Cn1cc(nc1C(=O)O)N; Cn1cc(N)nc1C(O)=O; O=
    C(O)c1nc(N)cn1C    		 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID
    24653 IMU
    CHEMBL1233603
    ZINC000015298459    		 8 C11 H16 N5 O7 P InChI=1S/C11H16N5O7P/c12-
    11-15-5-3(1-13-7(5)10(19)
    16-11)6-9(18)8(17)4(14-6)
    2-23-24(20,21)22/h1,4,6,8
    -9,13-14,17-18H,2H2,(H2,2
    0,21,22)(H3,12,15,16,19)/
    t4-,6+,8-,9+/m1/s1;
    IQLBECLICFDTTF-PVEDRDFWSA-N    		 NC1=Nc2c([nH]cc2[C@@H]3N[C@H](CO[P](O)(O
    )=O)[C@@H](O)[C@H]3O)C(=O)N1; O=P(OCC3NC
    (c2c1N=C(N)NC(=O)c1nc2)C(O)C3O)(O)O; NC1
    =Nc2c([nH]cc2[CH]3N[CH](CO[P](O)(O)=O)[C
    H](O)[CH]3O)C(=O)N1; c1c(c2c([nH]1)C(=O)
    NC(=N2)N)C3C(C(C(N3)COP(=O)(O)O)O)O; c1c
    (c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C
    @@H]([C@H](N3)COP(=O)(O)O)O)O    		 PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER;
    MODIFIED QUANOSINE-5-PHOSPHATE
    24654 IMV
    CHEMBL1738817
    ZINC000066156784    		 12 C17 H13 N O5 InChI=1S/C17H13NO5/c19-14
    -7-10-3-1-2-4-12(10)18(14
    )8-11-5-6-13-16(23-9-22-1
    3)15(11)17(20)21/h1-6H,7-
    9H2,(H,20,21);
    WSADZPAZSYSTNO-UHFFFAOYSA-N    		 O=C2N(c1ccccc1C2)Cc3ccc4OCOc4c3C(=O)O; O
    C(=O)c1c(CN2C(=O)Cc3ccccc23)ccc4OCOc14;
    c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO
    4    		 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
    24655 IMW
    CHEMBL1672002
    DB16447
    ZINC000000164367    		 1 C10 H12 O2 InChI=1S/C10H12O2/c1-6(2)
    8-5-9(11)7(3)4-10(8)12/h4
    -6H,1-3H3;
    KEQHJBNSCLWCAE-UHFFFAOYSA-N    		 CC1=CC(=O)C(=CC1=O)C(C)C; CC(C)C1=CC(=O)
    C(=CC1=O)C; O=C1C=C(C(=O)C=C1C(C)C)C    		 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione;
    Thymoquinone;
    2-isopropyl-5-methylbenzo-1,4-quinone
    24656 IMX
    CHEMBL1083943
    ZINC000034600235    		 4 C20 H17 F N2 O3 InChI=1S/C20H17FN2O3/c21-
    13-5-6-16-12(7-13)9-18(22
    -16)20(26)23-17-8-11-3-1-
    2-4-14(11)15(17)10-19(24)
    25/h1-7,9,15,17,22H,8,10H
    2,(H,23,26)(H,24,25)/t15-
    ,17-/m1/s1;
    MUKIEMZDXOXEOK-NVXWUHKLSA-N    		 OC(=O)C[CH]1[CH](Cc2ccccc12)NC(=O)c3[nH]
    c4ccc(F)cc4c3; O=C(O)CC4c1ccccc1CC4NC(=O
    )c3cc2cc(F)ccc2n3; c1ccc2c(c1)CC(C2CC(=O
    )O)NC(=O)c3cc4cc(ccc4[nH]3)F; OC(=O)C[C@
    H]1[C@@H](Cc2ccccc12)NC(=O)c3[nH]c4ccc(F
    )cc4c3; c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O
    )NC(=O)c3cc4cc(ccc4[nH]3)F    		 [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid
    24657 IMY
    DB04144
    ZINC000014881086    		 1 C30 H32 Cl2 N4 O3 InChI=1S/C30H32Cl2N4O3/c1
    -19(2)39-26-18-24(38-3)12
    -13-25(26)29-34-27(20-4-8
    -22(31)9-5-20)28(21-6-10-
    23(32)11-7-21)36(29)30(37
    )35-16-14-33-15-17-35/h4-
    13,18-19,27-28,33H,14-17H
    2,1-3H3/t27-,28+/m0/s1;
    ZXIPEZDMQNYFOO-WUFINQPMSA-N    		 CC(C)Oc1cc(ccc1C2=NC(C(N2C(=O)N3CCNCC3)c
    4ccc(cc4)Cl)c5ccc(cc5)Cl)OC; COc1ccc(c(O
    C(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNCC3)c
    4ccc(Cl)cc4)c5ccc(Cl)cc5; O=C(N2C(=NC(c1
    ccc(Cl)cc1)C2c3ccc(Cl)cc3)c4ccc(OC)cc4OC
    (C)C)N5CCNCC5; CC(C)Oc1cc(ccc1C2=N[C@H](
    [C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc
    (cc5)Cl)OC; COc1ccc(c(OC(C)C)c1)C2=N[C@H
    ]([C@H](N2C(=O)N3CCNCC3)c4ccc(Cl)cc4)c5c
    cc(Cl)cc5    		 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE;
    CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE
    24658 IMZ
    CHEMBL407632
    DB02872
    ZINC000028467964    		 6 C31 H34 Br2 N4 O4 InChI=1S/C31H34Br2N4O4/c1
    -3-41-27-20-25(40-2)12-13
    -26(27)30-34-28(21-4-8-23
    (32)9-5-21)29(22-6-10-24(
    33)11-7-22)37(30)31(39)36
    -16-14-35(15-17-36)18-19-
    38/h4-13,20,28-29,38H,3,1
    4-19H2,1-2H3/t28-,29+/m0/
    s1;
    PVRYEWOXWGDQHA-URLMMPGGSA-N    		 Brc1ccc(cc1)C5N=C(c2ccc(OC)cc2OCC)N(C(=O
    )N3CCN(CCO)CC3)C5c4ccc(Br)cc4; CCOc1cc(c
    cc1C2=NC(C(N2C(=O)N3CCN(CC3)CCO)c4ccc(cc
    4)Br)c5ccc(cc5)Br)OC; CCOc1cc(ccc1C2=N[C
    @H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4
    )Br)c5ccc(cc5)Br)OC; CCOc1cc(OC)ccc1C2=N
    [C@H]([C@H](N2C(=O)N3CCN(CCO)CC3)c4ccc(B
    r)cc4)c5ccc(Br)cc5; CCOc1cc(OC)ccc1C2=N[
    CH]([CH](N2C(=O)N3CCN(CCO)CC3)c4ccc(Br)c
    c4)c5ccc(Br)cc5    		 CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE
    24659 IN 0 In InChI=1S/In/q+3;
    RJMMFJHMVBOLGY-UHFFFAOYSA-N    		 [In+3] INDIUM (III) ION
    24660 IN0
    ZINC000003872155    		 3 C30 H31 Cl N2 O7 InChI=1S/C30H31ClN2O7/c1-
    30(2,3)16-33-23-12-11-18(
    31)13-21(23)27(20-10-6-8-
    17-7-4-5-9-19(17)20)40-24
    (28(33)37)15-25(34)32-22(
    29(38)39)14-26(35)36/h4-1
    3,22,24,27H,14-16H2,1-3H3
    ,(H,32,34)(H,35,36)(H,38,
    39)/t22-,24+,27+/m0/s1;
    GXDQAFKUUPODFF-CAKYRVLISA-N    		 CC(C)(C)CN1c2ccc(cc2C(OC(C1=O)CC(=O)NC(C
    C(=O)O)C(=O)O)c3cccc4c3cccc4)Cl; O=C(O)C
    C(C(=O)O)NC(=O)CC1OC(c2cc(Cl)ccc2N(C1=O)
    CC(C)(C)C)c4c3ccccc3ccc4; CC(C)(C)CN1C(=
    O)[C@@H](CC(=O)N[C@@H](CC(O)=O)C(O)=O)O[
    C@H](c2cccc3ccccc23)c4cc(Cl)ccc14; CC(C)
    (C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)
    N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl
    ; CC(C)(C)CN1C(=O)[CH](CC(=O)N[CH](CC(O)
    =O)C(O)=O)O[CH](c2cccc3ccccc23)c4cc(Cl)c
    cc14    		 N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID;
    CP-320473
    24661 IN1
    ZINC000005964775    		 2 C13 H24 O10 InChI=1S/C13H24O10/c1-2-8
    (15)22-6-13(19,20)3-4-21-
    12-11(18)10(17)9(16)7(5-1
    4)23-12/h7,9-12,14,16-20H
    ,2-6H2,1H3/t7-,9-,10+,11-
    ,12-/m1/s1;
    LNJDDDXXDSOXEJ-DVYMNCLGSA-N    		 CCC(=O)OCC(CCOC1C(C(C(C(O1)CO)O)O)O)(O)O
    ; CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H
    ]([C@H](O1)CO)O)O)O)(O)O; CCC(=O)OCC(O)(
    O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;
    O=C(OCC(O)(O)CCOC1OC(C(O)C(O)C1O)CO)CC;
    CCC(=O)OCC(O)(O)CCO[C@@H]1O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]1O    		 4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate;
    PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER;
    4-(beta-D-glucosyloxy)-2,2-dihydroxybutyl propanoate;
    4-(D-glucosyloxy)-2,2-dihydroxybutyl propanoate;
    4-(glucosyloxy)-2,2-dihydroxybutyl propanoate
    24662 IN2
    ZINC000024680440    		 1 C8 H18 N4 O3 InChI=1S/C8H18N4O3/c1-11(
    2)7(13)10-12(8(14)15)6-4-
    3-5-9/h3-6,9H2,1-2H3,(H,1
    0,13)(H,14,15);
    NKYYGDMMHLUQBA-UHFFFAOYSA-N    		 O=C(NN(C(=O)O)CCCCN)N(C)C; CN(C)C(=O)NN(
    CCCCN)C(=O)O; CN(C)C(=O)NN(CCCCN)C(O)=O    		 N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE
    24663 IN3
    CHEMBL340191
    ZINC000015283688    		 1 C29 H33 N5 O6 InChI=1S/C29H33N5O6/c1-20
    (2)16-25(30-29(38)40-19-2
    2-12-7-4-8-13-22)27(36)32
    -34-28(37)33-31-26(35)23-
    14-9-15-24(17-23)39-18-21
    -10-5-3-6-11-21/h3-15,17,
    20,25H,16,18-19H2,1-2H3,(
    H,30,38)(H,31,35)(H,32,36
    )(H2,33,34,37)/t25-/m0/s1;
    CEXWCIXCWCFUSI-VWLOTQADSA-N    		 CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c
    1)OCc2ccccc2)NC(=O)OCc3ccccc3; CC(C)C[CH
    ](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)c2
    cccc(OCc3ccccc3)c2; O=C(OCc1ccccc1)NC(C(
    =O)NNC(=O)NNC(=O)c3cc(OCc2ccccc2)ccc3)CC
    (C)C; CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)
    NNC(=O)NNC(=O)c2cccc(OCc3ccccc3)c2; CC(C
    )CC(C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccc
    cc2)NC(=O)OCc3ccccc3    		 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
    24664 IN4
    DB07985
    ZINC000002043393    		 1 C20 H24 N4 O2 InChI=1S/C20H24N4O2/c1-26
    -18(25)12-16(15-3-2-4-17(
    11-15)20(23)24)10-7-13-5-
    8-14(9-6-13)19(21)22/h2-6
    ,8-9,11,16H,7,10,12H2,1H3
    ,(H3,21,22)(H3,23,24)/t16
    -/m0/s1;
    PVALLOSAENRPQO-INIZCTEOSA-N    		 COC(=O)C[C@H](CCc1ccc(cc1)C(N)=N)c2cccc(
    c2)C(N)=N; COC(=O)C[CH](CCc1ccc(cc1)C(N)
    =N)c2cccc(c2)C(N)=N; [H]/N=C(\c1cccc(c1)
    [C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N; O
    =C(OC)CC(c1cc(ccc1)C(=[N@H])N)CCc2ccc(C(
    =[N@H])N)cc2; [H]N=C(c1cccc(c1)C(CCc2ccc
    (cc2)C(=N)N)CC(=O)OC)N    		 +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
    24665 IN5
    DB03327
    ZINC000002047885    		 16 C10 H18 N2 O8 P2 InChI=1S/C10H18N2O8P2/c1-
    6-10(13)9(4-12-7(2)21(14,
    15)16)8(3-11-6)5-20-22(17
    ,18)19/h3,7,12-13H,4-5H2,
    1-2H3,(H2,14,15,16)(H2,17
    ,18,19)/t7-/m1/s1;
    WHDCJKAOZPBUAY-SSDOTTSWSA-N    		 C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)[P](
    O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)
    P(=O)(O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN
    [C@@H](C)P(=O)(O)O)O; C[C@H](NCc1c(O)c(C
    )ncc1CO[P](O)(O)=O)[P](O)(O)=O; O=P(O)(O
    )OCc1cnc(c(O)c1CNC(C)P(=O)(O)O)C    		 {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID
    24666 IN6
    CHEMBL57836
    ZINC000015283330    		 1 C31 H39 N5 O6 S InChI=1S/C31H39N5O6S/c1-2
    0(2)15-24(33-30(39)41-17-
    22-11-7-5-8-12-22)27(37)3
    5-36-28(38)26-19-43-29(32
    -26)25(16-21(3)4)34-31(40
    )42-18-23-13-9-6-10-14-23
    /h5-14,19-21,24-25H,15-18
    H2,1-4H3,(H,33,39)(H,34,4
    0)(H,35,37)(H,36,38)/t24-
    ,25-/m0/s1;
    FNMSKYFYFLZDOO-DQEYMECFSA-N    		 CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](
    CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3
    ; CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NNC(=
    O)c2csc(n2)[CH](CC(C)C)NC(=O)OCc3ccccc3;
    CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=
    O)c2csc(n2)[C@H](CC(C)C)NC(=O)OCc3ccccc3
    ; CC(C)CC(c1nc(cs1)C(=O)NNC(=O)C(CC(C)C)
    NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3; O=C(O
    Cc1ccccc1)NC(c2nc(cs2)C(=O)NNC(=O)C(NC(=
    O)OCc3ccccc3)CC(C)C)CC(C)C    		 N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
    24667 IN7
    DB07986
    ZINC000001486750    		 1 C19 H22 N2 O4 S InChI=1S/C19H22N2O4S/c22-
    19(23)14-20-26(24,25)18-8
    -6-17(7-9-18)21-12-10-16(
    11-13-21)15-4-2-1-3-5-15/
    h1-9,16,20H,10-14H2,(H,22
    ,23);
    GNSLACGSDSJAIQ-UHFFFAOYSA-N    		 c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N
