Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    30001 MYO 1 C5 H5 N3 O4 InChI=1S/C5H5N3O4/c6-1-2(
    4(9)10)7-8-3(1)5(11)12/h6
    H2,(H,7,8)(H,9,10)(H,11,1
    2);
    IGUCGPRNZVGVNO-UHFFFAOYSA-N    		 c1(c([nH]nc1C(=O)O)C(=O)O)N; Nc1c([nH]nc
    1C(O)=O)C(O)=O    		 4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid
    30002 MYP
    DB02243    		 2 C31 H42 N4 O5 S InChI=1S/C31H42N4O5S/c1-2
    -9-26(16-23-41(38,39)28-1
    2-7-4-8-13-28)32-30(36)29
    (24-25-10-5-3-6-11-25)33-
    31(37)35-17-14-27(15-18-3
    5)34-19-21-40-22-20-34/h3
    -8,10-13,16,23,26-27,29H,
    2,9,14-15,17-22,24H2,1H3,
    (H,32,36)(H,33,37)/t26-,2
    9-/m0/s1;
    OFBHNKJTHNHXQT-WNJJXGMVSA-N    		 CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@
    H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4; C
    CCC(C=CS(=O)(=O)c1ccccc1)NC(=O)C(Cc2cccc
    c2)NC(=O)N3CCC(CC3)N4CCOCC4; O=S(=O)(c1c
    cccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC
    2)CC3)Cc4ccccc4)CCC; CCC[CH](NC(=O)[CH](
    Cc1ccccc1)NC(=O)N2CC[CH](CC2)N3CCOCC3)C=
    C[S](=O)(=O)c4ccccc4; CCC[C@H](NC(=O)[C@
    H](Cc1ccccc1)NC(=O)N2CC[C@@H](CC2)N3CCOC
    C3)/C=C/[S](=O)(=O)c4ccccc4    		 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE
    30003 MYQ 1 C4 H5 Au O4 S InChI=1S/C4H6O4S.Au/c5-3(
    6)1-2(9)4(7)8;/h2,9H,1H2,
    (H,5,6)(H,7,8);/q;+1/p-1/
    t2-;/m0./s1;
    XJHSMFDIQHVMCY-DKWTVANSSA-M    		 O=C(O)CC(S[Au])C(=O)O; C([C@@H](C(=O)O)S
    [Au])C(=O)O; OC(=O)C[CH](S[Au])C(O)=O; C
    (C(C(=O)O)S[Au])C(=O)O; OC(=O)C[C@H](S[A
    u])C(O)=O    		 (S)-(1,2-DICARBOXYETHYLTHIO)GOLD;
    MYOCRISIN
    30004 MYR
    CHEMBL111077
    DB08231
    ZINC000001530417    		 61 C14 H28 O2 InChI=1S/C14H28O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4(15)16/h2-13H2,1H3,(H,15
    ,16);
    TUNFSRHWOTWDNC-UHFFFAOYSA-N    		 CCCCCCCCCCCCCC(O)=O; CCCCCCCCCCCCCC(=O)O
    ; O=C(O)CCCCCCCCCCCCC    		 MYRISTIC ACID
    30005 MYS
    CHEMBL1234557
    ZINC000001531089    		 0 C15 H32 InChI=1S/C15H32/c1-3-5-7-
    9-11-13-15-14-12-10-8-6-4
    -2/h3-15H2,1-2H3;
    YCOZIPAWZNQLMR-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCC; C(CCCCCC)CCCCCCCC PENTADECANE
    30006 MYT
    CHEMBL934
    DB01011
    ZINC000000001728    		 5 C14 H14 N2 O InChI=1S/C14H14N2O/c1-14(
    2,12-6-4-8-16-10-12)13(17
    )11-5-3-7-15-9-11/h3-10H,
    1-2H3;
    FJLBFSROUSIWMA-UHFFFAOYSA-N    		 O=C(c1cccnc1)C(c2cccnc2)(C)C; CC(C)(c1cc
    cnc1)C(=O)c2cccnc2    		 METYRAPONE
    30007 MYU
    CHEMBL413552
    ZINC000005784821    		 2 C15 H10 O8 InChI=1S/C15H10O8/c16-6-2
    -1-5(3-7(6)17)15-14(22)13
    (21)10-9(23-15)4-8(18)11(
    19)12(10)20/h1-4,16-20,22
    H;
    ZVOLCUVKHLEPEV-UHFFFAOYSA-N    		 c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)
    O)O)O; Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O
    )c(O)cc3O2; O=C1c3c(O)c(O)c(O)cc3OC(=C1O
    )c2ccc(O)c(O)c2    		 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
    2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE;
    2-(3,4-DIHYDROXYPHENYL)-4H-CHROMENE-3,5,6,7-TETRAOL;
    QUERCETAGETIN
    30008 MYV
    ZINC000095628051    		 4 C37 H61 N O12 InChI=1S/C37H61NO12/c1-11
    -28-37(43,20-46-36-34(45-
    10)33(44-9)30(41)25(6)48-
    36)17-13-12-14-27(39)22(3
    )18-23(4)32(21(2)15-16-29
    (40)49-28)50-35-31(42)26(
    38(7)8)19-24(5)47-35/h12-
    17,21-26,28,30-36,41-43H,
    11,18-20H2,1-10H3/b14-12+
    ,16-15+,17-13+/t21-,22+,2
    3-,24+,25+,26-,28+,30+,31
    +,32+,33+,34+,35-,36+,37-
    /m0/s1;
    YZYNKVRRUWKKRX-JGPZLTFNSA-N    		 CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@
    H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C
    @@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C
    @H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC
    )OC)O; CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O
    )O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C(
    C(C(C(O3)C)O)OC)OC)O; CC[C@H]1OC(=O)\C=C
    \[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=C\[C@]1(O)CO[C@@H]3O[C@H](C)[C@@H]
    (O)[C@@H](OC)[C@H]3OC; CC[CH]1OC(=O)C=C[
    CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(
    C)C)[CH](C)C[CH](C)C(=O)C=CC=C[C]1(O)CO[
    CH]3O[CH](C)[CH](O)[CH](OC)[CH]3OC    		 MYCINAMICIN V
    30009 MYW 1 C5 H8 B9 N O2 S InChI=1S/C5H8B9NO2S/c15-1
    8(16,17)3-1-2-5-4-6-8-7(5
    )11(5)9(4,5)10(4,6)12(6,8
    )13(7,8,11)14(9,10,11)12/
    h1-3H2,(H2,15,16,17)/q+1;
    XHKOWSMMXUGPDO-UHFFFAOYSA-N    		 B123B45B167B289B31B823B966B744B622C45[C+
    ]321CCCS(=O)(=O)N; N[S](=O)(=O)CCC[C+]12
    3[B]45[B+]67[B-]89[C@]1%10[B]8%11%12[B]6
    9%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%
    14%15; B123B45B167B289B31B823B966B744B62
    2[C@@]45[C+]321CCCS(=O)(=O)N; N[S](=O)(=
    O)CCC[C+]123[B]45[B+]67[B-]89[C]1%10[B]8
    %11%12[B]69%13[B]47%14[B]25%15[B]3%10%11
    [B]%12%13%14%15    		 Nidocarborane
    30010 MYX
    CHEMBL454568
    DB04741
    ZINC000012504487    		 3 C25 H33 N3 O3 S2 InChI=1S/C25H33N3O3S2/c1-
    16(2)9-7-8-10-17(3)24-28-
    20(15-33-24)25-27-19(14-3
    2-25)11-12-21(30-5)18(4)2
    2(31-6)13-23(26)29/h7-18,
    21H,1-6H3,(H2,26,29)/b9-7
    +,10-8+,12-11+,22-13+/t17
    -,18+,21-/m0/s1;
    XKTFQMCPGMTBMD-FYHMSGCOSA-N    		 CC(C)C=CC=CC(C)c1nc(cs1)c2nc(cs2)C=CC(C(
    C)C(=CC(=O)N)OC)OC; CO[C@@H](\C=C\c1csc(
    n1)c2csc(n2)[C@@H](C)\C=C\C=C\C(C)C)[C@@
    H](C)C(\OC)=C/C(N)=O; O=C(N)\C=C(\OC)C(C
    )C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(\C=C\C=C\
    C(C)C)C; C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1
    )c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=
    O)N)/OC)OC; CO[CH](C=Cc1csc(n1)c2csc(n2)
    [CH](C)C=CC=CC(C)C)[CH](C)C(OC)=CC(N)=O    		 (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E;
    7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE;
    MYXOTHIAZOL
    30011 MYY
    ZINC000016051571    		 0 C33 H65 O8 P InChI=1S/C33H65O8P/c1-3-5
    -7-9-11-13-15-16-18-19-21
    -23-25-27-32(34)39-29-31(
    30-40-42(36,37)38)41-33(3
    5)28-26-24-22-20-17-14-12
    -10-8-6-4-2/h31H,3-30H2,1
    -2H3,(H2,36,37,38)/t31-/m
    1/s1;
    GLOXZZHEZYKXNV-WJOKGBTCSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O
    )OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(
    O)=O)OC(=O)CCCCCCCCCCCCC; O=P(O)(OCC(OC(
    =O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)
    O; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
    C(=O)CCCCCCCCCCCCC    		 (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE
    30012 MYZ
    CHEMBL456732
    ZINC000004529321    		 4 C14 H26 O2 InChI=1S/C14H26O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4(15)16/h5-6H,2-4,7-13H2,
    1H3,(H,15,16)/b6-5-;
    YWWVWXASSLXJHU-WAYWQWQTSA-N    		 CCCC/C=C\CCCCCCCC(=O)O; CCCCC=CCCCCCCCC(
    =O)O; CCCC\C=C/CCCCCCCC(O)=O; CCCCC=CCCC
    CCCCC(O)=O; O=C(O)CCCCCCC\C=C/CCCC    		 Myristoleic acid;
    Z-tetradec-9-enoic acid
    30013 MZ0
    CHEMBL1397797
    ZINC000003861563    		 4 C4 H6 N2 O InChI=1S/C4H6N2O/c7-2-4-1
    -5-3-6-4/h1,3,7H,2H2,(H,5
    ,6);
    QDYTUZCWBJRHKK-UHFFFAOYSA-N    		 c1c([nH]cn1)CO; OCc1cncn1; OCc1[nH]cnc1 1H-imidazol-5-ylmethanol;
    4(5)-(hydroxymethyl)imidazole
    30014 MZ1
    CHEMBL514175
    ZINC000016052443    		 2 C26 H28 F3 N3 O5 S2 InChI=1S/C26H28F3N3O5S2/c
    1-16(30-17(2)33)26(35)31-
    23(11-18-7-4-3-5-8-18)24(
    34)15-32(14-19-9-6-10-38-
    19)39(36,37)25-13-21(28)2
    0(27)12-22(25)29/h3-10,12
    -13,16,23-24,34H,11,14-15
    H2,1-2H3,(H,30,33)(H,31,3
    5)/t16-,23-,24+/m0/s1;
    SQOYURLVDZJWFJ-VVMYJBMMSA-N    		 CC(C(=O)NC(Cc1ccccc1)C(CN(Cc2cccs2)S(=O)
    (=O)c3cc(c(cc3F)F)F)O)NC(=O)C; C[C@@H](C
    (=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cc
    cs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C;
    C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[CH](
    O)CN(Cc2sccc2)[S](=O)(=O)c3cc(F)c(F)cc3F
    ; C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)
    [C@H](O)CN(Cc2sccc2)[S](=O)(=O)c3cc(F)c(
    F)cc3F; O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)
    C(NC(=O)C)C)Cc2ccccc2)c3cc(F)c(F)cc3F    		 N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE
    30015 MZ2
    ZINC000016052444    		 2 C26 H24 F6 N2 O4 S2 InChI=1S/C26H24F6N2O4S2/c
    1-16(26(30,31)32)10-25(36
    )33-22(11-17-6-3-2-4-7-17
    )23(35)15-34(14-18-8-5-9-
    39-18)40(37,38)24-13-20(2
    8)19(27)12-21(24)29/h2-10
    ,12-13,22-23,35H,11,14-15
    H2,1H3,(H,33,36)/b16-10+/
    t22-,23+/m0/s1;
    ZDEYHQOBNVRHPY-POAKBVNNSA-N    		 CC(=CC(=O)NC(Cc1ccccc1)C(CN(Cc2cccs2)S(=
    O)(=O)c3cc(c(cc3F)F)F)O)C(F)(F)F; CC(=CC
    (=O)N[CH](Cc1ccccc1)[CH](O)CN(Cc2sccc2)[
    S](=O)(=O)c3cc(F)c(F)cc3F)C(F)(F)F; O=S(
    =O)(N(Cc1sccc1)CC(O)C(NC(=O)\C=C(/C)C(F)
    (F)F)Cc2ccccc2)c3cc(F)c(F)cc3F; C/C(=C\C
    (=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cc
    cs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F
    ; CC(=C\C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C
    N(Cc2sccc2)[S](=O)(=O)c3cc(F)c(F)cc3F)/C
    (F)(F)F    		 (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE
    30016 MZ3
    CHEMBL475279
    ZINC000016052445    		 2 C30 H31 F N2 O5 S2 InChI=1S/C30H31FN2O5S2/c1
    -21-26(14-7-15-27(21)31)3
    0(35)32-28(17-22-9-4-3-5-
    10-22)29(34)20-33(19-24-1
    2-8-16-39-24)40(36,37)25-
    13-6-11-23(18-25)38-2/h3-
    16,18,28-29,34H,17,19-20H
    2,1-2H3,(H,32,35)/t28-,29
    +/m0/s1;
    AXUYLLZCOSCKTG-URLMMPGGSA-N    		 COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH](Cc
    2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4; COc
    1cccc(c1)[S](=O)(=O)N(C[C@@H](O)[C@H](Cc
    2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4; Cc1
    c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C
    [N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O; O
    =S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2cccc(F)
    c2C)Cc3ccccc3)c4cccc(OC)c4; Cc1c(cccc1F)
    C(=O)NC(Cc2ccccc2)C(CN(Cc3cccs3)S(=O)(=O
    )c4cccc(c4)OC)O    		 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE
    30017 MZ4
    CHEMBL472844
    ZINC000016052446    		 2 C29 H30 N2 O7 S2 InChI=1S/C29H30N2O7S2/c1-
    38-22-9-5-11-24(17-22)40(
    36,37)31(18-23-10-6-14-39
    -23)19-28(34)25(15-20-7-3
    -2-4-8-20)30-29(35)21-12-
    13-26(32)27(33)16-21/h2-1
    4,16-17,25,28,32-34H,15,1
    8-19H2,1H3,(H,30,35)/t25-
    ,28+/m0/s1;
    VEWOLYUNGFMYJI-LBNVMWSVSA-N    		 COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@
    H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)
    O; COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH]
    (Cc2ccccc2)NC(=O)c3ccc(O)c(O)c3)Cc4sccc4
    ; O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2ccc(
    O)c(O)c2)Cc3ccccc3)c4cccc(OC)c4; COc1ccc
    c(c1)S(=O)(=O)N(Cc2cccs2)CC(C(Cc3ccccc3)
    NC(=O)c4ccc(c(c4)O)O)O; COc1cccc(c1)[S](
    =O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O
    )c3ccc(O)c(O)c3)Cc4sccc4    		 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE
    30018 MZ5
