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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    33601 PUA
    CHEMBL401150
    DB03186
    ZINC000095613423    		 2 C19 H27 N7 O20 P4 InChI=1S/C19H27N7O20P4/c2
    0-16-13-17(22-6-21-16)26(
    7-23-13)18-14(28)15(45-48
    (33,34)35)10(43-18)5-41-4
    9(36,37)46-50(38,39)44-8-
    3-12(25-2-1-11(27)24-19(2
    5)29)42-9(8)4-40-47(30,31
    )32/h1-2,6-10,12,14-15,18
    ,28H,3-5H2,(H,36,37)(H,38
    ,39)(H2,20,21,22)(H,24,27
    ,29)(H2,30,31,32)(H2,33,3
    4,35)/t8-,9+,10+,12+,14+,
    15+,18+/m0/s1;
    JIAJERGOUFOENU-LNAOLWRRSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C
    [C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5
    =O)OP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[CH]3
    O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4C[CH]
    (O[CH]4CO[P](O)(O)=O)N5C=CC(=O)NC5=O)[CH
    ](O[P](O)(O)=O)[CH]3O; c1nc(c2c(n1)n(cn2
    )C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4CC(OC4
    COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O
    )N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@
    ](O)(=O)O[P@@](O)(=O)O[C@H]4C[C@@H](O[C@
    @H]4CO[P](O)(O)=O)N5C=CC(=O)NC5=O)[C@@H]
    (O[P](O)(O)=O)[C@H]3O; O=C1C=CN(C(=O)N1)
    C5OC(COP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)OCC
    4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C5    		 ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-URIDINE-5'-PHOSPHATE]-3'-PHOSPHATE];
    U-PI-A-PI
    33602 PUB
    ZINC000040164449    		 941 C33 H42 N4 O6 InChI=1S/C33H42N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h15,26-27,35H,7-14H2,1
    -6H3,(H,36,43)(H,37,42)(H
    ,38,39)(H,40,41)/b28-15-/
    t26-,27+/m1/s1;
    KDCCOOGTVSRCHX-YYVBKQGDSA-N    		 CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[C
    H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC
    (O)=O)c2C; CCC1=C(C(=O)NC1Cc2c(c(c([nH]2
    )C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)C
    CC(=O)O)CCC(=O)O)C)C; CCC1=C(C(=O)N[C@H]
    1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H
    ]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)
    C)C; CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3
    /N=C(C[C@H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=
    O)C)c(CCC(O)=O)c2C    		 PHYCOUROBILIN
    33603 PUC
    CHEMBL521784
    ZINC000008716754    		 8 C21 H34 O4 InChI=1S/C21H34O4/c1-2-3-
    6-9-17(22)12-13-19-18(16-
    14-20(19)25-15-16)10-7-4-
    5-8-11-21(23)24/h4,7,12-1
    3,16-20,22H,2-3,5-6,8-11,
    14-15H2,1H3,(H,23,24)/b7-
    4-,13-12+/t16-,17+,18+,19
    -,20-/m1/s1;
    LQANGKSBLPMBTJ-BRSNVKEHSA-N    		 CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O;
    CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@
    @H]1C/C=C\CCCC(=O)O)CO2)O; CCCCC[CH](O)C
    =C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O
    ; CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](C
    O2)[C@@H]1C\C=C/CCCC(O)=O    		 (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid;
    15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid
    33604 PUD 4 C6 H12 O5 InChI=1S/C6H12O5/c1-3(8)5
    (10)6(11)4(9)2-7/h3,5-8,1
    0-11H,2H2,1H3/t3-,5-,6+/m
    0/s1;
    QZNPNKJXABGCRC-ZXEDONINSA-N    		 C[CH](O)[CH](O)[CH](O)C(=O)CO; C[C@H](O)
    [C@H](O)[C@H](O)C(=O)CO; CC(C(C(C(=O)CO)
    O)O)O; C(O)(C(C)O)C(C(CO)=O)O; C[C@@H]([
    C@@H]([C@@H](C(=O)CO)O)O)O    		 6-deoxy-L-psicose
    33605 PUE
    ZINC000020357882    		 1 C11 H13 N O2 InChI=1S/C11H13NO2/c13-11
    (14)9-6-7-12(8-9)10-4-2-1
    -3-5-10/h1-5,9H,6-8H2,(H,
    13,14)/t9-/m1/s1;
    IOFLKIRLUFZCHR-SECBINFHSA-N    		 c1ccc(cc1)N2CCC(C2)C(=O)O; OC(=O)[CH]1CC
    N(C1)c2ccccc2; OC(=O)[C@@H]1CCN(C1)c2ccc
    cc2; c1ccc(cc1)N2CC[C@H](C2)C(=O)O    		 (3~{R})-1-phenylpyrrolidine-3-carboxylic acid
    33606 PUF 3 C6 H12 O5 InChI=1S/C6H12O5/c1-3-4(8
    )5(9)6(10,2-7)11-3/h3-5,7
    -10H,2H2,1H3/t3-,4-,5-,6+
    /m0/s1;
    CJJCPDZKQKUXSS-OMMKOOBNSA-N    		 C[CH]1O[C](O)(CO)[CH](O)[CH]1O; C(O)C1(C
    (C(O)C(O1)C)O)O; C[C@H]1[C@@H]([C@@H]([C
    @](O1)(CO)O)O)O; CC1C(C(C(O1)(CO)O)O)O;
    C[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O    		 6-deoxy-alpha-L-psicofuranose;
    6-deoxy-alpha-L-psicose;
    6-deoxy-L-psicose;
    6-deoxy-psicose
    33607 PUG
    CHEMBL1235497
    ZINC000058650741    		 17 C10 H14 N4 O7 InChI=1S/C10H14N4O7/c15-2
    -4(17)6(18)3(16)1-14-7-5(
    11-10(14)21)8(19)13-9(20)
    12-7/h3-4,6,15-18H,1-2H2,
    (H,11,21)(H2,12,13,19,20)
    /t3-,4-,6+/m1/s1;
    XIBHHWBJHOTHGZ-KODRXGBYSA-N    		 C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC
    1=O; O=C1C2=C(NC(=O)N1)N(C(=O)N2)CC(O)C(
    O)C(O)CO; OC[CH](O)[CH](O)[CH](O)CN1C(=O
    )NC2=C1NC(=O)NC2=O; C([C@H]([C@@H]([C@@H
    ](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O; O
    C[C@@H](O)[C@@H](O)[C@H](O)CN1C(=O)NC2=C
    1NC(=O)NC2=O    		 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)
    33608 PUI
    CHEMBL5169665
    ZINC000225393408    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-6-5-8(
    10)12-7-3-2-4-11-9(6)7/h2
    -5H,1H3,(H2,10,12);
    SXHWPJIVPMKZBW-UHFFFAOYSA-N    		 Cc1cc(nc2c1nccc2)N; Cc1cc(N)nc2cccnc12 4-methyl-1,5-naphthyridin-2-amine
    33609 PUJ 2 C39 H48 F2 N3 O5 Si InChI=1S/C39H47F2N3O5Si/c
    1-4-5-6-7-15-48-17-18-49-
    16-14-42-38(45)26-8-11-31
    (39(46)47)34(19-26)37-32-
    12-9-29(43-22-27(40)23-43
    )20-35(32)50(2,3)36-21-30
    (10-13-33(36)37)44-24-28(
    41)25-44/h8-13,19-21,27-2
    8H,4-7,14-18,22-25H2,1-3H
    3,(H-,42,45,46,47)/p+1;
    WMFJHJNMBLRDFB-UHFFFAOYSA-O    		 c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCC
    OCCOCCCCCC)=O)C(O)=O)=C6C=C\C(=[N+]4/CC(
    F)C4)C=C6[Si]5(C)C; CCCCCCOCCOCCNC(=O)c1
    ccc(C(O)=O)c(c1)C2=C3C=C[C](C=C3[Si](C)(
    C)c4cc(ccc24)N5CC(F)C5)=[N+]6C[CH](F)C6;
    CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(
    =[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C
    6)F)(C)C)C(=O)O    		 (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium;
    JF635
    33610 PUK 0 C18 H22 N2 O2 InChI=1S/C18H22N2O2/c19-1
    6(11-14-7-3-1-4-8-14)13-2
    0-17(18(21)22)12-15-9-5-2
    -6-10-15/h1-10,16-17,20H,
    11-13,19H2,(H,21,22)/t16-
    ,17-/m0/s1;
    DOVYKTPJUZCUGU-IRXDYDNUSA-N    		 c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N; c1c
    cc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O
    )N; N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccc
    cc2; O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2;
    N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc2cccc
    c2    		 N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
    33611 PUL 2 C47 H66 O13 InChI=1S/C47H66O13/c1-29-
    20-19-21-31(3)42(53)38(50
    )24-17-11-10-12-18-25-40(
    60-41(52)27-26-30(2)39(51
    )28-29)33(5)43(54)32(4)36
    (48)22-15-13-14-16-23-37(
    49)34(6)58-47-46(57-9)44(
    55)45(56-8)35(7)59-47/h10
    -24,26,28,32-35,37-40,43-
    47,49-51,54-55H,25,27H2,1
    -9H3/b11-10+,14-13+,18-12
    +,20-19+,22-15+,23-16+,24
    -17+,29-28+,30-26+,31-21+
    /t32-,33-,34+,35-,37+,38+
    ,39-,40+,43-,44+,45+,46-,
    47-/m1/s1;
    FXSFWUNCIOIMAC-VXILMCRLSA-N    		 O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC
    =CC1O)C(C)C(O)C(C(=O)\C=C\C=C\C=C\C(O)C(
    OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C; CC1C(C(
    C(C(O1)OC(C)C(C=CC=CC=CC(=O)C(C)C(C(C)C2
    CC=CC=CC=CC(C(=O)C(=CC=CC(=CC(C(=CCC(=O)
    O2)C)O)C)C)O)O)O)OC)O)OC; CO[CH]1[CH](C)
    O[CH](O[CH](C)[CH](O)C=CC=CC=CC(=O)[CH](
    C)[CH](O)[CH](C)[CH]2CC=CC=CC=C[CH](O)C(
    =O)C(=CC=CC(=C[CH](O)C(=CCC(=O)O2)C)C)C)
    [CH](OC)[CH]1O; CO[C@H]1[C@@H](C)O[C@@H]
    (O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C(=O)[C
    @@H](C)[C@@H](O)[C@H](C)[C@@H]2C/C=C/C=C
    /C=C/[C@H](O)C(=O)\C(=C\C=C\C(=C\[C@@H](
    O)\C(=C\CC(=O)O2)C)C)C)[C@H](OC)[C@H]1O;
    C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O
    [C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](
    C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@
    @H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O
    )O2)/C)O)\C)C)O)O)O)OC)O)OC    		 (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE;
    PULVOMYCIN
    33612 PUM
    ZINC000150304238    		 1 C17 H26 N8 O9 InChI=1S/C17H26N8O9/c18-9
    (26)2-1-7(25(33)10(27)5-2
    2-16(19)20)15(31)21-4-8-1
    1(28)12(29)13(34-8)6-3-23
    -17(32)24-14(6)30/h3,7-8,
    11-13,28-29,33H,1-2,4-5H2
    ,(H2,18,26)(H,21,31)(H4,1
    9,20,22)(H2,23,24,30,32)/
    t7-,8+,11+,12+,13-/m0/s1;
    XDEYHXABZOKKDZ-YFKLLHAASA-N    		 C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CNC(=O)C(C
    CC(=O)N)N(C(=O)CNC(=N)N)O)O)O; [H]/N=C(/
    N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H
    ]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)
    O)O)O; NC(=N)NCC(=O)N(O)[C@@H](CCC(N)=O)
    C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C2=
    CNC(=O)NC2=O; O=C1C(=CNC(N1)=O)C2OC(C(C2
    O)O)CNC(=O)C(N(O)C(=O)CN/C(N)=N)CCC(N)=O
    ; NC(=N)NCC(=O)N(O)[CH](CCC(N)=O)C(=O)NC
    [CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O    		 (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol;
    pseudouridimycin
    33613 PUN 1 C16 H34 InChI=1S/C16H34/c1-13(2)1
    0-15(6,7)12-16(8,9)11-14(
    3,4)5/h13H,10-12H2,1-9H3;
    RDUBCTHNBWFPTP-UHFFFAOYSA-N    		 CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C; CC(CC(CC
    (CC(C)C)(C)C)(C)C)(C)C    		 2,2,4,4,6,6,8-heptamethylnonane
    33614 PUO 1 C24 H24 Cl F N2 O3 InChI=1S/C24H24ClFN2O3/c1
    -3-6-15-11-16-12-27-9-10-
    28(20(30)4-2)13-17(27)14-
    31-24(16)23(26)21(15)22-1
    8(25)7-5-8-19(22)29/h5,7-
    8,11,17,29H,4,9-10,12-14H
    2,1-2H3/t17-/m1/s1;
    JBRIYRDJXQTWRH-QGZVFWFLSA-N    		 CCC(=O)N1CCN2Cc3cc(c(c(c3OCC2C1)F)c4c(cc
    cc4Cl)O)C#CC; CCC(=O)N1CCN2Cc3cc(c(c(c3O
    C[C@H]2C1)F)c4c(cccc4Cl)O)C#CC; CCC(=O)N
    1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)
    cccc4Cl; CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c
    3OC[C@H]2C1)c4c(O)cccc4Cl    		 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
    33615 PUP
    ZINC000098209323    		 1 C14 H22 N2 O15 P2 InChI=1S/C14H22N2O15P2/c1
    7-3-7-11(6(18)4-27-7)31-3
    3(25,26)28-5-8-12(30-32(2
    2,23)24)10(20)13(29-8)16-
    2-1-9(19)15-14(16)21/h1-2
    ,6-8,10-13,17-18,20H,3-5H
    2,(H,25,26)(H,15,19,21)(H
    2,22,23,24)/t6-,7+,8+,10+
    ,11-,12+,13+/m0/s1;
    CTEYAHSJKMGMOL-HHUJUQMJSA-N    		 OC[C@H]1OC[C@H](O)[C@@H]1O[P](O)(=O)OC[C
    @H]2O[C@H]([C@H](O)[C@@H]2O[P](O)(O)=O)N
    3C=CC(=O)NC3=O; C1C(C(C(O1)CO)OP(=O)(O)O
    CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O
    )O; C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O
    )OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=
    O)NC3=O)O)OP(=O)(O)O)O; OC[CH]1OC[CH](O)
    [CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O[P](O)(O)=O)N3C=CC(=O)NC3=O; O=P(OC1C(
    O)COC1CO)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O
    )C3OP(=O)(O)O
    33616 PUQ 1 C21 H22 O10 InChI=1S/C21H22O10/c22-8-
    16-17(26)18(27)19(28)21(3
    1-16)30-15-7-12-13(25)5-1
    1(24)6-14(12)29-20(15)9-1
    -3-10(23)4-2-9/h1-7,16-28
    H,8H2/t16-,17-,18+,19-,20
    ?,21+/m0/s1;
    SNGNSJWVINEVCL-FGWZRKRKSA-N    		 OC[CH]1O[CH](OC2=Cc3c(O)cc(O)cc3O[CH]2c4
    ccc(O)cc4)[CH](O)[CH](O)[CH]1O; c1cc(ccc
    1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@
    @H]([C@H]([C@@H](O4)CO)O)O)O)O; c1cc(ccc
    1C2C(=Cc3c(cc(cc3O2)O)O)OC4C(C(C(C(O4)CO
    )O)O)O)O; OC[C@@H]1O[C@@H](OC2=Cc3c(O)cc
    (O)cc3O[C@H]2c4ccc(O)cc4)[C@@H](O)[C@H](
    O)[C@H]1O    		 pelargonidin 3-O-beta-D-glucoside;
    (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol
    33617 PUR 2 C10 H13 N4 O4 InChI=1S/C10H12N4O4/c15-2
    -6-7(16)8(17)10(18-6)14-4
    -13-5-1-11-3-12-9(5)14/h1
    ,3-4,6-8,10,15-17H,2H2/p+
    1/t6-,7-,8-,10-/m1/s1;
    MRWXACSTFXYYMV-FDDDBJFASA-O    		 c1c2c(ncn1)n(c[nH+]2)C3C(C(C(O3)CO)O)O;
    OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]
    c3cncnc23; c1c2c(ncn1)n(c[nH+]2)[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO)O)O; OC[CH]1O[CH
    ]([CH](O)[CH]1O)n2c[nH+]c3cncnc23; OCC3O
    C(n2c[nH+]c1cncnc12)C(O)C3O    		 PURINE RIBOSIDE
    33618 PUS
    ZINC000263620707    		 2 C12 H17 N4 O9 P InChI=1S/C12H17N4O9P/c1-6
    -10(17)8(7(2-14-6)4-25-26
    (21,22)23)3-15-9(11(18)19
    )5-24-16-12(13)20/h2-3,9,
    17H,4-5H2,1H3,(H,18,19)(H
    3,13,16,20)(H2,21,22,23)/
    b15-3+/t9-/m0/s1;
    LKTMSPZJJUSLRR-FUOCOAHQSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CONC(=O)N)
    C(=O)O)O; N(/C(CONC(N)=O)C(O)=O)=C\c1c(c
    (ncc1COP(O)(=O)O)C)O; Cc1ncc(CO[P](O)(O)
    =O)c(C=N[CH](CONC(N)=O)C(O)=O)c1O; Cc1c(
    c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)
    N)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C=N[C
    @@H](CONC(N)=O)C(O)=O)c1O    		 (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
    33619 PUT
    CHEMBL46257
    DB01917
    ZINC000005828633    		 63 C4 H12 N2 InChI=1S/C4H12N2/c5-3-1-2
    -4-6/h1-6H2;
    KIDHWZJUCRJVML-UHFFFAOYSA-N    		 C(CCN)CN; NCCCCN 1,4-DIAMINOBUTANE;
    PUTRESCINE
    33620 PUU 3 C21 H18 Cl N3 O2 InChI=1S/C21H18ClN3O2/c1-
    13(26)25-9-8-17(18-10-15(
    22)6-7-20(18)25)21(27)24-
    19-12-23-11-14-4-2-3-5-16
    (14)19/h2-7,10-12,17H,8-9
    H2,1H3,(H,24,27)/t17-/m1/