    CC(=O)O; O=C(O)CNS(=O)(=O)c1ccc(cc1)N3CC
    C(c2ccccc2)CC3; OC(=O)CN[S](=O)(=O)c1ccc
    (cc1)N2CCC(CC2)c3ccccc3    		 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID
    24668 IN8
    DB07987
    ZINC000006475185    		 1 C19 H18 N4 O3 S2 InChI=1S/C19H18N4O3S2/c24
    -16(21-17-22-23-19(27)28-
    17)11-15(14-9-5-2-6-10-14
    )20-18(25)26-12-13-7-3-1-
    4-8-13/h1-10,15H,11-12H2,
    (H,20,25)(H,23,27)(H,21,2
    2,24)/t15-/m1/s1;
    AWAKNMKLVLWIIQ-OAHLLOKOSA-N    		 c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)
    S)c3ccccc3; Sc1sc(NC(=O)C[CH](NC(=O)OCc2
    ccccc2)c3ccccc3)nn1; c1ccc(cc1)COC(=O)NC
    (CC(=O)Nc2nnc(s2)S)c3ccccc3; O=C(Nc1nnc(
    S)s1)CC(c2ccccc2)NC(=O)OCc3ccccc3; Sc1sc
    (NC(=O)C[C@@H](NC(=O)OCc2ccccc2)c3ccccc3
    )nn1    		 [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER;
    PNU-141803
    24669 IN9
    CHEMBL290140
    DB07988
    ZINC000001545874    		 1 C13 H10 F5 N5 O2 S2 InChI=1S/C13H10F5N5O2S2/c
    1-19-10(24)4(20-11(25)21-
    12-22-23-13(26)27-12)2-3-
    5(14)7(16)9(18)8(17)6(3)1
    5/h4H,2H2,1H3,(H,19,24)(H
    ,23,26)(H2,20,21,22,25)/t
    4-/m0/s1;
    HZAXNPDJVFUGDS-BYPYZUCNSA-N    		 CNC(=O)[CH](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O
    )Nc2sc(S)nn2; O=C(Nc1nnc(S)s1)NC(C(=O)NC
    )Cc2c(F)c(F)c(F)c(F)c2F; CNC(=O)[C@H](Cc
    1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc2sc(S)nn2;
    CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=
    O)Nc2nnc(s2)S; CNC(=O)C(Cc1c(c(c(c(c1F)F
    )F)F)F)NC(=O)Nc2nnc(s2)S    		 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE;
    PNU-142372
    24670 INA
    CHEMBL115357
    DB03891
    ZINC000014880956    		 1 C29 H40 N6 O7 InChI=1S/C29H40N6O7/c1-19
    (2)15-23(30-28(39)41-17-2
    1-11-7-5-8-12-21)25(36)32
    -34-27(38)35-33-26(37)24(
    16-20(3)4)31-29(40)42-18-
    22-13-9-6-10-14-22/h5-14,
    19-20,23-24H,15-18H2,1-4H
    3,(H,30,39)(H,31,40)(H,32
    ,36)(H,33,37)(H2,34,35,38
    )/t23-,24-/m0/s1;
    HGDUWJVGIGLVOH-ZEQRLZLVSA-N    		 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O
    )NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2; O
    =C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC
    (=O)OCc2ccccc2)CC(C)C)CC(C)C; CC(C)CC(C(
    =O)NNC(=O)NNC(=O)C(CC(C)C)NC(=O)OCc1cccc
    c1)NC(=O)OCc2ccccc2; CC(C)C[C@@H](C(=O)N
    NC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1cccc
    c1)NC(=O)OCc2ccccc2; CC(C)C[CH](NC(=O)OC
    c1ccccc1)C(=O)NNC(=O)NNC(=O)[CH](CC(C)C)
    NC(=O)OCc2ccccc2    		 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE
    24671 INB
    DB04112
    ZINC000014881051    		 6 C26 H54 N O6 P S InChI=1S/C26H54NO6PS/c1-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17-18-19-20-31-23-
    26(27-25(2)28)24-33-34(29
    ,30)32-21-22-35-3/h26H,4-
    24H2,1-3H3,(H,27,28)(H,29
    ,30)/t26-/m1/s1;
    ZULTVWFLRZJENJ-AREMUKBSSA-N    		 CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)OCC
    SC)NC(C)=O; O=P(OCC(NC(=O)C)COCCCCCCCCCC
    CCCCCCCC)(OCCSC)O; CCCCCCCCCCCCCCCCCCOCC
    (COP(=O)(O)OCCSC)NC(=O)C; CCCCCCCCCCCCCC
    CCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C;
    CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](O)(=O)
    OCCSC)NC(C)=O    		 1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-GLYCEROL-3-PHOSPHOETHYLMETHYL SULFIDE
    24672 INC
    DB07989
    ZINC000006706638    		 1 C9 H17 N O4 InChI=1S/C9H17NO4/c1-6(2)
    5-8(9(12)14-4)10(13)7(3)1
    1/h6,8,13H,5H2,1-4H3/t8-/
    m1/s1;
    OVUHENJPIUQHLJ-MRVPVSSYSA-N    		 CC(C)C[C@H](C(=O)OC)N(C(=O)C)O; COC(=O)[
    CH](CC(C)C)N(O)C(C)=O; CC(C)CC(C(=O)OC)N
    (C(=O)C)O; COC(=O)[C@@H](CC(C)C)N(O)C(C)
    =O; O=C(N(O)C(C(=O)OC)CC(C)C)C    		 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER
    24673 IND
    CHEMBL15844
    DB04532
    ZINC000014516984    		 48 C8 H7 N InChI=1S/C8H7N/c1-2-4-8-7
    (3-1)5-6-9-8/h1-6,9H;
    SIKJAQJRHWYJAI-UHFFFAOYSA-N    		 [nH]1ccc2ccccc12; c1ccc2c(c1)cc[nH]2; c1
    cccc2c1ccn2    		 INDOLE
    24674 INE
    CHEMBL479014
    DB01997
    ZINC000003870920    		 23 C7 H4 Br N3 O2 InChI=1S/C7H4BrN3O2/c8-7-
    4-2-1-3-5(11(12)13)6(4)9-
    10-7/h1-3H,(H,9,10);
    NFSTZPMYAZRZPC-UHFFFAOYSA-N    		 [O-][N+](=O)c1cccc2c1nnc2Br; c1cc2c(c(c1
    )[N+](=O)[O-])[nH]nc2Br; [O-][N+](=O)c1c
    ccc2c(Br)n[nH]c12    		 3-BROMO-7-NITROINDAZOLE
    24675 INF
    DB04316
    ZINC000003872182    		 1 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c13-9
    (14)8(11-10(15)12-16)6-7-
    4-2-1-3-5-7/h1-5,8,16H,6H
    2,(H,13,14)(H2,11,12,15)/
    t8-/m1/s1;
    IOFPEOPOAMOMBE-MRVPVSSYSA-N    		 c1ccc(cc1)CC(C(=O)O)NC(=O)NO; ONC(=O)N[C
    H](Cc1ccccc1)C(O)=O; ONC(=O)N[C@H](Cc1cc
    ccc1)C(O)=O; O=C(O)C(NC(=O)NO)Cc1ccccc1;
    c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO    		 D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE
    24676 ING
    DB04058
    ZINC000003581319    		 6 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c11-1
    0(15)12-8(9(13)14)6-7-4-2
    -1-3-5-7/h1-5,8H,6H2,(H,1
    3,14)(H3,11,12,15)/t8-/m0
    /s1;
    IPWQOZCSQLTKOI-QMMMGPOBSA-N    		 c1ccc(cc1)CC(C(=O)O)NC(=O)N; c1ccc(cc1)C
    [C@@H](C(=O)O)NC(=O)N; NC(=O)N[CH](Cc1cc
    ccc1)C(O)=O; NC(=O)N[C@@H](Cc1ccccc1)C(O
    )=O; O=C(O)C(NC(=O)N)Cc1ccccc1    		 D-[(AMINO)CARBONYL]PHENYLALANINE
    24677 INH 0 C25 H35 N6 O4 InChI=1S/C25H34N6O4/c1-17
    (24(34)35)29-21(15-14-18-
    9-4-2-5-10-18)23(33)31-20
    (13-8-16-28-25(26)27)22(3
    2)30-19-11-6-3-7-12-19/h2
    -7,9-12,17,20-21,29H,8,13
    -16H2,1H3,(H,30,32)(H,31,
    33)(H,34,35)(H4,26,27,28)
    /p+1/t17-,20+,21+/m1/s1;
    HDGWGGCPTVXRNA-QMMLZNLJSA-O    		 C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[
    C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2; C[
    CH](N[CH](CCc1ccccc1)C(=O)N[CH](CCCNC(N)
    =[NH2+])C(=O)Nc2ccccc2)C(O)=O; CC(C(=O)O
    )NC(CCc1ccccc1)C(=O)NC(CCCNC(=[NH2+])N)C
    (=O)Nc2ccccc2; C[C@@H](N[C@@H](CCc1ccccc
    1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2c
    cccc2)C(O)=O; O=C(Nc1ccccc1)C(NC(=O)C(NC
    (C(=O)O)C)CCc2ccccc2)CCCNC(=[NH2+])\N    		 N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE
    24678 INI
    DB04162    		 123 C9 H14 N4 O8 InChI=1S/C9H14N4O8/c14-2-
    4(16)6(17)3(15)1-10-7-5(1
    3(20)21)8(18)12-9(19)11-7
    /h3-4,6,14-17H,1-2H2,(H3,
    10,11,12,18,19)/t3-,4+,6-
    /m0/s1;
    KSKGHNZSCSCHEQ-RPDRRWSUSA-N    		 C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+
    ](=O)[O-]; C([C@@H]([C@@H]([C@@H](CO)O)O
    )O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]; OC[
    C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(C(=O)NC
    (=O)N1)[N+]([O-])=O; O=C1NC(NCC(O)C(O)C(
    O)CO)=C(C(=O)N1)[N+]([O-])=O; OC[CH](O)[
    CH](O)[CH](O)CNC1=C(C(=O)NC(=O)N1)[N+]([
    O-])=O    		 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
    24679 INJ
    DB04266
    ZINC000003871086    		 10 C14 H26 N3 O9 P InChI=1S/C14H26N3O9P/c18-
    7-10(20)11(21)9(19)6-15-1
    2-8(13(22)17-14(23)16-12)
    4-2-1-3-5-27(24,25)26/h9-
    11,18-21H,1-7H2,(H2,24,25
    ,26)(H3,15,16,17,22,23)/t
    9-,10+,11-/m0/s1;
    BMATWAHJJFXMFA-AXFHLTTASA-N    		 C(CCc1c(nc(nc1O)O)NCC(C(C(CO)O)O)O)CCP(=
    O)(O)O; C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H
    ]([C@@H](CO)O)O)O)CCP(=O)(O)O; O=P(O)(O)
    CCCCCc1c(O)nc(O)nc1NCC(O)C(O)C(O)CO; OC[
    CH](O)[CH](O)[CH](O)CNc1nc(O)nc(O)c1CCCC
    C[P](O)(O)=O; OC[C@@H](O)[C@@H](O)[C@@H]
    (O)CNc1nc(O)nc(O)c1CCCCC[P](O)(O)=O    		 5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYL-PHOSPHONIC ACID
    24680 INK
    DB07990    		 1 C11 H16 Cl O3 P InChI=1S/C11H16ClO3P/c1-3
    -10(15-16(2,12)13)9-14-11
    -7-5-4-6-8-11/h4-8,10H,3,
    9H2,1-2H3/t10-,16-/m1/s1;
    YEIXDWIEYXZUBR-QLJPJBMISA-N    		 CCC(COc1ccccc1)OP(=O)(C)Cl; CC[CH](COc1c
    cccc1)O[P](C)(Cl)=O; CC[C@H](COc1ccccc1)
    O[P@](C)(Cl)=O; CC[C@H](COc1ccccc1)O[P@]
    (=O)(C)Cl; ClP(=O)(OC(COc1ccccc1)CC)C    		 (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
    24681 INL
    CHEMBL433921
    DB03598
    ZINC000012503776    		 1 C18 H21 N3 O6 S3 InChI=1S/C18H21N3O6S3/c1-
    26-16-4-2-3-14(11-16)21-1
    5(12-20-5-7-27-8-6-20)9-1
    3-10-17(29(19,22)23)28-18
    (13)30(21,24)25/h2-4,9-11
    H,5-8,12H2,1H3,(H2,19,22,
    23);
    XSUAVPPTKHUTDX-UHFFFAOYSA-N    		 COc1cccc(c1)N2C(=Cc3cc(sc3[S]2(=O)=O)[S]
    (N)(=O)=O)CN4CCOCC4; O=S(=O)(c1sc3c(c1)C
    =C(N(c2cccc(OC)c2)S3(=O)=O)CN4CCOCC4)N;
    COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)
    (=O)N)CN4CCOCC4    		 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE;
    AL-6629;
    [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE;
    2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-;
    1,1-DIOXIDE]
    24682 INM
    ZINC000100077413    		 1 C10 H15 N3 O5 S3 InChI=1S/C10H15N3O5S3/c1-
    18-4-2-3-13-6-8(11)7-5-9(
    20(12,14)15)19-10(7)21(13
    ,16)17/h5-6H,2-4,11H2,1H3
    ,(H2,12,14,15);
    JWGVKMKDRPFFRV-UHFFFAOYSA-N    		 COCCCN1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N
    ; COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=
    O)N)N; COCCCN1C=C(N)c2cc(sc2[S]1(=O)=O)[
    S](N)(=O)=O; O=S(=O)(N)c2sc1c(C(=CN(S1(=
    O)=O)CCCOC)N)c2    		 4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE;
    AL-8520;
    [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE;
    4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-;
    1,1-DIOXIDE,(R)]
    24683 INN
    ZINC000003870891    		 16 C19 H37 N5 O5 InChI=1S/C19H37N5O5/c1-11
    (2)9-13(10-14(25)24-29)17
    (27)23-15(19(4,5)6)18(28)
    22-12(3)16(26)21-8-7-20/h
    11-13,15,29H,7-10,20H2,1-
    6H3,(H,21,26)(H,22,28)(H,
    23,27)(H,24,25)/t12-,13+,
    15+/m0/s1;
    LMIQCBIEAHJAMZ-GZBFAFLISA-N    		 O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)NCCN)C)C(
    C)(C)C)CC(C)C; CC(C)C[C@H](CC(=O)NO)C(=O
    )N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C; CC
    (C)C[CH](CC(=O)NO)C(=O)N[CH](C(=O)N[CH](
    C)C(=O)NCCN)C(C)(C)C; CC(C)CC(CC(=O)NO)C