    ZINC000016052447    		 2 C27 H37 N3 O5 S2 InChI=1S/C27H37N3O5S2/c1-
    5-19(4)15-30(37(34,35)21-
    11-12-22-25(14-21)36-17-2
    8-22)16-24(31)23(13-20-9-
    7-6-8-10-20)29-27(33)26(3
    2)18(2)3/h6-12,14,17-19,2
    3-24,26,31-32H,5,13,15-16
    H2,1-4H3,(H,29,33)/t19-,2
    3-,24+,26-/m0/s1;
    FGPQFSNHIAFDDH-VSTDWJMWSA-N    		 CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)C(C(C)C)O)
    O)S(=O)(=O)c2ccc3c(c2)scn3; CC[C@H](C)C[
    N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](
    C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3; CC[C
    H](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH
    ](O)C(C)C)[S](=O)(=O)c2ccc3ncsc3c2; O=C(
    NC(Cc1ccccc1)C(O)CN(CC(C)CC)S(=O)(=O)c2c
    cc3ncsc3c2)C(O)C(C)C; CC[C@H](C)CN(C[C@@
    H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)
    C)[S](=O)(=O)c2ccc3ncsc3c2    		 (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE
    30019 MZ6
    ZINC000016052448    		 2 C29 H33 N3 O5 S2 InChI=1S/C29H33N3O5S2/c1-
    3-20(2)17-32(39(36,37)24-
    12-13-25-28(16-24)38-19-3
    0-25)18-27(34)26(14-21-8-
    5-4-6-9-21)31-29(35)22-10
    -7-11-23(33)15-22/h4-13,1
    5-16,19-20,26-27,33-34H,3
    ,14,17-18H2,1-2H3,(H,31,3
    5)/t20-,26-,27+/m0/s1;
    OIOKJSPMDFSKEA-SQMFLSJESA-N    		 CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)
    O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC[C@H](C)
    C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cc
    cc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC[C
    @H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O
    )c2cccc(O)c2)[S](=O)(=O)c3ccc4ncsc4c3; O
    =C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC(C)
    CC)S(=O)(=O)c3ccc4ncsc4c3; CC[CH](C)CN(C
    [CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)
    [S](=O)(=O)c3ccc4ncsc4c3    		 N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE
    30020 MZ7
    CHEMBL514810
    ZINC000016052449    		 2 C29 H40 N4 O5 S2 InChI=1S/C29H40N4O5S2/c1-
    5-6-10-15-33(40(37,38)23-
    13-14-24-27(17-23)39-19-3
    0-24)18-26(35)25(16-22-11
    -8-7-9-12-22)32-29(36)28(
    20(2)3)31-21(4)34/h7-9,11
    -14,17,19-20,25-26,28,35H
    ,5-6,10,15-16,18H2,1-4H3,
    (H,31,34)(H,32,36)/t25-,2
    6+,28-/m0/s1;
    KSHUKVXBNWNYNR-REUBFRLUSA-N    		 CCCCCN(CC(C(Cc1ccccc1)NC(=O)C(C(C)C)NC(=
    O)C)O)S(=O)(=O)c2ccc3c(c2)scn3; CCCCCN(C
    [CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(C)=O
    )C(C)C)[S](=O)(=O)c2ccc3ncsc3c2; CCCCCN(
    C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N
    C(C)=O)C(C)C)[S](=O)(=O)c2ccc3ncsc3c2; C
    CCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[
    C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2
    )scn3; O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(C
    CCCC)S(=O)(=O)c2ccc3ncsc3c2)C(C)C)C    		 N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE
    30021 MZ8
    CHEMBL457783
    ZINC000016052450    		 2 C28 H31 N3 O5 S2 InChI=1S/C28H31N3O5S2/c1-
    19(2)16-31(38(35,36)23-11
    -12-24-27(15-23)37-18-29-
    24)17-26(33)25(13-20-7-4-
    3-5-8-20)30-28(34)21-9-6-
    10-22(32)14-21/h3-12,14-1
    5,18-19,25-26,32-33H,13,1
    6-17H2,1-2H3,(H,30,34)/t2
    5-,26+/m0/s1;
    MQZZULHKSPXDHA-IZZNHLLZSA-N    		 CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O
    )c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4;
    CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2)
    O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC(C)CN(C[
    C@@H](O)[C@H](Cc1ccccc1)NC(=O)c2cccc(O)c
    2)[S](=O)(=O)c3ccc4ncsc4c3; CC(C)CN(C[CH
    ](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)[S]
    (=O)(=O)c3ccc4ncsc4c3; O=C(c1cccc(O)c1)N
    C(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc
    4ncsc4c3    		 N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE
    30022 MZ9
    ZINC000043151755    		 2 C28 H40 N2 O6 S InChI=1S/C28H40N2O6S/c1-5
    -21(3)19-30(37(34,35)25-1
    5-13-24(36-4)14-16-25)20-
    27(32)26(18-22-10-8-7-9-1
    1-22)29-28(33)17-12-23(31
    )6-2/h7-11,13-16,21,26-27
    ,32H,5-6,12,17-20H2,1-4H3
    ,(H,29,33)/t21-,26-,27+/m
    0/s1;
    JJMPZKDTRWEIEO-NJTBCWBZSA-N    		 O=C(CC)CCC(=O)NC(Cc1ccccc1)C(O)CN(S(=O)(
    =O)c2ccc(OC)cc2)CC(C)CC; CC[C@H](C)C[N@@
    ](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC
    )O)S(=O)(=O)c2ccc(cc2)OC; CCC(C)CN(CC(C(
    Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2c
    cc(cc2)OC; CC[CH](C)CN(C[CH](O)[CH](Cc1c
    cccc1)NC(=O)CCC(=O)CC)[S](=O)(=O)c2ccc(O
    C)cc2; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1c
    cccc1)NC(=O)CCC(=O)CC)[S](=O)(=O)c2ccc(O
    C)cc2    		 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
    30023 MZA
    CHEMBL1615104
    ZINC000064746623    		 1 C23 H21 Cl F N3 O3 S InChI=1S/C23H21ClFN3O3S/c
    24-17-4-1-15-12-18(5-2-14
    (15)11-17)32(30,31)27-20-
    8-10-28(23(20)29)21-6-3-1
    6-13-26-9-7-19(16)22(21)2
    5/h1-6,11-12,20,26-27H,7-
    10,13H2/t20-/m0/s1;
    BJOZEZZETKKCMQ-FQEVSTJZSA-N    		 Fc1c2CCNCc2ccc1N3CC[CH](N[S](=O)(=O)c4cc
    c5cc(Cl)ccc5c4)C3=O; c1cc(cc2c1cc(cc2)Cl
    )S(=O)(=O)NC3CCN(C3=O)c4ccc5c(c4F)CCNC5;
    c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN
    (C3=O)c4ccc5c(c4F)CCNC5; Fc1c2CCNCc2ccc1
    N3CC[C@H](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4
    )C3=O    		 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE
    30024 MZB
    ZINC000031415784    		 1 C6 H13 N O4 S InChI=1S/C6H13NO4S/c1-12(
    11)6-2(7)3(8)4(9)5(6)10/h
    2-6,8-10H,7H2,1H3/t2-,3+,
    4+,5+,6+,12+/m0/s1;
    ZJFKRRRXLLAUHQ-DMRLTRFVSA-N    		 C[S@@](=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H
    ](O)[C@H]1O; O=S(C1C(O)C(O)C(O)C1N)C; CS
    (=O)C1C(C(C(C1O)O)O)N; C[S](=O)[CH]1[CH]
    (N)[CH](O)[CH](O)[CH]1O; C[S@@](=O)[C@@H
    ]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N    		 (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol;
    MANNOSTATIN B
    30025 MZC
    CHEMBL504585
    ZINC000002567732    		 3 C14 H17 N3 O3 InChI=1S/C14H17N3O3/c1-9(
    18)15-6-5-10-8-16-13-4-3-
    11(7-12(10)13)17-14(19)20
    -2/h3-4,7-8,16H,5-6H2,1-2
    H3,(H,15,18)(H,17,19);
    MPZVHKLZCUEJFO-UHFFFAOYSA-N    		 CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC; O=C
    (OC)Nc1cc2c(cc1)ncc2CCNC(=O)C; COC(=O)Nc
    1ccc2[nH]cc(CCNC(C)=O)c2c1    		 methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate
    30026 MZD 1 C31 H51 N2 O10 P S InChI=1S/C31H51N2O10PS/c1
    -27(2,17-42-44(39,40)41)2
    4(36)25(37)33-10-7-22(35)
    32-11-12-45-26(38)29(4)9-
    6-8-28(3)20(29)14-21(34)3
    1-15-18-13-19(23(28)31)43
    -30(18,5)16-31/h18-21,23-
    24,34,36H,6-17H2,1-5H3,(H
    ,32,35)(H,33,37)(H2,39,40
    ,41)/t18-,19+,20+,21-,23+
    ,24+,28-,29-,30+,31+/m1/s
    1;
    WNJOABVUVJTUCG-HDNPFTGKSA-N    		 CC12CCCC(C1CC(C34C2C5CC(C3)C(C4)(O5)C)O)
    (C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O
    )(O)O)O; CC(C)(CO[P](O)(O)=O)[C@@H](O)C(
    =O)NCCC(=O)NCCSC(=O)[C@]1(C)CCC[C@]2(C)[
    C@@H]1C[C@@H](O)[C@]34C[C@H]5C[C@H](O[C@
    @]5(C)C3)[C@@H]24; C[C@@]12CCC[C@@]([C@H
    ]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C
    @](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[
    C@@H](C(C)(C)COP(=O)(O)O)O; C3C15C(C2(CC
    CC(C)(C2CC1O)C(=O)SCCNC(=O)CCNC(C(C(COP(
    O)(O)=O)(C)C)O)=O)C)C4OC3(C)C(C4)C5; CC(
    C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCC
    SC(=O)[C]1(C)CCC[C]2(C)[CH]1C[CH](O)[C]3
    4C[CH]5C[CH](O[C]5(C)C3)[CH]24    		 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate
    30027 MZE
    CHEMBL5193920    		 1 C33 H42 N8 O4 S InChI=1S/C33H42N8O4S/c1-3
    3(2,3)39-32(43)38-26-13-1
    5-41(16-14-26)31(42)28(18
    -21-7-4-10-24(17-21)29(34
    )35)40-46(44,45)27-12-6-9
    -23(20-27)22-8-5-11-25(19
    -22)30(36)37/h4-12,17,19-
    20,26,28,40H,13-16,18H2,1
    -3H3,(H3,34,35)(H3,36,37)
    (H2,38,39,43)/t28-/m0/s1;
    JFMRSUSVFPNDAU-NDEPHWFRSA-N    		 CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)C(Cc2cccc(
    c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4cccc(c4)
    C(=N)N; CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C
    @H](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc
    (c3)c4cccc(c4)C(N)=N; CC(C)(C)NC(=O)NC1C
    CN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](
    =O)(=O)c3cccc(c3)c4cccc(c4)C(N)=N; [H]/N
    =C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(
    =O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(
    c4)/C(=N\[H])/N)/N    		 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
    30028 MZF 1 C11 H8 Br N3 O3 InChI=1S/C11H8BrN3O3/c12-
    6-1-2-8-7(3-6)10(16)11(17
    )15(8)4-9-13-5-18-14-9/h1
    -3,5,10,16H,4H2/t10-/m1/s
    1;
    LYOFEJVGYOXWIE-SNVBAGLBSA-N    		 c1cc2c(cc1Br)[C@H](C(=O)N2Cc3ncon3)O; O[
    CH]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13; O[C@H
    ]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13; Brc1cc2
    C(O)C(=O)N(Cc3ncon3)c2cc1; c1cc2c(cc1Br)
    C(C(=O)N2Cc3ncon3)O    		 (3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
    30029 MZG
    CHEMBL194121
    ZINC000000404328    		 2 C7 H7 Cl O InChI=1S/C7H7ClO/c1-5-4-6
    (8)2-3-7(5)9/h2-4,9H,1H3;
    RHPUJHQBPORFGV-UHFFFAOYSA-N    		 Cc1cc(Cl)ccc1O; c1cc(cc(C)c1O)Cl; Cc1cc(
    ccc1O)Cl    		 4-chloro-2-methylphenol
    30030 MZH 0 C10 H12 N2 O5 InChI=1S/C10H12N2O5/c13-7
    -1-2-8(14)11(7)5-17-6-12-
    9(15)3-4-10(12)16/h1-6H2;
    QIKFOEHAAPDKRH-UHFFFAOYSA-N    		 O=C1N(C(=O)CC1)COCN2C(=O)CCC2=O; C1CC(=O
    )N(C1=O)COCN2C(=O)CCC2=O; O=C1CCC(=O)N1C
    OCN2C(=O)CCC2=O    		 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione
    30031 MZI 1 C20 H22 Cl N5 O4 InChI=1S/C20H22ClN5O4/c1-
    14(27)30-13-19(28)22-16-4
    -2-15(3-5-16)12-20(29)26-
    10-8-25(9-11-26)18-7-6-17
    (21)23-24-18/h2-7H,8-13H2
    ,1H3,(H,22,28);
    MASGWEOQCQKQCO-UHFFFAOYSA-N    		 CC(=O)OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3cc
    c(Cl)nn3)cc1; CC(=O)OCC(=O)Nc1ccc(cc1)CC
    (=O)N2CCN(CC2)c3ccc(nn3)Cl; O=C(Cc1ccc(N
    C(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1    		 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate
    30032 MZJ
    CHEMBL4072833
    DB15170
    ZINC000205623965    		 1 C25 H27 N5 O2 InChI=1S/C25H27N5O2/c1-2-
    22(31)30-14-12-18(13-15-3
    0)16-27-25-23(24(26)28-17
    -29-25)19-8-10-21(11-9-19
    )32-20-6-4-3-5-7-20/h2-11
    ,17-18H,1,12-16H2,(H3,26,
    27,28,29);
    QUIWHXQETADMGN-UHFFFAOYSA-N    		 Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1c3ccc(Oc4
    ccccc4)cc3; C=CC(=O)N1CCC(CC1)CNc2c(c(nc
    n2)N)c3ccc(cc3)Oc4ccccc4; n1c(c(c(nc1)N)
    c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C
    )CC4    		 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one;
    Evobrutinib
    30033 MZK
    CHEMBL1222153
    ZINC000058582132    		 2 C16 H12 F3 N O InChI=1S/C16H12F3NO/c17-1
    6(18,19)13-5-1-10(2-6-13)
    11-3-7-14-12(9-11)4-8-15(
    21)20-14/h1-3,5-7,9H,4,8H
    2,(H,20,21);
    WNVWLPPJRMIRBG-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2; c1
    cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F    		 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one
    30034 MZL
    CHEMBL1234565
    ZINC000058649974    		 1 C22 H19 N5 O InChI=1S/C22H19N5O/c1-2-1
    9-13-21(16-5-3-11-23-14-1
    6)26-27(19)20-9-7-18(8-10
    -20)25-22(28)17-6-4-12-24
    -15-17/h3-15H,2H2,1H3,(H,
    25,28);
    CCAFHMPMIJBDRP-UHFFFAOYSA-N    		 O=C(c1cccnc1)Nc2ccc(cc2)n3nc(cc3CC)c4ccc
    nc4; CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)
    c4cccnc4; CCc1cc(nn1c2ccc(NC(=O)c3cccnc3
    )cc2)c4cccnc4    		 N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
    30035 MZM
    CHEMBL288100
    ZINC000012503151    		 17 C5 H8 N4 O3 S2 InChI=1S/C5H8N4O3S2/c1-3(
    10)7-4-9(2)8-5(13-4)14(6,
    11)12/h1-2H3,(H2,6,11,12)
    /b7-4-;
    FLOSMHQXBMRNHR-DAXSKMNVSA-N    		 CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C; CC(=
    O)N=C1N(N=C(S1)S(=O)(=O)N)C; CN1N=C(SC1=
    NC(C)=O)[S](N)(=O)=O; NS(=O)(=O)C=1S/C(N
    (N=1)C)=N\C(=O)C    		 N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide;
    Methazolamide
    30036 MZN 1 C21 H20 F N3 O3 InChI=1S/C21H20FN3O3/c1-2
    -19(27)25-7-6-12(11-25)16
    -8-13-10-23-17(9-14(13)21
    (28)24-16)20-15(22)4-3-5-
    18(20)26/h3-5,9-10,12,26H
    ,2,6-8,11H2,1H3/t12-/m1/s
    1;
    RWOYGQRZJZBHOJ-GFCCVEGCSA-N    		 CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2
    )c4c(O)cccc4F; CCC(=O)N1CCC(C1)C2=NC(=O)
    c3cc(ncc3C2)c4c(cccc4F)O; CCC(=O)N1CC[C@
    H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O;
    CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2
    )c4c(O)cccc4F    		 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one
    30037 MZO
    CHEMBL484385
    ZINC000000031969    		 1 C12 H11 N5 O InChI=1S/C12H11N5O/c1-18-
    9-4-2-3-8(5-9)17-12-10-11
    (14-6-13-10)15-7-16-12/h2
    -7H,1H3,(H2,13,14,15,16,1
    7);
    AXPCHVXFDHPTBW-UHFFFAOYSA-N    		 COc1cccc(c1)Nc2c3c([nH]cn3)ncn2; n2c1c(n
    cn1)c(nc2)Nc3cccc(OC)c3; COc1cccc(Nc2ncn
    c3[nH]cnc23)c1    		 N-(3-methoxyphenyl)-9H-purin-6-amine
    30038 MZP
    DB01945    		 4 C9 H12 N3 O9 P InChI=1S/C9H14N3O9P/c10-7
    (15)4-8(16)12(2-11-4)9-6(
    14)5(13)3(21-9)1-20-22(17
    ,18)19/h2-3,5-6,9,13-14,1
    6H,1H2,(H2,10,15)(H2,17,1
    8,19)/p-2/t3-,5-,6-,9-/m1
    /s1;
    KTKAFSMJDTUUAN-UUOKFMHZSA-L    		 c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O
    2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N; NC(
    =O)c1[nH+]cn([CH]2O[CH](CO[P]([O-])([O-]
    )=O)[CH](O)[CH]2O)c1[O-]; NC(=O)c1[nH+]c
    n([C@@H]2O[C@H](CO[P]([O-])([O-])=O)[C@@
    H](O)[C@H]2O)c1[O-]; c1[nH+]c(c(n1C2C(C(
    C(O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N;
    [O-]P([O-])(=O)OCC2OC(n1c[nH+]c(C(=O)N)c
    1[O-])C(O)C2O    		 4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE
    30039 MZQ 1 C22 H20 F2 N2 O2 InChI=1S/C22H20F2N2O2/c1-
    2-21(27)26-8-7-15(12-26)2
    0-10-14-4-3-13(9-18(14)22
    (28)25-20)17-6-5-16(23)11
    -19(17)24/h3-6,9,11,15H,2
    ,7-8,10,12H2,1H3/t15-/m1/
    s1;
    ZVHLLUCPMIPZMN-OAHLLOKOSA-N    		 CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2
    )c4ccc(F)cc4F; CCC(=O)N1CCC(C1)C2=NC(=O)
    c3cc(ccc3C2)c4ccc(cc4F)F; CCC(=O)N1CC[C@
    H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F;
    CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ccc3C2
    )c4ccc(F)cc4F    		 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one
    30040 MZR
    CHEMBL245019
    DB12617
    ZINC000003812887    		 2 C9 H13 N3 O6 InChI=1S/C9H13N3O6/c10-7(
    16)4-8(17)12(2-11-4)9-6(1
    5)5(14)3(1-13)18-9/h2-3,5
    -6,9,13-15,17H,1H2,(H2,10
    ,16)/t3-,5-,6-,9-/m1/s1;
    HZQDCMWJEBCWBR-UUOKFMHZSA-N    		 O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N; NC(=O)c
    1ncn([CH]2O[CH](CO)[CH](O)[CH]2O)c1O; c1
    nc(c(n1C2C(C(C(O2)CO)O)O)O)C(=O)N; NC(=O
    )c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
    )c1O; c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H]
    (O2)CO)O)O)O)C(=O)N    		 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide;
    Mizoribine
    30041 MZS
    ZINC000004858137    		 1 C12 H9 F N2 O4 InChI=1S/C12H9FN2O4/c13-8
    -3-1-7(2-4-8)6-15-10(12(1
    8)19)5-9(14-15)11(16)17/h
    1-5H,6H2,(H,16,17)(H,18,1
    9);
    YYCGCLWGMQYTDZ-UHFFFAOYSA-N    		 OC(=O)c1cc(n(Cc2ccc(F)cc2)n1)C(O)=O; c1c
    c(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F; O=C(O)
    c1cc(nn1Cc2ccc(F)cc2)C(=O)O    		 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
    30042 MZT
    ZINC000098209198    		 1 C8 H18 N O2 InChI=1S/C8H17NO2/c1-7(9(
    2,3)4)5-6-8(10)11/h7H,5-6
    H2,1-4H3/p+1/t7-/m1/s1;
    RXHVPPWXTMHWGY-SSDOTTSWSA-O    		 CC(CCC(=O)O)[N+](C)(C)C; C[CH](CCC(O)=O)
    [N+](C)(C)C; O=C(O)CCC([N+](C)(C)C)C; C[
    C@H](CCC(=O)O)[N+](C)(C)C; C[C@H](CCC(O)
    =O)[N+](C)(C)C    		 4-(Trimethylammonio)pentanoic acid
    30043 MZU 1 C9 H14 N3 O9 P InChI=1S/C9H14N3O9P/c10-3
    -4(11-12-5(3)9(15)16)8-7(
    14)6(13)2(21-8)1-20-22(17
    ,18)19/h2,6-8,13-14H,1,10
    H2,(H,11,12)(H,15,16)(H2,
    17,18,19)/t2-,6-,7-,8+/m1
    /s1;
    KFBPDQGSYVBBLS-UOQNBVRUSA-N    		 C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)O)N)O)O)O
    P(=O)(O)O; Nc1c([nH]nc1[CH]2O[CH](CO[P](
    O)(O)=O)[CH](O)[CH]2O)C(O)=O; Nc1c([nH]n
    c1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]2O)C(O)=O; C([C@@H]1[C@H]([C@H]([C@@
    H](O1)c2c(c([nH]n2)C(=O)O)N)O)O)OP(=O)(O
    )O    		 4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid
    30044 MZV 4 C20 H13 F3 N6 O InChI=1S/C20H13F3N6O/c21-
    20(22,23)15-9-13(17-6-1-2
    -7-24-17)8-14(10-15)19(30
    )25-16-5-3-4-12(11-16)18-
    26-28-29-27-18/h1-11H,(H,
    25,30)(H,26,27,28,29);
    AFOAIUFQFZTYOF-UHFFFAOYSA-N    		 c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F)
    (F)F)c4ncccc4; FC(F)(F)c1cc(cc(c1)c2cccc
    n2)C(=O)Nc3cccc(c3)c4[nH]nnn4; c1ccnc(c1
    )c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[
    nH]nnn4    		 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
    30045 MZW
    CHEMBL568688
    ZINC000017744087    		 1 C4 H7 N3 S InChI=1S/C4H7N3S/c1-2-3-6
    -7-4(5)8-3/h2H2,1H3,(H2,5
    ,7);
    QXTRPGAMVIONMK-UHFFFAOYSA-N    		 CCc1nnc(s1)N; CCc1sc(N)nn1 5-ethyl-1,3,4-thiadiazol-2-amine
    30046 MZX
    CHEMBL493174
    ZINC000008817671    		 8 C12 H13 N O3 InChI=1S/C12H13NO3/c1-7-6
    -10(14)13-12-9(16-3)5-4-8
    (15-2)11(7)12/h4-6H,1-3H3
    ,(H,13,14);
    BUHDAIGNGIXQJO-UHFFFAOYSA-N    		 O=C2C=C(c1c(OC)ccc(OC)c1N2)C; COc1ccc(OC
    )c2C(=CC(=O)Nc12)C; CC1=CC(=O)Nc2c1c(ccc
    2OC)OC    		 5,8-dimethoxy-4-methylquinolin-2(1H)-one
    30047 MZY
    CHEMBL3260774
    ZINC000004529297    		 3 C3 H4 N2 S InChI=1S/C3H4N2S/c6-3-4-1
    -2-5-3/h1-2H,(H2,4,5,6);
    OXFSTTJBVAAALW-UHFFFAOYSA-N    		 C1=CNC(=S)N1; S=C1NC=CN1 1,3-dihydroimidazole-2-thione;
    2-Mercaptoimidazole
    30048 MZZ 1 C10 H9 N3 O InChI=1S/C10H9N3O/c11-9-3
    -1-8(2-4-9)10(14)13-6-5-1
    2-7-13/h1-7H,11H2;
    HFAQMYBPGXYUBH-UHFFFAOYSA-N    		 Nc1ccc(cc1)C(=O)n2ccnc2; O=C(c1ccc(N)cc1
    )n2ccnc2; c1cc(ccc1C(=O)n2ccnc2)N    		 (4-aminophenyl)-imidazol-1-yl-methanone
    30049 N
    ZINC000005850787    		 18 C5 H11 O7 P InChI=1S/C5H11O7P/c6-3-1-
    11-4(5(3)7)2-12-13(8,9)10
    /h3-7H,1-2H2,(H2,8,9,10)/
    t3-,4+,5-/m0/s1;
    CYZZKTRFOOKUMT-LMVFSUKVSA-N    		 O=P(OCC1OCC(O)C1O)(O)O; O[CH]1CO[CH](CO[
    P](O)(O)=O)[CH]1O; C1C(C(C(O1)COP(=O)(O)
    O)O)O; O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@H
    ]1O; C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)
    O)O)O    		 ANY 5'-MONOPHOSPHATE NUCLEOTIDE;
    1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
    30050 N00 1 C16 H14 Cl N O2 InChI=1S/C16H14ClNO2/c1-8
    -11(9(2)16(19)20)4-5-12-1
    3-7-10(17)3-6-14(13)18-15
    (8)12/h3-7,9,18H,1-2H3,(H
    ,19,20)/t9-/m1/s1;
    ISYVWNKBJIDJSU-SECBINFHSA-N    		 O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C; C
    [C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)
    c1C; Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C(
    =O)O; Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)[C@@H
    ](C)C(=O)O; C[CH](C(O)=O)c1ccc2c([nH]c3c
    cc(Cl)cc23)c1C    		 (2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
    30051 N01 3 C22 H26 N6 O17 P3 InChI=1S/C22H29N6O17P3/c1
    -10(29)11-3-2-4-27(5-11)2
    1-17(32)15(30)12(42-21)6-
    40-47(36,37)45-48(38,39)4
    1-7-13-16(31)18(44-46(33,
    34)35)22(43-13)28-9-26-14
    -19(23)24-8-25-20(14)28/h
    2-5,8-9,12-13,15-18,21-22
    ,30-32H,6-7H2,1H3,(H5-,23
    ,24,25,33,34,35,36,37,38,
    39)/p-3/t12-,13-,15-,16-,
    17-,18-,21-,22-/m1/s1;
    CWZSJEPJRFQEBR-RBEMOOQDSA-K    		 CC(=O)c1ccc[n+](c1)[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)n4cnc5c4ncnc5N)O
    P(=O)([O-])[O-])O)O)O; CC(=O)c1ccc[n+](c
    1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P]([O-]
    )(=O)OC[C@H]3O[C@H]([C@H](O[P]([O-])([O-
    ])=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)
    [C@H]2O; CC(=O)c1ccc[n+](c1)[CH]2O[CH](C
    O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]
    ([CH](O[P]([O-])([O-])=O)[CH]3O)n4cnc5c(
    N)ncnc45)[CH](O)[CH]2O; CC(=O)c1ccc[n+](
    c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])O
    CC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)([O-])[
    O-])O)O)O    		 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE
    30052 N02 1 C26 H46 N4 O10 S InChI=1S/C26H46N4O10S/c1-
    7-26(9-12-30(13-10-26)24(
    35)40-25(4,5)6)39-23(34)2
    9-18(14-16(2)3)21(32)28-1
    9(22(33)41(36,37)38)15-17
    -8-11-27-20(17)31/h16-19,
    22,33H,7-15H2,1-6H3,(H,27
    ,31)(H,28,32)(H,29,34)(H,
    36,37,38)/t17-,18-,19-,22
    -/m0/s1;
    XQPCHNVZRFSEQT-OZIGNCPNSA-N    		 CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[CH](
    CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[
    S](O)(=O)=O; CCC1(CCN(CC1)C(=O)OC(C)(C)C
    )OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@
    H]2CCNC2=O)[C@@H](O)S(=O)(=O)O; C(=O)(NC
    (C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)CC(C)
    C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC; CCC1(CC
    N(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)
    C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)
    [S](O)(=O)=O; CCC1(CCN(CC1)C(=O)OC(C)(C)
    C)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O
    )S(=O)(=O)O    		 (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid;
    bound form
    30053 N03 1 C20 H18 N4 O InChI=1S/C20H18N4O/c1-11-
    17(12(2)25)18(13-6-4-3-5-
    7-13)19(22-11)20-23-15-9-
    8-14(21)10-16(15)24-20/h3
    -10,22H,21H2,1-2H3,(H,23,
    24);
    AUSSNQJQQVILMB-UHFFFAOYSA-N    		 CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1
    c4ccccc4; Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3
    n2)N)c4ccccc4)C(=O)C    		 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone
    30054 N04
    CHEMBL1928352
    ZINC000073197763    		 1 C23 H20 N2 O8 S InChI=1S/C23H20N2O8S/c26-
    19(27)8-7-17(22(30)31)24-
    20(28)15-5-1-4-14(9-15)12
    -33-16-6-2-3-13(10-16)11-