    s1;
    OYAZCEPXBNBUAT-QGZVFWFLSA-N    		 CC(=O)N1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cn
    cc4c3cccc4; CC(=O)N1CC[C@@H](C(=O)Nc2cnc
    c3ccccc23)c4cc(Cl)ccc14; CC(=O)N1CCC(c2c
    1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4; CC(=O)N
    1CC[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc
    14; CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cn
    cc2ccccc21    		 (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
    33621 PUV 1 C23 H22 F N3 O5 S InChI=1S/C23H22FN3O5S/c1-
    23(12-20(28)27-22-25-7-8-
    33-22)16-11-19(18(31-2)9-
    13(16)5-6-26-23)32-14-3-4
    -15(21(29)30)17(24)10-14/
    h3-4,7-11,26H,5-6,12H2,1-
    2H3,(H,29,30)(H,25,27,28)
    /t23-/m1/s1;
    PZYUALDJGJBZEM-HSZRJFAPSA-N    		 c1cc(cc(c1C(O)=O)F)Oc2cc3c(cc2OC)CCNC3(C
    )CC(Nc4nccs4)=O; COc1cc2CCN[C](C)(CC(=O)
    Nc3sccn3)c2cc1Oc4ccc(C(O)=O)c(F)c4; COc1
    cc2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc
    (C(O)=O)c(F)c4; CC1(c2cc(c(cc2CCN1)OC)Oc
    3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4; C[C@]
    1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O
    )CC(=O)Nc4nccs4    		 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    33622 PUW 2 C6 H15 N2 O4 P InChI=1S/C6H15N2O4P/c7-3-
    1-2-4-8-6(9)5-13(10,11)12
    /h1-5,7H2,(H,8,9)(H2,10,1
    1,12);
    VJPDOEGJBRLVCO-UHFFFAOYSA-N    		 O=C(NCCCCN)CP(=O)(O)O; C(CCNC(=O)CP(=O)(
    O)O)CN; NCCCCNC(=O)C[P](O)(O)=O    		 N-(PHOSPHONOACETYL)-PUTRESCINE
    33623 PUX
    CHEMBL109822
    DB04254
    ZINC000003833895    		 1 C17 H18 F N5 O2 InChI=1S/C17H18FN5O2/c1-2
    -3-6-23-13(20-14-15(19)21
    -17(18)22-16(14)23)8-10-4
    -5-11-12(7-10)25-9-24-11/
    h4-5,7H,2-3,6,8-9H2,1H3,(
    H2,19,21,22);
    ARWHTQLGMWHTAZ-UHFFFAOYSA-N    		 CCCCn1c(Cc2ccc3OCOc3c2)nc4c(N)nc(F)nc14;
    Fc1nc2n(c(nc2c(n1)N)Cc3ccc4OCOc4c3)CCCC
    ; CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO
    4    		 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
    33624 PUY
    CHEMBL469912
    DB08437
    ZINC000053147179    		 7 C22 H29 N7 O5 InChI=1S/C22H29N7O5/c1-28
    (2)19-17-20(25-10-24-19)2
    9(11-26-17)22-18(31)16(15
    (9-30)34-22)27-21(32)14(2
    3)8-12-4-6-13(33-3)7-5-12
    /h4-7,10-11,14-16,18,22,3
    0-31H,8-9,23H2,1-3H3,(H,2
    7,32)/t14-,15+,16+,18+,22
    +/m0/s1;
    RXWNCPJZOCPEPQ-NVWDDTSBSA-N    		 O=C(NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)C(
    N)Cc4ccc(OC)cc4; COc1ccc(C[C@H](N)C(=O)N
    [C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c
    (ncnc34)N(C)C)cc1; CN(C)c1c2c(ncn1)n(cn2
    )C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc4)OC)N)O
    ; CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)O
    C)N)O; COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O
    )[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1    		 PUROMYCIN
    33625 PUZ
    CHEMBL326082
    DB03137
    ZINC000003833894    		 1 C19 H20 F N5 O2 InChI=1S/C19H20FN5O2/c1-4
    -5-6-9-25-15(22-16-17(21)
    23-19(20)24-18(16)25)11-1
    2-10-13(26-2)7-8-14(12)27
    -3/h1,7-8,10H,5-6,9,11H2,
    2-3H3,(H2,21,23,24);
    RMOYVWKKOKERSW-UHFFFAOYSA-N    		 COc1ccc(OC)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)
    c1; Fc1nc(c2nc(n(c2n1)CCCC#C)Cc3cc(OC)cc
    c3OC)N; COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCC
    C#C)F)N)OC    		 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE
    33626 PV0
    CHEMBL4082531
    ZINC000095920683    		 1 C14 H13 N O6 S InChI=1S/C14H13NO6S/c16-9
    -1-2-14(13(19)4-9)22(20,2
    1)15-6-8-3-10(17)5-12(18)
    11(8)7-15/h1-5,16-19H,6-7
    H2;
    SVUZJWAAXPEMKJ-UHFFFAOYSA-N    		 c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O
    )O; Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3cc(O)c
    c(O)c3C2; O=S(=O)(c1ccc(O)cc1O)N3Cc2cc(O
    )cc(O)c2C3    		 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol
    33627 PV1
    CHEMBL4168598
    ZINC000034777595    		 1 C15 H12 Br N O3 InChI=1S/C15H12BrNO3/c16-
    12-5-11(13(18)6-14(12)19)
    15(20)17-7-9-3-1-2-4-10(9
    )8-17/h1-6,18-19H,7-8H2;
    OTKZPCDLOLLPPV-UHFFFAOYSA-N    		 c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br;
    Oc1cc(O)c(cc1Br)C(=O)N2Cc3ccccc3C2; Brc1
    cc(c(O)cc1O)C(=O)N3Cc2ccccc2C3    		 (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone
    33628 PV2
    ZINC000095920913    		 1 C14 H13 N O4 S InChI=1S/C14H13NO4S/c16-1
    2-5-6-14(13(17)7-12)20(18
    ,19)15-8-10-3-1-2-4-11(10
    )9-15/h1-7,16-17H,8-9H2;
    GBZLIDQSMMVGSH-UHFFFAOYSA-N    		 c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O;
    Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccccc3C2;
    O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3    		 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol
    33629 PV3
    ZINC000040732681    		 1 C20 H19 Cl N2 O InChI=1S/C20H19ClN2O/c21-
    19-6-3-4-17(12-19)15-24-2
    0-7-2-1-5-18(20)14-23-13-
    16-8-10-22-11-9-16/h1-12,
    23H,13-15H2;
    YRYYIHISROZCQD-UHFFFAOYSA-N    		 c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl; C
    lc1cccc(COc2ccccc2CNCc3ccncc3)c1; Clc1cc
    cc(c1)COc1ccccc1CNCc1ccncc1    		 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine
    33630 PV4
    ZINC000034962079    		 11 C15 H16 O2 InChI=1S/C15H16O2/c1-2-6-
    12-9-10-15(14(16)11-12)17
    -13-7-4-3-5-8-13/h3-5,7-1
    1,16H,2,6H2,1H3;
    JOZACDNAOCTHDN-UHFFFAOYSA-N    		 CCCc1ccc(Oc2ccccc2)c(O)c1; O(c1ccccc1)c2
    ccc(cc2O)CCC; CCCc1ccc(c(c1)O)Oc2ccccc2    		 2-phenoxy-5-propyl-phenol
    33631 PV5
    CHEMBL4748924    		 1 C21 H16 F N7 O InChI=1S/C21H16FN7O/c1-12
    -14(3-2-5-24-12)17-10-26-
    21(29-11-27-28-20(17)29)2
    5-9-16-15-4-6-30-19(15)13
    (8-23)7-18(16)22/h2-3,5,7
    ,10-11H,4,6,9H2,1H3,(H,25
    ,26);
    HTLKMVIYVDETDN-UHFFFAOYSA-N    		 Cc1ncccc1c2cnc(NCc3c(F)cc(C#N)c4OCCc34)n
    5cnnc25; Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c
    (cc(c5c4CCO5)C#N)F    		 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
    33632 PV6
    ZINC000001603710    		 2 C7 H7 N O S InChI=1S/C7H7NOS/c8-7(9)5
    -3-1-2-4-6(5)10/h1-4,10H,
    (H2,8,9);
    RIDMSOMIFFTEJO-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)N)S; O=C(N)c1ccccc1S; NC
    (=O)c1ccccc1S    		 2-sulfanylbenzamide
    33633 PV7 1 C23 H23 N3 O5 S InChI=1S/C23H23N3O5S/c1-2
    3(13-20(27)26-22-24-9-10-
    32-22)17-12-19(18(30-2)11
    -15(17)7-8-25-23)31-16-5-
    3-14(4-6-16)21(28)29/h3-6
    ,9-12,25H,7-8,13H2,1-2H3,
    (H,28,29)(H,24,26,27)/t23
    -/m1/s1;
    CPPVZZXHKAJGRZ-HSZRJFAPSA-N    		 C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O
    )O)CC(=O)Nc4nccs4; CC1(c2cc(c(cc2CCN1)OC
    )Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4; COc1c
    c2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(
    cc4)C(O)=O; c1c3c(cc(OC)c1Oc2ccc(C(O)=O)
    cc2)CCNC3(C)CC(Nc4nccs4)=O; COc1cc2CCN[C
    ](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(cc4)C(O)
    =O    		 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    33634 PV8
    CHEMBL4062355
    ZINC000095920797    		 1 C14 H13 N O5 S InChI=1S/C14H13NO5S/c16-1
    1-2-1-9-7-15(8-10(9)5-11)
    21(19,20)14-4-3-12(17)6-1
    3(14)18/h1-6,16-18H,7-8H2;
    WRKXOYGLVREKOE-UHFFFAOYSA-N    		 c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O;
    Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(O)cc3
    C2; O=S(=O)(c1ccc(O)cc1O)N3Cc2ccc(O)cc2C
    3    		 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol
    33635 PV9
    CHEMBL1201753
    DB08860
    ZINC000001534965    		 1 C25 H24 F N O4 InChI=1S/C25H24FNO4/c26-1
    7-9-7-15(8-10-17)24-20-3-
    1-2-4-22(20)27-25(16-5-6-
    16)21(24)12-11-18(28)13-1
    9(29)14-23(30)31/h1-4,7-1
    2,16,18-19,28-29H,5-6,13-
    14H2,(H,30,31)/b12-11+/t1
    8-,19-/m1/s1;
    VGYFMXBACGZSIL-MCBHFWOFSA-N    		 O=C(O)CC(O)CC(O)/C=C/c1c(c2ccccc2nc1C1CC
    1)c1ccc(F)cc1; O[CH](C[CH](O)C=Cc1c(nc2c
    cccc2c1c3ccc(F)cc3)C4CC4)CC(O)=O; O[C@H]
    (C[C@H](O)/C=C/c1c(nc2ccccc2c1c3ccc(F)cc
    3)C4CC4)CC(O)=O; c1ccc2c(c1)c(c(c(n2)C3C
    C3)C=CC(CC(CC(=O)O)O)O)c4ccc(cc4)F; c1cc
    c2c(c1)c(c(c(n2)C3CC3)/C=C/[C@H](C[C@H](
    CC(=O)O)O)O)c4ccc(cc4)F    		 Pitavastatin;
    (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
    33636 PVA
    ZINC000002569589    		 0 C4 H12 N O3 P InChI=1S/C4H12NO3P/c1-3(2
    )4(5)9(6,7)8/h3-4H,5H2,1-
    2H3,(H2,6,7,8)/t4-/m1/s1;
    DGSLPJDIFKVSIB-SCSAIBSYSA-N    		 CC(C)C(N)P(=O)(O)O; CC(C)[C@H](N)P(=O)(O
    )O; O=P(O)(O)C(N)C(C)C; CC(C)[CH](N)[P](
    O)(O)=O; CC(C)[C@H](N)[P](O)(O)=O    		 1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID
    33637 PVB
    CHEMBL23254
    DB02733
    ZINC000000582590    		 6 C20 H25 Cl N6 O3 InChI=1S/C20H25ClN6O3/c1-
    10(2)15(8-28)24-20-25-17(
    16-18(26-20)27(9-22-16)11
    (3)4)23-12-5-6-13(19(29)3
    0)14(21)7-12/h5-7,9-11,15
    ,28H,8H2,1-4H3,(H,29,30)(
    H2,23,24,25,26)/t15-/m0/s
    1;
    ZKDXRFMOHZVXSG-HNNXBMFYSA-N    		 CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)N
    c3ccc(c(c3)Cl)C(=O)O; CC(C)C(CO)Nc1nc(c2
    c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O;
    CC(C)[CH](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2
    )c3ncn(C(C)C)c3n1; CC(C)[C@H](CO)Nc1nc(N
    c2ccc(C(O)=O)c(Cl)c2)c3ncn(C(C)C)c3n1; O
    =C(O)c1ccc(cc1Cl)Nc3nc(nc2c3ncn2C(C)C)NC
    (C(C)C)CO    		 PURVALANOL B;
    2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID
    33638 PVC
    DB08438
    ZINC000100036745    		 1 C22 H40 O8 InChI=1S/C22H40O8/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-18(24)30-16-17(23)19
    (25)20(26)21(27)22(28)29/
    h17,19,23,25-27H,2-16H2,1
    H3,(H,28,29)/b21-20-/t17-
    ,19+/m0/s1;
    XWTWKBKNEMLBKW-KCWNHAIFSA-N    		 O=C(OCC(O)C(O)C(/O)=C(/O)C(=O)O)CCCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C
    @H](/C(=C(\C(=O)O)/O)/O)O)O; CCCCCCCCCCC
    CCCCC(=O)OC[CH](O)[CH](O)C(O)=C(O)C(O)=O
    ; CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O
    )\C(O)=C(O)/C(O)=O; CCCCCCCCCCCCCCCC(=O)
    OCC(C(C(=C(C(=O)O)O)O)O)O    		 (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID
    33639 PVE
    ZINC000103554187    		 10 C17 H18 N3 O7 InChI=1S/C17H17N3O7/c21-1
    2-6-8-5-9(19-14(23)1-2-15
    (24)25)16-18-4-3-10(17(26
    )27)20(16)11(8)7-13(12)22
    /h5-7,10H,1-4H2,(H5,18,19
    ,21,22,23,24,25,26,27)/p+
    1/t10-/m0/s1;
    PKIXPGNFUHEBHN-JTQLQIEISA-O    		 c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCCC
    3C(=O)O)O)O; OC(=O)CCC(=O)Nc1cc2cc(O)c(O
    )cc2[n+]3[CH](CCNc13)C(O)=O; c1c2cc(c(cc
    2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O
    )O)O; OC(=O)CCC(=O)Nc1cc2cc(O)c(O)cc2[n+
    ]3[C@@H](CCNc13)C(O)=O; O=C(O)CCC(=O)Nc1
    cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3    		 (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM
    33640 PVF
    ZINC000011801327    		 1 C14 H14 Cl N O InChI=1S/C14H14ClNO/c15-1
    3-6-4-11(5-7-13)10-17-14-
    3-1-2-12(8-14)9-16/h1-8H,
    9-10,16H2;
    CHSPACIWWGSTQT-UHFFFAOYSA-N    		 Clc1ccc(COc2cc(CN)ccc2)cc1; NCc1cccc(OCc
    2ccc(Cl)cc2)c1; c1cc(cc(c1)OCc2ccc(cc2)C
    l)CN    		 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine
    33641 PVG
    ZINC000098209324    		 2 C33 H40 N4 O6 InChI=1S/C33H40N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h13,15,27,35H,7-12,14H
    2,1-6H3,(H,36,43)(H,37,42
    )(H,38,39)(H,40,41)/b26-1
    3+,28-15-/t27-/m0/s1;
    YWHXTEHCIWOHBT-STWNLGFLSA-N    		 CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3
    /C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)C
    CC(=O)O)CCC(=O)O)C)C; CCC1=C(C)C(=O)N[CH
    ]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C
    (=C3CCC(O)=O)C)c(CCC(O)=O)c2C; CCC1=C(C(
    =O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4
    C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)
    C; CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3/N
    =C(\C=C/4NC(=O)C(=C/4C)CC)C(=C3CCC(O)=O)
    C)c(CCC(O)=O)c2C    		 Phycoviolobilin, green light-absorbing form
    33642 PVH 18 C7 H12 N3 O2 InChI=1S/C7H11N3O2/c1-12-
    7(11)6(8)2-5-3-9-4-10-5/h
    3-4,6H,2,8H2,1H3,(H,9,10)
    /p+1/t6-/m0/s1;
    BXRMEWOQUXOLDH-LURJTMIESA-O    		 COC(=O)C(Cc1c[nH]c[nH+]1)N; COC(=O)[C@H]
    (Cc1c[nH]c[nH+]1)N; COC(=O)[CH](N)Cc1c[n
    H]c[nH+]1; COC(=O)[C@@H](N)Cc1c[nH]c[nH+
    ]1; O=C(OC)C(N)Cc1cnc[nH+]1    		 HISTIDINE-METHYL-ESTER
    33643 PVI
    CHEMBL1794750    		 4 C7 H11 N O4 InChI=1S/C7H11NO4/c8-4-1-
    3(7(11)12)2-5(9)6(4)10/h1
    ,4-6,9-10H,2,8H2,(H,11,12
    )/t4-,5+,6+/m0/s1;
    WPZSUTUAATWRPU-KVQBGUIXSA-N    		 N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O; C1[C@H]
    ([C@@H](C(C=C1C(=O)O)N)O)O; N[C@H]1C=C(C
    [C@@H](O)[C@@H]1O)C(O)=O; C1C(C(C(C=C1C(
    =O)O)N)O)O    		 (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid;
    (4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
    33644 PVJ 1 C28 H30 F N3 O6 S InChI=1S/C28H30FN3O6S/c1-
    28(15-25(33)32-27-30-9-11
    -39-27)21-14-24(38-18-5-6
    -20(26(34)35)22(29)13-18)
    23(12-17(21)7-8-31-28)37-
    16-19-4-2-3-10-36-19/h5-6
    ,9,11-14,19,31H,2-4,7-8,1
    0,15-16H2,1H3,(H,34,35)(H
    ,30,32,33)/t19-,28+/m0/s1;
    VYXFBZAJVWTJQP-HMILPKGGSA-N    		 C[C]1(CC(=O)Nc2sccn2)NCCc3cc(OC[CH]4CCCC
    O4)c(Oc5ccc(C(O)=O)c(F)c5)cc13; C[C@]1(c
    2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c
    4)F)C(=O)O)CC(=O)Nc5nccs5; N1CCc4c(C1(C)