    (=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C; CC(
    C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@
    H](C)C(=O)NCCN)C(C)(C)C    		 N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide
    24684 INO 14 C6 H5 N O4 InChI=1S/C6H5NO4/c8-5-3-4
    (6(9)10)1-2-7(5)11/h1-3,8
    H,(H,9,10);
    OFOAWMIVKVXKCO-UHFFFAOYSA-N    		 OC(=O)c1cc[n+]([O-])c(O)c1; c1c[n+](c(cc
    1C(=O)O)O)[O-]; O=C(O)c1cc[n+]([O-])c(O)
    c1    		 2-HYDROXYISONICOTINIC ACID N-OXIDE
    24685 INP
    ZINC000084541645    		 1 C31 H43 N5 O6 InChI=1S/C31H43N5O6/c1-21
    (2)14-25(33-30(39)41-19-2
    3-8-6-5-7-9-23)16-36-17-2
    7(28(37)18-36)34-29(38)26
    (15-22(3)4)35-31(40)42-20
    -24-10-12-32-13-11-24/h5-
    13,21-22,25-27H,14-20H2,1
    -4H3,(H,33,39)(H,34,38)(H
    ,35,40)/t25-,26-,27+/m0/s
    1;
    YCGCXDDZHQMZQY-GMQQYTKMSA-N    		 O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(
    =O)OCc2ccccc2)CC(C)C)C3)CC(C)C; CC(C)C[C
    H](CN1C[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc2
    ccncc2)C(=O)C1)NC(=O)OCc3ccccc3; CC(C)CC
    (CN1CC(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)OCc2
    ccncc2)NC(=O)OCc3ccccc3; CC(C)C[C@@H](C[
    N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC
    (=O)OCc2ccncc2)NC(=O)OCc3ccccc3; CC(C)C[
    C@@H](CN1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=
    O)OCc2ccncc2)C(=O)C1)NC(=O)OCc3ccccc3    		 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N;
    PYRROLIDINONE
    24686 INQ
    CHEMBL353861
    DB03262
    ZINC000012503368    		 1 C17 H19 N3 O6 S3 InChI=1S/C17H19N3O6S3/c18
    -28(22,23)16-9-12-8-14(11
    -19-4-6-26-7-5-19)20(29(2
    4,25)17(12)27-16)13-2-1-3
    -15(21)10-13/h1-3,8-10,21
    H,4-7,11H2,(H2,18,22,23);
    PZLYYZPXSSNGJS-UHFFFAOYSA-N    		 N[S](=O)(=O)c1sc2c(C=C(CN3CCOCC3)N(c4ccc
    c(O)c4)[S]2(=O)=O)c1; O=S(=O)(c1sc3c(c1)
    C=C(N(c2cccc(O)c2)S3(=O)=O)CN4CCOCC4)N;
    c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O
    )(=O)N)CN4CCOCC4    		 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE;
    AL-6619;
    [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE;
    2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-;
    1,1-DIOXIDE]
    24687 INR
    CHEMBL1208600
    DB02519    		 5 C16 H10 N2 O5 S InChI=1S/C16H10N2O5S/c19-
    15-9-3-1-2-4-11(9)17-14(1
    5)13-10-7-8(24(21,22)23)5
    -6-12(10)18-16(13)20/h1-7
    ,17H,(H,18,20)(H,21,22,23
    )/b14-13-;
    IHBOEHLUIBMBMY-YPKPFQOOSA-N    		 O=S(=O)(O)c1cc\2c(cc1)NC(=O)C/2=C4\C(=O)
    c3ccccc3N4; c1ccc2c(c1)C(=O)C(=C3c4cc(cc
    c4NC3=O)S(=O)(=O)O)N2; O[S](=O)(=O)c1ccc
    2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1; O[S](=O)
    (=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c
    1; c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=
    O)S(=O)(=O)O)/N2    		 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID;
    INDIRUBIN-5-SULPHONATE
    24688 INS
    CHEMBL1222251
    DB13178
    ZINC000100018867    		 74 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2(8
    )4(10)6(12)5(11)3(1)9/h1-
    12H/t1-,2-,3-,4+,5-,6-;
    CDAISMWEOUEBRE-GPIVLXJGSA-N    		 C1(C(C(C(C(C1O)O)O)O)O)O; OC1C(O)C(O)C(O
    )C(O)C1O; O[CH]1[CH](O)[CH](O)[CH](O)[CH
    ](O)[CH]1O; O[C@@H]1[C@H](O)[C@H](O)[C@@
    H](O)[C@H](O)[C@H]1O    		 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
    MYO-INOSITOL
    24689 INT 0 C25 H33 N3 O5 InChI=1/C25H33N3O5/c1-17(
    2)22(24(31)27-21(15-29)14
    -19-10-6-4-7-11-19)28-23(
    30)18(3)26-25(32)33-16-20
    -12-8-5-9-13-20/h4-13,17-
    18,21-22,29H,14-16H2,1-3H
    3,(H,26,32)(H,27,31)(H,28
    ,30)/t18-,21-,22-/m0/s1/f
    /h26-28H;
    QLOIOASGERKBSU-HQECFMBBDR    		 CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(C)NC
    (=O)OCc2ccccc2; O=C(NC(Cc1ccccc1)CO)C(NC
    (=O)C(NC(=O)OCc2ccccc2)C)C(C)C; CC(C)[C@
    H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N
    [C@H](CO)Cc2ccccc2; CC(C)[C@@H](C(=O)N[C
    @@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OC
    c2ccccc2; CC(C)[CH](NC(=O)[CH](C)NC(=O)O
    Cc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2    		 [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-VALINYL-[PHENYL-1-HYDROXYPROP-2-YL]-AMINE;
    TL-3-093
    24690 INU
    DB02033
    ZINC000003815654    		 2 C27 H29 N O5 S InChI=1S/C27H29NO5S/c29-2
    6-22-13-6-1-2-7-14-23(22)
    33-27(30)25(26)24(18-15-1
    6-18)19-9-8-10-20(17-19)2
    8-34(31,32)21-11-4-3-5-12
    -21/h3-5,8-12,17-18,24,28
    -29H,1-2,6-7,13-16H2/t24-
    /m0/s1;
    GDRNWAKVNIROCG-DEOSSOPVSA-N    		 OC1=C([CH](C2CC2)c3cccc(N[S](=O)(=O)c4cc
    ccc4)c3)C(=O)OC5=C1CCCCCC5; OC1=C([C@@H]
    (C2CC2)c3cccc(N[S](=O)(=O)c4ccccc4)c3)C(
    =O)OC5=C1CCCCCC5; O=S(=O)(c1ccccc1)Nc2cc
    cc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5;
    c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3C
    C3)C4=C(C5=C(CCCCCC5)OC4=O)O; c1ccc(cc1)
    S(=O)(=O)Nc2cccc(c2)C(C3CC3)C4=C(C5=C(CC
    CCCC5)OC4=O)O    		 N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
    24691 INV
    DB02429    		 2 C14 H13 F N2 O3 S InChI=1S/C14H13FN2O3S/c15
    -12-5-1-10(2-6-12)9-17-14
    (18)11-3-7-13(8-4-11)21(1
    6,19)20/h1-8H,9H2,(H,17,1
    8)(H2,16,19,20);
    IXDVPACDZDRCTN-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2
    ; Fc1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
    ; c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F    		 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
    24692 INW
    DB04180    		 2 C14 H12 F2 N2 O3 S InChI=1S/C14H12F2N2O3S/c1
    5-11-4-1-10(13(16)7-11)8-
    18-14(19)9-2-5-12(6-3-9)2
    2(17,20)21/h1-7H,8H2,(H,1
    8,19)(H2,17,20,21);
    NTDFJEKGSGSXME-UHFFFAOYSA-N    		 Fc1cc(F)ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N;
    c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N
    ; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c
    c2F    		 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE
    24693 INX
    CHEMBL175198
    DB04525
    ZINC000003965850    		 1 C30 H37 N3 O10 InChI=1S/C30H37N3O10/c1-2
    -3-7-14-31-28(39)22(17-20
    -10-11-24(43-18-27(37)38)
    21(15-20)30(41)42)33-29(4
    0)23(16-19-8-5-4-6-9-19)3
    2-25(34)12-13-26(35)36/h4
    -6,8-11,15,22-23H,2-3,7,1
    2-14,16-18H2,1H3,(H,31,39
    )(H,32,34)(H,33,40)(H,35,
    36)(H,37,38)(H,41,42)/t22
    -,23-/m0/s1;
    PUAJYWYRZTYQKS-GOTSBHOMSA-N    		 CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(
    =O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)
    O; O=C(O)CCC(=O)NC(C(=O)NC(C(=O)NCCCCC)C
    c1ccc(OCC(=O)O)c(c1)C(=O)O)Cc2ccccc2; CC
    CCCNC(=O)C(Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N
    C(=O)C(Cc2ccccc2)NC(=O)CCC(=O)O; CCCCCNC
    (=O)[CH](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(
    =O)[CH](Cc2ccccc2)NC(=O)CCC(O)=O; CCCCCN
    C(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)N
    C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(O)=O    		 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID
    24694 INY 0 C15 H18 Cl3 N O InChI=1/C15H18Cl3NO/c1-4-
    14(10(3)15(14,17)18)13(20
    )19-9(2)11-5-7-12(16)8-6-
    11/h5-10H,4H2,1-3H3,(H,19
    ,20)/t9-,10-,14+/m1/s1/f/
    h19H;
    RXDMAYSSBPYBFW-BKNKQNNZDK    		 CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)
    c2ccc(Cl)cc2; CC[C]1([CH](C)C1(Cl)Cl)C(=
    O)N[CH](C)c2ccc(Cl)cc2; CC[C@]1([C@H](C1
    (Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl; CCC
    1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl; O
    =C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl    		 CARPROPAMIDE
    24695 INZ
    DB02436
    ZINC000003874712    		 1 C27 H33 N3 O9 InChI=1S/C27H33N3O9/c1-2-
    3-7-14-28-23(31)20(15-18-
    10-12-19(13-11-18)39-22(2
    5(34)35)26(36)37)29-27(38
    )30-21(24(32)33)16-17-8-5
    -4-6-9-17/h4-6,8-13,20-22
    H,2-3,7,14-16H2,1H3,(H,28
    ,31)(H,32,33)(H,34,35)(H,
    36,37)(H2,29,30,38)/t20-,
    21-/m0/s1;
    BKONADSQADEJJP-SFTDATJTSA-N    		 CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O
    )cc1)NC(=O)N[C@@H](Cc2ccccc2)C(O)=O; CCC
    CCNC(=O)C(Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC
    (=O)NC(Cc2ccccc2)C(=O)O; O=C(O)C(NC(=O)N
    C(C(=O)NCCCCC)Cc1ccc(OC(C(=O)O)C(=O)O)cc
    1)Cc2ccccc2; CCCCCNC(=O)[C@H](Cc1ccc(cc1
    )OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc
    2)C(=O)O; CCCCCNC(=O)[CH](Cc1ccc(OC(C(O)
    =O)C(O)=O)cc1)NC(=O)N[CH](Cc2ccccc2)C(O)
    =O    		 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID
    24696 IO0 3 C14 H23 N3 O6 S InChI=1S/C14H23N3O6S/c1-7
    (2)11(14(22)23)17-12(19)9
    (6-24)16-10(18)5-3-4-8(15
    )13(20)21/h6-9,11H,3-5,15
    H2,1-2H3,(H,16,18)(H,17,1
    9)(H,20,21)(H,22,23)/t8-,
    9-,11+/m0/s1;
    NKCVUNAEQXDNRK-ATZCPNFKSA-N    		 CC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCC[C@H](
    N)C(O)=O)C=S)C(O)=O; CC(C)C(C(=O)O)NC(=O
    )C(C=S)NC(=O)CCCC(C(=O)O)N; CC(C)[CH](NC
    (=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=S)C(O)
    =O; CC(C)[C@H](C(=O)O)NC(=O)[C@H](C=S)NC
    (=O)CCC[C@@H](C(=O)O)N    		 (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid;
    ACdV thioaldehyde
    24697 IO2
    ZINC000000081145    		 1 C15 H14 O3 InChI=1S/C15H14O3/c16-15(
    17)10-12-6-8-14(9-7-12)18
    -11-13-4-2-1-3-5-13/h1-9H
    ,10-11H2,(H,16,17);
    XJHGAJLIKDAOPE-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(OCc2ccccc2)cc1; c1ccc(cc1)C
    Oc2ccc(cc2)CC(=O)O    		 2-(4-phenylmethoxyphenyl)ethanoic acid
    24698 IO3
    ZINC000003875659    		 8 C11 H11 I3 O3 InChI=1S/C11H11I3O3/c1-2-
    5(11(16)17)3-6-7(12)4-8(1
    3)10(15)9(6)14/h4-5,15H,2
    -3H2,1H3,(H,16,17)/t5-/m0
    /s1;
    GOIQOQCNFWYSTQ-YFKPBYRVSA-N    		 CC[C@@H](Cc1c(I)cc(I)c(O)c1I)C(O)=O; CC[
    C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O; CC[CH]
    (Cc1c(I)cc(I)c(O)c1I)C(O)=O; CCC(Cc1c(cc
    (c(c1I)O)I)I)C(=O)O; Ic1c(c(I)c(O)c(I)c1
    )CC(C(=O)O)CC    		 IOPHENOXIC ACID
    24699 IO4 4 C19 H13 Cl N4 O InChI=1S/C19H13ClN4O/c20-
    18-10-15(8-9-21-18)22-19(
    25)14-6-7-16-11-17(23-24(