    18-21(29)25-23(32)34-18/h
    1-6,9-11,17H,7-8,12H2,(H,
    24,28)(H,26,27)(H,30,31)(
    H,25,29,32)/b18-11-/t17-/
    m1/s1;
    LTRBYYDVMAAOIG-LVSMMTLPSA-N    		 OC(=O)CC[C@@H](NC(=O)c1cccc(COc2cccc(c2)
    \C=C3/SC(=O)NC3=O)c1)C(O)=O; c1cc(cc(c1)
    C(=O)NC(CCC(=O)O)C(=O)O)COc2cccc(c2)C=C3
    C(=O)NC(=O)S3; OC(=O)CC[CH](NC(=O)c1cccc
    (COc2cccc(c2)C=C3SC(=O)NC3=O)c1)C(O)=O;
    c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)C
    Oc2cccc(c2)\C=C/3\C(=O)NC(=O)S3    		 (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid
    30055 N05 5 C25 H30 F N5 O3 InChI=1S/C25H30FN5O3/c1-1
    4(2)25(20(13-27)23(28)34-
    24-22(25)15(3)29-30-24)17
    -10-18(26)12-19(11-17)31-
    8-6-16(7-9-31)4-5-21(32)3
    3/h10-12,14,16H,4-9,28H2,
    1-3H3,(H,29,30)(H,32,33)/
    t25-/m0/s1;
    MARQRCANXIMJDC-VWLOTQADSA-N    		 Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)F)N4CC
    C(CC4)CCC(=O)O)C(C)C)C#N)N; CC(C)[C]1(c2
    cc(F)cc(c2)N3CCC(CC3)CCC(O)=O)C(=C(N)Oc4
    n[nH]c(C)c14)C#N; Cc1c2c(n[nH]1)OC(=C([C
    @@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C
    )C)C#N)N; CC(C)[C@]1(c2cc(F)cc(c2)N3CCC(
    CC3)CCC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N    		 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid
    30056 N06 1 C18 H22 Cl N5 O InChI=1S/C18H22ClN5O/c1-2
    2(2)15-5-3-14(4-6-15)13-1
    8(25)24-11-9-23(10-12-24)
    17-8-7-16(19)20-21-17/h3-
    8H,9-13H2,1-2H3;
    PUKLCDKNRBGLKK-UHFFFAOYSA-N    		 O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl)
    nn1; CN(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl
    )nn3)cc1; CN(C)c1ccc(cc1)CC(=O)N2CCN(CC2
    )c3ccc(nn3)Cl    		 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one
    30057 N07
    ZINC000096132694    		 3 C21 H21 N3 O2 InChI=1S/C21H21N3O2/c1-15
    -22-23-20(26-15)18-9-5-7-
    16(13-18)17-8-6-10-19(14-
    17)21(25)24-11-3-2-4-12-2
    4/h5-10,13-14H,2-4,11-12H
    2,1H3;
    IKHAJTCUSZHKAO-UHFFFAOYSA-N    		 Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCC
    CC4; Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)
    N4CCCCC4    		 [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
    30058 N08
    ZINC000000339915    		 6 C13 H12 F N O2 InChI=1S/C13H12FNO2/c14-1
    1-5-3-10(4-6-11)7-8-15-13
    (16)12-2-1-9-17-12/h1-6,9
    H,7-8H2,(H,15,16);
    GSMVTQDRELNXRQ-UHFFFAOYSA-N    		 Fc1ccc(CCNC(=O)c2occc2)cc1; c1cc(oc1)C(=
    O)NCCc2ccc(cc2)F    		 ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
    30059 N09
    CHEMBL3360632
    ZINC000098209199    		 8 C19 H14 Cl N3 O4 InChI=1S/C19H14ClN3O4/c1-
    26-16-8-11(6-7-14(16)20)2
    2-17(24)10-23-18-12-4-2-3
    -5-15(12)27-19(25)13(18)9
    -21-23/h2-9H,10H2,1H3,(H,
    22,24);
    DJHSRZJOSYWGCG-UHFFFAOYSA-N    		 COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)cc
    c1Cl; COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(
    =O)Oc4c3cccc4; Clc1ccc(cc1OC)NC(=O)Cn4nc
    c2c4c3c(OC2=O)cccc3    		 N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide
    30060 N0A
    CHEMBL300672
    ZINC000000113783    		 0 C9 H10 F N O2 InChI=1S/C9H10FNO2/c10-7-
    3-1-2-6(4-7)5-8(11)9(12)1
    3/h1-4,8H,5,11H2,(H,12,13
    )/t8-/m0/s1;
    VWHRYODZTDMVSS-QMMMGPOBSA-N    		 c1cc(cc(c1)F)CC(C(=O)O)N; c1cc(cc(c1)F)C
    [C@@H](C(=O)O)N; NC(Cc1cccc(c1)F)C(=O)O;
    N[CH](Cc1cccc(F)c1)C(O)=O; N[C@@H](Cc1c
    ccc(F)c1)C(O)=O    		 3-fluoro-L-phenylalanine
    30061 N0B 1 C25 H36 N7 O10 P InChI=1S/C25H36N7O10P/c26
    -16(3-1-2-6-28-25(36)39-9
    -15-8-13-4-5-14(15)7-13)2
    4(35)42-43(37,38)40-10-17
    -19(33)20(34)23(41-17)32-
    12-31-18-21(27)29-11-30-2
    2(18)32/h4-5,11-17,19-20,
    23,33-34H,1-3,6-10,26H2,(
    H,28,36)(H,37,38)(H2,27,2
    9,30)/p-1/t13-,14+,15+,16
    +,17-,19-,20+,23+/m0/s1;
    MYIVZOBPRNLOTH-PEZDGLODSA-M    		 N[C@H](CCCCNC(=O)OC[C@H]1C[C@@H]2C[C@H]1
    C=C2)C(=O)O[P](O)(=O)OC[C@@H]3O[C@H]([C@
    H](O)[C@H]3O)n4cnc5c(N)ncnc45; N[CH](CCC
    CNC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)O[P]
    (O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5
    c(N)ncnc45; c1nc(c2c(n1)n(cn2)C3C(C(C(O3
    )COP(=O)(O)OC(=O)C(CCCCNC(=O)OCC4CC5CC4C
    =C5)N)O)O)N; O=C(OCC2CC1C=CC2C1)NCCCCC(N
    )C(=O)OP([O-])(=O)OCC5OC(n4cnc3c(ncnc34)
    N)C(O)C5O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H
    ]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H]
    (CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N
    )O)O)N    		 Adenylated Norbornene
    30062 N0C 1 C22 H34 N8 O2 InChI=1S/C22H32N8O2/c1-29
    (2,3)15-20(31)27-23-13-18
    -12-19(14-24-28-21(32)16-
    30(4,5)6)26-22(25-18)17-1
    0-8-7-9-11-17/h7-13H,14-1
    6H2,1-6H3,(H-2,23,24,25,2
    6,27,28,31,32)/p+2;
    HKNVHNBOLZPBQX-UHFFFAOYSA-P    		 C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)
    /C=N/NC(=O)C[N+](C)(C)C; C[N+](C)(C)CC(=
    O)NNCc1cc(\C=N\NC(=O)C[N+](C)(C)C)nc(n1)
    c2ccccc2; C[N+](C)(C)CC(=O)NNCc1cc(C=NNC
    (=O)C[N+](C)(C)C)nc(n1)c2ccccc2; C[N+](C
    )(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)C=NNC(=
    O)C[N+](C)(C)C    		 ~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
    30063 N0D
    CHEMBL29878
    ZINC000001672873    		 2 C8 H10 O InChI=1S/C8H10O/c1-6-3-4-
    8(9)7(2)5-6/h3-5,9H,1-2H3;
    KUFFULVDNCHOFZ-UHFFFAOYSA-N    		 Cc1ccc(O)c(C)c1; Cc1cc(C)ccc1O; Cc1ccc(c
    (c1)C)O    		 2,4-dimethylphenol
    30064 N0E
    CHEMBL1801544
    ZINC000000362862    		 3 C15 H15 N O2 InChI=1S/C15H15NO2/c17-14
    -9-7-13(8-10-14)16-15(18)
    11-6-12-4-2-1-3-5-12/h1-5
    ,7-10,17H,6,11H2,(H,16,18
    );
    OHWHQNCVWRVQFT-UHFFFAOYSA-N    		 c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O; Oc1ccc(NC
    (=O)CCc2ccccc2)cc1    		 ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide
    30065 N0F 1 C18 H23 N3 O2 S InChI=1S/C18H23N3O2S/c1-1
    3-2-6-19-11-16(13)20-18(2
    3)10-17(14-5-9-24-12-14)2
    1-7-3-15(22)4-8-21/h2,5-6
    ,9,11-12,15,17,22H,3-4,7-
    8,10H2,1H3,(H,20,23)/t17-
    /m1/s1;
    ASXLXOCGCKXODB-QGZVFWFLSA-N    		 Cc1ccncc1NC(=O)C[C@H](c2ccsc2)N3CCC(CC3)
    O; Cc1ccncc1NC(=O)C[CH](N2CCC(O)CC2)c3cs
    cc3; Cc1ccncc1NC(=O)CC(N1CCC(O)CC1)c1ccs
    c1; Cc1ccncc1NC(=O)CC(c2ccsc2)N3CCC(CC3)
    O; Cc1ccncc1NC(=O)C[C@@H](N2CCC(O)CC2)c3
    cscc3    		 (3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide
    30066 N0G 1 C26 H22 N2 O2 InChI=1S/C26H22N2O2/c1-18
    (19-9-3-2-4-10-19)28-26(3
    0)22-13-7-8-14-24(22)27-1
    7-23-21-12-6-5-11-20(21)1
    5-16-25(23)29/h2-18,29H,1
    H3,(H,28,30)/b27-17-/t18-
    /m0/s1;
    UXJFDYIHRJGPFS-PTXYPZRJSA-N    		 C[CH](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23
    )c4ccccc4; C[C@@H](c1ccccc1)NC(=O)c2cccc
    c2N=Cc3c4ccccc4ccc3O; CC(c1ccccc1)NC(=O)
    c2ccccc2N=Cc3c4ccccc4ccc3O; N(/c2c(C(=O)
    NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O
    ; C[C@H](NC(=O)c1ccccc1N=Cc2c(O)ccc3cccc
    c23)c4ccccc4    		 2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide;
    Sirtinol
    30067 N0H
    ZINC000000406702    		 1 C14 H13 N O3 InChI=1S/C14H13NO3/c16-13
    -9-5-4-8-12(13)15-14(17)1
    0-18-11-6-2-1-3-7-11/h1-9
    ,16H,10H2,(H,15,17);
    CDCGNSIPUSWYOD-UHFFFAOYSA-N    		 Oc1ccccc1NC(=O)COc2ccccc2; c1ccc(cc1)OCC
    (=O)Nc2ccccc2O    		 ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
    30068 N0I 1 C18 H22 Cl N5 O3 S InChI=1S/C18H22ClN5O3S/c1
    -22(28(2,26)27)15-5-3-14(
    4-6-15)13-18(25)24-11-9-2
    3(10-12-24)17-8-7-16(19)2
    0-21-17/h3-8H,9-13H2,1-2H
    3;
    VYZPOGQCRRFCMR-UHFFFAOYSA-N    		 O=C(Cc1ccc(cc1)N(C)S(C)(=O)=O)N1CCN(CC1)
    c1ccc(Cl)nn1; CN(c1ccc(cc1)CC(=O)N2CCN(C
    C2)c3ccc(nn3)Cl)S(=O)(=O)C; CN(c1ccc(CC(
    =O)N2CCN(CC2)c3ccc(Cl)nn3)cc1)[S](C)(=O)
    =O    		 N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide
    30069 N0J
    CHEMBL4560418    		 1 C32 H39 Cl N2 O5 S InChI=1S/C32H39ClN2O5S/c1
    -2-25-7-3-4-8-29(36)26-12
    -9-23(26)18-35-19-32(15-5
    -6-21-16-24(33)11-13-27(2
    1)32)20-40-30-14-10-22(17
    -28(30)35)31(37)34-41(25,
    38)39/h4,8,10-11,13-14,16
    -17,23,25-26,29,36H,2-3,5
    -7,9,12,15,18-20H2,1H3,(H
    ,34,37)/b8-4+/t23-,25+,26
    +,29-,32-/m0/s1;
    ZZVVBMLGOHPTPZ-ZHYCUCQBSA-N    		 CC[C@@H]1CC\C=C\[C@H](O)[C@@H]2CC[C@H]2C
    [N@@]3C[C@@]4(CCCc5cc(Cl)ccc45)COc6ccc(c
    c36)C(=O)N[S]1(=O)=O; CCC1CCC=CC(C2CCC2C
    N3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O
    )NS1(=O)=O)O; CC[CH]1CCC=C[CH](O)[CH]2CC
    [CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc
    (cc36)C(=O)N[S]1(=O)=O; CCC6CCC=CC(O)C1C
    CC1CN4CC2(CCCc3c2ccc(c3)Cl)COc5c4cc(cc5)
    C(NS6(=O)=O)=O; CC[C@@H]1CC/C=C/[C@@H]([
    C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(
    c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O    		 (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
    30070 N0K 14 C24 H37 N3 O5 S InChI=1S/C24H37N3O5S/c1-2
    7(2)21-11-7-10-18-17(21)9
    -8-12-23(18)33(31,32)26-1
    4-6-4-3-5-13-25-20-15-22(
    29)24(30)19(20)16-28/h7-1
    2,19-20,22,24-26,28-30H,3
    -6,13-16H2,1-2H3/t19-,20-
    ,22+,24-/m0/s1;
    YQJKLKLPVRSCCE-QRVLJTFESA-N    		 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H
    ]3C[C@H]([C@H]([C@H]3CO)O)O; CN(C)c1cccc
    2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3C[C@@H]
    (O)[C@@H](O)[C@H]3CO; CN(C)c1cccc2c1cccc
    2S(=O)(=O)NCCCCCCNC3CC(C(C3CO)O)O; CN(C)
    c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[
    CH](O)[CH](O)[CH]3CO    		 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
    30071 N0L 1 C22 H31 Cl2 N3 O3 InChI=1S/C22H31Cl2N3O3/c2
    3-16-20(28)25-11-1-2-17-7
    -12-27(13-8-17)21(29)22(9
    -14-30-15-10-22)26-19-5-3
    -18(24)4-6-19/h3-6,17,26H
    ,1-2,7-16H2,(H,25,28);
    YDOPFLYDYZIKJH-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC
    (=O)CCl)Cl; ClCC(=O)NCCCC1CCN(CC1)C(=O)C
    2(CCOCC2)Nc3ccc(Cl)cc3    		 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide
    30072 N0M
    CHEMBL4465718    		 1 C31 H39 Cl N2 O5 S InChI=1S/C31H39ClN2O5S/c1
    -20-5-2-3-7-28(35)25-11-8
    -23(25)17-34-18-31(14-4-6
    -21-15-24(32)10-12-26(21)
    31)19-39-29-13-9-22(16-27
    (29)34)30(36)33-40(20,37)
    38/h9-10,12-13,15-16,20,2
    3,25,28,35H,2-8,11,14,17-
    19H2,1H3,(H,33,36)/t20-,2
    3+,25-,28+,31+/m1/s1;
    BNATWTSFOSDXBZ-CQYHMPFISA-N    		 C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]
    3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C
    (=O)NS1(=O)=O)O; C[CH]1CCCC[CH](O)[CH]2C
    C[CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6cc
    c(cc36)C(=O)N[S]1(=O)=O; C2CCc1c(ccc(c1)
    Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(CCCCC(C6C
    (C5)CC6)O)C)(=O)=O)=O; CC1CCCCC(C2CCC2CN
    3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)
    NS1(=O)=O)O; C[C@@H]1CCCC[C@H](O)[C@@H]2
    CC[C@H]2C[N@@]3C[C@@]4(CCCc5cc(Cl)ccc45)
    COc6ccc(cc36)C(=O)N[S]1(=O)=O    		 (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
    30073 N0N
    CHEMBL4069909    		 10 C24 H37 N3 O6 S InChI=1S/C24H37N3O6S/c1-2
    7(2)19-11-7-10-17-16(19)9