    CC(Nc2nccs2)=O)cc(c(OCC3CCCCO3)c4)Oc5cc(
    c(cc5)C(O)=O)F; C[C@]1(CC(=O)Nc2sccn2)NC
    Cc3cc(OC[C@@H]4CCCCO4)c(Oc5ccc(C(O)=O)c(
    F)c5)cc13; CC1(c2cc(c(cc2CCN1)OCC3CCCCO3
    )Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5    		 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    33645 PVK
    CHEMBL4077177    		 1 C9 H11 N3 O5 InChI=1S/C9H11N3O5/c10-5(
    8(14)15)1-12-6-3-17-2-4(6
    )7(13)11-9(12)16/h5H,1-3,
    10H2,(H,14,15)(H,11,13,16
    )/t5-/m0/s1;
    IFUIGRBRINDTIJ-YFKPBYRVSA-N    		 C1C2=C(CO1)N(C(=O)NC2=O)CC(C(=O)O)N; N[C
    @@H](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O; C1C
    2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N; N
    [CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O    		 (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione;
    (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
    33646 PVL 0 C3 H4 O2 InChI=1/C3H4O2/c1-3(5)2-4
    /h2H,1H3;
    AIJULSRZWUXGPQ-UHFFFAOYAZ    		 CC(=O)C=O; O=CC(=O)C PYRUVOYL GROUP
    33647 PVM 1 C38 H35 F N8 O7 S InChI=1S/C38H35FN8O7S/c1-
    22-16-30(44-47(35(22)49)2
    4-4-6-25(52-3)7-5-24)31-2
    1-46(45-43-31)13-14-53-32
    -17-23-10-11-41-38(2,20-3
    4(48)42-37-40-12-15-55-37
    )28(23)19-33(32)54-26-8-9
    -27(36(50)51)29(39)18-26/
    h4-9,12,15-19,21,41H,10-1
    1,13-14,20H2,1-3H3,(H,50,
    51)(H,40,42,48)/t38-/m1/s
    1;
    CKGQJOFAVYEVFG-KXQOOQHDSA-N    		 CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CC
    Oc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NC
    C5)(C)CC(=O)Nc7nccs7; COc1ccc(cc1)N2N=C(
    C=C(C)C2=O)c3cn(CCOc4cc5CCN[C](C)(CC(=O)
    Nc6sccn6)c5cc4Oc7ccc(C(O)=O)c(F)c7)nn3;
    CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CC
    Oc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)C(NCC5)(
    C)CC(=O)Nc7nccs7; COc1ccc(cc1)N2N=C(C=C(
    C)C2=O)c3cn(CCOc4cc5CCN[C@](C)(CC(=O)Nc6
    sccn6)c5cc4Oc7ccc(C(O)=O)c(F)c7)nn3; N7C
    (C)(CC(Nc1nccs1)=O)c6cc(Oc2cc(c(cc2)C(=O
    )O)F)c(OCCn5cc(C3=NN(C(C(=C3)C)=O)c4ccc(
    cc4)OC)nn5)cc6CC7    		 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    33648 PVN 41 C33 H40 N4 O6 InChI=1S/C33H40N4O7/c1-7-
    20-15(2)25(36-33(20)44)12
    -23-16(3)21(8-10-29(39)40
    )26(34-23)14-27-22(9-11-3
    0(41)42)17(4)24(35-27)13-
    28-31(19(6)38)18(5)32(43)
    37-28/h12,14,19,28,35,38H
    ,7-11,13H2,1-6H3,(H,36,44
    )(H,37,43)(H,39,40)(H,41,
    42)/b25-12+,26-14-/t19?,2
    8-/m1/s1;
    SYEAKBPGLNVPDH-HVONXEAXSA-N    		 CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C
    4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O
    )=O)c2C; CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C
    =C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CC
    C(=O)O)CCC(=O)O)C)C; CCC1=C(C(=O)N[C@@H]
    1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4
    \C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C
    )C; CCC1=C(C)C(=O)N[C@@H]1Cc2[nH]c(\C=C\
    3N=C(\C=C/4NC(=O)C(=C/4C)CC)C(=C\3CCC(O)
    =O)C)c(CCC(O)=O)c2C    		 PHYCOVIOLOBILIN;
    Phycoviolobilin, bound form
    33649 PVO 3 C3 H6 O4 InChI=1S/C3H6O4/c1-3(6,7)
    2(4)5/h6-7H,1H3,(H,4,5);
    HPQUMJNDQVOTAZ-UHFFFAOYSA-N    		 CC(O)(O)C(O)=O; CC(C(=O)O)(O)O 2,2-bis(oxidanyl)propanoic acid
    33650 PVP
    CHEMBL460432
    ZINC000019924596    		 1 C16 H20 Cl N5 O InChI=1S/C16H20ClN5O/c1-1
    2-14(17)16(22-8-6-21(7-9-
    22)10-11-23)20-15(19-12)1
    3-4-2-3-5-18-13/h2-5,23H,
    6-11H2,1H3;
    NLGYGVCRRXIJRR-UHFFFAOYSA-N    		 Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)c3ccccn3; Cc
    1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl; Cl
    c2c(nc(nc2N1CCN(CCO)CC1)c3ncccc3)C    		 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol
    33651 PVQ
    CHEMBL4066795    		 1 C9 H12 N4 O4 InChI=1S/C9H12N4O4/c10-5(
    8(15)16)3-13-6-2-11-1-4(6
    )7(14)12-9(13)17/h5,11H,1
    -3,10H2,(H,15,16)(H,12,14
    ,17)/t5-/m0/s1;
    PGFCMMRTCMWFGC-YFKPBYRVSA-N    		 N[C@@H](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O;
    C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
    ; C1C2=C(CN1)N(C(=O)NC2=O)CC(C(=O)O)N; N
    [CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O    		 (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione;
    (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
    33652 PVR 1 C16 H22 N4 O2 InChI=1S/C16H22N4O2/c1-12
    (21)20-8-6-19(7-9-20)11-1
    6(22)18-15-10-17-5-4-14(1
    5)13-2-3-13/h4-5,10,13H,2
    -3,6-9,11H2,1H3,(H,18,22);
    QSGGZCHNCXCCMN-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3; O=
    C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1    		 2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
    33653 PVS
    CHEMBL165058
    ZINC000000391881    		 1 C8 H8 O2 S InChI=1S/C8H8O2S/c1-2-11(
    9,10)8-6-4-3-5-7-8/h2-7H,
    1H2;
    UJTPZISIAWDGFF-UHFFFAOYSA-N    		 C=CS(=O)(=O)c1ccccc1; C=C[S](=O)(=O)c1cc
    ccc1; sulfone    		 (ethenylsulfonyl)benzene;
    Phenyl Vinyl Sulphone
    33654 PVT 4 C19 H15 F3 N6 O InChI=1S/C19H15F3N6O/c20-
    19(21,22)14-10-25-18(28-1
    7(14)24-9-11-2-1-5-23-8-1
    1)26-13-3-4-15-12(6-13)7-
    16(29)27-15/h1-6,8,10H,7,
    9H2,(H,27,29)(H2,24,25,26
    ,28);
    HOEAQQRLTIBABU-UHFFFAOYSA-N    		 FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4
    cccnc4; c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(
    c3)CC(=O)N4)C(F)(F)F    		 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
    33655 PVU
    ZINC000040732574    		 1 C20 H19 Cl N2 O InChI=1S/C20H19ClN2O/c21-
    19-8-3-5-16(11-19)15-24-2
    0-9-2-1-7-18(20)14-23-13-
    17-6-4-10-22-12-17/h1-12,
    23H,13-15H2;
    VMYKVGAJFNTRAQ-UHFFFAOYSA-N    		 Clc1cccc(COc2ccccc2CNCc3cccnc3)c1; c1ccc
    (c(c1)CNCc2cccnc2)OCc3cccc(c3)Cl; Clc1cc
    cc(c1)COc1ccccc1CNCc1cccnc1    		 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine
    33656 PVV 1 C17 H21 N3 O3 S InChI=1S/C17H21N3O3S/c1-1
    7(10-15(21)20-16-18-6-7-2
    4-16)12-9-14(23-3)13(22-2
    )8-11(12)4-5-19-17/h6-9,1
    9H,4-5,10H2,1-3H3,(H,18,2
    0,21)/t17-/m1/s1;
    GGTAOAOMAPVDLB-QGZVFWFLSA-N    		 COc1cc2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1OC
    ; C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3n
    ccs3; c32c(C(CC(Nc1nccs1)=O)(C)NCC2)cc(c
    (c3)OC)OC; CC1(c2cc(c(cc2CCN1)OC)OC)CC(=
    O)Nc3nccs3; COc1cc2CCN[C](C)(CC(=O)Nc3sc
    cn3)c2cc1OC    		 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
    33657 PVW
    ZINC000089469611    		 2 C8 H10 N4 O2 S InChI=1S/C8H10N4O2S/c1-14
    -3-2-12-6-5(9-4-10-6)7(13
    )11-8(12)15/h4H,2-3H2,1H3
    ,(H,9,10)(H,11,13,15);
    VXTADZREIUKIHH-UHFFFAOYSA-N    		 O=C2c1c(ncn1)N(C(=S)N2)CCOC; COCCN1C(=S)
    NC(=O)c2[nH]cnc12; COCCN1c2c([nH]cn2)C(=
    O)NC1=S    		 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
    33658 PVX
    ZINC000098209326    		 0 C27 H26 N5 O15 P InChI=1S/C27H26N5O15P/c1-
    42-11-5-12-17(21-16(11)8-
    2-3-9(34)15(8)25(38)46-21
    )18-20(36)24(47-26(18)45-
    12)32(7-33)19-22(30-27(28
    )31-23(19)37)29-14-4-10(3
    5)13(44-14)6-43-48(39,40)
    41/h2-3,5,7,10,13-14,18,2
    0,24,26,35-36H,4,6H2,1H3,
    (H2,39,40,41)(H4,28,29,30
    ,31,37)/t10-,13+,14+,18+,
    20+,24+,26-/m0/s1;
    OKIQEPDWYKTICF-MHRKVAGWSA-N    		 COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)C5C(
    C(OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O
    7)COP(=O)(O)O)O)O; COc1cc2O[C@H]3O[C@H](
    [C@H](O)[C@H]3c2c4OC(=O)C5=C(C=CC5=O)c14
    )N(C=O)C6=C(N[C@H]7C[C@H](O)[C@@H](CO[P]
    (O)(O)=O)O7)N=C(N)NC6=O; COc1cc2O[CH]3O[
    CH]([CH](O)[CH]3c2c4OC(=O)C5=C(C=CC5=O)c
    14)N(C=O)C6=C(N[CH]7C[CH](O)[CH](CO[P](O
    )(O)=O)O7)N=C(N)NC6=O; O=P(O)(O)OCC7OC(N
    C=1N=C(N)NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3
    c(OC(=O)C=2C(=O)C=CC=23)c4C6C5O)CC7O; CO
    c1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]
    5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(
    NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(
    O)O)O)O
    33659 PVY 1 C35 H44 N3 O6 InChI=1S/C35H43N3O6/c1-6-
    7-8-9-17-42-19-20-43-18-1
    6-36-34(39)24-10-13-27(35
    (40)41)30(21-24)33-28-14-
    11-25(37(2)3)22-31(28)44-
    32-23-26(38(4)5)12-15-29(
    32)33/h10-15,21-23H,6-9,1
    6-20H2,1-5H3,(H-,36,39,40
    ,41)/p+1;
    HKVFTIWQXRNXNR-UHFFFAOYSA-O    		 CCCCCCOCCOCCNC(c1cc(c(cc1)C(O)=O)C3=C2C(
    =CC(/C=C2)=[N+](\C)C)Oc4cc(ccc34)N(C)C)=
    O; CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=C
    C(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O
    ; CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2
    =C3C=CC(C=C3Oc4cc(ccc24)N(C)C)=[N+](C)C    		 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium
    33660 PVZ
    ZINC000095591505    		 4 C14 H29 N2 O7 P2 InChI=1S/C14H28N2O7P2/c1-
    2-3-4-5-6-7-8-9-15-10-11-
    16(13-15)12-14(17,24(18,1
    9)20)25(21,22)23/h10-11,1
    3,17H,2-9,12H2,1H3,(H3-,1
    8,19,20,21,22,23)/p+1;
    ANVJZSKZYXLDSP-UHFFFAOYSA-O    		 O=P(O)(O)C(O)(P(=O)(O)O)C[n+]1ccn(c1)CCC
    CCCCCC; CCCCCCCCCn1cc[n+](CC(O)([P](O)(O
    )=O)[P](O)(O)=O)c1; CCCCCCCCCn1cc[n+](c1
    )CC(O)(P(=O)(O)O)P(=O)(O)O    		 [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
    33661 PW0 3 C13 H17 N2 O9 P InChI=1S/C13H17N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4,18H,2-3
    ,5-6H2,1H3,(H,16,17)(H,19
    ,20)(H2,21,22,23);
    AQYBBWUPMNWMHD-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN=C(CCC(O)=O)C(O
    )=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C
    CC(=O)O)C(=O)O)O    		 (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid
    33662 PW1 2 C13 H12 F2 N O InChI=1S/C13H11F2NO/c14-1
    1-7-6-9(8-16)12(15)13(11)
    17-10-4-2-1-3-5-10/h1-7H,
    8,16H2/p+1;
    OPHNCLQYKIKHON-UHFFFAOYSA-O    		 c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F; Fc2c(c
    cc(F)c2Oc1ccccc1)C[NH3+]; [NH3+]Cc1ccc(F
    )c(Oc2ccccc2)c1F    		 [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
    33663 PW2 9 C19 H16 N2 O5 InChI=1S/C19H16N2O5/c1-26
    -15-5-4-11-6-12(2-3-13(11
    )7-15)14-8-16(22)18(20-9-
    14)19(25)21-10-17(23)24/h
    2-9,22H,10H2,1H3,(H,21,25
    )(H,23,24);
    PJNFXXUNCQIGBZ-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(
    O)=O; COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)
    NCC(=O)O)O    		 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
    33664 PW3
    ZINC000039278244    		 0 C6 H10 N2 O2 InChI=1S/C6H10N2O2/c1-5(9
    )8-3-2-7-6(10)4-8/h2-4H2,
    1H3,(H,7,10);
    ISNPMTVERREURB-UHFFFAOYSA-N    		 CC(=O)N1CCNC(=O)C1 4-acetyl-piperazin-2-one
    33665 PW5 1 C11 H13 Br N2 O3 InChI=1S/C11H13BrN2O3/c1-
    6-5-8(13-7(2)11(6)12)14-9
    (15)3-4-10(16)17/h5H,3-4H
    2,1-2H3,(H,16,17)(H,13,14
    ,15);
    AYWBCWUDJKSIMU-UHFFFAOYSA-N    		 Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O; Cc1cc(NC
    (=O)CCC(O)=O)nc(C)c1Br    		 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
    33666 PW6 1 C27 H30 O3 InChI=1S/C27H30O3/c1-25(2
    6(2)28)23-21-19-17-15-13-
    11-9-7-5-3-4-6-8-10-12-14
    -16-18-20-22-24-27(29)30/
    h3-19,21-24H,20H2,1-2H3,(
    H,29,30)/b5-3+,6-4+,9-7-,
    10-8+,13-11+,14-12-,17-15
    -,18-16+,21-19+,24-22+,25
    -23+;
    ZUWHINCAQDXMJU-JXLQPSFDSA-N    		 CC(=O)C(/C)=C/C=C/C=C\C=C\C=C/C=C/C=C/C=
    C/C=C\C=C\C/C=C/C(O)=O; CC(=CC=CC=CC=CC=
    CC=CC=CC=CC=CC=CCC=CC(=O)O)C(=O)C; CC(=O
    )C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(
    O)=O; C/C(=C\C=C\C=C/C=C/C=C\C=C\C=C\C=C
    \C=C/C=C/CC=CC(=O)O)/C(=O)C    		 (2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid;
    Dehydro laetiporic acid
    33667 PW7
    ZINC000001023366    		 4 C5 H4 F3 N3 InChI=1S/C5H4F3N3/c6-5(7,
    8)3-1-2-10-4(9)11-3/h1-2H
    ,(H2,9,10,11);
    NKOTXYPTXKUCDL-UHFFFAOYSA-N    		 Nc1nc(ccn1)C(F)(F)F; c1cnc(nc1C(F)(F)F)N
    ; Nc1nccc(n1)C(F)(F)F    		 4-(trifluoromethyl)pyrimidin-2-amine
    33668 PW8 1 C13 H11 Br N2 O3 InChI=1S/C13H11BrN2O3/c14
    -10-3-1-2-8-7-15-11(6-9(8
    )10)16-12(17)4-5-13(18)19
    /h1-3,6-7H,4-5H2,(H,18,19
    )(H,15,16,17);
    AJBZFYAXPKNJJI-UHFFFAOYSA-N    		 c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O; OC(=
    O)CCC(=O)Nc1cc2c(Br)cccc2cn1    		 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
    33669 PW9 3 O34 P W9 InChI=1S/O4P.30O.9W/c1-5(
    2,3)4;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;/q+4;;
    ;;;;;;;;;;;;;;15*-1;;;;;;
    ;;;;
    FITSDOGSJOFYAU-UHFFFAOYSA-N    		 [O-][W]123([O-])O[W]45([O-])([O-])O[W]67
    ([O-])([O-])O[W]89([O-])([O-])O[W]%10%11
    ([O-])([O-])O[W]%12([O-])([O-])(O1)O[W]%
    13%14([O-])(O2)O[W]%15([O-])(O4)(O6)O[W]
    ([O-])(O%10)(O8)(O%13)[O++]%14%15[P-]([O
    +]35)([O+]%11%12)[O+]79; [O-][W]123(O[W]
    45([O+]1[P-]67[O+]8[W]9(O2)(O[W]81(O[W]2
    8([O+]6[W](O2)(O4)(O[W]24(O5)([O+2]75[W]
    (O3)(O9)(O2)(O[W]5(O1)(O8)(O4)[O-])[O-])
    [O-])([O-])[O-])([O-])[O-])([O-])[O-])([
    O-])[O-])([O-])[O-])[O-]    		 Trilacunary Keggin
    33670 PWA
    CHEMBL1949849
    ZINC000002548718    		 5 C8 H5 F N2 O InChI=1S/C8H5FN2O/c9-5-1-
    2-6-7(3-5)10-4-11-8(6)12/
    h1-4H,(H,10,11,12);
    KCORZHJVTZIZFD-UHFFFAOYSA-N    		 c1cc2c(cc1F)N=CNC2=O; Fc1ccc2C(=O)NC=Nc2
    c1; N1C(c2c(N=C1)cc(cc2)F)=O    		 7-fluoroquinazolin-4(3H)-one
    33671 PWB 3 C20 H24 F2 N10 O9 P2 S InChI=1S/C20H22F2N10O9P2S
    /c21-9-13-8(39-19(9)31-5-
    29-11-15(23)25-3-27-17(11