    16)12-14)13-4-2-1-3-5-13/
    h1-12H,(H,21,22,25);
    DPLIZFKHTDLAGO-UHFFFAOYSA-N    		 Clc1nccc(c1)NC(=O)c1cn2nc(cc2cc1)c1ccccc
    1; Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)
    ccn1; c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4c
    cnc(c4)Cl    		 (8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
    24700 IO5 0 C24 H28 N6 O2 S InChI=1S/C24H28N6O2S/c1-2
    -18-19(15-25)23(30-10-6-9
    -29(11-12-30)13-14-31)28-
    24(20(18)16-26)33-21(22(2
    7)32)17-7-4-3-5-8-17/h3-5
    ,7-8,21,31H,2,6,9-14H2,1H
    3,(H2,27,32)/t21-/m0/s1;
    IHXXDZHXEBKTKE-NRFANRHFSA-N    		 CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N
    )N3CCCN(CC3)CCO)C#N; NC(=O)C(Sc1nc(N2CCC
    N(CCO)CC2)c(C#N)c(CC)c1C#N)c1ccccc1; CCc
    1c(C#N)c(S[CH](C(N)=O)c2ccccc2)nc(N3CCCN
    (CCO)CC3)c1C#N; CCc1c(C#N)c(S[C@H](C(N)=
    O)c2ccccc2)nc(N3CCCN(CCO)CC3)c1C#N; CCc1
    c(c(nc(c1C#N)SC(c2ccccc2)C(=O)N)N3CCCN(C
    C3)CCO)C#N    		 (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide
    24701 IO6 4 C12 H16 N2 O5 S2 InChI=1S/C12H16N2O5S2/c1-
    2-3-4-7-14-12(15)10-6-5-9
    (20(13,16)17)8-11(10)21(1
    4,18)19/h5-6,8H,2-4,7H2,1
    H3,(H2,13,16,17);
    QOTXJOQNXMTXOU-UHFFFAOYSA-N    		 CCCCCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N
    ; CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)
    (=O)=O    		 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide
    24702 IO7 4 C14 H16 F2 N6 O2 InChI=1S/C14H16F2N6O2/c1-
    20-12(9(7-17-20)14(24)21-
    4-2-5-21)13(23)18-11-3-6-
    22(19-11)8-10(15)16/h3,6-
    7,10H,2,4-5,8H2,1H3,(H,18
    ,19,23);
    OVCHQOHIOZNBKD-UHFFFAOYSA-N    		 Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn(CC(F)F)
    n3; Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn(n
    3)CC(F)F; O=C(c1cnn(C)c1C(=O)Nc1ccn(CC(F
    )F)n1)N1CCC1    		 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-1H-pyrazol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
    24703 IO8 0 C15 H14 N4 O3 InChI=1S/C15H14N4O3/c16-6
    -13-18-12(15(22)19(13)8-1
    4(20)21)5-9-7-17-11-4-2-1
    -3-10(9)11/h1-5,7,17H,6,8
    ,16H2,(H,20,21)/b12-5-;
    LTDNFCXBDXPOFY-XGICHPGQSA-N    		 c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)N(C(=N3)
    CN)CC(=O)O; NCC1=NC(=Cc2c[nH]c3ccccc23)C
    (=O)N1CC(O)=O; c1ccc2c(c1)c(c[nH]2)C=C3C
    (=O)N(C(=N3)CN)CC(=O)O; NCC1=NC(=C\c2c[n
    H]c3ccccc23)/C(=O)N1CC(O)=O    		 2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid;
    CHROMOPHORE (GLY-TRP-GLY)
    24704 IO9
    ZINC000001532865    		 4 C5 H6 O6 InChI=1S/C5H6O6/c6-2(4(8)
    9)1-3(7)5(10)11/h2,6H,1H2
    ,(H,8,9)(H,10,11)/t2-/m1/
    s1;
    WXSKVKPSMAHCSG-UWTATZPHSA-N    		 O[C@H](CC(=O)C(O)=O)C(O)=O; C(C(C(=O)O)O
    )C(=O)C(=O)O; O[CH](CC(=O)C(O)=O)C(O)=O;
    C([C@H](C(=O)O)O)C(=O)C(=O)O    		 (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid
    24705 IOA
    DB03039    		 1 C14 H12 F2 N2 O3 S InChI=1S/C14H12F2N2O3S/c1
    5-11-3-6-13(16)10(7-11)8-
    18-14(19)9-1-4-12(5-2-9)2
    2(17,20)21/h1-7H,8H2,(H,1
    8,19)(H2,17,20,21);
    KEGUALXMKQVDIO-UHFFFAOYSA-N    		 Fc1ccc(F)cc1CNC(=O)c2ccc(cc2)S(=O)(=O)N;
    c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N
    ; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)cc
    c2F    		 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE
    24706 IOB
    DB03339
    ZINC000000406922    		 2 C7 H7 I O InChI=1S/C7H7IO/c8-7-3-1-
    2-6(4-7)5-9/h1-4,9H,5H2;
    QGCCNWSXJHGUNL-UHFFFAOYSA-N    		 Ic1cc(ccc1)CO; OCc1cccc(I)c1; c1cc(cc(c1
    )I)CO    		 3-IODO-BENZYL ALCOHOL
    24707 IOC
    CHEMBL66907
    DB04549
    ZINC000003581208    		 2 C14 H11 F3 N2 O3 S InChI=1S/C14H11F3N2O3S/c1
    5-11-6-3-9(12(16)13(11)17
    )7-19-14(20)8-1-4-10(5-2-
    8)23(18,21)22/h1-6H,7H2,(
    H,19,20)(H2,18,21,22);
    AANTYZRUJFNZFI-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O
    )N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F
    )c(F)c2F; Fc1ccc(c(F)c1F)CNC(=O)c2ccc(cc
    2)S(=O)(=O)N    		 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
    24708 IOD
    DB12754    		 81 I InChI=1S/HI/h1H/p-1;
    XMBWDFGMSWQBCA-UHFFFAOYSA-M    		 [I-] IODIDE ION
    24709 IOE
    DB02221    		 1 C14 H11 F3 N2 O3 S InChI=1S/C14H11F3N2O3S/c1
    5-9-5-12(16)11(13(17)6-9)
    7-19-14(20)8-1-3-10(4-2-8
    )23(18,21)22/h1-6H,7H2,(H
    ,19,20)(H2,18,21,22);
    DVTYOTODFLDHRL-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O
    )N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)c
    c(F)cc2F; Fc1cc(F)cc(F)c1CNC(=O)c2ccc(cc
    2)S(=O)(=O)N    		 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
    24710 IOF
    DB02861
    ZINC000003581205    		 2 C14 H11 F3 N2 O3 S InChI=1S/C14H11F3N2O3S/c1
    5-11-5-8(6-12(16)13(11)17
    )7-19-14(20)9-1-3-10(4-2-
    9)23(18,21)22/h1-6H,7H2,(
    H,19,20)(H2,18,21,22);
    DEHMSTGBNAXEGX-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)c(F)
    c(F)c2; c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)
    F)S(=O)(=O)N; Fc1cc(cc(F)c1F)CNC(=O)c2cc
    c(cc2)S(=O)(=O)N    		 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
    24711 IOG
    CHEMBL241303
    ZINC000016052186    		 1 C33 H39 N3 O3 InChI=1S/C33H39N3O3/c1-24
    (10-11-25-12-14-27(37)15-
    13-25)34-32(38)23-30-29-1
    7-16-28(39-21-20-36-18-6-
    3-7-19-36)22-31(29)35-33(
    30)26-8-4-2-5-9-26/h2,4-5
    ,8-9,12-17,22,24,35,37H,3
    ,6-7,10-11,18-21,23H2,1H3
    ,(H,34,38)/t24-/m1/s1;
    FACGWONUFWMXPN-XMMPIXPASA-N    		 C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[
    nH]c2c4ccccc4)OCCN5CCCCC5; O=C(NC(C)CCc1
    ccc(O)cc1)Cc5c3ccc(OCCN2CCCCC2)cc3nc5c4c
    cccc4; C[C@H](CCc1ccc(O)cc1)NC(=O)Cc2c([
    nH]c3cc(OCCN4CCCCC4)ccc23)c5ccccc5; CC(C
    Cc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4c
    cccc4)OCCN5CCCCC5; C[CH](CCc1ccc(O)cc1)N
    C(=O)Cc2c([nH]c3cc(OCCN4CCCCC4)ccc23)c5c
    cccc5    		 N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
    24712 IOH 0 C3 H8 O InChI=1S/C3H8O/c1-3(2)4/h
    3-4H,1-2H3;
    KFZMGEQAYNKOFK-UHFFFAOYSA-N    		 OC(C)C; CC(C)O 2-PROPANOL, ISOPROPANOL
    24713 IOI 4 C23 H24 F N7 O3 InChI=1S/C23H24FN7O3/c1-4
    -29(2)22(33)17-13-25-30(3
    )20(17)21(32)27-19-8-10-3
    1-14-18(26-23(31)28-19)15
    -6-5-7-16(12-15)34-11-9-2
    4/h5-8,10,12-14H,4,9,11H2
    ,1-3H3,(H,26,27,28,32);
    JLXJSPCIVMCQRR-UHFFFAOYSA-N    		 CCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3n
    2)c4cccc(OCCF)c4; O=C(c1cnn(C)c1C(=O)Nc1
    ccn2cc(nc2n1)c1cccc(OCCF)c1)N(C)CC; CCN(
    C)C(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3n2)c4cc
    cc(c4)OCCF)C    		 N~4~-ethyl-N~5~-{(4S)-2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl}-N~4~,1-dimethyl-1H-pyrazole-4,5-dicarboxamide
    24714 IOK
    CHEMBL391910
    DB07991
    ZINC000016052185    		 2 C26 H26 N2 O2 InChI=1S/C26H26N2O2/c1-18
    (11-12-19-13-15-21(29)16-
    14-19)27-25(30)17-23-22-9
    -5-6-10-24(22)28-26(23)20
    -7-3-2-4-8-20/h2-10,13-16
    ,18,28-29H,11-12,17H2,1H3
    ,(H,27,30)/t18-/m1/s1;
    APLJSSOXDWUNGV-GOSISDBHSA-N    		 C[CH](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3ccc
    cc23)c4ccccc4; O=C(NC(C)CCc1ccc(O)cc1)Cc
    3c2ccccc2nc3c4ccccc4; C[C@H](CCc1ccc(O)c
    c1)NC(=O)Cc2c([nH]c3ccccc23)c4ccccc4; CC
    (CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4
    ccccc4; C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3
    ccccc3[nH]c2c4ccccc4    		 N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
    24715 IOL
    CHEMBL56475
    DB03002
    ZINC000000391103    		 12 C6 H5 I O InChI=1S/C6H5IO/c7-5-1-3-
    6(8)4-2-5/h1-4,8H;
    VSMDINRNYYEDRN-UHFFFAOYSA-N    		 Ic1ccc(O)cc1; Oc1ccc(I)cc1; c1cc(ccc1O)I 4-IODOPHENOL
    24716 IOM
    DB02490
    ZINC000019329420    		 3 C4 H11 N3 O2 InChI=1S/C4H11N3O2/c1-7(4
    (5)6)2-3(8)9/h4H,2,5-6H2,
    1H3,(H,8,9);
    YNHURFGTTODJOO-UHFFFAOYSA-N    		 O=C(O)CN(C)C(N)N; CN(CC(=O)O)C(N)N; CN(C
    C(O)=O)C(N)N    		 (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
    24717 ION 0 C15 H24 InChI=1S/C15H24/c1-11(2)1
    3-8-9-14-7-5-6-12(3)15(14
    ,4)10-13/h9,12-13H,1,5-8,
    10H2,2-4H3/t12-,13-,15+/m
    0/s1;
    YONHOSLUBQJXPR-KCQAQPDRSA-N    		 C[CH]1CCCC2=CC[CH](C[C]12C)C(C)=C; C[C@H
    ]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C; C[C@H]
    1CCCC2=CC[C@@H](C[C@]12C)C(C)=C; CC1CCCC
    2=CCC(CC12C)C(=C)C; C2=C1CCCC(C)C1(CC(\C
    (=C)C)C2)C    		 ARISTOLOCHENE;
    6-ISOPROPENYL-4,4A-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE
    24718 IOO 2 C17 H19 F2 N5 O8 P InChI=1S/C17H18F2N5O8P/c1
    8-8-2-1-7(3-9(8)19)4-23-6
    -24(14-11(23)15(27)22-17(
    20)21-14)16-13(26)12(25)1
    0(32-16)5-31-33(28,29)30/
    h1-3,6,10,12-13,16,25-26H
    ,4-5H2,(H4-,20,21,22,27,2
    8,29,30)/p+1/t10-,12-,13-
    ,16-/m1/s1;
    BIHPVAUGYOUOAQ-XNIJJKJLSA-O    		 c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@
    H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)
    O)F)F; NC1=Nc2n(c[n+](Cc3ccc(F)c(F)c3)c2
    C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]4O; c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=
    N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)F)F; NC1
    =Nc2n(c[n+](Cc3ccc(F)c(F)c3)c2C(=O)N1)[C
    @@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]
    4O    		 N7-(3,4-difluorobenzyl) guanosine 5'-monophosphate;
    [(2R,3S,4R,5R)-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1H-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
    24719 IOP
    CHEMBL207225
    DB02758
    ZINC000000007700    		 17 C11 H11 N O2 InChI=1S/C11H11NO2/c13-11
    (14)6-5-8-7-12-10-4-2-1-3
    -9(8)10/h1-4,7,12H,5-6H2,
    (H,13,14);
    GOLXRNDWAUTYKT-UHFFFAOYSA-N    		 O=C(O)CCc2c1ccccc1nc2; c1ccc2c(c1)c(c[nH
    ]2)CCC(=O)O; OC(=O)CCc1c[nH]c2ccccc12    		 INDOLYLPROPIONIC ACID
    24720 IOQ
    CHEMBL1908059
    ZINC000004261850    		 1 C20 H10 Cl2 O5 InChI=1S/C20H10Cl2O5/c21-
    13-5-11-17(7-15(13)23)26-
    18-8-16(24)14(22)6-12(18)
    20(11)10-4-2-1-3-9(10)19(