    -8-12-20(17)34(32,33)26-1
    4-6-4-3-5-13-25-21-18(15-
    28)22(29)24(31)23(21)30/h
    7-12,18,21-26,28-31H,3-6,
    13-15H2,1-2H3/t18-,21+,22
    -,23-,24-/m0/s1;
    UQDXIILZCYJPNV-GXWFBMCDSA-N    		 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C(
    C(C(C3O)O)O)CO; CN(C)c1cccc2c1cccc2[S](=
    O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@
    @H](O)[C@H]3CO; CN(C)c1cccc2c1cccc2S(=O)
    (=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H](
    [C@H]3O)O)O)CO; CN(C)c1cccc2c1cccc2[S](=
    O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)
    [CH]3CO    		 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
    30074 N0O 1 C17 H13 Cl N4 O2 InChI=1S/C17H13ClN4O2/c18
    -11-6-7-15-13(8-11)14(9-2
    4-15)16(23)20-17-21-19-10
    -22(17)12-4-2-1-3-5-12/h1
    -8,10,14H,9H2,(H,20,21,23
    )/t14-/m1/s1;
    MRZHVMLGHCTVMT-CQSZACIVSA-N    		 c1ccc(cc1)n2cnnc2NC(=O)[C@@H]3COc4c3cc(c
    c4)Cl; Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1c1c
    cccc1; Clc1ccc2OC[C@@H](C(=O)Nc3nncn3c4c
    cccc4)c2c1; c1ccc(cc1)n2cnnc2NC(=O)C3COc
    4c3cc(cc4)Cl; Clc1ccc2OC[CH](C(=O)Nc3nnc
    n3c4ccccc4)c2c1    		 (3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
    30075 N0P
    CHEMBL5193416    		 2 C26 H31 Cl N2 O5 S InChI=1S/C26H31ClN2O5S/c2
    7-21-6-7-22-19(15-21)9-10
    -26(22)17-29-11-3-1-2-4-1
    2-33-13-14-35(31,32)28-25
    (30)20-5-8-24(34-18-26)23
    (29)16-20/h5-8,15-16H,1-4
    ,9-14,17-18H2,(H,28,30)/t
    26-/m0/s1;
    QBWGEQPNKKSGAL-SANMLTNESA-N    		 Clc1ccc2c(CC[C]23COc4ccc5cc4[N](CCCCCCOC
    C[S](=O)(=O)NC5=O)C3)c1; c5c(Cl)cc4CCC2(
    COc1ccc3cc1N(C2)CCCCCCOCCS(=O)(NC3=O)=O)
    c4c5; c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCC
    N3CC4(CCc5c4ccc(c5)Cl)CO2; c1cc2c3cc1C(=
    O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc
    (c5)Cl)CO2; Clc1ccc2c(CC[C@]23COc4ccc5cc
    4[N@](CCCCCCOCC[S](=O)(=O)NC5=O)C3)c1    		 (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione
    30076 N0Q 9 C24 H37 N3 O5 S InChI=1S/C24H37N3O5S/c1-2
    7(2)21-12-7-10-18-17(21)9
    -8-13-23(18)33(31,32)26-1
    4-6-4-3-5-11-20-19(16-28)
    24(30)22(29)15-25-20/h7-1
    0,12-13,19-20,22,24-26,28
    -30H,3-6,11,14-16H2,1-2H3
    /t19-,20+,22+,24-/m0/s1;
    YUUSOYGEJQMOTK-IKJKNFHUSA-N    		 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH
    ]3NC[CH](O)[CH](O)[CH]3CO; CN(C)c1cccc2c
    1cccc2[S](=O)(=O)NCCCCCC[C@H]3NC[C@@H](O
    )[C@@H](O)[C@H]3CO; CN(C)c1cccc2c1cccc2S
    (=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@
    H](CN3)O)O)CO; CN(C)c1cccc2c1cccc2S(=O)(
    =O)NCCCCCCC3C(C(C(CN3)O)O)CO    		 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
    30077 N0R 1 C18 H20 Cl N5 O3 InChI=1S/C18H20ClN5O3/c19
    -15-5-6-16(22-21-15)23-7-
    9-24(10-8-23)18(27)11-13-
    1-3-14(4-2-13)20-17(26)12
    -25/h1-6,25H,7-12H2,(H,20
    ,26);
    WEDTXJVSLAQYOD-UHFFFAOYSA-N    		 OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)n
    n3)cc1; c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(n
    n3)Cl)NC(=O)CO; O=C(Cc1ccc(NC(=O)CO)cc1)
    N1CCN(CC1)c1ccc(Cl)nn1    		 N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide
    30078 N0S
    CHEMBL4468645    		 2 C31 H37 Cl N2 O5 S InChI=1S/C31H37ClN2O5S/c1
    -20-5-2-3-7-28(35)25-11-8
    -23(25)17-34-18-31(14-4-6
    -21-15-24(32)10-12-26(21)
    31)19-39-29-13-9-22(16-27
    (29)34)30(36)33-40(20,37)
    38/h3,7,9-10,12-13,15-16,
    20,23,25,28,35H,2,4-6,8,1
    1,14,17-19H2,1H3,(H,33,36
    )/b7-3+/t20-,23+,25-,28+,
    31+/m1/s1;
    BHVJUQVROJMZJB-MQTRKTCISA-N    		 C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C
    (NS(C(CCC=CC(C6C(C5)CC6)O)C)(=O)=O)=O; C
    C1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)C
    Oc6c3cc(cc6)C(=O)NS1(=O)=O)O; C[C@@H]1CC
    \C=C\[C@H](O)[C@@H]2CC[C@H]2C[N@@]3C[C@@
    ]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[
    S]1(=O)=O; C[C@@H]1CC/C=C/[C@@H]([C@@H]2
    CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)
    COc6c3cc(cc6)C(=O)NS1(=O)=O)O; C[CH]1CCC
    =C[CH](O)[CH]2CC[CH]2C[N]3C[C]4(CCCc5cc(
    Cl)ccc45)COc6ccc(cc36)C(=O)N[S]1(=O)=O    		 (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
    30079 N0T 9 C14 H29 N O4 InChI=1S/C14H29NO4/c1-2-3
    -4-5-6-7-8-15-11-10(9-16)
    12(17)14(19)13(11)18/h10-
    19H,2-9H2,1H3/t10-,11+,12
    -,13-,14-/m0/s1;
    UZTOTQLQFAGSAI-NDKCEZKHSA-N    		 CCCCCCCCNC1C(C(C(C1O)O)O)CO; CCCCCCCCN[C
    @@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
    ; CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H]
    (O)[C@H]1CO; CCCCCCCCN[CH]1[CH](O)[CH](O
    )[CH](O)[CH]1CO    		 (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
    30080 N0U 0 C27 H26 F2 N4 O InChI=1S/C27H26F2N4O/c1-1
    5-9-11-19(17-10-12-18-16(
    2)31-32-22(18)14-17)20-6-
    4-8-23(24(15)20)33(3)27(3
    4)25-21(26(28)29)7-5-13-3
    0-25/h5,7,9-14,23,26H,4,6
    ,8H2,1-3H3,(H,31,32)/t23-
    /m1/s1;
    ZGVMLURVURNUQI-HSZRJFAPSA-N    		 Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F
    )F)c4ccc5c(n[nH]c5c4)C; Cc1ccc(c2c1[C@@H
    ](CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c(
    n[nH]c5c4)C; CN([CH]1CCCc2c(ccc(C)c12)c3
    ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F; CN
    ([C@@H]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]
    c4c3)C(=O)c5ncccc5C(F)F    		 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
    30081 N0V
    CHEMBL3645227
    ZINC000096174201    		 1 C39 H40 N8 O3 InChI=1S/C39H40N8O3/c1-50
    -25-39(38(49)43-31-9-10-3
    3-32(22-31)36(45-44-33)30
    -11-17-40-34(21-30)28-5-6
    -28)14-20-46(24-39)23-35(
    48)47-18-12-27(13-19-47)2
    6-3-7-29(8-4-26)37-41-15-
    2-16-42-37/h2-4,7-12,15-1
    7,21-22,28H,5-6,13-14,18-
    20,23-25H2,1H3,(H,43,49)(
    H,44,45)/t39-/m1/s1;
    FSTCYTJKYVEAES-LDLOPFEMSA-N    		 C1CC1c2cc(ccn2)c8c7c(ccc(NC(C3(CN(CC3)CC
    (N4CC=C(CC4)c5ccc(cc5)c6ncccn6)=O)COC)=O
    )c7)nn8; COCC1(CCN(C1)CC(=O)N2CCC(=CC2)c
    3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[n
    H]6)c7ccnc(c7)C8CC8; COC[C@]1(CCN(C1)CC(
    =O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc
    5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8; COC[
    C]1(CCN(CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncc
    cn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccnc(c7)C8CC
    8)c6c5; COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c3
    ccc(cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c
    7ccnc(c7)C8CC8)c6c5    		 (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide
    30082 N0W 8 C24 H37 N3 O5 S InChI=1S/C24H37N3O5S/c1-2
    7(2)21-12-7-10-18-17(21)9
    -8-13-23(18)33(31,32)26-1
    4-6-4-3-5-11-20-19(16-28)
    24(30)22(29)15-25-20/h7-1
    0,12-13,19-20,22,24-26,28
    -30H,3-6,11,14-16H2,1-2H3
    /t19-,20-,22+,24-/m0/s1;
    YUUSOYGEJQMOTK-QRVLJTFESA-N    		 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH
    ]3NC[CH](O)[CH](O)[CH]3CO; CN(C)c1cccc2c
    1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H
    ]([C@@H](CN3)O)O)CO; CN(C)c1cccc2c1cccc2
    S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO; CN(C
    )c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[C@@H]3
    NC[C@@H](O)[C@@H](O)[C@H]3CO    		 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
    30083 N0X 1 C16 H18 N4 O2 InChI=1S/C16H18N4O2/c1-16
    (8-9-22-13-5-3-2-4-12(13)
    16)14(21)18-15-19-17-10-2
    0(15)11-6-7-11/h2-5,10-11
    H,6-9H2,1H3,(H,18,19,21)/
    t16-/m1/s1;
    UPRDTUXXNWJLMA-MRXNPFEDSA-N    		 C[C@]1(CCOc2ccccc12)C(=O)Nc3nncn3C4CC4;
    O=C(Nc1nncn1C1CC1)C1(C)CCOc2ccccc21; C[C
    @]1(CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4; CC1
    (CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4; C[C]1(
    CCOc2ccccc12)C(=O)Nc3nncn3C4CC4    		 (4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    30084 N0Y
    CHEMBL1915868
    ZINC000001640891    		 5 C14 H14 O InChI=1S/C14H14O/c1-15-14
    -9-7-13(8-10-14)11-12-5-3
    -2-4-6-12/h2-10H,11H2,1H3;
    GQLYCRTUQGSDSM-UHFFFAOYSA-N    		 COc1ccc(cc1)Cc2ccccc2; COc1ccc(Cc2ccccc2
    )cc1; c1c(cccc1)Cc2ccc(cc2)OC    		 1-benzyl-4-methoxybenzene
    30085 N0Z 4 C10 H9 N5 O InChI=1S/C10H9N5O/c11-8-7
    -5-3-4(16)1-2-6(5)13-9(7)
    15-10(12)14-8/h1-3,16H,(H
    5,11,12,13,14,15);
    QPHUIBRHCXZODB-UHFFFAOYSA-N    		 Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1; c1cc2c(
    cc1O)c3c(nc(nc3[nH]2)N)N    		 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
    30086 N10
    ZINC000058650987    		 0 C10 H20 N2 O4 InChI=1S/C10H20N2O4/c1-2-
    3-4-5-6-12-10(15)16-7-8(1
    1)9(13)14/h8H,2-7,11H2,1H
    3,(H,12,15)(H,13,14)/t8-/
    m0/s1;
    XOZLSURLRCSCTN-QMMMGPOBSA-N    		 CCCCCCNC(=O)OCC(C(=O)O)N; CCCCCCNC(=O)OC
    [C@@H](C(=O)O)N; CCCCCCNC(=O)OC[C@H](N)C
    (O)=O; O=C(O)C(N)COC(=O)NCCCCCC; CCCCCCN
    C(=O)OC[CH](N)C(O)=O    		 O-[(HEXYLAMINO)CARBONYL]-L-SERINE
    30087 N11
    CHEMBL1234570
    ZINC000033967549    		 4 C12 H15 N3 O4 S InChI=1S/C12H15N3O4S/c16-
    7-3-1-2-4-8-20-10-6-5-9(1
    5(17)18)11-12(10)14-19-13
    -11/h5-6,16H,1-4,7-8H2;
    RGXYYAZGELLKDA-UHFFFAOYSA-N    		 c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO; [
    O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12; OCCC
    CCCSc1ccc(c2nonc12)[N+]([O-])=O    		 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol;
    6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
    30088 N12
    CHEMBL207788
    ZINC000016051780    		 1 C24 H36 N6 O4 InChI=1S/C24H36N6O4/c25-2
    1(26)18-9-8-17(13-27-18)1
    4-29-23(34)24(10-4-5-11-2
    4)30-22(33)19(28-15-20(31
    )32)12-16-6-2-1-3-7-16/h8
    -9,13,16,19,28H,1-7,10-12
    ,14-15H2,(H3,25,26)(H,29,
    34)(H,30,33)(H,31,32)/t19
    -/m1/s1;
    OYDOPLZDDBTLCK-LJQANCHMSA-N    		 NC(=N)c1ccc(CNC(=O)C2(CCCC2)NC(=O)[CH](C
    C3CCCCC3)NCC(O)=O)cn1; NC(=N)c1ccc(CNC(=
    O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(O)
    =O)cn1; O=C(O)CNC(C(=O)NC2(C(=O)NCc1cnc(
    C(=[N@H])N)cc1)CCCC2)CC3CCCCC3; [H]N=C(c
    1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)C(CC3CCCC
    C3)NCC(=O)O)N; [H]/N=C(\c1ccc(cn1)CNC(=O
    )C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)
    O)/N    		 N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE
    30089 N13
    ZINC000098209201    		 2 C25 H18 F N7 O InChI=1S/C25H18FN7O/c26-1
    5-4-3-5-16(11-15)27-23(34
    )13-17-12-21(31-30-17)14-
    8-9-18-22(10-14)32-33-24(
    18)25-28-19-6-1-2-7-20(19
    )29-25/h1-12H,13H2,(H,27,
    34)(H,28,29)(H,30,31)(H,3
    2,33);
    XLSVGNQXTNEETK-UHFFFAOYSA-N    		 Fc1cccc(NC(=O)Cc2[nH]nc(c2)c3ccc4c([nH]n
    c4c5[nH]c6ccccc6n5)c3)c1; c1ccc2c(c1)[nH
    ]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=
    O)Nc6cccc(c6)F; Fc1cccc(c1)NC(=O)Cc2cc(n
    n2)c6cc5nnc(c4nc3ccccc3n4)c5cc6    		 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide
    30090 N14
    CHEMBL4578267    		 1 C23 H29 F N8 InChI=1S/C23H29FN8/c1-16-
    5-3-4-8-32-22(16)18(14-27
    -32)21-19(24)15-26-23(29-
    21)28-20-7-6-17(13-25-20)
    31-11-9-30(2)10-12-31/h6-
    7,13-16H,3-5,8-12H2,1-2H3