    )31)2-37-43(35,44)41-14-7
    (1-36-42(33,34)40-13)38-2
    0(10(14)22)32-6-30-12-16(
    24)26-4-28-18(12)32/h3-10
    ,13-14,19-20H,1-2H2,(H,33
    ,34)(H,35,44)(H2,23,25,27
    )(H2,24,26,28)/p+2/t7-,8-
    ,9-,10-,13-,14-,19-,20-,4
    3-/m1/s1;
    ACFLUKTZBKNITE-VIORMFSVSA-P    		 [NH3+]c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)
    (=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)
    O[CH]4[CH]3F)n6cnc7c([NH3+])ncnc67; [NH3
    +]c1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](S
    )(=O)O[C@H]5[C@@H](F)[C@@H](O[C@@H]5CO[P
    ](O)(=O)O[C@H]4[C@H]3F)n6cnc7c([NH3+])nc
    nc67; c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=
    O)(OC5C(COP(=O)(O4)S)OC(C5F)n6cnc7c6ncnc
    7[NH3+])O)F)[NH3+]; c1nc(c2c(n1)n(cn2)[C
    @H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H
    ]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6
    cnc7c6ncnc7[NH3+])O)F)[NH3+]    		 3',3'-c-[2'FdAMP-2'FdAM(PS)];
    9-[(1~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3-oxidanyl-3,12-bis(oxidanylidene)-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
    33672 PWC 1 C37 H44 Cl N5 O9 InChI=1S/C37H44ClN5O9/c1-
    21-8-7-9-29(49-6)37(47)20
    -28(50-35(46)41-37)22(2)3
    3-36(3,52-33)30(51-34(45)
    25-12-10-23(11-13-25)14-1
    5-40-42-39)19-31(44)43(4)
    26-17-24(16-21)18-27(48-5
    )32(26)38/h7-13,17-18,22,
    28-30,33,47H,14-16,19-20H
    2,1-6H3,(H,41,46)/b9-7+,2
    1-8+/t22-,28+,29-,30+,33+
    ,36+,37+/m1/s1;
    DJSVVZJDEHZVOP-YZSAATMKSA-N    		 C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc
    3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]
    1O4)C)OC(=O)c5ccc(cc5)CCN=[N+]=[N-])C)\C
    )OC)(NC(=O)O2)O; CO[C@@H]1\C=C\C=C(C)\Cc
    2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)c
    3ccc(CCN=[N+]=[N-])cc3)[C@]4(C)O[C@H]4[C
    @H](C)[C@@H]5C[C@@]1(O)NC(=O)O5; CO[CH]1
    C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C
    H](OC(=O)c3ccc(CCN=[N+]=[N-])cc3)[C]4(C)
    O[CH]4[CH](C)[CH]5C[C]1(O)NC(=O)O5; CC1C
    2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C
    C(C4(C1O4)C)OC(=O)c5ccc(cc5)CCN=[N+]=[N-
    ])C)C)OC)(NC(=O)O2)O    		 [(1~{S},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] 4-[2-(2-azanylhydrazinyl)ethyl]benzoate
    33673 PWD
    CHEMBL4532450
    ZINC000014400996    		 5 C7 H5 F N2 InChI=1S/C7H5FN2/c8-6-3-5
    -1-2-9-7(5)10-4-6/h1-4H,(
    H,9,10);
    BALBNSFYMXBWNM-UHFFFAOYSA-N    		 c1c[nH]c2c1cc(cn2)F; n1c2c(cc1)cc(cn2)F;
    Fc1cnc2[nH]ccc2c1    		 5-fluoro-1H-pyrrolo[2,3-b]pyridine
    33674 PWE 4 C29 H56 O16 P2 InChI=1S/C29H56O16P2/c1-3
    -5-6-7-8-9-10-11-12-13-14
    -15-16-18-23(31)43-21(19-
    41-22(30)17-4-2)20-42-47(
    39,40)45-29-26(34)24(32)2
    5(33)28(27(29)35)44-46(36
    ,37)38/h21,24-29,32-35H,3
    -20H2,1-2H3,(H,39,40)(H2,
    36,37,38)/t21-,24+,25+,26
    +,27-,28+,29+/m1/s1;
    NJKPWDMBQIOYJP-IKLUZTLWSA-N    		 C1(C(C(OP(O)(O)=O)C(O)C(C1O)O)O)OP(O)(=O
    )OCC(COC(CCC)=O)OC(CCCCCCCCCCCCCCC)=O; C
    CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP
    (=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](
    [C@H]1O)OP(=O)(O)O)O)O)O; CCCCCCCCCCCCCC
    CC(=O)O[C@H](COC(=O)CCC)CO[P](O)(=O)O[C@
    H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[P](
    O)(O)=O)[C@H]1O; CCCCCCCCCCCCCCCC(=O)O[C
    H](COC(=O)CCC)CO[P](O)(=O)O[CH]1[CH](O)[
    CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O; C
    CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(=O)
    (O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O    		 (2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate
    33675 PWF
    CHEMBL442022
    ZINC000001642021    		 2 C18 H18 O4 InChI=1S/C18H18O4/c1-21-1
    7-13-15(7-9-16(17)19)8-10
    -18(20)22-12-11-14-5-3-2-
    4-6-14/h2-10,13,19H,11-12
    H2,1H3/b10-8+;
    CZQNYPBIOHVQQN-CSKARUKUSA-N    		 COc1cc(ccc1O)\C=C\C(=O)OCCc2ccccc2; COc1
    cc(ccc1O)C=CC(=O)OCCc2ccccc2; COc1cc(ccc
    1O)/C=C/C(=O)OCCc2ccccc2; O=C(OCCc1ccccc
    1)\C=C\c2cc(OC)c(O)cc2    		 2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    33676 PWG
    ZINC000001406513    		 6 C8 H4 F5 N3 InChI=1S/C8H4F5N3/c9-5(10
    )7-15-14-6-4(8(11,12)13)2
    -1-3-16(6)7/h1-3,5H;
    IXNLNZKUZJOGKO-UHFFFAOYSA-N    		 n2c1c(C(F)(F)F)cccn1c(n2)C(F)F; FC(F)c1n
    nc2n1cccc2C(F)(F)F; c1cc(c2nnc(n2c1)C(F)
    F)C(F)(F)F    		 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
    33677 PWH
    CHEMBL471184
    ZINC000001531861    		 2 C14 H16 O4 InChI=1S/C14H16O4/c1-10(2
    )7-8-18-14(17)6-4-11-3-5-
    12(15)13(16)9-11/h3-7,9,1
    5-16H,8H2,1-2H3/b6-4+;
    TTYOHMFLCXENHR-GQCTYLIASA-N    		 O=C(OC\C=C(/C)C)\C=C\c1cc(O)c(O)cc1; CC(
    C)=CCOC(=O)C=Cc1ccc(O)c(O)c1; CC(=CCOC(=
    O)C=Cc1ccc(c(c1)O)O)C; CC(=CCOC(=O)/C=C/
    c1ccc(c(c1)O)O)C; CC(C)=CCOC(=O)/C=C/c1c
    cc(O)c(O)c1    		 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    33678 PWI 1 C18 H17 Cl2 N O InChI=1S/C18H17Cl2NO/c1-2
    1-10-2-3-11-22-13-15-12-1
    7(20)8-9-18(15)14-4-6-16(
    19)7-5-14/h4-9,12,21H,10-
    11,13H2,1H3;
    FJNMVNJFSRLFRZ-UHFFFAOYSA-N    		 CNCC#CCOCc1cc(Cl)ccc1c2ccc(Cl)cc2; CNCC#
    CCOCc1cc(ccc1c2ccc(cc2)Cl)Cl    		 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine
    33679 PWJ
    ZINC000043827502    		 4 C9 H3 Cl F3 N3 InChI=1S/C9H3ClF3N3/c10-7
    -5(3-14)6(9(11,12)13)4-16
    -2-1-15-8(7)16/h1-2,4H;
    LZNKCWCPVGMYFS-UHFFFAOYSA-N    		 FC(F)(F)c1cn2ccnc2c(Cl)c1C#N; n21c(ncc1)
    c(c(c(c2)C(F)(F)F)C#N)Cl; c1cn2cc(c(c(c2
    n1)Cl)C#N)C(F)(F)F    		 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile
    33680 PWK
    CHEMBL375927
    ZINC000001863457    		 2 C20 H26 O4 InChI=1S/C20H26O4/c1-13(9
    -15-5-7-17(21)19(11-15)23
    -3)14(2)10-16-6-8-18(22)2
    0(12-16)24-4/h5-8,11-14,2
    1-22H,9-10H2,1-4H3/t13-,1
    4-/m1/s1;
    ADFOLUXMYYCTRR-ZIAGYGMSSA-N    		 COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c
    2)ccc1O; Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)
    c(OC)c2; CC(Cc1ccc(c(c1)OC)O)C(C)Cc2ccc(
    c(c2)OC)O; C[C@H](Cc1ccc(c(c1)OC)O)[C@H]
    (C)Cc2ccc(c(c2)OC)O; COc1cc(C[CH](C)[CH]
    (C)Cc2ccc(O)c(OC)c2)ccc1O    		 4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol);
    Dihydroguaiaretic acid
    33681 PWL
    CHEMBL4932251
    ZINC000253400185    		 1 C7 H6 Br N3 InChI=1S/C7H6BrN3/c8-4-3-
    6-5(1-2-10-6)11-7(4)9/h1-
    3,10H,(H2,9,11);
    KWMNCAVOUYPKNE-UHFFFAOYSA-N    		 c1c[nH]c2c1nc(c(c2)Br)N; Brc1cc2[NH]ccc2
    nc1N; Nc1nc2cc[nH]c2cc1Br    		 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
    33682 PWM
    CHEMBL1949840
    ZINC000016159494    		 6 C8 H5 F N2 O InChI=1S/C8H5FN2O/c9-5-2-
    1-3-6-7(5)8(12)11-4-10-6/
    h1-4H,(H,10,11,12);
    UXEZULVIMJVIFB-UHFFFAOYSA-N    		 c1cc2c(c(c1)F)C(=O)NC=N2; N1C(=O)c2c(N=C
    1)cccc2F; Fc1cccc2N=CNC(=O)c12    		 5-fluoroquinazolin-4(3H)-one
    33683 PWN 2 C12 H12 N2 O4 InChI=1S/C12H12N2O4/c15-7
    -3-6-11(16)14-13-8-9-4-1-
    2-5-10(9)12(17)18/h1-2,4-
    5,7-8H,3,6H2,(H,14,16)(H,
    17,18)/b13-8+;
    OXKLPPJJEXEJQI-MDWZMJQESA-N    		 c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O; OC(=
    O)c1ccccc1/C=N/NC(=O)CCC=O; c1ccc(c(c1)C
    =NNC(=O)CCC=O)C(=O)O; OC(=O)c1ccccc1C=NN
    C(=O)CCC=O    		 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
    33684 PWP
    CHEMBL1949843
    ZINC000016082604    		 6 C8 H5 F N2 O InChI=1S/C8H5FN2O/c9-5-1-
    2-7-6(3-5)8(12)11-4-10-7/
    h1-4H,(H,10,11,12);
    WCSMZAHKVXOYLH-UHFFFAOYSA-N    		 c1cc2c(cc1F)C(=O)NC=N2; N2C(c1cc(F)ccc1N
    =C2)=O; Fc1ccc2N=CNC(=O)c2c1    		 6-fluoroquinazolin-4(3H)-one
    33685 PWQ 1 C12 H12 N2 O4 InChI=1S/C12H12N2O4/c15-7
    -1-2-11(16)14-13-8-9-3-5-
    10(6-4-9)12(17)18/h3-8H,1
    -2H2,(H,14,16)(H,17,18)/b
    13-8+;
    YBTAMVPSZKNTLP-MDWZMJQESA-N    		 c1cc(ccc1C=NNC(=O)CCC=O)C(=O)O; OC(=O)c1
    ccc(cc1)/C=N/NC(=O)CCC=O; c1cc(ccc1/C=N/
    NC(=O)CCC=O)C(=O)O; OC(=O)c1ccc(cc1)C=NN
    C(=O)CCC=O    		 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
    33686 PWR 1 C19 H15 Cl N2 O3 InChI=1S/C19H15ClN2O3/c20
    -13-5-6-18-16(9-13)15(7-8
    -25-18)19(23)21-17-11-22(
    24)10-12-3-1-2-4-14(12)17
    /h1-6,9-11,15H,7-8H2,(H,2
    1,23)/t15-/m1/s1;
    CJFRFTLFKMUSPS-OAHLLOKOSA-N    		 [O-][n+]1cc2ccccc2c(c1)NC(=O)C1CCOc2ccc(
    Cl)cc21; c1ccc2c(c1)c[n+](cc2NC(=O)C3CCO
    c4c3cc(cc4)Cl)[O-]; c1ccc2c(c1)c[n+](cc2
    NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)[O-]; [O-]
    [n+]1cc(NC(=O)[CH]2CCOc3ccc(Cl)cc23)c4cc
    ccc4c1; [O-][n+]1cc(NC(=O)[C@@H]2CCOc3cc
    c(Cl)cc23)c4ccccc4c1    		 (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    33687 PWS
    ZINC000001400831    		 8 C7 H7 F3 N2 O S InChI=1S/C7H7F3N2OS/c1-12
    -5(13)3-4(7(8,9)10)11-6(1
    2)14-2/h3H,1-2H3;
    PBQNVDKEOYJSNU-UHFFFAOYSA-N    		 CN1C(=O)C=C(N=C1SC)C(F)(F)F; N=1C(C(F)(F
    )F)=CC(=O)N(C)C=1SC; CSC1=NC(=CC(=O)N1C)
    C(F)(F)F    		 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
    33688 PWT 2 C13 H16 N2 O4 InChI=1S/C13H16N2O4/c16-8
    -4-3-7-12(17)15-14-9-10-5
    -1-2-6-11(10)13(18)19/h1-
    2,5-6,8,14H,3-4,7,9H2,(H,
    15,17)(H,18,19);
    WAEOIFKXEDZIQC-UHFFFAOYSA-N    		 c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O; OC(=O)
    c1ccccc1CNNC(=O)CCCC=O    		 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid
    33689 PWU
    ZINC000203654395    		 2 C26 H27 N7 O2 InChI=1S/C26H27N7O2/c1-16
    (2)35-26(34)33-22(20-13-2
    9-31(4)15-20)10-19-12-28-
    25(11-23(19)33)30-21-8-6-
    18(7-9-21)24-14-27-17(3)3
    2(24)5/h6-16H,1-5H3,(H,28
    ,30);
    QKSPDHVBPRPUFS-UHFFFAOYSA-N    		 Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)O
    C(C)C)c5cnn(c5)C)cn3; CC(C)OC(=O)n1c2cc(
    Nc3ccc(cc3)c4cnc(C)n4C)ncc2cc1c5cnn(C)c5    		 ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE
    33690 PWV
    CHEMBL4297610
    DB16267    		 2 C18 H15 Cl N4 O2 InChI=1S/C18H15ClN4O2/c1-
    10(21-16-6-4-13(9-20)23(2
    )18(16)25)14-8-11-7-12(19
    )3-5-15(11)22-17(14)24/h3
    -8,10,21H,1-2H3,(H,22,24)
    /t10-/m0/s1;
    NEQYWYXGTJDAKR-JTQLQIEISA-N    		 CC(C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O
    )C)C#N; C[CH](NC1=CC=C(C#N)N(C)C1=O)C2=C
    c3cc(Cl)ccc3NC2=O; C[C@@H](C1=Cc2cc(ccc2
    NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N; O=C1C(=C
    c2c(N1)ccc(c2)Cl)C(NC=3C(N(C(=CC=3)C#N)C
    )=O)C; C[C@H](NC1=CC=C(C#N)N(C)C1=O)C2=C
    c3cc(Cl)ccc3NC2=O    		 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
    33691 PWW 1 C13 H14 N2 O4 InChI=1S/C13H14N2O4/c16-8
    -2-1-3-12(17)15-14-9-10-4
    -6-11(7-5-10)13(18)19/h4-
    9H,1-3H2,(H,15,17)(H,18,1
    9)/b14-9+;
    UZWVZLUSNSIXTA-NTEUORMPSA-N    		 c1cc(ccc1C=NNC(=O)CCCC=O)C(=O)O; OC(=O)c
    1ccc(cc1)C=NNC(=O)CCCC=O; c1cc(ccc1/C=N/
    NC(=O)CCCC=O)C(=O)O; OC(=O)c1ccc(cc1)/C=
    N/NC(=O)CCCC=O    		 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
    33692 PWX
    CHEMBL5197731
    ZINC000036899015    		 1 C8 H8 Cl N3 InChI=1S/C8H8ClN3/c1-12-7
    -5(9)3-2-4-6(7)11-8(12)10
    /h2-4H,1H3,(H2,10,11);
    SXLPXHZFEJYXBB-UHFFFAOYSA-N    		 Cn1c2c(cccc2Cl)nc1N; Clc1cccc2nc(N)n(C)c
    12; Cn1c(N)nc2cccc(Cl)c12    		 7-chloro-1-methyl-1H-benzimidazol-2-amine
    33693 PWY
    CHEMBL1105
    ZINC000002014886    		 3 C13 H12 O3 InChI=1S/C13H12O3/c1-16-1
    2-5-4-10-6-9(7-13(14)15)2
    -3-11(10)8-12/h2-6,8H,7H2
    ,1H3,(H,14,15);
    PHJFLPMVEFKEPL-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)CC(=O)O; COc1ccc2cc(CC
    (O)=O)ccc2c1; c1cc(CC(=O)O)cc2c1cc(cc2)O
    C    		 (6-methoxynaphthalen-2-yl)acetic acid
    33694 PWZ
    ZINC000064857962    		 2 C21 H34 O4 InChI=1S/C21H34O4/c1-2-3-
    6-9-17(22)12-13-18-16-14-
    20(25-15-16)19(18)10-7-4-
    5-8-11-21(23)24/h4,7,12-1
    3,16-20,22H,2-3,5-6,8-11,
    14-15H2,1H3,(H,23,24)/b7-
    4+,13-12+/t16-,17+,18+,19
    -,20-/m1/s1;
    DJKDIKIDYDXHDD-JVCJGEKZSA-N    		 CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CO[C@H](C2
    )[C@@H]1C\C=C\CCCC(O)=O; CCCCC[C@@H](/C=
    C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(
    =O)O)OC2)O; CCCCC[CH](O)C=C[CH]1[CH]2CO[
    CH](C2)[CH]1CC=CCCCC(O)=O; O=C(O)CCC/C=C
    /CC2C1OCC(C1)C2/C=C/C(O)CCCCC; CCCCCC(C=
    CC1C2CC(C1CC=CCCCC(=O)O)OC2)O    		 (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid
    33695 PX0 1 C39 H53 Cl N2 O11 InChI=1S/C39H53ClN2O11/c1
    -24-15-14-16-30(50-6)39(4
    8)23-29(51-37(47)41-39)25
    (2)36-38(3,53-36)31(52-34
    (46)18-13-11-9-7-8-10-12-
    17-33(44)45)22-32(43)42(4
    )27-20-26(19-24)21-28(49-
    5)35(27)40/h12,14-17,20-2
    1,25,29-31,36,48H,7-11,13
    ,18-19,22-23H2,1-6H3,(H,4
    1,47)(H,44,45)/b16-14+,17
    -12-,24-15+/t25-,29-,30-,
    31+,36+,38+,39+/m1/s1;
    JELCYAFKJPYLGA-UKDIEPIHSA-N    		 C[C@@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3
    cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@
    H]1O4)C)OC(=O)CCCCCCC/C=C\C(=O)O)C)\C)OC
    )(NC(=O)O2)O; CC1C2CC(C(C=CC=C(Cc3cc(c(c
    (c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)CCCC
    CCCC=CC(=O)O)C)C)OC)(NC(=O)O2)O; CO[CH]1
    C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C
    H](OC(=O)CCCCCCCC=CC(O)=O)[C]3(C)O[CH]3[
    CH](C)[CH]4C[C]1(O)NC(=O)O4; CO[C@@H]1\C
    =C\C=C(/C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[
    C@H](OC(=O)CCCCCCC\C=C/C(O)=O)[C@]3(C)O[
    C@H]3[C@H](C)[C@H]4C[C@@]1(O)NC(=O)O4    		 (~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid
    33696 PX1 0 C16 H13 N3 O6 InChI=1S/C16H13N3O6/c1-4-
    7(17)3-6(15(21)22)10-13(4
    )25-14-5(2)12(20)9(18)8(1
    6(23)24)11(14)19-10/h3,18
    ,23-24H,17H2,1-2H3,(H,21,
    22)/b18-9-;
    LOBCIKZSYRQAOC-NVMNQCDNSA-N    		 Cc1c(N)cc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=N)
    C3=C(O)O)Oc12; Cc1c(cc(c2c1OC3=C(C(=O)C(
    =N)C(=C(O)O)C3=N2)C)C(=O)O)N; [H]/N=C\1/
    C(=C(O)O)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N
    )C(=O)O; O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2
    C)c(c(cc3C=O)N)C)=C\O    		 (1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
    33697 PX2 0 C27 H52 O8 P InChI=1S/C27H53O8P/c1-3-5
    -7-9-11-13-15-17-19-21-26
    (28)33-23-25(24-34-36(30,
    31)32)35-27(29)22-20-18-1
    6-14-12-10-8-6-4-2/h25H,3
    -24H2,1-2H3,(H2,30,31,32)
    /p-1/t25-/m1/s1;
    OKLASJZQBDJAPH-RUZDIDTESA-M    		 CCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O
    )CCCCCCCCCCC; CCCCCCCCCCCC(=O)OC[C@H](CO
    [P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC; CCCC
    CCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(
    =O)CCCCCCCCCCC; O=P([O-])(O)OCC(OC(=O)CC
    CCCCCCCCC)COC(=O)CCCCCCCCCCC; CCCCCCCCCC
    CC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCC
    CCCCCCC    		 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE
    33698 PX3
    ZINC000095921328    		 4 C28 H28 N2 O6 InChI=1S/C28H28N2O6/c1-3-
    14-30(17-21-10-13-24-26(3
    6-18-35-24)25(21)28(32)33
    )16-20-6-4-5-7-23(20)27(3
    1)29-15-19-8-11-22(34-2)1
    2-9-19/h3-13H,1,14-18H2,2
    H3,(H,29,31)(H,32,33);
    WRLIFDLBMCTVHJ-UHFFFAOYSA-N    		 COc1ccc(CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4OC
    Oc4c3C(O)=O)cc1; O=C(NCc1ccc(OC)cc1)c2cc
    ccc2CN(C/C=C)Cc3ccc4OCOc4c3C(=O)O; COc1c
    cc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c
    3C(=O)O)OCO4    		 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
    33699 PX4
    CHEMBL1235508
    ZINC000024782119    		 0 C36 H73 N O8 P InChI=1S/C36H72NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-35(38)42-32-34(33-
    44-46(40,41)43-31-30-37(3
    ,4)5)45-36(39)29-27-25-23
    -21-19-17-15-13-11-9-7-2/
    h34H,6-33H2,1-5H3/p+1/t34
    -/m1/s1;
    CITHEXJVPOWHKC-UUWRZZSWSA-O    		 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC; CCCCC
    CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](
    C)(C)C)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCC
    CC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C
    )C)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=
    O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC
    CCCCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCC)
    COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC    		 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
    33700 PX5
    CHEMBL151831
    ZINC000000009111    		 4 C13 H9 N O2 S InChI=1S/C13H9NO2S/c15-9-
    5-7-13(16,8-6-9)12-14-10-
    3-1-2-4-11(10)17-12/h1-8,
    16H;
    SDYBYKXWYDVVKP-UHFFFAOYSA-N    		 c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O; O=C3
    C=CC(O)(c1nc2ccccc2s1)C=C3; OC1(C=CC(=O)
    C=C1)c2sc3ccccc3n2    		 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one;
    4-(benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dienone
    33701 PX6 2 C35 H68 O8 P InChI=1S/C35H69O8P/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-34(36)41-31-33(
    32-42-44(38,39)40)43-35(3
    7)30-28-26-24-22-20-18-16
    -14-12-10-8-6-4-2/h33H,3-
    32H2,1-2H3,(H2,38,39,40)/
    p-1/t33-/m1/s1;
    PORPENFLTBBHSG-MGBGTMOVSA-M    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(
    O)[O-])OC(=O)CCCCCCCCCCCCCCC; O=P([O-])(
    O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](
    CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCC
    CCCCCCC    		 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
    33702 PX7
    CHEMBL4521083
    ZINC000015443491    		 4 C8 H8 N2 O3 S InChI=1S/C8H8N2O3S/c1-10-
    6-4-2-3-5-7(6)14(12,13)9-
    8(10)11/h2-5H,1H3,(H,9,11
    );
    RQCMUVKZNMGOOY-UHFFFAOYSA-N    		 CN1C(=O)N[S](=O)(=O)c2ccccc12; N2S(c1ccc
    cc1N(C2=O)C)(=O)=O; CN1c2ccccc2S(=O)(=O)
    NC1=O    		 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
    33703 PX8 0 C39 H76 O8 P InChI=1S/C39H77O8P/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-38(40)45-
    35-37(36-46-48(42,43)44)4
    7-39(41)34-32-30-28-26-24
    -22-20-18-16-14-12-10-8-6
    -4-2/h37H,3-36H2,1-2H3,(H
    2,42,43,44)/p-1/t37-/m1/s
    1;
    YFWHNAWEOZTIPI-DIPNUNPCSA-M    		 O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)
    COC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCC
    CCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[C@H
    ](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]
    (O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-]
    )=O)OC(=O)CCCCCCCCCCCCCCCCC    		 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE
    33704 PX9
    CHEMBL1198
    DB09345
    ZINC000019594594    		 6 C17 H27 N O3 InChI=1S/C17H27NO3/c1-2-3
    -12-20-16-5-7-17(8-6-16)2
    1-13-4-9-18-10-14-19-15-1
    1-18/h5-8H,2-4,9-15H2,1H3;
    DQKXQSGTHWVTAD-UHFFFAOYSA-N    		 CCCCOc1ccc(OCCCN2CCOCC2)cc1; CCCCOc1ccc(
    cc1)OCCCN2CCOCC2; O(c2ccc(OCCCN1CCOCC1)c
    c2)CCCC    		 Pramocaine
    33705 PXA
    ZINC000033430555    		 0 C15 H11 N3 O6 InChI=1S/C15H11N3O6/c1-4-
    3-17-10(15(22)23)9-12(4)2
    4-13-5(2)11(19)7(16)6(14(
    20)21)8(13)18-9/h3H,16H2,
    1-2H3,(H,20,21)(H,22,23);
    HKYXOCMZOYRJAU-UHFFFAOYSA-N    		 Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)
    N)C)C(=O)O; Cc1cnc(C(O)=O)c2N=C3C(=C(C)C
    (=O)C(=C3C(O)=O)N)Oc12; O=CC=2C1=Nc3c(nc
    c(c3OC1=C(C(=O)C=2N)C)C)C=O    		 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE;
    (8-AZA)PHENOXAZINE
    33706 PXB
    CHEMBL1206690
    DB08439
    ZINC000005761797    		 1 C19 H18 N2 O4 S InChI=1S/C19H18N2O4S/c1-3
    -17(22)21-26(23,24)16-11-
    9-14(10-12-16)18-13(2)25-
    20-19(18)15-7-5-4-6-8-15/
    h4-12H,3H2,1-2H3,(H,21,22
    );
    TZRHLKRLEZJVIJ-UHFFFAOYSA-N    		 O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)c
    c3)CC; CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(on
    c2c3ccccc3)C; CCC(=O)N[S](=O)(=O)c1ccc(c
    c1)c2c(C)onc2c3ccccc3    		 parecoxib;
    N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide
    33707 PXC
    CHEMBL1235512
    ZINC000004102350    		 2 C14 H8 N2 O4 InChI=1S/C14H8N2O4/c17-13
    (18)7-3-1-5-9-11(7)16-10-
    6-2-4-8(14(19)20)12(10)15
    -9/h1-6H,(H,17,18)(H,19,2
    0);
    MJALVONLCNWZHK-UHFFFAOYSA-N    		 c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O;
    OC(=O)c1cccc2nc3c(cccc3C(O)=O)nc12    		 phenazine-1,6-dicarboxylic acid
    33708 PXD
    CHEMBL1895913
    ZINC000013827750    		 10 C16 H14 F5 N5 O5 S InChI=1S/C16H14F5N5O5S/c1
    -29-10-6-22-15(30-2)26-13
    (10)23-14(24-26)25-32(27,
    28)12-8(16(19,20)21)4-3-5
    -9(12)31-7-11(17)18/h3-6,
    11H,7H2,1-2H3,(H,24,25);
    SYJGKVOENHZYMQ-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3
    c(OC)cnc(OC)n3n2; COc1cnc(n2c1nc(n2)NS(=
    O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC; COc1
    cnc(OC)n2nc(N[S](=O)(=O)c3c(OCC(F)F)cccc
    3C(F)(F)F)nc12    		 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide;
    Penoxsulam
    33709 PXE
    ZINC000100459574    		 1 C10 H13 N O2 InChI=1S/C10H13NO2/c1-6(2
    )8-5-9(11-13)7(3)4-10(8)1
    2/h4-6,13H,1-3H3/b11-9+;
    LFDOSYRMCCGDBT-PKNBQFBNSA-N    		 CC1=CC(=O)C(=CC1=NO)C(C)C; CC(C)C1=C\C(=
    N/O)C(=CC1=O)C; O=C1C=C(\C(=N\O)C=C1C(C)
    C)C; CC(C)C1=CC(=NO)C(=CC1=O)C    		 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime;
    (E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone
    33710 PXF
    ZINC000033430664    		 0 C16 H11 F N2 O6 InChI=1S/C16H11FN2O6/c1-4
    -3-6(17)7(15(21)22)10-13(
    4)25-14-5(2)12(20)9(18)8(
    16(23)24)11(14)19-10/h3H,
    18H2,1-2H3,(H,21,22)(H,23
    ,24);
    ICZZEXATIFONSA-UHFFFAOYSA-N    		 Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O
    )N)C)C(=O)O)F; C1(C=O)=C(N)C(=O)C(=C2Oc3
    c(cc(F)c(C=O)c3N=C12)C)C; Cc1cc(F)c(C(O)
    =O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12    		 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE;
    8-FLUORO-PHENOXAZINE
    33711 PXG 35 C15 H17 N2 O7 P InChI=1S/C15H17N2O7P/c1-9
    -14(18)13(11(6-16-9)8-24-
    25(21,22)23)7-17-12-4-2-3
    -10(5-12)15(19)20/h2-6,17
    -18H,7-8H2,1H3,(H,19,20)(
    H2,21,22,23);
    WSOQXCGRIUHULI-UHFFFAOYSA-N    		 O=C(O)c1cc(ccc1)NCc2c(cnc(c2O)C)COP(=O)(
    O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c
    2)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CNc2c
    ccc(c2)C(O)=O)c1O    		 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID
    33712 PXH 1 C15 H21 N O4 S2 InChI=1S/C15H21NO4S2/c1-1
    5(2)12(14(19)20)16-13(22-
    15)10(8-17)11(18)6-5-9-4-
    3-7-21-9/h3-4,7-8,10-13,1
    6,18H,5-6H2,1-2H3,(H,19,2
    0)/t10-,11-,12+,13-/m1/s1;
    RTEPAFLPRWPVOF-FVCCEPFGSA-N    		 CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CC
    c2cccs2)O)C(=O)O)C; CC1(C)S[C@@H](N[C@H]
    1C(O)=O)[C@H](C=O)[C@H](O)CCc2sccc2; CC1
    (C)S[CH](N[CH]1C(O)=O)[CH](C=O)[CH](O)CC
    c2sccc2; CC1(C(NC(S1)C(C=O)C(CCc2cccs2)O
    )C(=O)O)C    		 (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid
    33713 PXI
    ZINC000016051863    		 10 C25 H43 N O6 InChI=1S/C25H43NO6/c1-9-2
    1-14(2)10-11-20(27)15(3)1
    2-16(4)23(18(6)24(29)31-2
    1)32-25-22(28)19(26(7)8)1
    3-17(5)30-25/h10-11,14-19
    ,21-23,25,28H,9,12-13H2,1
    -8H3/b11-10+/t14-,15+,16+
    ,17+,18-,19-,21-,22+,23+,
    25-/m1/s1;
    DZGHWPQKGWXOHD-OYZFACIPSA-N    		 CC[CH]1OC(=O)[CH](C)[CH](O[CH]2O[CH](C)C
    [CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=
    C[CH]1C; O=C2OC(CC)C(C=CC(=O)C(C)CC(C(OC
    1OC(CC(N(C)C)C1O)C)C2C)C)C; CCC1C(C=CC(=
    O)C(CC(C(C(C(=O)O1)C)OC2C(C(CC(O2)C)N(C)
    C)O)C)C)C; CC[C@H]1OC(=O)[C@H](C)[C@@H](
    O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[
    C@@H](C)C[C@H](C)C(=O)\C=C\[C@H]1C; CC[C
    @@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@
    H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](
    C[C@@H](O2)C)N(C)C)O)C)C)C    		 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
    33714 PXJ
    CHEMBL5285407    		 1 C20 H24 N2 O6 InChI=1S/C20H24N2O6/c23-1
    5-9-5-7-13(17(15)25)19(27
    )21-11-3-1-2-4-12-22-20(2
    8)14-8-6-10-16(24)18(14)2
    6/h5-10,23-26H,1-4,11-12H
    2,(H,21,27)(H,22,28);
    JWUBPLNIABBTRS-UHFFFAOYSA-N    		 Oc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(O)c2O)c
    1O; c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2
    cccc(c2O)O    		 N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)
    33715 PXK
    ZINC000144336186    		 2 C12 H14 N2 S InChI=1S/C12H14N2S/c1-12(
    2,3)6-4-5-9-7-13-11-10(9)
    15-8-14-11/h7-8,13H,5H2,1
    -3H3;
    JBYBLGDRQOCKRZ-UHFFFAOYSA-N    		 CC(C)(C)C#CCc1c[nH]c2c1scn2; CC(C)(C)C#C
    Cc1c[nH]c2ncsc12    		 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole
    33716 PXL
    CHEMBL102970
    DB00147
    ZINC000000120249    		 24 C8 H9 N O3 InChI=1S/C8H9NO3/c1-5-8(1
    2)7(4-11)6(3-10)2-9-5/h2,
    4,10,12H,3H2,1H3;
    RADKZDMFGJYCBB-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)CO)C=O)O; O=Cc1c(cnc(c1O)C)
    CO; Cc1ncc(CO)c(C=O)c1O    		 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE;
    PYRIDOXAL
    33717 PXM
    CHEMBL593019
    DB11673
    ZINC000034926229    		 7 C8 H12 N2 O2 InChI=1S/C8H12N2O2/c1-5-8
    (12)7(2-9)6(4-11)3-10-5/h
    3,11-12H,2,4,9H2,1H3;
    NHZMQXZHNVQTQA-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)CO)CN)O; Oc1c(c(cnc1C)CO)CN
    ; Cc1ncc(CO)c(CN)c1O    		 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL;
    PYRIDOXAMINE
    33718 PXN 11 C17 H36 O8 InChI=1S/C17H36O8/c1-13(1
    8)5-22-9-17(10-23-6-14(2)
    19,11-24-7-15(3)20)12-25-
    8-16(4)21/h13-16,18-21H,5
    -12H2,1-4H3/t13-,14-,15-,
    16+/m1/s1;
    GXEZGLLPFFKHGE-FPCVCCKLSA-N    		 C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O
    )COC[C@H](C)O)O; C[C@@H](O)COC[C@](COC[C
    @H](C)O)(COC[C@@H](C)O)COC[C@@H](C)O; CC
    (COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O; O(C
    C(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C; C[
    CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)CO
    C[CH](C)O    		 (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol;
    PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)
    33719 PXO
    ZINC000100162432    		 4 C3 H7 N O InChI=1S/C3H7NO/c1-2-3-4-
    5/h3,5H,2H2,1H3/b4-3-;
    IFDZZSXEPSSHNC-ARJAWSKDSA-N    		 CC\C=N/O; N(/O)=C/CC; CCC=NO (1Z)-propanal oxime;
    (Z)-propionaldoxime
    33720 PXP
    DB02209
    ZINC000001532705    		 16 C8 H12 N O6 P InChI=1S/C8H12NO6P/c1-5-8
    (11)7(3-10)6(2-9-5)4-15-1
    6(12,13)14/h2,10-11H,3-4H
    2,1H3,(H2,12,13,14);
    WHOMFKWHIQZTHY-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CO)c1O; O=P(O)(O)
    OCc1cnc(c(O)c1CO)C; Cc1c(c(c(cn1)COP(=O)
    (O)O)CO)O    		 PYRIDOXINE-5'-PHOSPHATE
    33721 PXQ 20 C33 H42 N4 O6 InChI=1S/C33H42N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h13,19-20,34-35H,7-12,
    14-15H2,1-6H3,(H,36,43)(H
    ,38,39)(H,40,41)/b26-13-/
    t19-,20-/m1/s1;
    RIXXCMVADHNPLY-UKJJQICTSA-N    		 CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c