    25)27-20/h1-8,23-24H;
    VFNKZQNIXUFLBC-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)OC23c4cc(c(cc4Oc5c3cc(c(
    c5)O)Cl)O)Cl; Oc1cc2Oc3cc(O)c(Cl)cc3[C@@
    ]4(OC(=O)c5ccccc45)c2cc1Cl; Oc1cc2Oc3cc(
    O)c(Cl)cc3[C]4(OC(=O)c5ccccc45)c2cc1Cl    		 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one;
    2',7'-Dichlorofluorescein
    24721 IOR
    ZINC000014592707    		 1 C9 H16 N4 O3 InChI=1S/C9H16N4O3/c1-5-7
    (14)13-9(12-5)11-4-2-3-6(
    10)8(15)16/h5-6H,2-4,10H2
    ,1H3,(H,15,16)(H2,11,12,1
    3,14)/t5-,6+/m1/s1;
    KGQMQNPFMOBJCY-RITPCOANSA-N    		 CC1C(=O)N=C(N1)NCCCC(C(=O)O)N; C[C@H]1NC
    (=NC1=O)NCCC[C@H](N)C(O)=O; C[CH]1NC(=NC
    1=O)NCCC[CH](N)C(O)=O; C[C@@H]1C(=O)N=C(
    N1)NCCC[C@@H](C(=O)O)N; O=C1N=C(NCCCC(C(
    =O)O)N)NC1C    		 N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine
    24722 IOS
    CHEMBL1233636
    DB07992
    ZINC000001997119    		 6 C8 H7 N O4 S InChI=1S/C8H7NO4S/c10-14(
    11,12)13-8-5-9-7-4-2-1-3-
    6(7)8/h1-5,9H,(H,10,11,12
    );
    BXFFHSIDQOFMLE-UHFFFAOYSA-N    		 O=S(=O)(O)Oc2c1ccccc1nc2; c1ccc2c(c1)c(c
    [nH]2)OS(=O)(=O)O; O[S](=O)(=O)Oc1c[nH]c
    2ccccc12    		 3-SULFOOXY-1H-INDOLE
    24723 IOT
    ZINC000015682440    		 2 C18 H28 N9 O10 P InChI=1S/C18H28N9O10P/c19
    -14-11-15(25-6-24-14)27(7
    -26-11)16-13(30)12(29)9(3
    6-16)5-35-38(33,34)37-10(
    28)4-23-8(17(31)32)2-1-3-
    22-18(20)21/h6-9,12-13,16
    ,23,29-30H,1-5H2,(H,31,32
    )(H,33,34)(H2,19,24,25)(H
    4,20,21,22)/t8-,9+,12+,13
    +,16+/m0/s1;
    PLEMKERVZBXYMR-CWPZRQPOSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCN
    C(=N)N)C(=O)O)O)O)N; NC(=N)NCCC[CH](NCC(
    =O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O
    )n2cnc3c(N)ncnc23)C(O)=O; O=C(O)C(NCC(=O
    )OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
    O)CCCNC(=[N@H])N; c1nc(c2c(n1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)OC(=O)CNC(CCCNC(=N)N)C(
    =O)O)O)O)N; NC(=N)NCCC[C@H](NCC(=O)O[P@@
    ](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    n2cnc3c(N)ncnc23)C(O)=O    		 ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER
    24724 IOU 4 C17 H24 N8 InChI=1S/C17H24N8/c1-11-7
    -8-24(10-11)17-20-15(23(4
    )22-17)6-5-14-19-16-13(3)
    18-9-12(2)25(16)21-14/h9,
    11H,5-8,10H2,1-4H3;
    ODLMWWMAGVZRPO-UHFFFAOYSA-N    		 C[C@H]1CCN(C1)c2nn(C)c(CCc3nn4c(C)cnc(C)
    c4n3)n2; C[CH]1CCN(C1)c2nn(C)c(CCc3nn4c(
    C)cnc(C)c4n3)n2; Cc1cnc(c2n1nc(n2)CCc3nc
    (nn3C)N4CCC(C4)C)C; Cc1cnc(c2n1nc(n2)CCc
    3nc(nn3C)N4CC[C@@H](C4)C)C; Cn1nc(nc1CCc
    1nc2c(C)ncc(C)n2n1)N1CC(C)CC1    		 (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(3S)-3-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine
    24725 IOV
    ZINC000002095828    		 2 C17 H22 N2 O6 S InChI=1S/C17H22N2O6S/c1-3
    -25-17(24)11-8(2)12(13(18
    )20)26-15(11)19-14(21)9-6
    -4-5-7-10(9)16(22)23/h9-1
    0H,3-7H2,1-2H3,(H2,18,20)
    (H,19,21)(H,22,23)/t9-,10
    +/m0/s1;
    AGKODQIAZDTMGB-VHSXEESVSA-N    		 CCOC(=O)c1c(c(sc1NC(=O)C2CCCCC2C(=O)O)C(
    =O)N)C; CCOC(=O)c1c(c(sc1NC(=O)[C@H]2CCC
    C[C@H]2C(=O)O)C(=O)N)C; O=C(Nc1sc(c(C)c1
    C(=O)OCC)C(N)=O)C1CCCCC1C(=O)O; CCOC(=O)
    c1c(C)c(sc1NC(=O)[C@H]2CCCC[C@H]2C(O)=O)
    C(N)=O; CCOC(=O)c1c(C)c(sc1NC(=O)[CH]2CC
    CC[CH]2C(O)=O)C(N)=O    		 (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
    24726 IOW
    ZINC000001529880    		 1 C6 H8 O6 InChI=1S/C6H8O6/c1-6(12,5
    (10)11)2-3(7)4(8)9/h12H,2
    H2,1H3,(H,8,9)(H,10,11)/t
    6-/m0/s1;
    YRWAMSXHYBBHFL-LURJTMIESA-N    		 C[C@](O)(CC(=O)C(O)=O)C(O)=O; CC(CC(=O)C
    (=O)O)(C(=O)O)O; C[C](O)(CC(=O)C(O)=O)C(
    O)=O; C[C@](CC(=O)C(=O)O)(C(=O)O)O    		 (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid
    24727 IOX 0 C7 H8 O3 S InChI=1S/C7H8O3S/c8-11(9,
    10)6-7-4-2-1-3-5-7/h1-5H,
    6H2,(H,8,9,10);
    NIXKBAZVOQAHGC-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)O; O=S(=O)(O)Cc1cccc
    c1; O[S](=O)(=O)Cc1ccccc1    		 phenylmethanesulfonic acid
    24728 IOY
    CHEMBL1233638
    DB04713
    ZINC000003679925    		 1 C9 H10 I N O2 InChI=1S/C9H10INO2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,11H2,(H,12,13
    )/t8-/m1/s1;
    PZNQZSRPDOEBMS-MRVPVSSYSA-N    		 N[CH](Cc1ccc(I)cc1)C(O)=O; N[C@H](Cc1ccc
    (I)cc1)C(O)=O; c1cc(ccc1CC(C(=O)O)N)I; c
    1cc(ccc1C[C@H](C(=O)O)N)I; Ic1ccc(cc1)CC
    (C(=O)O)N    		 P-IODO-D-PHENYLALANINE;
    4-IODOPHENYLALANINE
    24729 IOZ
    CHEMBL3931252    		 4 C16 H22 N8 InChI=1S/C16H22N8/c1-11-1
    0-17-12(2)15-18-13(21-24(
    11)15)6-7-14-19-16(22(3)2
    0-14)23-8-4-5-9-23/h10H,4
    -9H2,1-3H3;
    MFSAVONGMFLUNG-UHFFFAOYSA-N    		 Cc1cnc(c2n1nc(n2)CCc3nc(n(n3)C)N4CCCC4)C
    ; Cn1nc(CCc2nn3c(C)cnc(C)c3n2)nc1N4CCCC4
    ; Cn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1    		 (4S)-5,8-dimethyl-2-{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
    24730 IP0
    CHEMBL30018
    ZINC000001680692    		 1 C9 H12 O InChI=1S/C9H12O/c1-7(2)8-
    5-3-4-6-9(8)10/h3-7,10H,1
    -2H3;
    CRBJBYGJVIBWIY-UHFFFAOYSA-N    		 Oc1ccccc1C(C)C; CC(C)c1ccccc1O 2-(1-methylethyl)phenol
    24731 IP1
    DB03550
    ZINC000004096831    		 5 C14 H21 N3 O6 S InChI=1S/C14H21N3O6S/c1-1
    4(2)9(13(22)23)17-10(19)8
    (11(17)24-14)16-7(18)5-3-
    4-6(15)12(20)21/h6,8-9,11
    H,3-5,15H2,1-2H3,(H,16,18
    )(H,20,21)(H,22,23)/t6-,8
    +,9-,11+/m0/s1;
    MIFYHUACUWQUKT-GTQWGBSQSA-N    		 CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(O
    )=O)C(=O)N2[C@H]1C(O)=O; O=C(O)C1N2C(=O)
    C(NC(=O)CCCC(C(=O)O)N)C2SC1(C)C; CC1(C)S
    [CH]2[CH](NC(=O)CCC[CH](N)C(O)=O)C(=O)N2
    [CH]1C(O)=O; CC1(C(N2C(S1)C(C2=O)NC(=O)C
    CCC(C(=O)O)N)C(=O)O)C; CC1([C@@H](N2[C@H
    ](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)
    N)C(=O)O)C    		 ISOPENICILLIN N
    24732 IP2
    CHEMBL21825
    ZINC000004096301    		 5 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-1-
    2(8)4(10)6(18-20(14,15)16
    )5(3(1)9)17-19(11,12)13/h
    1-10H,(H2,11,12,13)(H2,14
    ,15,16)/t1-,2+,3-,4-,5+,6
    +/m0/s1;
    MCKAJXMRULSUKI-UZAAGFTCSA-N    		 C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O
    )O; O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](
    O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O; [C@H
    ]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP
    (=O)(O)O)OP(=O)(O)O)O)O)O; O[CH]1[CH](O)
    [CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)
    =O)[CH]1O; O=P(OC1C(O)C(O)C(O)C(O)C1OP(=
    O)(O)O)(O)O    		 D-MYO-INOSITOL-4,5-BISPHOSPHATE
    24733 IP3 0 C5 H12 O InChI=1S/C5H12O/c1-5(2)3-
    4-6/h5-6H,3-4H2,1-2H3;
    PHTQWCKDNZKARW-UHFFFAOYSA-N    		 OCCC(C)C; CC(C)CCO 1-HYDROXY-3-METHYLBUTANE
    24734 IP4 0 C7 H13 N O InChI=1S/C7H13NO/c1-7(2)5
    -4-6(9)8(7)3/h4-5H2,1-3H3;
    YARDEGUIPATLSG-UHFFFAOYSA-N    		 O=C1N(C)C(C)(C)CC1; CC1(CCC(=O)N1C)C; CN
    1C(=O)CCC1(C)C    		 1-METHYL-2-OXY-5,5-DIMETHYL PYRROLIDINE
    24735 IP5
    ZINC000100016189    		 3 C6 H17 O21 P5 InChI=1S/C6H17O21P5/c7-1-
    2(23-28(8,9)10)4(25-30(14
    ,15)16)6(27-32(20,21)22)5
    (26-31(17,18)19)3(1)24-29
    (11,12)13/h1-7H,(H2,8,9,1
    0)(H2,11,12,13)(H2,14,15,
    16)(H2,17,18,19)(H2,20,21
    ,22)/t1-,2-,3+,4-,5-,6-/m
    0/s1;
    CTPQAXVNYGZUAJ-PTQMNWPWSA-N    		 O[C@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(
    O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O
    )=O)[C@@H]1O[P](O)(O)=O; C1([C@@H]([C@@H
    ](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)O
    P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O; O=P(O
    C1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)
    (O)O)C1OP(=O)(O)O)(O)O; C1(C(C(C(C(C1OP(
    =O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
    )OP(=O)(O)O)O; O[CH]1[CH](O[P](O)(O)=O)[
    CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](
    O[P](O)(O)=O)[CH]1O[P](O)(O)=O    		 (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)];
    D-MYO-INS(1,2,3,4,5)P5
    24736 IP6
    CHEMBL220896
    DB07993
    ZINC000011525589    		 1 C20 H18 N4 InChI=1S/C20H18N4/c21-20-
    18(5-2-9-23-20)24-13-14-3
    -1-4-16(11-14)17-7-6-15-8
    -10-22-19(15)12-17/h1-12,
    22,24H,13H2,(H2,21,23);
    LPQUIIHPUGDHJK-UHFFFAOYSA-N    		 c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N;
    Nc1ncccc1NCc2cccc(c2)c3ccc4cc[nH]c4c3;
    n1cccc(c1N)NCc4cccc(c2ccc3c(c2)ncc3)c4    		 N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE
    24737 IP7
    CHEMBL220428
    DB07994
    ZINC000011726159    		 1 C26 H23 N5 O InChI=1S/C26H23N5O/c27-26
    -23(5-3-12-30-26)31-16-21
    -14-19(20-7-6-18-10-13-29
    -24(18)15-20)8-9-25(21)32
    -17-22-4-1-2-11-28-22/h1-
    15,29,31H,16-17H2,(H2,27,
    30);
    KMBPJSHPAXOXBT-UHFFFAOYSA-N    		 Nc1ncccc1NCc2cc(ccc2OCc3ccccn3)c4ccc5cc[
    nH]c5c4; n1ccccc1COc4ccc(c2ccc3c(c2)ncc3
    )cc4CNc5cccnc5N; c1ccnc(c1)COc2ccc(cc2CN
    c3cccnc3N)c4ccc5cc[nH]c5c4    		 N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE
    24738 IP8
    CHEMBL342070
    ZINC000002557111    		 9 C5 H11 O4 P InChI=1S/C5H11O4P/c1-5(2)
    3-4-9-10(6,7)8/h1,3-4H2,2
    H3,(H2,6,7,8);
    QMZRXYCCCYYMHF-UHFFFAOYSA-N    		 O=P(OCCC(=C)\C)(O)O; CC(=C)CCOP(=O)(O)O;
    CC(=C)CCO[P](O)(O)=O    		 Isopentenyl phosphate;
    3-methylbut-3-en-1-yl dihydrogen phosphate
    24739 IP9
    CHEMBL1233642
    ZINC000097949355    		 7 C25 H50 O22 P4 InChI=1S/C25H50O22P4/c1-3
    -5-7-9-11-13-18(26)41-15-
    17(43-19(27)14-12-10-8-6-
    4-2)16-42-51(39,40)47-22-
    20(28)23(44-48(30,31)32)2
    5(46-50(36,37)38)24(21(22
    )29)45-49(33,34)35/h17,20
    -25,28-29H,3-16H2,1-2H3,(
    H,39,40)(H2,30,31,32)(H2,
    33,34,35)(H2,36,37,38)/t1
    7-,20+,21+,22-,23+,24-,25
    -/m1/s1;
    ANFYVAHJWGJYAT-QLCNXWICSA-N    		 CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O
    )OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=
    O)CCCCCCC; CCCCCCCC(=O)OC[CH](CO[P](O)(=
    O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[
    P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=
    O)CCCCCCC; CCCCCCCC(=O)OC[C@H](CO[P@@](=