    ,(H,25,26,28,29)/t16-/m0/
    s1;
    UHCMUGYUWQCODZ-INIZCTEOSA-N    		 CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N
    5CCN(CC5)C)F; C[C@H]1CCCCn2c1c(cn2)c3c(c
    nc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F; C[CH]1CC
    CCn2ncc(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3
    F)c12; C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(c
    n3)N4CCN(CC4)C)F)C(C5)C; C[C@H]1CCCCn2nc
    c(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3F)c12    		 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
    30091 N15
    ZINC000098209202    		 4 C24 H25 N7 O InChI=1S/C24H25N7O/c1-15(
    2)9-10-25-22(32)14-31-13-
    17(12-26-31)16-7-8-18-21(
    11-16)29-30-23(18)24-27-1
    9-5-3-4-6-20(19)28-24/h3-
    8,11-13,15H,9-10,14H2,1-2
    H3,(H,25,32)(H,27,28)(H,2
    9,30);
    MBGGBSBQBVZBHN-UHFFFAOYSA-N    		 CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc
    3c4[nH]c5ccccc5n4; CC(C)CCNC(=O)Cn1cc(cn
    1)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2; O=
    C(NCCC(C)C)Cn5ncc(c1ccc2c(c1)nnc2c4nc3cc
    ccc3n4)c5    		 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide
    30092 N16
    ZINC000003873948    		 2 C19 H18 N2 O2 InChI=1S/C19H18N2O2/c1-13
    (20-15-10-6-3-7-11-15)17-
    18(22)16(21-19(17)23)12-1
    4-8-4-2-5-9-14/h2-11,16,2
    0H,12H2,1H3,(H,21,23)/b17
    -13-/t16-/m0/s1;
    KWSXUGYAGMSUTN-MUBYSKIDSA-N    		 CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3;
    CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=
    O; C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)
    /Nc3ccccc3; O=C2C(=C(\Nc1ccccc1)C)/C(=O)
    C(N2)Cc3ccccc3; C\C(Nc1ccccc1)=C/2C(=O)N
    [C@@H](Cc3ccccc3)C/2=O    		 (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
    30093 N17
    CHEMBL3931843
    ZINC000584905784    		 1 C22 H18 N4 O2 InChI=1S/C22H18N4O2/c1-16
    -14-26(15-24-16)19-4-2-3-
    17(13-19)22(27)25-18-5-7-
    20(8-6-18)28-21-9-11-23-1
    2-10-21/h2-15H,1H3,(H,25,
    27);
    TXKSFDQJSFSHRB-UHFFFAOYSA-N    		 O=C(Nc2ccc(Oc1ccncc1)cc2)c3cccc(c3)n4cc(
    nc4)C; Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(c
    c3)Oc4ccncc4; Cc1cn(cn1)c2cccc(c2)C(=O)N
    c3ccc(Oc4ccncc4)cc3    		 3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide
    30094 N18 2 C9 H11 N3 O5 InChI=1S/C9H11N3O5/c1-17-
    7(14)2-3-10-8(15)5-4-6(13
    )12-9(16)11-5/h4H,2-3H2,1
    H3,(H,10,15)(H2,11,12,13,
    16);
    OQKCUQQTEDLJJP-UHFFFAOYSA-N    		 COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1; N(CCC(
    OC)=O)C(C=1NC(=O)NC(C=1)=O)=O    		 methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
    30095 N19
    CHEMBL4160707    		 2 C18 H21 N3 O3 S InChI=1S/C18H21N3O3S/c19-
    25(23,24)17-8-6-15(7-9-17
    )18(22)21-11-10-20-16(13-
    21)12-14-4-2-1-3-5-14/h1-
    9,16,20H,10-13H2,(H2,19,2
    3,24)/t16-/m1/s1;
    PUFUKRGYJIGJDK-MRXNPFEDSA-N    		 c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3
    )S(=O)(=O)N; c1ccc(cc1)CC2CN(CCN2)C(=O)c
    3ccc(cc3)S(=O)(=O)N; N[S](=O)(=O)c1ccc(c
    c1)C(=O)N2CCN[CH](C2)Cc3ccccc3; N[S](=O)
    (=O)c1ccc(cc1)C(=O)N2CCN[C@@H](C2)Cc3ccc
    cc3    		 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
    30096 N1A
    CHEMBL4440980    		 1 C23 H29 F N8 InChI=1S/C23H29FN8/c1-16-
    5-3-4-8-32-22(16)18(14-27
    -32)21-19(24)15-26-23(29-
    21)28-20-7-6-17(13-25-20)
    31-11-9-30(2)10-12-31/h6-
    7,13-16H,3-5,8-12H2,1-2H3
    ,(H,25,26,28,29)/t16-/m1/
    s1;
    UHCMUGYUWQCODZ-MRXNPFEDSA-N    		 CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N
    5CCN(CC5)C)F; C[C@@H]1CCCCn2ncc(c3nc(Nc4
    ccc(cn4)N5CCN(C)CC5)ncc3F)c12; C[C@@H]1C
    CCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN
    (CC5)C)F; C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3c
    cc(cn3)N4CCN(CC4)C)C(C)CC5; C[CH]1CCCCn2
    ncc(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3F)c1
    2    		 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
    30097 N1B 4 C16 H14 B9 N O4 InChI=1S/C16H14B9NO4/c1-8
    -10(7-13(27)30-3)11-6-9(2
    9-2)4-5-12(11)26(8)14(28)
    16-15-17-19-18(16)22(16)2
    0(15,16)21(15,17)23(17,19
    )24(18,19,22)25(20,21,22)
    23/h4-6H,7H2,1-3H3;
    FOWIJUKMQDHTEE-UHFFFAOYSA-N    		 B123B45B167B289B31B823B966B744B622C45C32
    1C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C; B1
    23B45B167B289B31B823B966B744B622[C@@]45C
    321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C;
    COC(=O)Cc1c(C)n(C(=O)[C+]234[B-]56[B+]78
    [B-]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58
    %15[B]36%16[B]%12%14%15[B]4%11%13%16)c%1
    7ccc(OC)cc1%17; COC(=O)Cc1c(C)n(C(=O)[C+
    ]234[B-]56[B+]78[B-]9%10[C@@]2%11[B]9%12
    %13[B]7%10%14[B]58%15[B]36%16[B]%12%14%1
    5[B]4%11%13%16)c%17ccc(OC)cc1%17    		 (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
    30098 N1C 3 C15 H20 N4 O14 P2 InChI=1S/C15H20N4O14P2/c2
    0-8-5-1-29-34(25,26)33-35
    (27,28)30-2-6-9(21)11(23)
    15(32-6)19-4-17-12-7(13(1
    9)24)16-3-18(12)14(31-5)1
    0(8)22/h3-6,8-11,14-15,20
    -23H,1-2H2,(H,25,26)(H,27
    ,28)/t5?,6-,8-,9-,10-,11-
    ,14-,15-/m1/s1;
    REBZYOYBILSKBL-ATYUDWGKSA-N    		 O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P]
    (O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5
    C(=O)[N]2C=Nc45; c1nc2c3n1C4C(C(C(O4)COP
    (=O)(OP(=O)(OCC5C(C(C(O5)N(C2=O)C=N3)O)O
    )O)O)O)O; O=C2N3C=Nc1n(cnc12)C5OC(COP(=O
    )(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O; c1n
    c2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[
    P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N
    (C2=O)C=N3)O)O)O)O)O)O; O[C@H]1[C@@H](O)
    [C@H]2O[C@@H]1CO[P](O)(=O)O[P](O)(=O)OC[
    C@@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5C(=O
    )[N@]2C=Nc45    		 N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE
    30099 N1D
    CHEMBL3769979
    ZINC000231374705    		 2 C22 H25 N3 O6 S2 InChI=1S/C22H25N3O6S2/c1-
    23-13-16(14-5-6-17(30-2)1
    8(11-14)31-3)20-15(21(23)
    26)12-19(32-20)22(27)24-7
    -9-25(10-8-24)33(4,28)29/
    h5-6,11-13H,7-10H2,1-4H3;
    BEIFGZXXCPXAAY-UHFFFAOYSA-N    		 CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O
    )C)C1=O)c4ccc(c(c4)OC)OC; COc1ccc(cc1OC)
    C2=CN(C)C(=O)c3cc(sc23)C(=O)N4CCN(CC4)[S
    ](C)(=O)=O    		 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one
    30100 N1E
    CHEMBL1596204
    ZINC000000161652    		 2 C11 H9 N O2 InChI=1S/C11H9NO2/c1-14-1
    1(13)9-4-5-10-8(7-9)3-2-6
    -12-10/h2-7H,1H3;
    XSRWQTDEIOHXSL-UHFFFAOYSA-N    		 COC(=O)c1ccc2c(c1)cccn2; COC(=O)c1ccc2nc
    ccc2c1    		 methyl quinoline-6-carboxylate
    30101 N1F 1 C18 H20 Cl N5 O2 InChI=1S/C18H20ClN5O2/c1-
    13(25)20-15-4-2-14(3-5-15
    )12-18(26)24-10-8-23(9-11
    -24)17-7-6-16(19)21-22-17
    /h2-7H,8-12H2,1H3,(H,20,2
    5);
    LCPRHOCWQQSJED-UHFFFAOYSA-N    		 O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(C
    l)nn1; CC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)
    c3ccc(nn3)Cl; CC(=O)Nc1ccc(CC(=O)N2CCN(C
    C2)c3ccc(Cl)nn3)cc1    		 N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide
    30102 N1G
    CHEMBL5171499    		 2 C17 H13 N7 O InChI=1S/C17H13N7O/c25-16
    (18-17-19-22-23-20-17)14-
    11-15(12-7-3-1-4-8-12)24(
    21-14)13-9-5-2-6-10-13/h1
    -11H,(H2,18,19,20,22,23,2
    5);
    QVLVNOAMAMUIJM-UHFFFAOYSA-N    		 C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4)
    =O; c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[
    nH]nnn4; O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccc
    cc3)c4ccccc4    		 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide
    30103 N1H
    CHEMBL377956
    DB08232
    ZINC000014953807    		 1 C21 H16 N4 O5 InChI=1S/C21H16N4O5/c22-1
    9-5-4-16-18(24-19)10-17(2
    3-16)15-7-11(8-20(26)27)6
    -14(21(15)28)12-2-1-3-13(
    9-12)25(29)30/h1-7,9-10,2
    3,28H,8H2,(H2,22,24)(H,26
    ,27);
    BVBGZXXLVHYBKI-UHFFFAOYSA-N    		 [O-][N+](=O)c1cccc(c1)c4cc(cc(c3cc2nc(cc
    c2n3)N)c4O)CC(=O)O; Nc1ccc2[nH]c(cc2n1)c
    3cc(CC(O)=O)cc(c3O)c4cccc(c4)[N+]([O-])=
    O; c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c
    3cc4c([nH]3)ccc(n4)N)CC(=O)O    		 {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID
    30104 N1I
    CHEMBL3247891
    ZINC000169318035    		 1 C10 H8 Cl2 N4 O2 InChI=1S/C10H8Cl2N4O2/c11
    -7-3-6(4-8(12)5-7)10-13-1
    5-16(14-10)2-1-9(17)18/h3
    -5H,1-2H2,(H,17,18);
    YMGWXPAFPWBSIZ-UHFFFAOYSA-N    		 c1c(cc(cc1Cl)Cl)c2nnn(n2)CCC(=O)O; OC(=O
    )CCn1nc(nn1)c1cc(Cl)cc(Cl)c1; OC(=O)CCn1
    nnc(n1)c2cc(Cl)cc(Cl)c2    		 3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid
    30105 N1J
    CHEMBL4545456    		 1 C25 H31 F N8 InChI=1S/C25H31FN8/c1-3-3
    2-13-25(14-32)15-33(16-25
    )18-7-8-21(27-10-18)30-24
    -28-12-20(26)22(31-24)19-
    11-29-34-9-5-4-6-17(2)23(
    19)34/h7-8,10-12,17H,3-6,
    9,13-16H2,1-2H3,(H,27,28,
    30,31)/t17-/m1/s1;
    KMRYRPPWJDYHAL-QGZVFWFLSA-N    		 CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c
    5cnn6c5C(CCCC6)C)F; C6C1(CN(C1)c5ccc(Nc4
    ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC;
    CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c
    5cnn6c5[C@@H](CCCC6)C)F; CCN1CC2(C1)CN(C
    2)c3ccc(Nc4ncc(F)c(n4)c5cnn6CCCC[CH](C)c
    56)nc3; CCN1CC2(C1)CN(C2)c3ccc(Nc4ncc(F)
    c(n4)c5cnn6CCCC[C@@H](C)c56)nc3    		 N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
    30106 N1K 2 C15 H19 N7 O InChI=1S/C15H19N7O/c1-3-4
    -5-9-22-10-7-11-12(6-8-16
    -13(11)22)14(23)17-15-18-
    19-20-21(15)2/h6-8,10H,3-
    5,9H2,1-2H3,(H,17,18,20,2
    3);
    RKQQAUKWARWVAN-UHFFFAOYSA-N    		 CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C; CCCC
    Cn1ccc2c1nccc2C(=O)Nc3nnnn3C    		 N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide
    30107 N1L
    ZINC000003652695    		 3 C6 H11 N O6 InChI=1S/C6H11NO6/c7-1-2(
    8)3(9)4(5(10)11)13-6(1)12
    /h1-4,6,8-9,12H,7H2,(H,10
    ,11)/t1-,2-,3+,4+,6-/m1/s
    1;
    CRIPFXSBMSGPKB-LVBGKUAWSA-N    		 N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;
    N[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1
    O)C(O)=O; O=C(O)C1OC(O)C(N)C(O)C1O; C1(C
    (C(C(OC1O)C(=O)O)O)O)N; [C@H]1([C@H]([C@
    @H]([C@H](O[C@H]1O)C(=O)O)O)O)N    		 2-amino-2-deoxy-beta-D-glucopyranuronic acid;
    2-amino-2-deoxy-beta-D-glucuronic acid;
    2-amino-2-deoxy-D-glucuronic acid;
    2-amino-2-deoxy-glucuronic acid
    30108 N1M
    ZINC000000173184    		 2 C8 H8 I N O InChI=1S/C8H8INO/c1-10-8(
    11)6-4-2-3-5-7(6)9/h2-5H,
    1H3,(H,10,11);
    XVZYFJIGUQHFSR-UHFFFAOYSA-N    		 CNC(=O)c1ccccc1I 2-iodo-N-methylbenzamide
    30109 N1N
    CHEMBL4854181    		 3 C21 H15 Cl2 N3 O4 S InChI=1S/C21H15Cl2N3O4S/c
    1-10-15(22)16(23)18(24-10
    )19(27)26-21-25-17-13(30-
    9-11-5-3-2-4-6-11)7-12(20
    (28)29)8-14(17)31-21/h2-8
    ,24H,9H2,1H3,(H,28,29)(H,
    25,26,27);
    QJJVAUMJKWWKTD-UHFFFAOYSA-N    		 Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=
    O)O)OCc4ccccc4)Cl)Cl; Cc1[nH]c(C(=O)Nc2s