    (C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CC
    C(O)=O)c2C; CC[C@@H]1[C@@H](C)C(=O)N=C1C
    c2[nH]c(Cc3[nH]c(\C=C4/NC(=O)C(=C4C)CC)c
    (C)c3CCC(O)=O)c(CCC(O)=O)c2C; CCC1C(C(=O
    )N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C
    (=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
    ; CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2
    )Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C
    )C)CCC(=O)O)CCC(=O)O)C)C    		 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    33722 PXR 1 C22 H27 N O2 InChI=1S/C22H27NO2/c1-23-
    15-18-11-13-21(14-12-18)2
    4-17-20-9-5-6-10-22(20)25
    -16-19-7-3-2-4-8-19/h2-4,
    6-8,10-11,13,23H,5,9,12,1
    4-17H2,1H3;
    JMIJSVWEMHQQSV-UHFFFAOYSA-N    		 CNCC1=CC=C(CC1)OCC2=C(OCc3ccccc3)C=CCC2;
    CNCC1=CC=C(CC1)OCC2=C(C=CCC2)OCc3ccccc3    		 N-methyl-1-[4-[(2-phenylmethoxycyclohexa-1,3-dien-1-yl)methoxy]cyclohexa-1,3-dien-1-yl]methanamine
    33723 PXS 1 C35 H68 O4 InChI=1S/C35H68O4/c1-4-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-34(36)38-32-33(
    3)39-35(37)31-29-27-25-23
    -21-19-17-15-13-11-9-7-5-
    2/h33H,4-32H2,1-3H3/t33-/
    m0/s1;
    UWTZRBLIYNMYTC-XIFFEERXSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](C)O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC; O=C(OC
    (C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
    C    		 (2S)-propane-1,2-diyl dihexadecanoate
    33724 PXT
    CHEMBL1235520
    ZINC000263621103    		 2 C47 H68 O14 InChI=1S/C47H68O14/c1-26-
    10-11-32-34(22-37(54-32)4
    7(52)39(49)28(3)14-20-53-
    47)55-41(51)29(4)31-9-8-1
    5-45(56-31)17-12-33(57-45
    )40(50)44(7)24-30(48)38(6
    0-44)35-25-43(6)18-19-46(
    58-35,61-43)36-13-16-42(5
    ,59-36)23-27(2)21-26/h10-
    11,21,27,29,31-38,40,49-5
    0,52H,8-9,12-20,22-25H2,1
    -7H3/b11-10+,26-21+/t27-,
    29+,31-,32+,33-,34+,35+,3
    6+,37-,38-,40-,42+,43-,44
    +,45+,46-,47+/m0/s1;
    UUHLZWPSPOPYFR-LTNDQFMQSA-N    		 C[C@@H]\1C[C@@]2(C)CC[C@@H](O2)[C@@]34CC
    [C@@](C)(C[C@@H](O3)[C@H]5O[C@](C)(CC5=O
    )[C@@H](O)[C@@H]6CC[C@@]7(CCC[C@H](O7)[C
    @@H](C)C(=O)O[C@@H]8C[C@H](O[C@@H]8/C=C/
    C(=C\1)/C)[C@@]9(O)OCCC(=C9O)C)O6)O4; C[
    C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O
    3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C
    @@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O
    [C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@
    ]9(C(=C(CCO9)C)O)O)C)O)C)C)C; C[CH]1C[C]
    2(C)CC[CH](O2)[C]34CC[C](C)(C[CH](O3)[CH
    ]5O[C](C)(CC5=O)[CH](O)[CH]6CC[C]7(CCC[C
    H](O7)[CH](C)C(=O)O[CH]8C[CH](O[CH]8C=CC
    (=C1)C)[C]9(O)OCCC(=C9O)C)O6)O4; CC1CC2(
    CCC(O2)C34CCC(O3)(CC(O4)C5C(=O)CC(O5)(C(
    C6CCC7(O6)CCCC(O7)C(C(=O)OC8CC(OC8C=CC(=
    C1)C)C9(C(=C(CCO9)C)O)O)C)O)C)C)C; O=C6O
    C2C(OC(C1(O)OCCC(=C1O)C)C2)C=CC(=CC(C)CC
    3(OC(CC3)C49OC(CC(O4)C5OC(C)(CC5=O)C(O)C
    8OC7(OC(C6C)CCC7)CC8)(C)CC9)C)C    		 PECTENOTOXIN-2
    33725 PXU
    ZINC000075524014    		 0 C5 H9 N O3 InChI=1S/C5H9NO3/c7-4(8)5
    (9)2-1-3-6-5/h6,9H,1-3H2,
    (H,7,8)/t5-/m1/s1;
    JNKCXIWJIVUIMN-RXMQYKEDSA-N    		 C1C[C@](NC1)(C(=O)O)O; OC(=O)[C]1(O)CCCN
    1; O=C(O)C1(O)NCCC1; C1CC(NC1)(C(=O)O)O;
    OC(=O)[C@]1(O)CCCN1    		 2-hydroxy-L-proline
    33726 PXV 3 C16 H25 N O3 InChI=1S/C16H25NO3/c1-20-
    15-10-8-14(9-11-15)16(19)
    17-12-6-4-2-3-5-7-13-18/h
    8-11,18H,2-7,12-13H2,1H3,
    (H,17,19);
    NQLXMEWCEUVFAX-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)NCCCCCCCCO; C(CO)CCCCCC
    NC(c1ccc(cc1)OC)=O    		 N-(8-hydroxyoctyl)-4-methoxybenzamide
    33727 PXW 1 C24 H24 Cl N4 O S InChI=1S/C24H23ClN4OS/c25
    -19-11-15(14-2-1-3-16(10-
    14)24(13-26)8-9-24)4-6-18
    (19)22(30)28-20-12-17-5-7
    -21(20)29(17)23(27)31/h1-
    4,6,10-11,17,20-21H,5,7-9
    ,12H2,(H3,27,28,30,31)/p+
    1/t17-,20+,21+/m0/s1;
    QYJCMFNKFUMQPQ-IOMROCGXSA-O    		 c1cc(cc(c1)C2(CC2)C#N)c3ccc(c(c3)Cl)C(=O
    )NC4CC5CCC4[N+]5=C(N)S; S/C(N)=[N+]1\C2C
    C(NC(=O)c3ccc(cc3Cl)c3cccc(c3)C3(C#N)CC3
    )C1CC2; c1cc(cc(c1)C2(CC2)C#N)c3ccc(c(c3
    )Cl)C(=O)N[C@@H]4C[C@@H]5CC[C@H]4[N+]5=C
    (N)S; NC(S)=[N+]1[CH]2CC[CH]1[CH](C2)NC(
    =O)c3ccc(cc3Cl)c4cccc(c4)C5(CC5)C#N; N\C
    (S)=[N+]/1[C@H]2CC[C@@H]/1[C@@H](C2)NC(=
    O)c3ccc(cc3Cl)c4cccc(c4)C5(CC5)C#N    		 (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium
    33728 PXX
    DB08440
    ZINC000053683165    		 44 C14 H11 N3 O InChI=1S/C14H11N3O/c1-9(1
    8)17-12-8-10-4-2-6-15-13(
    10)14-11(12)5-3-7-16-14/h
    2-8H,1H3,(H,17,18);
    AAJXINSCZMZERD-UHFFFAOYSA-N    		 CC(=O)Nc1cc2cccnc2c3c1cccn3; CC(=O)Nc1cc
    2cccnc2c3ncccc13; O=C(Nc2cc1cccnc1c3nccc
    c23)C    		 N-1,10-phenanthrolin-5-ylacetamide
    33729 PXY
    CHEMBL31561
    ZINC000000968254    		 4 C8 H10 InChI=1S/C8H10/c1-7-3-5-8
    (2)6-4-7/h3-6H,1-2H3;
    URLKBWYHVLBVBO-UHFFFAOYSA-N    		 Cc1ccc(cc1)C; Cc1ccc(C)cc1; c1cc(ccc1C)C PARA-XYLENE
    33730 PXZ
    ZINC000033430665    		 0 C16 H12 N2 O6 InChI=1S/C16H12N2O6/c1-5-
    3-4-7(15(20)21)10-13(5)24
    -14-6(2)12(19)9(17)8(16(2
    2)23)11(14)18-10/h3-4H,17
    H2,1-2H3,(H,20,21)(H,22,2
    3);
    KXRMREPJUITWDU-UHFFFAOYSA-N    		 Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O
    )=O)N)Oc12; Cc1ccc(c2c1OC3=C(C(=O)C(=C(C
    3=N2)C(=O)O)N)C)C(=O)O; O=CC=2C1=Nc3c(OC
    1=C(C(=O)C=2N)C)c(ccc3C=O)C    		 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE;
    PHENOXAZINE
    33731 PY0 10 C3 H8 N O3 InChI=1S/C3H8NO3/c1-2(5)3
    (4,6)7/h2,5-6H,4H2,1H3/q-
    1/t2-,3+/m0/s1;
    ISJWJWXATCJUBY-STHAYSLISA-N    		 CC(C(N)(O)[O-])O; C[CH](O)[C](N)(O)[O-];
    C[C@@H]([C@@](N)(O)[O-])O; [O-]C(O)(N)C
    (O)C; C[C@H](O)[C@@](N)(O)[O-]    		 (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
    33732 PY1
    CHEMBL261454
    DB03921
    ZINC000015894680    		 1 C17 H12 N4 InChI=1S/C17H12N4/c1-2-6-
    15-13(5-1)12(8-10-19-15)1
    4-11-20-21-17(14)16-7-3-4
    -9-18-16/h1-11H,(H,20,21);
    IBCXZJCWDGCXQT-UHFFFAOYSA-N    		 [nH]1cc(c2ccnc3ccccc23)c(n1)c4ccccn4; c1
    ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4; n3cc
    c(c1c(nnc1)c2ncccc2)c4ccccc34    		 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE
    33733 PY2 0 C6 H7 N S InChI=1S/C6H7NS/c8-5-6-2-
    1-3-7-4-6/h1-4,8H,5H2;
    MBXKCLHOVPXMCJ-UHFFFAOYSA-N    		 c1cc(cnc1)CS; SCc1cccnc1 3-(MERCAPTOMETHYLENE)PYRIDINE
    33734 PY3
    CHEMBL372240
    ZINC000024715631    		 1 C34 H40 N10 O4 InChI=1S/C34H40N10O4/c1-5
    -20(4)42-32(46)24-12-23(1
    3-25(35)14-24)28-17-40-31
    (41-19(2)3)34(48)44(28)18
    -29(45)39-16-22-7-6-21(30
    (36)37)15-27(22)33(47)43-
    26-8-10-38-11-9-26/h6-15,
    17,19-20H,5,16,18,35H2,1-
    4H3,(H3,36,37)(H,39,45)(H
    ,40,41)(H,42,46)(H,38,43,
    47)/t20-/m1/s1;
    HLQIVSDFLBJBKY-HXUWFJFHSA-N    		 CCC(C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2
    CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)N
    C(C)C; CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=
    CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccn
    cc4)C(=N)N)NC(C)C; CC[C@@H](C)NC(=O)c1cc
    (N)cc(c1)C2=CN=C(NC(C)C)C(=O)N2CC(=O)NCc
    3ccc(cc3C(=O)Nc4ccncc4)C(N)=N; O=C(Nc1cc
    ncc1)c2cc(C(=[N@H])N)ccc2CNC(=O)CN3C(=CN
    =C(NC(C)C)C3=O)c4cc(N)cc(C(=O)NC(C)CC)c4
    ; CC[CH](C)NC(=O)c1cc(N)cc(c1)C2=CN=C(NC
    (C)C)C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccn
    cc4)C(N)=N    		 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE
    33735 PY4
    ZINC000002047163    		 2 C12 H19 N2 O7 P InChI=1S/C12H19N2O7P/c1-3
    -10(12(16)17)14-5-9-8(6-2
    1-22(18,19)20)4-13-7(2)11
    (9)15/h4,10,14-15H,3,5-6H
    2,1-2H3,(H,16,17)(H2,18,1
    9,20)/t10-/m1/s1;
    VRMPGTOTVVJQMU-SNVBAGLBSA-N    		 CC[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)CC; CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)CO
    P(=O)(O)O; CC[CH](NCc1c(O)c(C)ncc1CO[P](
    O)(O)=O)C(O)=O; CCC(C(=O)O)NCc1c(cnc(c1O
    )C)COP(=O)(O)O    		 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID;
    VITAMIN B6 COMPLEXED WITH 2-AMINO-BUTYRIC ACID
    33736 PY5
    DB03662
    ZINC000002047162    		 4 C13 H21 N2 O7 P InChI=1S/C13H21N2O7P/c1-3
    -4-11(13(17)18)15-6-10-9(
    7-22-23(19,20)21)5-14-8(2
    )12(10)16/h5,11,15-16H,3-
    4,6-7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/t11-/m0/s1;
    YYAMSLLSQINIQO-NSHDSACASA-N    		 CCC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(
    O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)
    O)CCC; CCCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=
    O)(O)O; CCC[C@H](NCc1c(O)c(C)ncc1CO[P](O
    )(O)=O)C(O)=O; CCC[C@@H](C(=O)O)NCc1c(cn
    c(c1O)C)COP(=O)(O)O    		 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID;
    VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID
    33737 PY6
    DB02981
    ZINC000002047161    		 2 C14 H23 N2 O7 P InChI=1S/C14H23N2O7P/c1-3
    -4-5-12(14(18)19)16-7-11-
    10(8-23-24(20,21)22)6-15-
    9(2)13(11)17/h6,12,16-17H
    ,3-5,7-8H2,1-2H3,(H,18,19
    )(H2,20,21,22)/t12-/m0/s1;
    NHVFCSUYJRWFNW-LBPRGKRZSA-N    		 CCCC[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)CCCC; CCCC[C@@H](C(=O)O)NCc1c(cnc(c1
    O)C)COP(=O)(O)O; CCCCC(C(=O)O)NCc1c(cnc(
    c1O)C)COP(=O)(O)O; CCCC[CH](NCc1c(O)c(C)
    ncc1CO[P](O)(O)=O)C(O)=O    		 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID;
    VITAMIN B6 COMPLEXED WITH 2-AMINO-HEXANOIC ACID
    33738 PY7
    CHEMBL1235528
    ZINC000000158595    		 1 C6 H7 N O InChI=1S/C6H7NO/c8-5-6-1-
    3-7-4-2-6/h1-4,8H,5H2;
    PTMBWNZJOQBTBK-UHFFFAOYSA-N    		 OCc1ccncc1; c1cnccc1CO PYRIDIN-4-YLMETHANOL;
    4-PYRIDYLCARBINOL
    33739 PY8
    CHEMBL1235529
    DB08441
    ZINC000003942821    		 1 C13 H14 Br N5 O2 S InChI=1S/C13H14BrN5O2S/c1
    4-11-8-16-13-18-9-3-1-4-1
    0(7-9)22(20,21)17-6-2-5-1
    5-12(11)19-13/h1,3-4,7-8,
    17H,2,5-6H2,(H2,15,16,18,
    19);
    AWSQADBSXFTFKL-UHFFFAOYSA-N    		 c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)B
    r; Brc1c3nc(nc1)Nc2cccc(c2)S(=O)(=O)NCCC
    N3; Brc1cnc2Nc3cccc(c3)[S](=O)(=O)NCCCNc
    1n2    		 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE;
    1(5)-BROMO-4-THIA-2,5,9-TRIAZA-1(2,4)-PYRIMIDINA-3(1,3)-BENZENACYLCLANONAPHANE-4,4-DIOXIDE
    33740 PY9
    CHEMBL470365
    DB08442    		 2 C18 H19 N O3 InChI=1S/C18H19NO3/c1-12-
    5-2-3-6-14(12)16-7-4-10-1
    9(16)18(22)15-9-8-13(20)1
    1-17(15)21/h2-3,5-6,8-9,1
    1,16,20-21H,4,7,10H2,1H3/
    t16-/m1/s1;
    TWODFUZHWYZBHZ-MRXNPFEDSA-N    		 Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O; O
    =C(c1ccc(O)cc1O)N3CCCC3c2c(cccc2)C; Cc1c
    cccc1C2CCCN2C(=O)c3ccc(cc3O)O; Cc1ccccc1
    [CH]2CCCN2C(=O)c3ccc(O)cc3O; Cc1ccccc1[C
    @H]2CCCN2C(=O)c3ccc(O)cc3O    		 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
    33741 PYA
    DB01659
    ZINC000006548293    		 0 C15 H13 N3 O2 InChI=1S/C15H13N3O2/c16-1
    2(15(19)20)8-11-6-5-10-4-
    3-9-2-1-7-17-13(9)14(10)1
    8-11/h1-7,12H,8,16H2,(H,1
    9,20)/t12-/m0/s1;
    LODBCIBKOKOGNL-LBPRGKRZSA-N    		 c1cc2ccc3ccc(nc3c2nc1)CC(C(=O)O)N; O=C(O
    )C(N)Cc3nc2c(ccc1cccnc12)cc3; N[CH](Cc1c
    cc2ccc3cccnc3c2n1)C(O)=O; N[C@@H](Cc1ccc
    2ccc3cccnc3c2n1)C(O)=O; c1cc2ccc3ccc(nc3
    c2nc1)C[C@@H](C(=O)O)N    		 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE
    33742 PYB
    ZINC000033430670    		 0 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-8-3-
    4(7)2-5(8)6(9)10/h2-3H,7H
    2,1H3,(H,9,10);
    MUEOQEUSJMFYHV-UHFFFAOYSA-N    		 O=C(O)c1cc(N)cn1C; Cn1cc(N)cc1C(O)=O; Cn
    1cc(cc1C(=O)O)N    		 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID
    33743 PYC 24 C5 H4 N O2 InChI=1S/C5H5NO2/c7-5(8)4
    -2-1-3-6-4/h1-3,6H,(H,7,8
    )/p-1;
    WRHZVMBBRYBTKZ-UHFFFAOYSA-M    		 [O-]C(=O)c1[nH]ccc1; [O-]C(=O)c1cccn1; c
    1cc([nH]c1)C(=O)[O-]    		 PYRROLE-2-CARBOXYLATE
    33744 PYD
    CHEMBL1235533
    DB02372
    ZINC000003591110    		 10 C6 H9 N3 InChI=1S/C6H9N3/c1-4-3-8-
    5(2)9-6(4)7/h3H,1-2H3,(H2
    ,7,8,9);
    UXKNAXNFIYFMIB-UHFFFAOYSA-N    		 Cc1cnc(nc1N)C; n1c(N)c(cnc1C)C; Cc1ncc(C
    )c(N)n1    		 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE
    33745 PYE
    DB02412
    ZINC000001692451    		 1 C5 H10 O InChI=1S/C5H10O/c1-2-4-6-
    5-3-1/h1-5H2;
    DHXVGJBLRPWPCS-UHFFFAOYSA-N    		 C1CCOCC1; O1CCCCC1 TETRAHYDROPYRAN
    33746 PYF
    CHEMBL1235535
    DB04145
    ZINC000000001799    		 2 C6 H7 N O InChI=1S/C6H7NO/c8-5-6-2-
    1-3-7-4-6/h1-4,8H,5H2;
    MVQVNTPHUGQQHK-UHFFFAOYSA-N    		 OCc1cccnc1; c1cc(cnc1)CO 3-PYRIDINYLCARBINOL;
    PYRIDIN-3-YLMETHANOL
    33747 PYG
    CHEMBL307145
    ZINC000000330141    		 23 C6 H6 O3 InChI=1S/C6H6O3/c7-4-2-1-
    3-5(8)6(4)9/h1-3,7-9H;
    WQGWDDDVZFFDIG-UHFFFAOYSA-N    		 c1cc(c(c(c1)O)O)O; Oc1cccc(O)c1O BENZENE-1,2,3-TRIOL;
    PYROGALLOL
    33748 PYH 0 C12 H21 N3 O3 InChI=1S/C12H21N3O3/c1-8-
    5-7-14-10(8)11(16)15-6-3-
    2-4-9(13)12(17)18/h7-10H,
    2-6,13H2,1H3,(H,15,16)(H,
    17,18)/t8-,9+,10-/m1/s1;
    ZFOMKMMPBOQKMC-KXUCPTDWSA-N    		 O=C(NCCCCC(C(=O)O)N)C1N=CCC1C; CC1CC=NC1
    C(=O)NCCCCC(C(=O)O)N; C[CH]1CC=N[CH]1C(=
    O)NCCCC[CH](N)C(O)=O; C[C@@H]1CC=N[C@H]1
    C(=O)NCCCC[C@@H](C(=O)O)N; C[C@@H]1CC=N[
    C@H]1C(=O)NCCCC[C@H](N)C(O)=O    		 N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-2H-PYRROL-2-YL]CARBONYL}-L-LYSINE;
    PYRROLYSINE
    33749 PYI
    DB04768
    ZINC000012504503    		 4 C14 H21 N4 O7 P2 InChI=1S/C14H20N4O7P2/c1-