    O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(
    =O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CC
    CCCCC; CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O
    [C@@H]1[C@H](O)[C@H](O[P](O)(O)=O)[C@@H]
    (O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O
    )OC(=O)CCCCCCC; O=C(OCC(OC(=O)CCCCCCC)CO
    P(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O
    )C(OP(=O)(O)O)C1O)CCCCCCC    		 (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate;
    L-a-Phosphatidyl-D-myo-inositol 3,4,5-triphosphate, dioctanoyl;
    [(2R)-3-[[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexyl]oxy-hydroxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
    24740 IPA
    CHEMBL582
    DB02325
    ZINC000000901159    		 14 C3 H8 O InChI=1S/C3H8O/c1-3(2)4/h
    3-4H,1-2H3;
    KFZMGEQAYNKOFK-UHFFFAOYSA-N    		 OC(C)C; CC(C)O ISOPROPYL ALCOHOL;
    2-PROPANOL
    24741 IPB
    CHEMBL29411
    DB02513
    ZINC000000967597    		 7 C10 H14 O InChI=1S/C10H14O/c1-7(2)9
    -5-4-8(3)6-10(9)11/h4-7,1
    1H,1-3H3;
    MGSRCZKZVOBKFT-UHFFFAOYSA-N    		 CC(C)c1ccc(C)cc1O; Cc1ccc(c(c1)O)C(C)C;
    Oc1cc(ccc1C(C)C)C    		 5-METHYL-2-(1-METHYLETHYL)PHENOL
    24742 IPC
    CHEMBL168083
    DB03647
    ZINC000003648491    		 1 C22 H21 N O3 S InChI=1S/C22H21NO3S/c1-14
    (2)23(21(24)17-11-9-15(3)
    10-12-17)18-13-19(27-20(1
    8)22(25)26)16-7-5-4-6-8-1
    6/h4-14H,1-3H3,(H,25,26);
    LRHXIDOGMBZJFN-UHFFFAOYSA-N    		 Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc
    3)C(C)C; CC(C)N(C(=O)c1ccc(C)cc1)c2cc(sc
    2C(O)=O)c3ccccc3; O=C(O)c2sc(cc2N(C(=O)c
    1ccc(cc1)C)C(C)C)c3ccccc3    		 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
    24743 IPD 23 C6 H11 O9 P InChI=1S/C6H13O9P/c7-1-2(
    8)4(10)6(5(11)3(1)9)15-16
    (12,13)14/h1-11H,(H2,12,1
    3,14)/p-2/t1-,2-,3+,4-,5-
    ,6-/m1/s1;
    INAPMGSXUVUWAF-UOTPTPDRSA-L    		 O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O; O
    [C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P]([O-
    ])([O-])=O)[C@H](O)[C@H]1O; [C@H]1([C@H]
    (C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-
    ])O)O; C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-]
    )O)O)O; O[CH]1[CH](O)[CH](O)[CH](O[P]([O
    -])([O-])=O)[CH](O)[CH]1O    		 D-MYO-INOSITOL-1-PHOSPHATE
    24744 IPE
    CHEMBL356362
    DB04714
    ZINC000008215654    		 151 C5 H12 O7 P2 InChI=1S/C5H12O7P2/c1-5(2
    )3-4-11-14(9,10)12-13(6,7
    )8/h1,3-4H2,2H3,(H,9,10)(
    H2,6,7,8);
    NUHSROFQTUXZQQ-UHFFFAOYSA-N    		 CC(=C)CCO[P](O)(=O)O[P](O)(O)=O; CC(=C)C
    COP(=O)(O)OP(=O)(O)O; O=P(OP(=O)(O)O)(OC
    C\C(=C)C)O; CC(=C)CCO[P@@](=O)(O)OP(=O)(
    O)O; CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O    		 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE;
    ISOPENTENYL PYROPHOSPHATE
    24745 IPF
    CHEMBL1233644
    ZINC000150344040    		 2 C50 H64 N8 O8 InChI=1S/C50H64N8O8/c1-28
    (2)43(56-47(63)40(53-30(5
    )59)24-33-26-51-37-19-12-
    10-17-35(33)37)49(65)55-3
    9(23-32-15-8-7-9-16-32)45
    (61)46(62)42-21-14-22-58(
    42)50(66)44(29(3)4)57-48(
    64)41(54-31(6)60)25-34-27
    -52-38-20-13-11-18-36(34)
    38/h7-13,15-20,26-29,39-4
    6,51-52,61-62H,14,21-25H2
    ,1-6H3,(H,53,59)(H,54,60)
    (H,55,65)(H,56,63)(H,57,6
    4)/t39-,40-,41-,42-,43-,4
    4-,45-,46-/m0/s1;
    BDIYLIYACVEIHS-QVWIHFFISA-N    		 CC(C)[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)N
    C(C)=O)C(=O)N[CH](Cc3ccccc3)[CH](O)[CH](
    O)[CH]4CCCN4C(=O)[CH](NC(=O)[CH](Cc5c[nH
    ]c6ccccc56)NC(C)=O)C(C)C; CC(C)C(C(=O)NC
    (Cc1ccccc1)C(C(C2CCCN2C(=O)C(C(C)C)NC(=O
    )C(Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)C
    (Cc5c[nH]c6c5cccc6)NC(=O)C; CC(C)[C@H](N
    C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=
    O)N[C@@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@
    @H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](Cc5c[nH
    ]c6ccccc56)NC(C)=O)C(C)C; O=C(NC(C(=O)NC
    (C(=O)NC(Cc1ccccc1)C(O)C(O)C4N(C(=O)C(NC
    (=O)C(NC(=O)C)Cc3c2ccccc2nc3)C(C)C)CCC4)
    C(C)C)Cc6c5ccccc5nc6)C; CC(C)[C@@H](C(=O
    )N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2C
    CCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH
    ]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[
    nH]c6c5cccc6)NC(=O)C    		 N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE
    24746 IPG
    ZINC000001687617    		 0 C5 H11 N O2 InChI=1S/C5H11NO2/c1-4(2)
    6-3-5(7)8/h4,6H,3H2,1-2H3
    ,(H,7,8);
    HEPOIJKOXBKKNJ-UHFFFAOYSA-N    		 O=C(O)CNC(C)C; CC(C)NCC(=O)O; CC(C)NCC(O
    )=O    		 N-ISOPROPYL GLYCINE
    24747 IPH
    CHEMBL14060
    DB03255
    ZINC000005133329    		 80 C6 H6 O InChI=1S/C6H6O/c7-6-4-2-1
    -3-5-6/h1-5,7H;
    ISWSIDIOOBJBQZ-UHFFFAOYSA-N    		 Oc1ccccc1; c1ccc(cc1)O PHENOL
    24748 IPI
    CHEMBL41600    		 0 C5 H13 O3 P InChI=1S/C5H13O3P/c1-5(2)
    3-4-9(6,7)8/h5H,3-4H2,1-2
    H3,(H2,6,7,8);
    OHMSWSFFCKZMGL-UHFFFAOYSA-N    		 CC(C)CC[P](O)(O)=O; CC(C)CCP(=O)(O)O 3-methylbutylphosphonic acid;
    isoamylphosphonic acid
    24749 IPJ
    CHEMBL7747
    ZINC000004090723    		 6 C15 H12 O2 InChI=1S/C15H12O2/c16-14-
    9-6-12(7-10-14)8-11-15(17
    )13-4-2-1-3-5-13/h1-11,16
    H/b11-8+;
    PWWCDTYUYPOAIU-DHZHZOJOSA-N    		 c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O; c1ccc(c
    c1)C(=O)C=Cc2ccc(cc2)O; Oc1ccc(cc1)\C=C\
    C(=O)c2ccccc2; Oc1ccc(cc1)C=CC(=O)c2cccc
    c2    		 4-hydroxy-chalcone
    24750 IPK 1 C26 H26 N4 O S InChI=1S/C26H26N4OS/c31-2
    5(30-14-11-20(12-15-30)16
    -19-4-2-1-3-5-19)22-8-6-2
    1(7-9-22)18-32-26-28-23-1
    0-13-27-17-24(23)29-26/h1
    -10,13,17,20H,11-12,14-16
    ,18H2,(H,28,29);
    KFOSXSJIKYKUQH-UHFFFAOYSA-N    		 c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4
    [nH]c5cnccc5n4; O=C(N1CCC(CC1)Cc2ccccc2)
    c3ccc(CSc4[nH]c5cnccc5n4)cc3; O=C(c1ccc(
    cc1)CSc3nc2ccncc2n3)N5CCC(Cc4ccccc4)CC5    		 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine
    24751 IPL
    CHEMBL74074
    DB03171    		 1 C11 H14 N O4 P InChI=1S/C11H14NO4P/c13-1
    7(14,15)16-7-3-4-9-8-12-1
    1-6-2-1-5-10(9)11/h1-2,5-
    6,8,12H,3-4,7H2,(H2,13,14
    ,15);
    NKEZSFZOUIIZFL-UHFFFAOYSA-N    		 O[P](O)(=O)OCCCc1c[nH]c2ccccc12; c1ccc2c
    (c1)c(c[nH]2)CCCOP(=O)(O)O; O=P(O)(O)OCC
    Cc2c1ccccc1nc2    		 INDOLE-3-PROPANOL PHOSPHATE
    24752 IPM
    CHEMBL376564
    ZINC000000902052    		 35 C7 H12 O5 InChI=1S/C7H12O5/c1-3(2)4
    (6(9)10)5(8)7(11)12/h3-5,
    8H,1-2H3,(H,9,10)(H,11,12
    )/t4-,5+/m0/s1;
    RNQHMTFBUSSBJQ-CRCLSJGQSA-N    		 CC(C)[CH]([CH](O)C(O)=O)C(O)=O; CC(C)[C@
    @H]([C@H](C(=O)O)O)C(=O)O; CC(C)[C@@H]([
    C@@H](O)C(O)=O)C(O)=O; O=C(O)C(O)C(C(=O)
    O)C(C)C; CC(C)C(C(C(=O)O)O)C(=O)O    		 3-ISOPROPYLMALIC ACID
    24753 IPN 0 C10 H14 I N4 O5 InChI=1S/C10H13IN4O5/c11-
    6-3-15(10(20)13-9(6)19)4-
    7(16)14(2-1-12)5-8(17)18/
    h3H,1-2,4-5,12H2,(H,17,18
    )(H,13,19,20)/p+1;
    OQZZDVVRGNVUJR-UHFFFAOYSA-O    		 C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O
    )O)I; [NH3+]CCN(CC(O)=O)C(=O)CN1C=C(I)C(
    =O)NC1=O; O=C(N(CC(=O)O)CC[NH3+])CN1C=C(
    I)C(=O)NC1=O    		 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-5-IODOURACIL
    24754 IPO
    DB01980
    ZINC000006707115    		 1 C9 H11 I N2 O2 InChI=1S/C9H11IN2O2/c10-7
    -3-1-6(2-4-7)5-8(11)9(13)
    12-14/h1-4,8,14H,5,11H2,(
    H,12,13)/t8-/m1/s1;
    AJEPKWPHKPETBM-MRVPVSSYSA-N    		 c1cc(ccc1C[C@H](C(=O)NO)N)I; N[C@H](Cc1c
    cc(I)cc1)C(=O)NO; c1cc(ccc1CC(C(=O)NO)N)
    I; N[CH](Cc1ccc(I)cc1)C(=O)NO; Ic1ccc(cc
    1)CC(C(=O)NO)N    		 PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID
    24755 IPP
    DB04123
    ZINC000003870423    		 2 C9 H11 I N O3 P InChI=1S/C9H11INO3P/c10-8
    -3-1-7(2-4-8)5-9(12)11-6-
    15(13)14/h1-4,15H,5-6H2,(
    H,11,12)(H,13,14);
    NJMHQBSYSLWOQF-UHFFFAOYSA-N    		 c1cc(ccc1CC(=O)NC[P@H](=O)O)I; O[P@@H](=
    O)CNC(=O)Cc1ccc(I)cc1; c1cc(ccc1CC(=O)NC
    P(=O)O)I; O[PH](=O)CNC(=O)Cc1ccc(I)cc1;
    Ic1ccc(cc1)CC(=O)NCP(=O)O    		 (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID
    24756 IPQ 4 C12 H10 F2 N5 O InChI=1S/C12H9F2N5O/c13-7
    -2-1-6(3-8(7)14)4-19-5-16
    -10-9(19)11(20)18-12(15)1
    7-10/h1-3,5H,4H2,(H3,15,1
    7,18,20)/p+1;
    NBTRICCNNMIXFE-UHFFFAOYSA-O    		 c1cc(c(cc1C[n+]2c[nH]c3c2c(nc(n3)N)O)F)F
    ; Nc1nc(O)c2c([nH]c[n+]2Cc3ccc(F)c(F)c3)
    n1    		 N7-(3,4-difluorobenzyl) guanine;
    2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9H-purin-7-ium-6-ol
    24757 IPR
    DB02508
    ZINC000002579357    		 25 C5 H14 O7 P2 InChI=1S/C5H14O7P2/c1-5(2
    )3-4-11-14(9,10)12-13(6,7
    )8/h5H,3-4H2,1-2H3,(H,9,1
    0)(H2,6,7,8);
    IPFXNYPSBSIFOB-UHFFFAOYSA-N    		 CC(C)CCOP(=O)(O)OP(=O)(O)O; CC(C)CCO[P@]
    (O)(=O)O[P](O)(O)=O; CC(C)CCO[P](O)(=O)O
    [P](O)(O)=O; O=P(OP(=O)(O)O)(OCCC(C)C)O;
    CC(C)CCO[P@@](=O)(O)OP(=O)(O)O    		 ISOPENTYL PYROPHOSPHATE
    24758 IPS 0 H O4 P InChI=1/H3O4P/c1-5(2,3)4/
    h(H3,1,2,3,4)/p-2/fHO4P/h
    1H/q-2;
    NBIIXXVUZAFLBC-CCWBEWRDCN    		 [O-]P([O-])(=O)O; OP(=O)([O-])[O-]; O[P]
    ([O-])([O-])=O    		 INORGANIC PHOSPHATE GROUP
    24759 IPT
    DB01862
    ZINC000004261913    		 105 C9 H18 O5 S InChI=1S/C9H18O5S/c1-4(2)
    15-9-8(13)7(12)6(11)5(3-1
    0)14-9/h4-13H,3H2,1-2H3/t
    5-,6+,7+,8-,9+/m1/s1;
    BPHPUYQFMNQIOC-NXRLNHOXSA-N    		 CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[
    C@H]1O; S(C(C)C)C1OC(C(O)C(O)C1O)CO; CC(
    C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)
    O)O)O; CC(C)SC1C(C(C(C(O1)CO)O)O)O; CC(C
    )S[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O    		 1-methylethyl 1-thio-beta-D-galactopyranoside;
    ISOPROPYL-1-BETA-D-THIOGALACTOSIDE;
    1-(ISOPROPYLTHIO)-BETA-GALACTOPYRANSIDE;
    1-methylethyl 1-thio-beta-D-galactoside;
    1-methylethyl 1-thio-D-galactoside;
    1-methylethyl 1-thio-galactoside
    24760 IPU
    CHEMBL483091
    DB04018
    ZINC000003806248    		 6 C4 H10 N2 S InChI=1S/C4H10N2S/c1-3(2)
    7-4(5)6/h3H,1-2H3,(H3,5,6
    );