    c3cc(cc(OCc4ccccc4)c3n2)C(O)=O)c(Cl)c1Cl    		 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid
    30110 N1P
    CHEMBL1449933
    ZINC000001693429    		 1 C3 H7 N O2 InChI=1S/C3H7NO2/c1-2-3-4
    (5)6/h2-3H2,1H3;
    JSZOAYXJRCEYSX-UHFFFAOYSA-N    		 CCC[N+](=O)[O-]; CCC[N+]([O-])=O; [O-][N
    +](=O)CCC    		 1-nitropropane
    30111 N1Q
    CHEMBL3735506
    ZINC000205464968    		 1 C23 H26 F2 N4 O2 InChI=1S/C23H26F2N4O2/c1-
    31-12-11-29-9-7-15(8-10-2
    9)14-26-23(30)22-18-13-16
    (5-6-20(18)27-28-22)17-3-
    2-4-19(24)21(17)25/h2-6,1
    3,15H,7-12,14H2,1H3,(H,26
    ,30)(H,27,28);
    QCLXNOBXQUWUEW-UHFFFAOYSA-N    		 COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c
    4cccc(c4F)F; COCCN1CCC(CC1)CNC(=O)c2n[nH
    ]c3ccc(cc23)c4cccc(F)c4F    		 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
    30112 N1R 1 C20 H28 Cl2 N2 O3 InChI=1S/C20H28Cl2N2O3/c1
    -20(2,27-17-7-5-16(22)6-8
    -17)19(26)24-12-9-15(10-1
    3-24)4-3-11-23-18(25)14-2
    1/h5-8,15H,3-4,9-14H2,1-2
    H3,(H,23,25);
    DKMHFOFPXSXLSB-UHFFFAOYSA-N    		 CC(C)(C(=O)N1CCC(CC1)CCCNC(=O)CCl)Oc2ccc
    (cc2)Cl; CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(
    CCCNC(=O)CCl)CC2    		 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
    30113 N1S
    CHEMBL5185759
    ZINC000013507234    		 0 C15 H26 O InChI=1S/C15H26O/c1-13(2)
    7-5-8-14(3)9-6-10-15(4)11
    -12-16/h7,9,11,16H,5-6,8,
    10,12H2,1-4H3/b14-9+,15-1
    1-;
    CRDAMVZIKSXKFV-PVMFERMNSA-N    		 CC(C)=CCC\C(C)=C\CC\C(C)=C/CO; CC(=CCCC(
    =CCCC(=CCO)C)C)C; CC(=CCC/C(=C/CC/C(=C\C
    O)/C)/C)C; CC(C)=CCCC(C)=CCCC(C)=CCO; C\
    C(=C\CC\C(=C\CC\C(=C/CO)C)C)C    		 (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;
    cis,trans-Farnesol
    30114 N1T
    DB01658    		 4 C13 H19 N3 O7 P2 S InChI=1S/C13H19N3O7P2S/c1
    -9-3-4-11(13(14)15-9)7-16
    -8-26-12(10(16)2)5-6-22-2
    5(20,21)23-24(17,18)19/h3
    -4,8H,5-7H2,1-2H3,(H4-,14
    ,15,17,18,19,20,21);
    JHNXLHRDUXBCJW-UHFFFAOYSA-N    		 Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(
    O)O[P@@](=O)(O)[O-]; Cc1ccc(c(n1)N)C[n+]
    2csc(c2C)CCOP(=O)(O)OP(=O)(O)[O-]; Cc1cc
    c(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O
    )c2C)c(N)n1; Cc1ccc(C[n+]2csc(CCO[P@@](O
    )(=O)O[P](O)([O-])=O)c2C)c(N)n1    		 1'-DEAZO-THIAMIN DIPHOSPHATE
    30115 N1U 1 C18 H18 Br N O4 InChI=1S/C18H18BrNO4/c1-1
    0-6-12(19)8-13-16(10)20(1
    8(22)17(13)21)9-11-4-5-14
    (23-2)15(7-11)24-3/h4-8,1
    7,21H,9H2,1-3H3/t17-/m0/s
    1;
    QMCANAKFKPPQKX-KRWDZBQOSA-N    		 COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O
    ; Cc1cc(cc2c1N(C(=O)[C@H]2O)Cc3ccc(c(c3)
    OC)OC)Br; COc1ccc(CN2C(=O)[CH](O)c3cc(Br
    )cc(C)c23)cc1OC; COc1ccc(CN2C(=O)[C@@H](
    O)c3cc(Br)cc(C)c23)cc1OC; Cc1cc(cc2c1N(C
    (=O)C2O)Cc3ccc(c(c3)OC)OC)Br    		 (3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
    30116 N1V
    CHEMBL4461328    		 1 C28 H35 N O3 S InChI=1S/C28H35NO3S/c1-3-
    4-5-8-17-24-20-25-26(32-3
    3(29,30)31)18-19-28(25,21
    (2)22-13-9-6-10-14-22)27(
    24)23-15-11-7-12-16-23/h6
    -7,9-16,25-26H,2-5,8,17-2
    0H2,1H3,(H2,29,30,31)/t25
    -,26-,28-/m0/s1;
    TUITYPXKFZGOFR-NSVAZKTRSA-N    		 c1c(cccc1)C=3C2(C(C(OS(N)(=O)=O)CC2)CC=3
    CCCCCC)\C(=C)c4ccccc4; CCCCCCC1=C(c2cccc
    c2)[C@@]3(CC[C@H](O[S](N)(=O)=O)[C@@H]3C
    1)C(=C)c4ccccc4; CCCCCCC1=C(C2(CCC(C2C1)
    OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4; CCCC
    CCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(
    =O)N)C(=C)c3ccccc3)c4ccccc4; CCCCCCC1=C(
    c2ccccc2)[C]3(CC[CH](O[S](N)(=O)=O)[CH]3
    C1)C(=C)c4ccccc4    		 (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate
    30117 N1W 1 C30 H41 N7 O7 InChI=1S/C30H41N7O7/c1-17
    (2)24(26(40)33-20(16-38)1
    4-18-6-4-3-5-7-18)36-27(4
    1)25(22-12-13-32-29(31)34
    -22)37-30(44)35-23(28(42)
    43)15-19-8-10-21(39)11-9-
    19/h3-11,17,20,22-25,38-3
    9H,12-16H2,1-2H3,(H,33,40
    )(H,36,41)(H,42,43)(H3,31
    ,32,34)(H2,35,37,44)/t20-
    ,22-,23+,24-,25-/m0/s1;
    JRKYEAYRXQTOFS-JRBASJLZSA-N    		 CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(C2CC
    N=C(N2)N)NC(=O)NC(Cc3ccc(cc3)O)C(=O)O; C
    C(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(
    =O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](
    Cc3ccc(cc3)O)C(=O)O; CC(C)[C@H](NC(=O)[C
    @@H](NC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)[C
    @@H]2CCN=C(N)N2)C(=O)N[C@H](CO)Cc3ccccc3
    ; CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1cc
    c(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH
    ](CO)Cc3ccccc3    		 (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
    30118 N1X 2 C10 H14 O2 InChI=1S/C10H14O2/c1-8-5-
    6-10(12-8)9-4-2-3-7-11-9/
    h5-6,9H,2-4,7H2,1H3/t9-/m
    0/s1;
    LFPRQMKTEKLYDA-VIFPVBQESA-N    		 Cc1oc(cc1)C1CCCCO1; Cc1ccc(o1)[C@@H]2CCC
    CO2; Cc1oc(cc1)[C@@H]2CCCCO2; Cc1ccc(o1)
    C2CCCCO2; Cc1oc(cc1)[CH]2CCCCO2    		 (2S)-2-(5-methylfuran-2-yl)oxane
    30119 N1Y
    CHEMBL1391421
    ZINC000012733297    		 20 C10 H11 Cl N4 O2 InChI=1S/C10H11ClN4O2/c11
    -9-2-1-8(5-13-9)6-14-4-3-
    12-10(14)7-15(16)17/h1-2,
    5,7,12H,3-4,6H2/b10-7+;
    ALNDHUQPXHHNON-JXMROGBWSA-N    		 [O-][N+](=O)C=C1NCCN1Cc2ccc(Cl)nc2; [O-]
    [N+](=O)/C=C1\NCCN1Cc2cnc(Cl)cc2; [O-][N
    +](=O)\C=C\1NCCN\1Cc2ccc(Cl)nc2; c1cc(nc
    c1CN\2CCN/C2=C\[N+](=O)[O-])Cl; c1cc(ncc
    1CN2CCNC2=C[N+](=O)[O-])Cl    		 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
    30120 N1Z
    CHEMBL2338360    		 1 C13 H26 N2 O7 P2 InChI=1S/C13H26N2O7P2/c1-
    2-3-4-5-6-7-8-14-9-10-15(
    12-14)11-13(16,23(17,18)1
    9)24(20,21)22/h9-10,12,16
    H,2-8,11H2,1H3,(H3-,17,18
    ,19,20,21,22);
    AZKPHAACXOXPFR-UHFFFAOYSA-N    		 CCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O
    )(O)[O-]; [O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1
    cc[n+](c1)CCCCCCCC; CCCCCCCC[n+]1ccn(c1)
    C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-]; CCCCCC
    CC[n+]1ccn(C[C](O)([P](O)(O)=O)[P](O)([O
    -])=O)c1; CCCCCCCC[n+]1ccn(C[C@@](O)([P]
    (O)(O)=O)[P](O)([O-])=O)c1    		 hydrogen [(1S)-1-hydroxy-2-(3-octyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    30121 N20
    CHEMBL340813
    DB08233
    ZINC000020149015    		 2 C18 H21 N5 O2 InChI=1S/C18H21N5O2/c24-1
    4-8-6-13(7-9-14)21-18-22-
    16-15(19-11-20-16)17(23-1
    8)25-10-12-4-2-1-3-5-12/h
    6-9,11-12,24H,1-5,10H2,(H
    2,19,20,21,22,23);
    RFSDQDHHBKYQOD-UHFFFAOYSA-N    		 Oc1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1
    ; n2c1c(ncn1)c(nc2Nc3ccc(O)cc3)OCC4CCCCC
    4; c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[n
    H]3)O    		 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE
    30122 N21
    CHEMBL1928360
    ZINC000073220732    		 1 C22 H20 N2 O9 S2 InChI=1S/C22H20N2O9S2/c25
    -19(26)10-9-17(21(28)29)2
    4-35(31,32)16-7-3-14(4-8-
    16)12-33-15-5-1-13(2-6-15
    )11-18-20(27)23-22(30)34-
    18/h1-8,11,17,24H,9-10,12
    H2,(H,25,26)(H,28,29)(H,2
    3,27,30)/b18-11-/t17-/m1/
    s1;
    BZCXCLVFYJNKLW-LVSMMTLPSA-N    		 OC(=O)CC[CH](N[S](=O)(=O)c1ccc(COc2ccc(c
    c2)C=C3SC(=O)NC3=O)cc1)C(O)=O; OC(=O)CC[
    C@@H](N[S](=O)(=O)c1ccc(COc2ccc(cc2)\C=C
    3/SC(=O)NC3=O)cc1)C(O)=O; c1cc(ccc1COc2c
    cc(cc2)C=C3C(=O)NC(=O)S3)S(=O)(=O)NC(CCC
    (=O)O)C(=O)O; c1cc(ccc1COc2ccc(cc2)\C=C/
    3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O
    )C(=O)O    		 (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid
    30123 N22
    CHEMBL485961
    DB08234    		 10 C17 H20 N4 O2 InChI=1S/C17H20N4O2/c1-4-
    14-13(16(18)21-17(19)20-1
    4)7-5-6-11-10-12(22-2)8-9
    -15(11)23-3/h8-10H,4,6H2,
    1-3H3,(H4,18,19,20,21);
    NNFDQABYXZBKRK-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC; n2c(
    c(C#CCc1cc(OC)ccc1OC)c(nc2N)N)CC; CCc1c(
    c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC    		 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
    30124 N23
    CHEMBL1234574
    DB08235
    ZINC000000140471    		 2 C16 H16 N2 O S InChI=1S/C16H16N2OS/c1-11
    -12(13-5-2-3-6-14(13)18-1
    1)8-9-17-16(19)15-7-4-10-
    20-15/h2-7,10,18H,8-9H2,1
    H3,(H,17,19);
    ACAKNPKRLPMONU-UHFFFAOYSA-N    		 Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3; O=C(
    NCCc2c1ccccc1nc2C)c3sccc3; Cc1[nH]c2cccc
    c2c1CCNC(=O)c3sccc3    		 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
    30125 N24
    DB08236
    ZINC000002949834    		 1 C15 H11 Br Cl N O2 S InChI=1S/C15H11BrClNO2S/c
    16-10-3-1-2-9(6-10)15-18(
    14(20)8-21-15)12-7-11(17)
    4-5-13(12)19/h1-7,15,19H,
    8H2/t15-/m0/s1;
    KEGQNJITMFBVAC-HNNXBMFYSA-N    		 Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3;
    Oc1ccc(Cl)cc1N2[C@@H](SCC2=O)c3cccc(Br)
    c3; c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(
    ccc3O)Cl; c1cc(cc(c1)Br)C2N(C(=O)CS2)c3c
    c(ccc3O)Cl; Clc3cc(N2C(=O)CSC2c1cc(Br)cc
    c1)c(O)cc3    		 (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
    30126 N25
    CHEMBL115727
    ZINC000003873570    		 1 C21 H27 N3 O8 S2 InChI=1S/C21H27N3O8S2/c1-
    21(2)13-23(33(27,28)17-9-
    5-15(31-3)6-10-17)20(19(2
    5)22-26)24(14-21)34(29,30
    )18-11-7-16(32-4)8-12-18/
    h5-12,20,26H,13-14H2,1-4H
    3,(H,22,25);
    MCSWSPNUKWMZHM-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(OC)cc1)N2C(N(CC(C)(C2)C)S(
    =O)(=O)c3ccc(OC)cc3)C(=O)NO; CC1(CN(C(N(
    C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=
    O)c3ccc(cc3)OC)C; COc1ccc(cc1)[S](=O)(=O
    )N2CC(C)(C)CN(C2C(=O)NO)[S](=O)(=O)c3ccc
    (OC)cc3; CC1(C[N@](C([N@](C1)S(=O)(=O)c2
    ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC
    )C    		 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE
    30127 N26
    CHEMBL4302816    		 4 C10 H10 O8 P2 InChI=1S/C10H10O8P2/c11-1
    9(12,13)17-9-3-1-7-5-10(1
    8-20(14,15)16)4-2-8(7)6-9
    /h1-6H,(H2,11,12,13)(H2,1
    4,15,16);
    WNOOOUFEMHHAIT-UHFFFAOYSA-N    		 O[P](O)(=O)Oc1ccc2cc(O[P](O)(O)=O)ccc2c1
    ; O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O
    ; c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O    		 naphthalene-2,6-diyl bis[dihydrogen (phosphate)]
    30128 N27
    CHEMBL4559668    		 1 C30 H37 N O InChI=1S/C30H37NO/c1-4-5-
    6-9-18-26-21-27-28(31-23(
    3)32)19-20-30(27,22(2)24-
    14-10-7-11-15-24)29(26)25
    -16-12-8-13-17-25/h7-8,10
    -17,27-28H,2,4-6,9,18-21H
    2,1,3H3,(H,31,32)/t27-,28
    -,30-/m0/s1;
    JPBGUPBXHQIWOB-XEVVZDEMSA-N    		 CCCCCCC1=C(C2(CCC(C2C1)NC(=O)C)C(=C)c3cc
    ccc3)c4ccccc4; CCCCCCC1=C(c2ccccc2)[C]3(
    CC[CH](NC(C)=O)[CH]3C1)C(=C)c4ccccc4; C=
    C(\C21C(C(NC(C)=O)CC1)CC(CCCCCC)=C2c3ccc
    cc3)c4ccccc4; CCCCCCC1=C([C@@]2(CC[C@@H]
    ([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc
    4; CCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@H](NC
    (C)=O)[C@@H]3C1)C(=C)c4ccccc4    		 N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide
    30129 N28
    CHEMBL4777296    		 2 C20 H26 N4 O4 InChI=1S/C20H26N4O4/c21-1
    3-15-5-9-18(10-6-15)22-20
    (27)24(11-1-2-12-25)14-16
    -3-7-17(8-4-16)19(26)23-2
    8/h3-10,25,28H,1-2,11-14,