    10-12(5-7-24-27(22,23)25-
    26(19,20)21)4-3-6-18(10)9
    -13-8-16-11(2)17-14(13)15
    /h3-4,6,8H,5,7,9H2,1-2H3,
    (H4-,15,16,17,19,20,21,22
    ,23)/p+1;
    ZHKSTKOYQKNDSJ-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2cccc(CCO[P@](O)(=O)O[P](O)(
    O)=O)c2C)c(N)n1; Cc1ncc(C[n+]2cccc(CCO[P
    ](O)(=O)O[P](O)(O)=O)c2C)c(N)n1; Cc1c(cc
    c[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)
    O; O=P(O)(O)OP(=O)(O)OCCc1ccc[n+](c1C)Cc
    2cnc(nc2N)C; Cc1c(ccc[n+]1Cc2cnc(nc2N)C)
    CCO[P@@](=O)(O)OP(=O)(O)O    		 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM;
    PYRITHIAMIN PYROPHOSPHATE
    33750 PYJ
    CHEMBL371561
    ZINC000000968270    		 12 C8 H10 InChI=1S/C8H10/c1-2-8-6-4
    -3-5-7-8/h3-7H,2H2,1H3;
    YNQLUTRBYVCPMQ-UHFFFAOYSA-N    		 c1ccccc1CC; CCc1ccccc1 PHENYLETHANE
    33751 PYL 3 C12 H21 N3 O3 InChI=1S/C12H21N3O3/c1-8-
    5-7-14-10(8)11(16)15-6-3-
    2-4-9(13)12(17)18/h7-10H,
    2-6,13H2,1H3,(H,15,16)(H,
    17,18)/t8-,9+,10-/m1/s1;
    ZFOMKMMPBOQKMC-KXUCPTDWSA-N    		 O=C(NCCCCC(C(=O)O)N)C1N=CCC1C; CC1CC=NC1
    C(=O)NCCCCC(C(=O)O)N; C[CH]1CC=N[CH]1C(=
    O)NCCCC[CH](N)C(O)=O; C[C@@H]1CC=N[C@H]1
    C(=O)NCCCC[C@@H](C(=O)O)N; C[C@@H]1CC=N[
    C@H]1C(=O)NCCCC[C@H](N)C(O)=O    		 PYRROLYSINE
    33752 PYM
    DB03578
    ZINC000001581119    		 2 C3 H5 N O2 InChI=1S/C3H5NO2/c1-2(5)3
    (4)6/h1H3,(H2,4,6);
    FPOLWERNILTNDK-UHFFFAOYSA-N    		 O=C(C(=O)N)C; CC(=O)C(N)=O; CC(=O)C(=O)N PYRUVAMIDE
    33753 PYN
    CHEMBL79900
    ZINC000013527892    		 0 C27 H33 N5 O2 InChI=1S/C27H33N5O2/c33-2
    6(9-15-31-11-1-2-12-31)28
    -22-7-5-20-17-21-6-8-23(1
    9-25(21)30-24(20)18-22)29
    -27(34)10-16-32-13-3-4-14
    -32/h5-8,17-19H,1-4,9-16H
    2,(H,28,33)(H,29,34);
    WQSTTZVZUNIDBE-UHFFFAOYSA-N    		 c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)N
    C(=O)CCN5CCCC5; O=C(Nc4cc3nc2cc(NC(=O)CC
    N1CCCC1)ccc2cc3cc4)CCN5CCCC5; O=C(CCN1CC
    CC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC5)cc4nc3
    c2    		 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE
    33754 PYO
    ZINC000016052085    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-6
    -5(4-18-20(15,16)17)19-8(
    7(6)13)11-3-1-2-10-9(11)1
    4/h1-3,5-8,12-13H,4H2,(H2
    ,15,16,17)/t5-,6-,7-,8-/m
    1/s1;
    LBWXMAFPEFFHIJ-WCTZXXKLSA-N    		 C1=CN(C(=O)N=C1)C2C(C(C(O2)COP(=O)(O)O)O
    )O; O=C1N=CC=CN1C2OC(C(O)C2O)COP(=O)(O)O
    ; C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH
    ](O[CH]1CO[P](O)(O)=O)N2C=CC=NC2=O; O[C@
    H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O
    )N2C=CC=NC2=O    		 1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2-ONE-5'-PHOSPHATE
    33755 PYP
    ZINC000058650253    		 0 C21 H19 O6 P InChI=1S/C21H19O6P/c22-17
    -10-18(27-19(17)11-26-28(
    23,24)25)15-8-6-14-5-4-12
    -2-1-3-13-7-9-16(15)21(14
    )20(12)13/h1-9,17-19,22H,
    10-11H2,(H2,23,24,25)/t17
    -,18+,19+/m0/s1;
    JJJZGYICTVDZQU-IPMKNSEASA-N    		 O=P(OCC5OC(c4c1c3c2c(cc1)cccc2ccc3cc4)CC
    5O)(O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)
    (O)=O)c2ccc3ccc4cccc5ccc2c3c45; c1cc2ccc
    3ccc(c4c3c2c(c1)cc4)C5CC(C(O5)COP(=O)(O)
    O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2c
    cc3ccc4cccc5ccc2c3c45; c1cc2ccc3ccc(c4c3
    c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O
    )(O)O)O    		 2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE
    33756 PYQ
    CHEMBL144366
    DB02756
    ZINC000000173360    		 5 C11 H11 N O InChI=1S/C11H11NO/c13-10-
    5-4-8-2-1-3-9-6-7-12(10)1
    1(8)9/h1-3H,4-7H2;
    XRJLAOUDSILTFT-UHFFFAOYSA-N    		 O=C1CCc2cccc3CCN1c23; c1cc2c3c(c1)CCN3C(
    =O)CC2; O=C3N2c1c(cccc1CC2)CC3    		 PYROQUILON;
    1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE
    33757 PYR
    CHEMBL1162144
    DB00119
    ZINC000001532517    		 549 C3 H4 O3 InChI=1S/C3H4O3/c1-2(4)3(
    5)6/h1H3,(H,5,6);
    LCTONWCANYUPML-UHFFFAOYSA-N    		 CC(=O)C(O)=O; CC(=O)C(=O)O; O=C(C(=O)O)C PYRUVIC ACID
    33758 PYS
    CHEMBL1235541
    DB03329
    ZINC000000403023    		 6 C5 H5 N S InChI=1S/C5H5NS/c7-5-3-1-
    2-4-6-5/h1-4H,(H,6,7);
    WHMDPDGBKYUEMW-UHFFFAOYSA-N    		 c1ccnc(c1)S; Sc1ccccn1; Sc1ncccc1 2-PYRIDINETHIOL
    33759 PYT
    DB02002
    ZINC000100031476    		 0 C3 H6 N2 O InChI=1S/C3H6N2O/c1-2(4)3
    (5)6/h1,4H2,(H2,5,6);
    IUMRWGYGZHKZKF-UHFFFAOYSA-N    		 NC(=C)C(N)=O; O=C(C(=C)\N)N; C=C(C(=O)N)
    N    		 2-AMINOPROP-2-ENAMIDE
    33760 PYU
    CHEMBL513225
    DB08443
    ZINC000096006136    		 2 C11 H9 N O4 InChI=1S/C11H9NO4/c13-7-5
    -8(14)10(9(15)6-7)11(16)1
    2-3-1-2-4-12/h1-6,13-15H;
    RYGSNHBTZDYVSS-UHFFFAOYSA-N    		 Oc1cc(O)c(c(O)c1)C(=O)n2cccc2; O=C(c1c(O
    )cc(O)cc1O)n2cccc2; c1ccn(c1)C(=O)c2c(cc
    (cc2O)O)O    		 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
    33761 PYV
    CHEMBL1235543
    ZINC000000864555    		 30 C16 H13 Br N2 O2 S InChI=1S/C16H13BrN2O2S/c1
    7-15-8-9-16(14-7-2-1-6-13
    (14)15)22(20,21)19-11-12-
    5-3-4-10-18-12/h1-10,19H,
    11H2;
    GJSDYQXOSHKOGX-UHFFFAOYSA-N    		 Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3;
    c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3
    ; Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn
    3    		 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide;
    Pyrabactin
    33762 PYW
    CHEMBL2323585
    ZINC000059727542    		 9 C27 H32 N4 O8 InChI=1S/C27H32N4O8/c1-5-
    14(2)23-27(37)38-16(4)20(
    31-25(35)21-19(32)9-7-11-
    29-21)24(34)30-18(12-17-8
    -6-10-28-13-17)22(33)15(3
    )26(36)39-23/h6-11,13,15-
    16,18,20,22,32-33H,5,12H2
    ,1-4H3,(H,30,34)(H,31,35)
    /b23-14-/t15-,16-,18+,20+
    ,22+/m1/s1;
    WHIKSLGSXKIHCA-IGCCMALHSA-N    		 CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O
    )Cc2cccnc2)NC(=O)c3c(cccn3)O)C)C; CCC(\C
    )=C1/OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccn
    c2)NC(=O)[C@@H](NC(=O)c3ncccc3O)[C@@H](C
    )OC1=O; O=C1OC(C(C(=O)NC(C(O)C(C(=O)O/C1
    =C(/C)CC)C)Cc2cccnc2)NC(=O)c3ncccc3O)C;
    CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H
    ]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=
    O)c3c(cccn3)O)C)/C; CCC(C)=C1OC(=O)[CH](
    C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O
    )c3ncccc3O)[CH](C)OC1=O    		 Pyridomycin
    33763 PYX
    ZINC000033432453    		 0 C11 H17 N3 O3 S2 InChI=1S/C11H17N3O3S2/c1-
    6-10(15)8(2-12)7(3-14-6)4
    -18-19-5-9(13)11(16)17/h3
    ,9,15H,2,4-5,12-13H2,1H3,
    (H,16,17)/t9-/m0/s1;
    GNMYVMXAEUCEOO-VIFPVBQESA-N    		 Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O; O=C(O)
    C(N)CSSCc1cnc(c(O)c1CN)C; Cc1c(c(c(cn1)C
    SSC[C@@H](C(=O)O)N)CN)O; Cc1ncc(CSSC[C@H
    ](N)C(O)=O)c(CN)c1O; Cc1ncc(CSSC[CH](N)C
    (O)=O)c(CN)c1O    		 S-[S-THIOPYRIDOXAMINYL]CYSTEINE
    33764 PYY
    ZINC000058638770    		 0 C11 H15 O7 P InChI=1S/C11H15O7P/c12-9-
    8(6-17-19(14,15)16)18-11(
    10(9)13)7-4-2-1-3-5-7/h1-
    5,8-13H,6H2,(H2,14,15,16)
    /t8-,9-,10-,11+/m1/s1;
    UQFRVRKERMOLHL-DBIOUOCHSA-N    		 c1ccc(cc1)C2C(C(C(O2)COP(=O)(O)O)O)O; O=
    P(OCC2OC(c1ccccc1)C(O)C2O)(O)O; c1ccc(cc
    1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O
    )O)O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)
    (O)=O)c2ccccc2; O[C@H]1[C@@H](O)[C@@H](O
    [C@@H]1CO[P](O)(O)=O)c2ccccc2    		 D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE
    33765 PYZ
    DB02721
    ZINC000002046962    		 37 C3 H3 I N2 InChI=1S/C3H3IN2/c4-3-1-5
    -6-2-3/h1-2H,(H,5,6);
    LLNQWPTUJJYTTE-UHFFFAOYSA-N    		 Ic1cnnc1; c1c(cn[nH]1)I; Ic1c[nH]nc1 4-IODOPYRAZOLE
    33766 PZ0 1 C22 H22 Cl N O2 InChI=1S/C22H22ClNO2/c1-2
    4-14-17-7-10-21(11-8-17)2
    5-16-19-13-20(23)9-12-22(
    19)26-15-18-5-3-2-4-6-18/
    h2-13,24H,14-16H2,1H3;
    KKMPHNRWOFIHIE-UHFFFAOYSA-N    		 CNCc1ccc(OCc2cc(Cl)ccc2OCc3ccccc3)cc1; C
    NCc1ccc(cc1)OCc2cc(ccc2OCc3ccccc3)Cl    		 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine
    33767 PZ1 2 C34 H41 N3 O6 InChI=1S/C34H41N3O6/c1-40
    -33-9-3-2-7-27(33)24-41-1
    9-6-20-42-30-14-11-28(12-
    15-30)37-29(22-35-23-34(3
    7)39)25-43-31-13-10-26-8-
    4-16-36(17-5-18-38)32(26)
    21-31/h2-4,7-16,21,29,32,
    35,38H,5-6,17-20,22-25H2,
    1H3/t29-,32?/m1/s1;
    BSWXEYZBVSQHOV-UYEDPJPISA-N    		 COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=
    O)COC4=CC5C(=CC=CN5CCCO)C=C4; COc1ccccc1
    COCCCOc2ccc(cc2)N3C(CNCC3=O)COC4=CC5C(=C
    C=CN5CCCO)C=C4; O=C5N(c2ccc(OCCCOCc1cccc
    c1OC)cc2)C(COC=4C=CC3=CC=CN(CCCO)C3C=4)C
    NC5; COc1ccccc1COCCCOc2ccc(cc2)N3[CH](CN
    CC3=O)COC4=C[CH]5N(CCCO)C=CC=C5C=C4; COc
    1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)C
    OC4=C[C@H]5N(CCCO)C=CC=C5C=C4    		 (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE
    33768 PZ2
    CHEMBL459170
    DB08444
    ZINC000040864726    		 1 C20 H14 Br N5 O InChI=1S/C20H14BrN5O/c1-1
    2-6-14(11-22)8-15(7-12)27
    -19-3-2-13(9-17(19)21)10-
    18-16-4-5-23-25-20(16)26-
    24-18/h2-9H,10H2,1H3,(H,2
    4,25,26);
    YYGZQXRLQMFHDH-UHFFFAOYSA-N    		 Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]
    n3)C#N; N#Cc4cc(Oc1ccc(cc1Br)Cc3nnc2nncc
    c23)cc(c4)C; Cc1cc(Oc2ccc(Cc3n[nH]c4nncc
    c34)cc2Br)cc(c1)C#N    		 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile
    33769 PZ3
    CHEMBL1738867
    ZINC000095548737    		 1 C41 H39 N5 O7 S InChI=1S/C41H39N5O7S/c1-4
    4-28-42-23-34(44)26-45-25
    -33(20-29-8-11-36(12-9-29
    )53-41(48)43-22-30-6-4-3-
    5-7-30)46(54(49,50)38-16-
    13-35(51-2)14-17-38)24-32
    -21-31(10-18-39(32)45)40-
    19-15-37(27-47)52-40/h3-1
    9,21,23,27-28,33H,20,22,2
    4-26H2,1-2H3,(H,43,48)/t3
    3-/m1/s1;
    GAZNDTRYZUUOKB-MGBGTMOVSA-N    		 COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[C
    @H]2Cc4ccc(OC(=O)NCc5ccccc5)cc4)Cc6cncn6
    C)c7oc(C=O)cc7; COc1ccc(cc1)[S](=O)(=O)N
    2Cc3cc(ccc3N(C[CH]2Cc4ccc(OC(=O)NCc5cccc
    c5)cc4)Cc6cncn6C)c7oc(C=O)cc7; O=Cc7oc(c
    1cc4c(cc1)N(Cc2cncn2C)CC(N(S(=O)(=O)c3cc
    c(OC)cc3)C4)Cc6ccc(OC(=O)NCc5ccccc5)cc6)
    cc7; Cn1cncc1CN2CC(N(Cc3c2ccc(c3)c4ccc(o
    4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O
    C(=O)NCc7ccccc7; Cn1cncc1CN2C[C@H]([N@@]
    (Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc
    (cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7    		 4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
    33770 PZ4 2 C11 H9 F N6 InChI=1S/C11H9FN6/c1-13-1
    1-8(12)4-16-10(18-11)7-3-
    15-9-6(7)2-14-5-17-9/h2-5
    H,1H3,(H,13,16,18)(H,14,1
    5,17);
    VCAWVIOIVGOEIB-UHFFFAOYSA-N    		 CNc1nc(ncc1F)c2c[nH]c3ncncc23; CNc1c(cnc
    (n1)c2c[nH]c3c2cncn3)F; CNc3nc(c2cnc1c2c
    ncn1)ncc3F    		 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine
    33771 PZ5
    ZINC000263621177    		 1 C26 H26 N3 InChI=1S/C26H25N3/c1-2-3-
    4-5-9-16-29-25-18-21(28)1
    3-15-23(25)22-14-12-20(27
    )17-24(22)26(29)19-10-7-6
    -8-11-19/h1,6-8,10-15,17-
    18,28H,3-5,9,16,27H2/p+1;
    WJXZOVZRCNSPKF-UHFFFAOYSA-O    		 Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4cccc
    c4)c2c1; C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3
    c1c4ccccc4)N)N    		 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
    33772 PZ6 1 C20 H18 Cl N3 O2 InChI=1S/C20H18ClN3O2/c21
    -14-5-6-18-16(9-14)20(12-
    22,7-8-26-18)19(25)24-17-
    11-23-10-13-3-1-2-4-15(13
    )17/h1-6,9-11H,7-8,12,22H
    2,(H,24,25)/t20-/m1/s1;
    ILSGMAUMNXSNQB-HXUWFJFHSA-N    		 c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)C
    l)CN; Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc
    2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@]3(CC
    Oc4c3cc(cc4)Cl)CN; NC[C]1(CCOc2ccc(Cl)cc
    12)C(=O)Nc3cncc4ccccc34; NC[C@@]1(CCOc2c
    cc(Cl)cc12)C(=O)Nc3cncc4ccccc34    		 (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    33773 PZ7 2 C28 H36 F3 N8 O14 P2 InChI=1S/C28H35F3N8O14P2/
    c1-14(36(2)27(44)33-11-28
    (29,30)31)15-3-6-37(7-4-1
    5)25-21(42)19(40)16(51-25
    )9-49-54(45,46)53-55(47,4
    8)50-10-17-20(41)22(43)26
    (52-17)39-13-34-18-23-32-
    5-8-38(23)12-35-24(18)39/
    h3-8,12-14,16-17,19-22,25
    -26,40-43H,9-11H2,1-2H3,(
    H2-,33,44,45,46,47,48)/p+
    1/t14-,16+,17+,19+,20+,21
    +,22+,25+,26+/m0/s1;
    HWZJNOWKRSQFHS-SCQTVLMASA-O    		 C[CH](N(C)C(=O)NCC(F)(F)F)c1cc[n+](cc1)[
    CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3
    O[CH]([CH](O)[CH]3O)n4cnc5c6nccn6cnc45)[
    CH](O)[CH]2O; C[C@@H](c1cc[n+](cc1)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)
    (O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5
    c4ncn6c5ncc6)O)O)O)O)N(C)C(=O)NCC(F)(F)F
    ; C[C@H](N(C)C(=O)NCC(F)(F)F)c1cc[n+](cc
    1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c6n
    ccn6cnc45)[C@@H](O)[C@H]2O; CC(c1cc[n+](
    cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(
    C(C(O3)n4cnc5c4ncn6c5ncc6)O)O)O)O)N(C)C(
    =O)NCC(F)(F)F; FC(F)(F)CNC(=O)N(C)C(C)c1
    cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2O
    C(n3cnc4c3ncn3ccnc43)C(O)C2O)C(O)C1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    33774 PZ8
    CHEMBL4645532
    ZINC000019949328    		 1 C13 H12 Cl N O2 InChI=1S/C13H12ClNO2/c1-8
    -6-12(13(16)17)9(2)15(8)1
    1-5-3-4-10(14)7-11/h3-7H,
    1-2H3,(H,16,17);
    SNPBYQCWMKALIT-UHFFFAOYSA-N    		 Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2; Cc1cc(c