    XSSNABKEYXKKMK-UHFFFAOYSA-N    		 CC(C)SC(N)=N; CC(C)SC(=N)N; [N@H]=C(SC(C
    )C)N    		 S-ISOPROPYL-ISOTHIOUREA
    24761 IPV
    CHEMBL1762546
    ZINC000071317052    		 1 C24 H29 N5 O4 S InChI=1S/C24H29N5O4S/c1-1
    7-4-5-18(16-30)12-22(17)2
    8(2)23-6-7-25-24(27-23)26
    -19-13-20(29-8-10-33-11-9
    -29)15-21(14-19)34(3,31)3
    2/h4-7,12-15,30H,8-11,16H
    2,1-3H3,(H,25,26,27);
    IVWHSTCJCURGMH-UHFFFAOYSA-N    		 CN(c1ccnc(Nc2cc(cc(c2)[S](C)(=O)=O)N3CCO
    CC3)n1)c4cc(CO)ccc4C; Cc1ccc(cc1N(C)c2cc
    nc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO    		 [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
    24762 IPW
    CHEMBL3596908
    ZINC000473082920    		 2 C22 H20 Cl N5 O InChI=1S/C22H20ClN5O/c23-
    17-3-1-14(2-4-17)21(29)20
    -12-26-22-19(20)9-15(10-2
    5-22)16-11-27-28(13-16)18
    -5-7-24-8-6-18/h1-4,9-13,
    18,24H,5-8H2,(H,25,26);
    AJHFOGJCDKOZKC-UHFFFAOYSA-N    		 Clc1ccc(cc1)C(=O)c2c[nH]c3ncc(cc23)c4cnn
    (c4)C5CCNCC5; c1cc(ccc1C(=O)c2c[nH]c3c2c
    c(cn3)c4cnn(c4)C5CCNCC5)Cl    		 (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone
    24763 IPX
    CHEMBL1233652
    ZINC000058649481    		 2 C22 H21 F N2 O3 InChI=1S/C22H21FN2O3/c23-
    15-8-9-18-14(10-15)12-20(
    24-18)22(28)25-19-11-13-4
    -1-2-5-16(13)17(19)6-3-7-
    21(26)27/h1-2,4-5,8-10,12
    ,17,19,24H,3,6-7,11H2,(H,
    25,28)(H,26,27)/t17-,19-/
    m1/s1;
    DLZZNQTXKPJOKN-IEBWSBKVSA-N    		 c1ccc2c(c1)CC(C2CCCC(=O)O)NC(=O)c3cc4cc(
    ccc4[nH]3)F; OC(=O)CCC[CH]1[CH](Cc2ccccc
    12)NC(=O)c3[nH]c4ccc(F)cc4c3; OC(=O)CCC[
    C@H]1[C@@H](Cc2ccccc12)NC(=O)c3[nH]c4ccc
    (F)cc4c3; O=C(O)CCCC4c1ccccc1CC4NC(=O)c3
    cc2cc(F)ccc2n3; c1ccc2c(c1)C[C@H]([C@@H]
    2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F    		 4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid
    24764 IPY 0 C31 H42 N11 O5 InChI=1S/C31H41N11O5/c1-3
    8(2)12-7-9-32-26(43)8-10-
    34-28(44)23-14-20(17-40(2
    3)4)35-29(45)24-15-21(18-
    41(24)5)36-30(46)25-16-22
    (19-42(25)6)37-31(47)27-3
    3-11-13-39(27)3/h11,13-19
    H,7-10,12H2,1-6H3,(H,32,4
    3)(H,34,44)(H,35,45)(H,36
    ,46)(H,37,47)/p+1;
    NCFLEKZHRQALKT-UHFFFAOYSA-O    		 Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c
    (c3)C(=O)Nc4cn(C)c(c4)C(=O)NCCC(=O)NCCC[
    NH+](C)C; O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1c
    c(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2
    )C)n(c3)C)c4nccn4C; Cn1ccnc1C(=O)Nc2cc(n
    (c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)
    C)C(=O)NCCC(=O)NCCC[NH+](C)C    		 IMIDAZOLE-PYRROLE POLYAMIDE;
    IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    24765 IPZ
    CHEMBL96852
    DB01760
    ZINC000000156526    		 1 C8 H12 N2 O InChI=1S/C8H12N2O/c1-6(2)
    7-8(11-3)10-5-4-9-7/h4-6H
    ,1-3H3;
    NTOPKICPEQUPPH-UHFFFAOYSA-N    		 COc1nccnc1C(C)C; O(c1nccnc1C(C)C)C; CC(C
    )c1c(nccn1)OC    		 2-ISOPROPYL-3-METHOXYPYRAZINE;
    2-METHOXY-3-ISOPROPYLPYRAZINE
    24766 IQ0
    CHEMBL1902018
    ZINC000000388464    		 4 C6 H10 O2 InChI=1S/C6H10O2/c7-6(8)5
    -3-1-2-4-5/h5H,1-4H2,(H,7
    ,8);
    JBDSSBMEKXHSJF-UHFFFAOYSA-N    		 OC(=O)C1CCCC1; C1CCC(C1)C(=O)O; O=C(O)C1
    CCCC1    		 cyclopentanecarboxylic acid
    24767 IQ1
    CHEMBL2030517
    ZINC000084653608    		 6 C21 H20 N4 InChI=1S/C21H20N4/c1-21(2
    ,3)20-24-18(14-8-10-22-11
    -9-14)19(25-20)16-12-15-6
    -4-5-7-17(15)23-13-16/h4-
    13H,1-3H3,(H,24,25);
    WOMTUQORZZQBPJ-UHFFFAOYSA-N    		 CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4cc
    ncc4; CC(C)(C)c1[nH]c(c2ccncc2)c(n1)c3cn
    c4ccccc4c3; n4c(c1cnc2c(c1)cccc2)c(c3ccn
    cc3)nc4C(C)(C)C    		 3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE
    24768 IQ2 4 C11 H10 N2 O5 S2 InChI=1S/C11H10N2O5S2/c1-
    2-3-6-13-11(14)9-5-4-8(19
    (12,15)16)7-10(9)20(13,17
    )18/h4-5,7H,6H2,1H3,(H2,1
    2,15,16);
    USAULQUNAYKUMD-UHFFFAOYSA-N    		 CC#CCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N
    ; CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)
    (=O)=O    		 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide
    24769 IQ3
    CHEMBL3685449
    ZINC000169701675    		 4 C23 H23 N7 O2 InChI=1S/C23H23N7O2/c31-2
    2(29-20-13-24-8-7-17(20)2
    3(32)30-9-1-2-10-30)21-19
    (27-16-11-25-14-26-12-16)
    6-5-18(28-21)15-3-4-15/h5
    -8,11-15,27H,1-4,9-10H2,(
    H,29,31);
    UZYSPHDFZZFZPA-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C(=O)N2CCCC2)c3nc(ccc3Nc4cn
    cnc4)C5CC5; O=C(c1ccncc1NC(=O)c1nc(ccc1N
    c1cncnc1)C1CC1)N1CCCC1; c1cc(nc(c1Nc2cnc
    nc2)C(=O)Nc3cnccc3C(=O)N4CCCC4)C5CC5    		 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide
    24770 IQ4
    ZINC000238768949    		 1 C29 H38 N6 O2 S6 InChI=1S/C29H38N6O2S6/c36
    -22-6-2-20(3-7-22)28(42)3
    4-18-12-26(40)32-16-10-24
    (38)30-14-1-15-31-25(39)1
    1-17-33-27(41)13-19-35-29
    (43)21-4-8-23(37)9-5-21/h
    2-9,36-37H,1,10-19H2,(H,3
    0,38)(H,31,39)(H,32,40)(H
    ,33,41)(H,34,42)(H,35,43);
    UBZKZUDCUOZCCY-UHFFFAOYSA-N    		 Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=
    S)CCNC(=S)CCNC(=S)c2ccc(O)cc2; c1cc(ccc1
    C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)C
    CNC(=S)c2ccc(cc2)O)O    		 ~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide;
    Closthioamide
    24771 IQ5
    ZINC000000330509    		 1 C10 H11 N3 O S InChI=1S/C10H11N3OS/c1-5-
    3-9-8(13-10(11)15-9)4-7(5
    )12-6(2)14/h3-4H,1-2H3,(H
    2,11,13)(H,12,14);
    DUWIACCTNKYBNV-UHFFFAOYSA-N    		 CC(=O)Nc1cc2nc(N)sc2cc1C; Cc1cc2c(cc1NC(
    =O)C)nc(s2)N    		 N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE
    24772 IQ6
    CHEMBL2322677
    ZINC000095583917    		 2 C18 H19 Cl N4 InChI=1S/C18H19ClN4/c19-1
    6-9-12(15-11-21-18-14(15)
    7-4-8-20-18)10-17(23-16)2
    2-13-5-2-1-3-6-13/h4,7-11
    ,13H,1-3,5-6H2,(H,20,21)(
    H,22,23);
    JKTMEYXRCJFWAI-UHFFFAOYSA-N    		 Clc4nc(NC1CCCCC1)cc(c3c2cccnc2nc3)c4; Cl
    c1cc(cc(NC2CCCCC2)n1)c3c[nH]c4ncccc34; c
    1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4    		 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
    24773 IQ7
    CHEMBL3628628
    ZINC000199570879    		 2 C23 H24 Cl N5 O3 InChI=1S/C23H24ClN5O3/c1-
    31-11-9-25-23(30)16-5-8-2
    0-18(13-16)28-22(29(20)10
    -12-32-2)19-14-26-21(27-1
    9)15-3-6-17(24)7-4-15/h3-
    8,13-14H,9-12H2,1-2H3,(H,
    25,30)(H,26,27);
    GALXSGLZQVWBNV-UHFFFAOYSA-N    		 COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH
    ]3)c4ccc(cc4)Cl; COCCNC(=O)c1ccc2n(CCOC)
    c(nc2c1)c3[nH]c(nc3)c4ccc(Cl)cc4    		 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
    24774 IQ8 4 C14 H17 N3 O2 S InChI=1S/C14H17N3O2S/c1-1
    0(18)15-6-7-16-13(19)11-2
    -4-12(5-3-11)14-17-8-9-20
    -14/h2-5H,6-9H2,1H3,(H,15
    ,18)(H,16,19);
    RTMXZJKKASUKFJ-UHFFFAOYSA-N    		 CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2 N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
    24775 IQ9 4 C17 H22 N6 O2 InChI=1S/C17H22N6O2/c1-21
    -15(13(11-18-21)17(25)22-
    8-4-9-22)16(24)19-14-7-10
    -23(20-14)12-5-2-3-6-12/h
    7,10-12H,2-6,8-9H2,1H3,(H
    ,19,20,24);
    QIYKGBSCFQPUEZ-UHFFFAOYSA-N    		 Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn(n3)C4
    CCCC4; Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn(
    n3)C4CCCC4; O=C(N1CCC1)c1cnn(C)c1C(=O)Nc
    1ccn(n1)C1CCCC1    		 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole-5-carboxamide
    24776 IQA
    CHEMBL92361
    DB01765
    ZINC000002047511    		 1 C17 H12 N2 O3 InChI=1S/C17H12N2O3/c20-1
    5(21)9-12-10-5-1-3-7-13(1
    0)19-14-8-4-2-6-11(14)17(
    22)18-16(12)19/h1-8H,9H2,
    (H,18,22)(H,20,21);
    INSBKYCYLCEBOD-UHFFFAOYSA-N    		 OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14; c1
    ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O;
    O=C(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34    		 (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID
    24777 IQB
    CHEMBL104264
    DB07995
    ZINC000002043204    		 3 C20 H20 Br N3 O2 S InChI=1S/C20H20BrN3O2S/c2
    1-18-8-6-16(7-9-18)3-2-11
    -22-13-14-24-27(25,26)20-
    5-1-4-17-15-23-12-10-19(1
    7)20/h1-10,12,15,22,24H,1
    1,13-14H2/b3-2+;
    ZKZXNDJNWUTGDK-NSCUHMNNSA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(c
    c3)Br; Brc1ccc(C=CCNCCN[S](=O)(=O)c2cccc
    3cnccc23)cc1; Brc1ccc(/C=C/CNCCN[S](=O)(
    =O)c2cccc3cnccc23)cc1; Brc1ccc(cc1)\C=C\
    CNCCNS(=O)(=O)c2cccc3c2ccnc3; c1cc2cnccc
    2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br    		 N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE;
    H-89
    24778 IQC 3 C32 H38 Cl F N8 O InChI=1S/C32H38ClFN8O/c1-
    4-25(43)42-17-32(18-42)9-
    13-41(14-10-32)30-21-15-2
    3(33)27(26-19(2)5-6-24-22
    (26)16-35-39-24)28(34)29(
    21)37-31(38-30)36-20-7-11
    -40(3)12-8-20/h5-6,15-16,
    20H,4,7-14,17-18H2,1-3H3,
    (H,35,39)(H,36,37,38);
    WKFCQNXVPLIGKI-UHFFFAOYSA-N    		 CCC(=O)N1CC2(C1)CCN(CC2)c3c4cc(c(c(c4nc(
    n3)NC5CCN(CC5)C)F)c6c(ccc7c6cn[nH]7)C)Cl
    ; CCC(=O)N1CC2(CCN(CC2)c3nc(NC4CCN(C)CC4
    )nc5c(F)c(c(Cl)cc35)c6c(C)ccc7[nH]ncc67)
    C1    		 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
    24779 IQD
    ZINC000114672868    		 3 C9 H7 N O2 InChI=1S/C9H7NO2/c11-8-3-
    1-2-7-6(8)4-5-10-9(7)12/h
    1-3,5,11H,4H2;
    CZNCPDOFCRAVBO-UHFFFAOYSA-N    		 O=C2N=CCc1c2cccc1O; c1cc2c(c(c1)O)CC=NC2
    =O; Oc1cccc2C(=O)N=CCc12    		 5-hydroxyisoquinolin-1(4H)-one
    24780 IQE 4 C15 H14 N2 O5 S2 InChI=1S/C15H14N2O5S2/c16
    -23(19,20)12-6-7-13-14(10
    -12)24(21,22)17(15(13)18)
    9-8-11-4-2-1-3-5-11/h1-7,
    10H,8-9H2,(H2,16,19,20);
    BRQQBTOXYBYHAN-UHFFFAOYSA-N    		 c1ccc(cc1)CCN2C(=O)c3ccc(cc3S2(=O)=O)S(=
    O)(=O)N; N[S](=O)(=O)c1ccc2C(=O)N(CCc3cc
    ccc3)[S](=O)(=O)c2c1    		 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide
    24781 IQF
    CHEMBL3947336    		 4 C17 H24 N8 InChI=1S/C17H24N8/c1-4-14
    -18-11-12(2)16-19-13(21-2
    5(14)16)7-8-15-20-17(22-2
    3(15)3)24-9-5-6-10-24/h11
    H,4-10H2,1-3H3;
    UMPDRXMRJVHHJO-UHFFFAOYSA-N    		 CCc1ncc(c2n1nc(n2)CCc3nc(nn3C)N4CCCC4)C;
    Cn1nc(nc1CCc1nc2c(C)cnc(CC)n2n1)N1CCCC1
    ; CCc1ncc(C)c2nc(CCc3nc(nn3C)N4CCCC4)nn1
    2    		 (4R)-5-ethyl-8-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine
    24782 IQG
    ZINC000098209027    		 0 C21 H22 N9 O7 P InChI=1S/C21H22N9O7P/c1-2
    9-11-5-10(15-9(3-2-4-23-1
    5)16(11)26-20(29)22)25-21
    -27-18-17(19(32)28-21)24-
    8-30(18)14-6-12(31)13(37-
    14)7-36-38(33,34)35/h2-5,
    8,12-14,31H,6-7H2,1H3,(H2
    ,22,26)(H2,33,34,35)(H2,2
    5,27,28,32)/t12-,13+,14+/
    m0/s1;
    UREWNNCFPTXEDO-BFHYXJOUSA-N    		 Cn1c(N)nc2c1cc(NC3=Nc4n(cnc4C(=O)N3)[CH]
    5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6ncccc26
    ; Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5
    C6CC(C(O6)COP(=O)(O)O)O)C(=O)N4; Cn1c2cc
    (c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C
    @@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4; Cn1
    c(N)nc2c1cc(NC3=Nc4n(cnc4C(=O)N3)[C@H]5C
    [C@H](O)[C@@H](CO[P](O)(O)=O)O5)c6ncccc2
    6; O=P(O)(O)OCC6OC(n5cnc4c5N=C(Nc3c1nccc
    c1c2nc(N)n(c2c3)C)NC4=O)CC6O    		 N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)
    24783 IQH 1 C12 H10 Cl N O2 S InChI=1S/C12H10ClNO2S/c13
    -9-3-1-2-8(6-9)4-5-11-14-
    10(7-17-11)12(15)16/h1-3,
    6-7H,4-5H2,(H,15,16);
    FCEBUXIZVIKBLQ-UHFFFAOYSA-N    		 O=C(O)c1csc(CCc2cc(Cl)ccc2)n1; OC(=O)c1c
    sc(CCc2cccc(Cl)c2)n1; c1cc(cc(c1)Cl)CCc2
    nc(cs2)C(=O)O    		 2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
    24784 IQJ 4 C18 H18 N6 O3 S InChI=1S/C18H18N6O3S/c1-1
    0(25)20-18-22-13-8-11(4-5
    -14(13)28-18)21-16(26)15-
    12(9-19-23(15)2)17(27)24-
    6-3-7-24/h4-5,8-9H,3,6-7H
    2,1-2H3,(H,21,26)(H,20,22
    ,25);
    UCYBJNHBSXSKDB-UHFFFAOYSA-N    		 Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccc4sc(NC(C
    )=O)nc4c3; CC(=O)Nc1nc2cc(ccc2s1)NC(=O)c
    3c(cnn3C)C(=O)N4CCC4; O=C(N1CCC1)c1cnn(C
    )c1C(=O)Nc1cc2nc(NC(C)=O)sc2cc1    		 N-(2-acetamido-1,3-benzothiazol-5-yl)-4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide
    24785 IQK
    CHEMBL2402207
    ZINC000000781579    		 1 C24 H22 N2 O6 S2 InChI=1S/C24H22N2O6S2/c1-
    31-17-7-11-19(12-8-17)33(
    27,28)25-23-15-16-24(22-6
    -4-3-5-21(22)23)26-34(29,
    30)20-13-9-18(32-2)10-14-
    20/h3-16,25-26H,1-2H3;
    XLLVCULLOGKYOO-UHFFFAOYSA-N    		 COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS
    (=O)(=O)c4ccc(cc4)OC; O=S(=O)(Nc3c1ccccc
    1c(NS(=O)(=O)c2ccc(OC)cc2)cc3)c4ccc(OC)c
    c4; COc1ccc(cc1)[S](=O)(=O)Nc2ccc(N[S](=
    O)(=O)c3ccc(OC)cc3)c4ccccc24    		 N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)
    24786 IQL
    CHEMBL5170116    		 2 C6 H8 N4 InChI=1S/C6H8N4/c1-8-5(7)
    6-9-3-2-4-10-6/h2-4H,1H3,
    (H2,7,8);
    GXUPAQKJNPTPOU-UHFFFAOYSA-N    		 CNC(=N)c1ncccn1; [H]/N=C(\c1ncccn1)/NC N-methylpyrimidine-2-carboximidamide;
    N'-methylpyrimidine-2-carboximidamide
    24787 IQM 3 C17 H15 F N2 O2 InChI=1S/C17H15FN2O2/c1-2
    0-9-10-2-4-11(5-3-10)15-7
    -12-6-13(18)8-14(17(19)21
    )16(12)22-15/h2-8,20H,9H2
    ,1H3,(H2,19,21);
    ROBJKLPZIPNAMV-UHFFFAOYSA-N    		 CNCc1ccc(cc1)c2cc3cc(cc(c3o2)C(=O)N)F; N
    C(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1; CN
    Cc1ccc(cc1)c2oc3c(cc(F)cc3C(N)=O)c2    		 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide
    24788 IQN 1 C33 H39 Cl F N7 O2 InChI=1S/C33H39ClFN7O2/c1
    -4-26(43)42-18-33(19-42)1
    0-14-41(15-11-33)31-22-16
    -24(34)28(27-20(3)6-7-25-
    23(27)17-36-39-25)29(35)3
    0(22)37-32(38-31)44-21-8-
    12-40(5-2)13-9-21/h6-7,16
    -17,21H,4-5,8-15,18-19H2,
    1-3H3,(H,36,39);
    DIWKGSXZDCIXCD-UHFFFAOYSA-N    		 CCN1CCC(CC1)Oc2nc(N3CCC4(CC3)CN(C4)C(=O)
    CC)c5cc(Cl)c(c(F)c5n2)c6c(C)ccc7[nH]ncc6
    7; CCC(=O)N1CC2(C1)CCN(CC2)c3c4cc(c(c(c4
    nc(n3)OC5CCN(CC5)CC)F)c6c(ccc7c6cn[nH]7)
    C)Cl    		 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
    24789 IQO
    CHEMBL258844
    ZINC000004846183    		 1 C34 H29 N7 O InChI=1S/C34H29N7O/c42-34
    -39-26-8-4-5-9-31(26)41(3
    4)25-14-16-40(17-15-25)20
    -22-10-12-24(13-11-22)33-
    32(23-6-2-1-3-7-23)37-29-
    18-27-28(36-21-35-27)19-3
    0(29)38-33/h1-13,18-19,21
    ,25H,14-17,20H2,(H,35,36)
    (H,39,42);
    BIWGYFZAEWGBAL-UHFFFAOYSA-N    		 O=C2Nc1ccccc1N2C8CCN(Cc7ccc(c4nc6c(nc4c3
    ccccc3)cc5ncnc5c6)cc7)CC8; c1ccc(cc1)c2c
    (nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(
    CC6)N7c8ccccc8NC7=O; O=C1Nc2ccccc2N1C3CC
    N(CC3)Cc4ccc(cc4)c5nc6cc7[nH]cnc7cc6nc5c
    8ccccc8    		 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one;
    1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
    24790 IQP
    CHEMBL1233654
    ZINC000034800307    		 2 C14 H17 N3 O2 S InChI=1S/C14H17N3O2S/c1-1
    1-9-16-7-8-17(11)20(18,19
    )14-4-2-3-12-10-15-6-5-13
    (12)14/h2-6,10-11,16H,7-9
    H2,1H3/t11-/m0/s1;
    BDVFVCGFMNCYPV-NSHDSACASA-N    		 C[C@H]1CNCCN1[S](=O)(=O)c2cccc3cnccc23;
    CC1CNCCN1S(=O)(=O)c2cccc3c2ccnc3; C[CH]1
    CNCCN1[S](=O)(=O)c2cccc3cnccc23; O=S(=O)
    (c2c1ccncc1ccc2)N3C(C)CNCC3; C[C@H]1CNCC
    [N@]1S(=O)(=O)c2cccc3c2ccnc3    		 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE;
    H-7
    24791 IQQ
    CHEMBL4173880
    ZINC000002528944    		 4 C13 H10 O3 InChI=1S/C13H10O3/c14-12-
    6-2-4-10(8-12)9-3-1-5-11(
    7-9)13(15)16/h1-8,14H,(H,
    15,16);
    CTFCUBMVYRSJLK-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)c2cccc(O)c2; c1cc(cc(c1)
    C(=O)O)c2cccc(c2)O    		 3-(3-hydroxyphenyl)benzoic acid
    24792 IQR
    CHEMBL5181163    		 1 C17 H16 N4 O InChI=1S/C17H16N4O/c1-17(
    2,22)7-5-11-3-4-14-12(9-1
    1)13(10-20-14)15-6-8-19-1
    6(18)21-15/h3-4,6,8-10,20
    ,22H,1-2H3,(H2,18,19,21);
    YYAZUVAPGBAUDQ-UHFFFAOYSA-N    		 CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1
    ; CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3ccnc(n3
    )N)O    		 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol
    24793 IQS
    CHEMBL148333
    DB07997
    ZINC000002043206    		 1 C12 H15 N3 O2 S InChI=1S/C12H15N3O2S/c1-1
    3-7-8-15-18(16,17)12-4-2-
    3-10-9-14-6-5-11(10)12/h2
    -6,9,13,15H,7-8H2,1H3;
    PJWUXKNZVMEPPH-UHFFFAOYSA-N    		 CNCCN[S](=O)(=O)c1cccc2cnccc12; O=S(=O)(
    c1cccc2c1ccnc2)NCCNC; CNCCNS(=O)(=O)c1cc
    cc2c1ccnc2    		 N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE;
    H-8
    24794 IQT 1 C25 H39 N O5 InChI=1S/C25H39NO5/c1-4-6
    -7-8-9-12-15-21-22(30-21)
    16-13-10-11-14-19(27)17-2
    3(28)26-20-18-25(3,5-2)31
    -24(20)29/h10-11,13-14,18
    -19,21-22,27H,4-9,12,15-1
    7H2,1-3H3,(H,26,28)/b13-1
    0+,14-11?/t19-,21+,22-,25
    -/m0/s1;
    OXOAWIMFJLEQMT-JFWAKSGWSA-N    		 CCCCCCCC[C@H]1O[C@H]1C\C=C\C=C/[C@H](O)C
    C(=O)NC2=C[C@](C)(CC)OC2=O; CCCCCCCC[C@@
    H]1[C@@H](O1)CC=CC=C[C@@H](CC(=O)NC2=C[C
    @](OC2=O)(C)CC)O; CCCCCCCCC1C(O1)CC=CC=C
    C(CC(=O)NC2=CC(OC2=O)(C)CC)O; CCCCCCCC[C
    H]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)
    (CC)OC2=O    		 Korormicin
    24795 IQU
    CHEMBL344314
    ZINC000002149990    		 6 C11 H13 N3 O2 S InChI=1S/C11H13N3O2S/c12-
    5-7-14-17(15,16)11-3-1-2-
    9-8-13-6-4-10(9)11/h1-4,6
    ,8,14H,5,7,12H2;
    DCVZSHVZGVWQKV-UHFFFAOYSA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)NCCN; NCCN[S](=
    O)(=O)c1cccc2cnccc12; O=S(=O)(c1cccc2c1c
    cnc2)NCCN    		 N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE
    24796 IQV 4 C15 H15 N9 InChI=1S/C15H15N9/c1-9-6-
    16-10(2)15-19-12(21-24(9)
    15)4-5-13-20-14(22-23(13)
    3)11-7-17-18-8-11/h4-8H,1
    -3H3,(H,17,18);
    GXJIFDOCCFNCBK-UHFFFAOYSA-N    		 Cc1cnc(c2n1nc(n2)/C=C/c3nc(nn3C)c4c[nH]n
    c4)C; Cn1nc(nc1C=Cc2nn3c(C)cnc(C)c3n2)c4
    c[nH]nc4; Cc1ncc(C)n2nc(nc12)/C=C/c1nc(n
    n1C)c1c[NH]nc1; Cc1cnc(c2n1nc(n2)C=Cc3nc
    (nn3C)c4c[nH]nc4)C; Cn1nc(nc1/C=C/c2nn3c
    (C)cnc(C)c3n2)c4c[nH]nc4    		 (4S)-5,8-dimethyl-2-{(E)-2-[1-methyl-3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyrazine
    24797 IQW
    CHEMBL3318801
    ZINC000222800303    		 4 C13 H13 N5 InChI=1S/C13H13N5/c1-7-2-
    4-8(5-3-7)9-6-16-12-10(9)
    11(14)17-13(15)18-12/h2-6
    H,1H3,(H5,14,15,16,17,18);
    OKAZKDKAGZDUKA-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2c[nH]c3nc(N)nc(N)c23; Cc1cc
    c(cc1)c2c[nH]c3c2c(nc(n3)N)N; n1c(c2c(nc
    1N)ncc2c3ccc(cc3)C)N    		 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    24798 IQX
    CHEMBL1233655
    ZINC000035998145    		 2 C16 H16 F N5 O3 S3 InChI=1S/C16H16FN5O3S3/c1
    -7-13(27-16(20-7)21-9(3)2
    3)11-5-12(14(17)18-6-11)2
    2-28(24,25)15-8(2)19-10(4
    )26-15/h5-6,22H,1-4H3,(H,
    20,21,23);
    IGQXOMRFMBZFBD-UHFFFAOYSA-N    		 CC(=O)Nc1sc(c(C)n1)c2cnc(F)c(N[S](=O)(=O
    )c3sc(C)nc3C)c2; Cc1c(sc(n1)NC(=O)C)c2cc
    (c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C; O=S(=O
    )(c1sc(nc1C)C)Nc3cc(c2sc(nc2C)NC(=O)C)cn
    c3F    		 N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide;
    N-[5-[5-[(2,4-dimethylthiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridyl]-4-methyl-thiazol-2-yl]acetamide
    24799 IQY 1 C22 H24 N4 O InChI=1S/C22H24N4O/c1-3-2
    2(27,4-2)11-10-14-8-9-17-
    16(12-14)19-18(25-17)7-5-
    6-15-13-24-21(23)26-20(15
    )19/h8-9,12-13,25,27H,3-7
    H2,1-2H3,(H2,23,24,26);
    HLOKNMXIRZIMSC-UHFFFAOYSA-N    		 CCC(O)(CC)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c
    3c2c1; CCC(CC)(C#Cc1ccc2c(c1)c-3c([nH]2)
    CCCc4c3nc(nc4)N)O    		 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol
    24800 IQZ
    DB02191    		 1 C15 H16 N2 O InChI=1S/C15H16N2O/c18-13
    -9-17-8-4-3-7-12(17)15-14
    (13)10-5-1-2-6-11(10)16-1
    5/h1-2,5-6,12,16H,3-4,7-9
    H2/t12-/m0/s1;
    PGKUSHWBQJPFOP-LBPRGKRZSA-N    		 c1ccc2c(c1)c3c([nH]2)C4CCCCN4CC3=O; c1cc
    c2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O;
    O=C1CN2CCCC[CH]2c3[nH]c4ccccc4c13; O=C1C
    N2CCCC[C@H]2c3[nH]c4ccccc4c13    		 (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one
    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).