    (n1c2cccc(c2)Cl)C)C(=O)O    		 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
    33775 PZA
    CHEMBL614
    DB00339
    ZINC000000002005    		 12 C5 H5 N3 O InChI=1S/C5H5N3O/c6-5(9)4
    -3-7-1-2-8-4/h1-3H,(H2,6,
    9);
    IPEHBUMCGVEMRF-UHFFFAOYSA-N    		 c1cnc(cn1)C(=O)N; O=C(N)c1nccnc1; NC(=O)
    c1cnccn1    		 PYRAZINE-2-CARBOXAMIDE;
    Pyrazinamide
    33776 PZB
    ZINC000004693272    		 1 C15 H12 N2 O3 InChI=1S/C15H12N2O3/c18-1
    0-6-7-12(13(19)8-10)15-14
    (9-16-17-15)20-11-4-2-1-3
    -5-11/h1-9,18-19H,(H,16,1
    7);
    WUNNLMRNOJZGQB-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3; Oc3cc
    (O)c(c2nncc2Oc1ccccc1)cc3; c1ccc(cc1)Oc2
    c[nH]nc2c3ccc(cc3O)O    		 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
    33777 PZC 2 C27 H50 N6 O11 InChI=1S/C27H50N6O11/c1-1
    3(35)32-16-5-4-14(11-31-8
    -9-34)42-25(16)43-21-15(2
    9)10-17(33-24(39)18(36)6-
    7-28)22(19(21)37)44-26-20
    (38)23(30-3)27(2,40)12-41
    -26/h4,15-23,25-26,30-31,
    34,36-38,40H,5-12,28-29H2
    ,1-3H3,(H,32,35)(H,33,39)
    /t15-,16+,17+,18-,19-,20+
    ,21+,22-,23+,25+,26+,27-/
    m0/s1;
    PALSFHNAOHBRHX-ARRQPEMVSA-N    		 CC(=O)NC1CC=C(OC1OC2C(CC(C(C2O)OC3C(C(C(
    CO3)(C)O)NC)O)NC(=O)C(CCN)O)N)CNCCO; CN[
    CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)
    [CH](O[CH]3OC(=CC[CH]3NC(C)=O)CNCCO)[CH]
    (N)C[CH]2NC(=O)[CH](O)CCN; CNC1C(COC(C1O
    )OC3C(O)C(OC2C(CC=C(CNCCO)O2)NC(C)=O)C(N
    )CC3NC(=O)C(CCN)O)(C)O; CC(=O)N[C@@H]1CC
    =C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([
    C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C
    )O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO; CN[C@
    @H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@@H]2[
    C@@H](O)[C@H](O[C@H]3OC(=CC[C@H]3NC(C)=O
    )CNCCO)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CC
    N    		 (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide;
    acetylated-plazomicin
    33778 PZD
    ZINC000058638836    		 0 C24 H22 N2 O3 InChI=1S/C24H22N2O3/c1-28
    -22-11-20-21(12-23(22)29-
    2)25-13-19-10-18(14-26(19
    )24(20)27)17-8-7-15-5-3-4
    -6-16(15)9-17/h3-9,11-12,
    14,19,25H,10,13H2,1-2H3/t
    19-/m0/s1;
    QCHVNYAXOGUSSL-IBGZPJMESA-N    		 O=C2c1c(cc(OC)c(OC)c1)NCC5N2C=C(c4cc3ccc
    cc3cc4)C5; COc1cc2c(cc1OC)NCC3CC(=CN3C2=
    O)c4ccc5ccccc5c4; COc1cc2NC[CH]3CC(=CN3C
    (=O)c2cc1OC)c4ccc5ccccc5c4; COc1cc2NC[C@
    @H]3CC(=CN3C(=O)c2cc1OC)c4ccc5ccccc5c4;
    COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4cc
    c5ccccc5c4    		 (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
    33779 PZE
    CHEMBL1412
    DB00592
    ZINC000005850277    		 3 C4 H10 N2 InChI=1S/C4H10N2/c1-2-6-4
    -3-5-1/h5-6H,1-4H2;
    GLUUGHFHXGJENI-UHFFFAOYSA-N    		 C1CNCCN1; N1CCNCC1 piperazine
    33780 PZF
    CHEMBL237786
    DB08445
    ZINC000028823849    		 2 C20 H18 F3 N5 O InChI=1S/C20H18F3N5O/c1-2
    9-20-3-2-11(7-25-20)18-6-
    19(27-10-26-18)28-8-13(17
    (24)9-28)12-4-15(22)16(23
    )5-14(12)21/h2-7,10,13,17
    H,8-9,24H2,1H3/t13-,17+/m
    1/s1;
    IFKWHPAWYJARQJ-DYVFJYSZSA-N    		 COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3
    )N)c4cc(c(cc4F)F)F; COc1ccc(cn1)c2cc(ncn
    2)N3CC(C(C3)N)c4cc(c(cc4F)F)F; COc1ccc(c
    n1)c2cc(ncn2)N3C[C@H](N)[C@H](C3)c4cc(F)
    c(F)cc4F; Fc1cc(c(F)cc1F)C4CN(c3ncnc(c2c
    cc(OC)nc2)c3)CC4N; COc1ccc(cn1)c2cc(ncn2
    )N3C[CH](N)[CH](C3)c4cc(F)c(F)cc4F    		 (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE
    33781 PZG
    ZINC000584905660    		 0 C14 H18 N7 O7 P InChI=1S/C14H18N7O7P/c1-5
    -7(2-17-20-5)29(25,26)27-
    3-6-9(22)10(23)13(28-6)21
    -4-16-8-11(21)18-14(15)19
    -12(8)24/h2,4,6,9-10,13,2
    2-23H,3H2,1H3,(H,17,20)(H
    ,25,26)(H3,15,18,19,24)/t
    6-,9-,10-,13-/m1/s1;
    KSGRBDIXLOOOHG-ZRFIDHNTSA-N    		 Cc1n[nH]cc1[P](O)(=O)OC[C@H]2O[C@H]([C@H
    ](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N; Cc1c
    (c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C
    @@H](O2)n3cnc4c3N=C(NC4=O)N)O)O; Cc1n[nH
    ]cc1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O
    )n3cnc4C(=O)NC(=Nc34)N; Cc1c(c[nH]n1)P(=
    O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)
    O    		 [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid
    33782 PZH
    CHEMBL138621
    ZINC000000404752    		 4 C7 H8 Br N InChI=1S/C7H8BrN/c8-7-3-1
    -6(5-9)2-4-7/h1-4H,5,9H2;
    XRNVSPDQTPVECU-UHFFFAOYSA-N    		 Brc1ccc(cc1)CN; NCc1ccc(Br)cc1; c1cc(ccc
    1CN)Br    		 1-(4-BROMOPHENYL)METHANAMINE;
    4-BROMOBENZYLAMINE
    33783 PZI
    CHEMBL36715
    DB09210
    ZINC000003812874    		 17 C6 H10 N2 O2 InChI=1S/C6H10N2O2/c7-5(9
    )4-8-3-1-2-6(8)10/h1-4H2,
    (H2,7,9);
    GMZVRMREEHBGGF-UHFFFAOYSA-N    		 C1CC(=O)N(C1)CC(=O)N; NC(=O)CN1CCCC1=O 2-(2-oxopyrrolidin-1-yl)acetamide
    33784 PZJ
    CHEMBL4533934
    ZINC000032743327    		 7 C14 H19 Cl N2 O3 S InChI=1S/C14H19ClN2O3S/c1
    5-11-3-1-2-4-12(11)16-5-7
    -17(8-6-16)13-9-21(19,20)
    10-14(13)18/h1-4,13-14,18
    H,5-10H2/t13-,14-/m0/s1;
    CRYVRLLTCKZRFB-KBPBESRZSA-N    		 C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O
    ; O[CH]1C[S](=O)(=O)C[CH]1N2CCN(CC2)c3cc
    ccc3Cl; c1ccc(c(c1)N2CCN(CC2)C3CS(=O)(=O
    )CC3O)Cl; c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(
    =O)(=O)C[C@@H]3O)Cl; O[C@H]1C[S](=O)(=O)
    C[C@@H]1N2CCN(CC2)c3ccccc3Cl    		 (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
    33785 PZK 1 C15 H11 F N6 InChI=1S/C15H11FN6/c16-12
    -3-1-2-10(4-12)7-22-8-11(
    6-21-22)14-13(5-17)15(18)
    20-9-19-14/h1-4,6,8-9H,7H
    2,(H2,18,19,20);
    VYNWCICHANBKCE-UHFFFAOYSA-N    		 c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N;
    Nc1ncnc(c2cnn(Cc3cccc(F)c3)c2)c1C#N    		 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
    33786 PZL
    CHEMBL456649
    DB08446
    ZINC000033360191    		 1 C19 H10 Br Cl F N5 O InChI=1S/C19H10BrClFN5O/c
    20-15-2-1-11(7-16-14-3-4-
    24-26-19(14)27-25-16)17(2
    2)18(15)28-13-6-10(9-23)5
    -12(21)8-13/h1-6,8H,7H2,(
    H,25,26,27);
    OHQMEDBYNUAVNE-UHFFFAOYSA-N    		 Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc4cc(Cl
    )cc(c4)C#N; N#Cc4cc(Oc1c(Br)ccc(c1F)Cc3n
    nc2nnccc23)cc(Cl)c4; c1cc(c(c(c1Cc2c3ccn
    nc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br    		 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
    33787 PZM
    CHEMBL12720
    ZINC000000157596    		 4 C8 H11 N O InChI=1S/C8H11NO/c1-10-8-
    4-2-7(6-9)3-5-8/h2-5H,6,9
    H2,1H3;
    IDPURXSQCKYKIJ-UHFFFAOYSA-N    		 COc1ccc(cc1)CN; O(c1ccc(cc1)CN)C; COc1cc
    c(CN)cc1    		 1-(4-METHOXYPHENYL)METHANAMINE;
    P-METHOXYBENZYLAMINE
    33788 PZN 4 C28 H44 N7 O6 InChI=1S/C28H45N7O6/c1-8-
    10-11-12-13-34(7)16-22(36
    )19(14-24(37)38)30-26(39)
    21(9-2)35-17-23(28(4,5)6)
    31-25(27(35)40)29-15-20-1
    8(3)32-41-33-20/h17,19,21
    H,8-16H2,1-7H3,(H,29,31)(
    H,30,39)(H,37,38)/p-1/t19
    -,21-/m0/s1;
    XIMITGPWYYFUQF-FPOVZHCZSA-M    		 CCCCCCN(C)CC(=O)C(CC(=O)[O-])NC(=O)C(CC)
    N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C; CC
    CCCCN(C)CC(=O)[CH](CC([O-])=O)NC(=O)[CH]
    (CC)N1C=C(N=C(NCc2nonc2C)C1=O)C(C)(C)C;
    [O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C
    (=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC; CC
    CCCCN(C)CC(=O)[C@H](CC([O-])=O)NC(=O)[C@
    H](CC)N1C=C(N=C(NCc2nonc2C)C1=O)C(C)(C)C
    ; CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC
    (=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C
    )C(C)(C)C    		 3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION
    33789 PZO
    CHEMBL15967
    DB02757
    ZINC000000895257    		 13 C3 H4 N2 InChI=1S/C3H4N2/c1-2-4-5-
    3-1/h1-3H,(H,4,5);
    WTKZEGDFNFYCGP-UHFFFAOYSA-N    		 n1cccn1; [nH]1cccn1; c1c[nH]nc1 PYRAZOLE
    33790 PZP 1 C8 H11 N2 O5 P InChI=1S/C8H11N2O5P/c1-5-
    8(11)7(2-9)6(3-10-5)4-15-
    16(12,13)14/h2-3,9,11H,4H
    2,1H3,(H2,12,13,14)/b9-2+;
    CLOXDHRIVOURLQ-XNWCZRBMSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=N)O; O=P(O)(O
    )OCc1cnc(c(O)c1C=[N@H])C; Cc1ncc(CO[P](O
    )(O)=O)c(C=N)c1O; [H]/N=C/c1c(cnc(c1O)C)
    COP(=O)(O)O    		 [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate;
    pyridoximine-5'-phosphate
    33791 PZQ
    CHEMBL1235551
    DB11749
    ZINC000000000655    		 1 C19 H24 N2 O2 InChI=1S/C19H24N2O2/c22-1
    8-13-20(19(23)15-7-2-1-3-
    8-15)12-17-16-9-5-4-6-14(
    16)10-11-21(17)18/h4-6,9,
    15,17H,1-3,7-8,10-13H2/t1
    7-/m0/s1;
    FSVJFNAIGNNGKK-KRWDZBQOSA-N    		 O=C1CN(C[C@@H]2N1CCc3ccccc23)C(=O)C4CCCC
    C4; O=C1CN(C[CH]2N1CCc3ccccc23)C(=O)C4CC
    CCC4; c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O
    )C4CCCCC4; c1ccc2c(c1)CCN3C2CN(CC3=O)C(=
    O)C4CCCCC4; O=C4N2CCc1c(cccc1)C2CN(C(=O)
    C3CCCCC3)C4    		 PRAZIQUANTEL
    33792 PZR
    ZINC000058041726    		 0 C6 H5 N3 InChI=1S/C6H5N3/c1-2-7-3-
    5-4-8-9-6(1)5/h1-4H,(H,8,
    9);
    WCXFPLXZZSWROM-UHFFFAOYSA-N    		 [nH]1ncc2cnccc12; n1ccc2c(c1)cnn2; c1cnc
    c2c1[nH]nc2    		 1H-pyrazolo[4,3-c]pyridine
    33793 PZS
    ZINC000584905664    		 1 C22 H25 N O6 InChI=1S/C22H25NO6/c1-4-5
    -6-10-13-16-14(2)17(24)21
    (29-16)19(26)22(28-3,23-2
    0(21)27)18(25)15-11-8-7-9
    -12-15/h7-13,19,26H,4-6H2
    ,1-3H3,(H,23,27)/b13-10+/
    t19-,21-,22-/m1/s1;
    WDHGEYIVJHPIOB-HVQJOPHCSA-N    		 CCCCC=CC1=C(C)C(=O)[C]2(O1)[CH](O)[C](NC
    2=O)(OC)C(=O)c3ccccc3; CCCC/C=C/C1=C(C(=
    O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3cc
    ccc3)OC)O)C; CCCC\C=C\C1=C(C)C(=O)[C@@]2
    (O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)c3ccccc
    3; CCCCC=CC1=C(C(=O)C2(O1)C(C(NC2=O)(C(=
    O)c3ccccc3)OC)O)C    		 (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
    33794 PZU 0 C6 H12 O4 InChI=1S/C6H12O4/c1-3-4(7
    )2-5(8)6(9)10-3/h3-9H,2H2
    ,1H3/t3-,4+,5-,6+/m1/s1;
    KYPWIZMAJMNPMJ-MOJAZDJTSA-N    		 CC1C(CC(C(O1)O)O)O; C[C@H]1O[C@H](O)[C@H
    ](O)C[C@@H]1O; C[CH]1O[CH](O)[CH](O)C[CH
    ]1O; OC1C(OC(O)C(O)C1)C; C[C@@H]1[C@H](C
    [C@H]([C@H](O1)O)O)O    		 alpha-D-Paratopyranose;
    alpha-D-Paratose;
    3,6-dideoxy-alpha-D-ribo-hexopyranose;
    3,6-dideoxy-alpha-D-glucopyranose;
    3,6-dideoxy-alpha-D-allopyranose;
    3-deoxy-alpha-D-quinovopyranose;
    D-Paratose;
    Paratose
    33795 PZV
    CHEMBL4470644
    ZINC000058290514    		 8 C16 H15 F N2 O3 S InChI=1S/C16H15FN2O3S/c1-
    18-23(21,22)12-6-7-15-11(
    10-12)8-9-19(15)16(20)13-
    4-2-3-5-14(13)17/h2-7,10,
    18H,8-9H2,1H3;
    MLAUXXOCJYXBIG-UHFFFAOYSA-N    		 c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c
    23; CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3c
    cccc3F; CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c
    3ccccc3F    		 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
    33796 PZW
    CHEMBL3356470
    ZINC000098209327    		 2 C15 H19 N5 O2 InChI=1S/C15H19N5O2/c1-8-
    3-13-12(4-11(8)17-10-5-16
    -6-10)20-9(2)15(21)19-18-
    14(20)7-22-13/h3-4,9-10,1
    6-17H,5-7H2,1-2H3,(H,19,2
    1)/t9-/m1/s1;
    YWULJUISHNTGOC-SECBINFHSA-N    		 C[CH]1N2C(=NNC1=O)COc3cc(C)c(NC4CNC4)cc2
    3; Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)
    C; Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C
    4CO2)C; C[C@H]1N2C(=NNC1=O)COc3cc(C)c(NC
    4CNC4)cc23; O=C4NN=C1N(c3c(OC1)cc(c(NC2C
    NC2)c3)C)C4C    		 (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one
    33797 PZX
    ZINC000048764436    		 1 C11 H11 N3 O2 InChI=1S/C11H11N3O2/c1-8-
    5-10(14-13-8)11(15)16-7-9
    -3-2-4-12-6-9/h2-6H,7H2,1
    H3,(H,13,14);
    VPQUTEUTVVBFOS-UHFFFAOYSA-N    		 Cc1cc(n[nH]1)C(=O)OCc2cccnc2; Cc1[nH]nc(
    c1)C(=O)OCc2cccnc2; O=C(OCc1cccnc1)c2nnc
    (c2)C    		 pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate
    33798 PZY
    CHEMBL4576854    		 3 C30 H37 N3 O4 S2 InChI=1S/C30H37N3O4S2/c1-
    30(2,3)25-11-9-24(10-12-2
    5)22-32-16-18-33(19-17-32
    )39(36,37)31-28-14-13-26(
    21-27(28)29(34)35)38-20-1
    5-23-7-5-4-6-8-23/h4-14,2
    1,31H,15-20,22H2,1-3H3,(H
    ,34,35);
    WIWNZUYJVZDDEH-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc
    3ccc(cc3C(=O)O)SCCc4ccccc4; CC(C)(C)c1cc
    c(CN2CCN(CC2)[S](=O)(=O)Nc3ccc(SCCc4cccc
    c4)cc3C(O)=O)cc1; N(c1ccc(cc1C(O)=O)SCCc
    2ccccc2)S(N4CCN(Cc3ccc(cc3)C(C)(C)C)CC4)
    (=O)=O    		 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
    33799 PZZ
    DB08447
    ZINC000016052442    		 3 C14 H20 N2 O InChI=1S/C14H20N2O/c1-16(
    2)10-12-9-15-14-11(6-4-8-
    17)5-3-7-13(12)14/h3,5,7,
    9,15,17H,4,6,8,10H2,1-2H3;
    KKQDXWHOFSMCSA-UHFFFAOYSA-N    		 CN(C)Cc1c[nH]c2c1cccc2CCCO; CN(C)Cc1c[nH
    ]c2c(CCCO)cccc12; OCCCc1cccc2c1ncc2CN(C)
    C    		 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL
    33800 Q00
    ZINC000098209328    		 0 C19 H24 N2 O2 InChI=1S/C19H24N2O2/c20-1
    7(13-15-7-3-1-4-8-15)11-1
    2-21-18(19(22)23)14-16-9-
    5-2-6-10-16/h1-10,17-18,2
    1H,11-14,20H2,(H,22,23)/t
    17-,18+/m1/s1;
    SVTKCQQHQNLSOX-MSOLQXFVSA-N    		 c1ccc(cc1)CC(CCNC(Cc2ccccc2)C(=O)O)N; N[
    CH](CCN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2;
    c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(
    =O)O)N; N[C@H](CCN[C@@H](Cc1ccccc1)C(O)=
    O)Cc2ccccc2; O=C(O)C(NCCC(N)Cc1ccccc1)Cc
    2ccccc2    		 N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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