    21H2,(H,22,27)(H,23,26);
    VTRGFHYHEAEHGS-UHFFFAOYSA-N    		 NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO
    )cc1; c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(c
    c2)C(=O)NO    		 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide
    30130 N29
    ZINC000005428039    		 3 C7 H10 N2 O2 InChI=1S/C7H10N2O2/c1-3-7
    (10)8-6-4-5(2)11-9-6/h4H,
    3H2,1-2H3,(H,8,9,10);
    VRJWVNPGPFJWQQ-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(on1)C; CCC(=O)Nc1cc(C)on1 ~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
    30131 N2A
    CHEMBL1171504
    ZINC000058548709    		 2 C34 H33 Cl2 F N6 O3 InChI=1S/C34H33Cl2FN6O3/c
    1-40-30-10-6-25(35)18-31(
    30)43(34(40)46)27-11-15-4
    1(16-12-27)13-2-14-42-21-
    38-20-28(33(42)45)23-5-9-
    29(36)24(17-23)19-39-32(4
    4)22-3-7-26(37)8-4-22/h3-
    10,17-18,20-21,27H,2,11-1
    6,19H2,1H3,(H,39,44);
    UUSUCXDJVSXCBL-UHFFFAOYSA-N    		 Fc1ccc(cc1)C(=O)NCc2c(Cl)ccc(c2)C3=CN=CN
    (C3=O)CCCN6CCC(N5c4cc(Cl)ccc4N(C5=O)C)CC
    6; CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=N
    C=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)C
    l)Cl; CN1C(=O)N(C2CCN(CCCN3C=NC=C(C3=O)c
    4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc
    (Cl)ccc16    		 N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide
    30132 N2B 0 C8 H10 InChI=1S/C8H10/c1-2-8-6-4
    -3-5-7-8/h3-7H,2H2,1H3;
    YNQLUTRBYVCPMQ-UHFFFAOYSA-N    		 c1(ccccc1)CC; CCc1ccccc1 ETHYLBENZENE
    30133 N2C 0 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-6-4
    (3-9-2)5(7)8/h4,6H,3H2,1-
    2H3,(H,7,8)/t4-/m0/s1;
    WQSNCKZPJSHACB-BYPYZUCNSA-N    		 CNC(CSC)C(=O)O; CN[C@@H](CSC)C(O)=O; CN[
    CH](CSC)C(O)=O; CN[C@@H](CSC)C(=O)O; O=C
    (O)C(NC)CSC    		 N,S-DIMETHYLCYSTEINE
    30134 N2D
    CHEMBL1171314
    ZINC000058547796    		 2 C34 H34 Cl2 N6 O3 InChI=1S/C34H34Cl2N6O3/c1
    -39-30-12-9-26(35)21-31(3
    0)42(34(39)45)27-14-18-40
    (19-15-27)16-5-17-41-32(4
    3)13-11-29(38-41)24-8-10-
    28(36)25(20-24)22-37-33(4
    4)23-6-3-2-4-7-23/h2-4,6-
    13,20-21,27H,5,14-19,22H2
    ,1H3,(H,37,44);
    ZJXORVFCSQEKCZ-UHFFFAOYSA-N    		 CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C
    =CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl
    ; CN1C(=O)N(C2CCN(CCCN3N=C(C=CC3=O)c4ccc
    (Cl)c(CNC(=O)c5ccccc5)c4)CC2)c6cc(Cl)ccc
    16; Clc1ccc2c(c1)N(C(=O)N2C)C6CCN(CCCN3N
    =C(C=CC3=O)c4ccc(Cl)c(c4)CNC(=O)c5ccccc5
    )CC6    		 N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide
    30135 N2E
    CHEMBL4748352    		 7 C23 H18 F N7 O2 InChI=1S/C23H18FN7O2/c1-1
    2-5-4-8-25-19(12)15-10-26
    -23-29-21(30-31(23)11-15)
    17-9-16(6-7-18(17)24)28-2
    2(32)20-13(2)27-14(3)33-2
    0/h4-11H,1-3H3,(H,28,32);
    GNVVPYCWVLCWKV-UHFFFAOYSA-N    		 Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O
    )c5c(nc(o5)C)C; Cc1oc(c(C)n1)C(=O)Nc2ccc
    (F)c(c2)c3nn4cc(cnc4n3)c5ncccc5C    		 ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
    30136 N2F
    CHEMBL1698008
    ZINC000001860216    		 1 C11 H9 N O5 S InChI=1S/C11H9NO5S/c1-8-2
    -4-9(5-3-8)18(15,16)11-7-
    6-10(17-11)12(13)14/h2-7H
    ,1H3;
    GAUHIPWCDXOLCZ-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-
    ]; O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(c
    c2)C; Cc1ccc(cc1)[S](=O)(=O)c2oc(cc2)[N+
    ]([O-])=O    		 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran;
    NSC697923
    30137 N2G
    DB08237
    ZINC000053683033    		 0 C21 H22 N5 O7 P InChI=1S/C21H22N5O7P/c27-
    15-8-17(33-16(15)10-32-34
    (29,30)31)26-11-23-18-19(
    26)24-21(25-20(18)28)22-9
    -13-6-3-5-12-4-1-2-7-14(1
    2)13/h1-7,11,15-17,27H,8-
    10H2,(H2,29,30,31)(H2,22,
    24,25,28)/t15-,16+,17+/m0
    /s1;
    COMPKRGNHXOXMN-GVDBMIGSSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3C(=O)NC(=Nc23)NCc4cccc5ccccc45; c1ccc
    2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([
    C@H](O5)COP(=O)(O)O)O)C(=O)N3; c1ccc2c(c
    1)cccc2CNC3=Nc4c(ncn4C5CC(C(O5)COP(=O)(O
    )O)O)C(=O)N3; O=C3c4ncn(c4N=C(NCc2c1cccc
    c1ccc2)N3)C5OC(C(O)C5)COP(=O)(O)O; O[CH]
    1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC
    (=Nc23)NCc4cccc5ccccc45    		 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)
    30138 N2H
    ZINC000584905780    		 12 C5 H14 N2 O2 InChI=1S/C5H14N2O2/c6-3-1
    -2-4-7-5(8)9/h5,7-9H,1-4,
    6H2;
    JXQFUOSMIWOVKO-UHFFFAOYSA-N    		 NCCCCNC(O)O; C(CCNC(O)O)CN (4-azanylbutylamino)methanediol;
    N-(dihydroxymethyl)putrescine
    30139 N2I
    ZINC000095920624    		 2 C11 H9 N InChI=1S/C11H9N/c1-12-11-
    7-6-9-4-2-3-5-10(9)8-11/h
    2-8H,1H2;
    FGRABSHVUNBHIE-UHFFFAOYSA-N    		 C=Nc1ccc2ccccc2c1; N(=C)\c2ccc1c(cccc1)c
    2    		 N-(naphthalen-2-yl)methanimine
    30140 N2J
    CHEMBL4440757    		 1 C28 H36 N2 O2 S InChI=1S/C28H36N2O2S/c1-3
    -4-5-8-17-24-20-25-26(30-
    33(29,31)32)18-19-28(25,2
    1(2)22-13-9-6-10-14-22)27
    (24)23-15-11-7-12-16-23/h
    6-7,9-16,25-26,30H,2-5,8,
    17-20H2,1H3,(H2,29,31,32)
    /t25-,26-,28-/m0/s1;
    COQCBADNBTZWQG-NSVAZKTRSA-N    		 CCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@H](N[S](
    N)(=O)=O)[C@@H]3C1)C(=C)c4ccccc4; CCCCCC
    C1=C(C2(CCC(C2C1)NS(=O)(=O)N)C(=C)c3cccc
    c3)c4ccccc4; C3C1C(NS(N)(=O)=O)CCC1(\C(=
    C)c2ccccc2)C(=C3CCCCCC)c4ccccc4; CCCCCCC
    1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)
    N)C(=C)c3ccccc3)c4ccccc4; CCCCCCC1=C(c2c
    cccc2)[C]3(CC[CH](N[S](N)(=O)=O)[CH]3C1)
    C(=C)c4ccccc4    		 N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide
    30141 N2K
    CHEMBL3087809
    ZINC000103273841    		 2 C14 H21 F3 N2 O2 S InChI=1S/C14H21F3N2O2S/c1
    -3-19(4-2)10-9-18-22(20,2
    1)11-12-5-7-13(8-6-12)14(
    15,16)17/h5-8,18H,3-4,9-1
    1H2,1-2H3;
    UJMFKSSVUDLNIV-UHFFFAOYSA-N    		 CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F;
    CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F    		 ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
    30142 N2L 1 C47 H53 N7 O7 S InChI=1S/C47H53N7O7S/c55-
    46(51-62(58,59)37-10-12-4
    1(43(26-37)54(56)57)49-29
    -31-14-22-60-23-15-31)40-
    11-9-34(25-44(40)61-36-24
    -33-13-18-48-45(33)50-30-
    36)52-20-16-47(17-21-52)2
    7-35(28-47)53-19-3-6-42(5
    3)39-5-2-1-4-38(39)32-7-8
    -32/h1-2,4-5,9-13,18,24-2
    6,30-32,35,42,49H,3,6-8,1
    4-17,19-23,27-29H2,(H,48,
    50)(H,51,55)/t42-/m0/s1;
    IVXFXSGHRVGVIZ-WBCKFURZSA-N    		 c1ccc(c(c1)C2CC2)C3CCCN3C4CC5(C4)CCN(CC5
    )c6ccc(c(c6)Oc7cc8cc[nH]c8nc7)C(=O)NS(=O
    )(=O)c9ccc(c(c9)[N+](=O)[O-])NCC1CCOCC1;
    [O-][N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O)
    (=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)N6C
    CC7(CC6)CC(C7)N8CCC[C@H]8c9ccccc9C%10CC%
    10; c1ccc(c(c1)[C@@H]2CCCN2C3CC4(C3)CCN(
    CC4)c5ccc(c(c5)Oc6cc7cc[nH]c7nc6)C(=O)NS
    (=O)(=O)c8ccc(c(c8)[N+](=O)[O-])NCC9CCOC
    C9)C1CC1; [O-][N+](=O)c1cc(ccc1NCC2CCOCC
    2)[S](=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]c
    cc5c4)N6CCC7(CC6)CC(C7)N8CCC[CH]8c9ccccc
    9C%10CC%10    		 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
    30143 N2M
    CHEMBL1234578
    DB08238
    ZINC000001680645    		 2 C10 H9 N O3 S InChI=1S/C10H9NO3S/c11-10
    -3-1-2-7-6-8(15(12,13)14)
    4-5-9(7)10/h1-6H,11H2,(H,
    12,13,14);
    UWPJYQYRSWYIGZ-UHFFFAOYSA-N    		 Nc1cccc2cc(ccc12)[S](O)(=O)=O; O=S(=O)(O
    )c1ccc2c(c1)cccc2N; c1cc2cc(ccc2c(c1)N)S
    (=O)(=O)O    		 5-AMINO-NAPHTALENE-2-MONOSULFONATE
    30144 N2N 2 C26 H31 Cl2 N3 O8 Pt InChI=1S/C26H31N3O8.2ClH.
    Pt/c1-33-19-5-12(6-20(34-
    2)25(19)31)22-14-7-17-18(
    37-11-36-17)8-15(14)24(16
    -10-35-26(32)23(16)22)29-
    21(30)4-3-13(28)9-27;;;/h
    5-8,13,16,22-24,31H,3-4,9
    -11,27-28H2,1-2H3,(H,29,3
    0);2*1H;/q;;;+2/p-2/t13-,
    16+,22-,23+,24+;;;/m1.../
    s1;
    PTKKCRGGEZZAPV-BFZFYWOISA-L    		 COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)
    OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)(Cl)Cl)O
    CO4; COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[
    C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@
    @H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4; COc1c
    c(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C
    @@H](NC(=O)CC[C@H]4N|[Pt](|NC4)(Cl)Cl)c5
    cc6OCOc6cc25; COc1cc(cc(OC)c1O)[CH]2[CH]
    3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|N
    C4)(Cl)Cl)c5cc6OCOc6cc25; COc6cc(C4c1c(c
    c2c(c1)OCO2)C(NC(CCC3N[Pt](Cl)(Cl)NC3)=O
    )C5COC(C45)=O)cc(c6O)OC    		 dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
    30145 N2O
    CHEMBL1234579
    DB06690    		 25 N2 O InChI=1S/N2O/c1-2-3;
    GQPLMRYTRLFLPF-UHFFFAOYSA-N    		 [O-][N+]#N; N#[N+][O-] NITROUS OXIDE;
    NITROGEN OXIDE
    30146 N2P
    CHEMBL119296
    DB03854
    ZINC000001529253    		 29 C5 H14 N2 InChI=1S/C5H14N2/c6-4-2-1
    -3-5-7/h1-7H2;
    VHRGRCVQAFMJIZ-UHFFFAOYSA-N    		 NCCCCCN; C(CCN)CCN PENTANE-1,5-DIAMINE
    30147 N2Q
    ZINC000032501645    		 2 C8 H8 N2 O InChI=1S/C8H8N2O/c1-6-2-3
    -8(11-6)7-4-5-9-10-7/h2-5
    H,1H3,(H,9,10);
    ZIJASYNQNLPMPY-UHFFFAOYSA-N    		 Cc1ccc(o1)c1[NH]ncc1; Cc1ccc(o1)c2ccn[nH
    ]2; Cc1oc(cc1)c2[nH]ncc2    		 (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
    30148 N2R 2 C26 H31 Cl2 N3 O8 Pt InChI=1S/C26H31N3O8.2ClH.
    Pt/c1-33-19-5-12(6-20(34-
    2)25(19)31)22-14-7-17-18(
    37-11-36-17)8-15(14)24(16
    -10-35-26(32)23(16)22)29-
    21(30)4-3-13(28)9-27;;;/h
    5-8,13,16,22-24,31H,3-4,9
    -11,27-28H2,1-2H3,(H,29,3
    0);2*1H;/q;;;+2/p-2/t13-,
    16-,22+,23-,24-;;;/m0.../
    s1;
    PTKKCRGGEZZAPV-FTKFZVBUSA-L    		 COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)
    OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)(Cl)Cl)O
    CO4; COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[
    C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@
    H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4; COc1cc
    (cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@
    @H](NC(=O)CC[C@@H]4N|[Pt](|NC4)(Cl)Cl)c5
    cc6OCOc6cc25; COc1cc(cc(OC)c1O)[CH]2[CH]
    3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|N
    C4)(Cl)Cl)c5cc6OCOc6cc25; Cl[Pt]6(Cl)NCC
    (CCC(NC2c5c(C(c1cc(OC)c(c(c1)OC)O)C3C2CO
    C3=O)cc4OCOc4c5)=O)N6    		 dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
    30149 N2S 2 C26 H31 Cl N3 O8 Pt InChI=1S/C26H31N3O8.ClH.P
    t/c1-33-19-5-12(6-20(34-2
    )25(19)31)22-14-7-17-18(3
    7-11-36-17)8-15(14)24(16-
    10-35-26(32)23(16)22)29-2
    1(30)4-3-13(28)9-27;;/h5-
    8,13,16,22-24,31H,3-4,9-1
    1,27-28H2,1-2H3,(H,29,30)
    ;1H;/q;;+1/p-1/t13-,16-,2
    2+,23+,24+;;/m0../s1;
    UVMRTXMJNLJFNR-LCZKZCLKSA-M    		 COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H](
    [C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH
    2][Pt]([NH2]6)Cl)OCO4; COc1cc(cc(OC)c1O)
    [C@H]2[C@H]3[C@H](COC3=O)[C@H](NC(=O)CC[
    C@@H]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25; Cl[
    Pt]6NCC(CCC(NC2c5c(C(c1cc(OC)c(c(c1)OC)O
    )C3C2COC3=O)cc4OCOc4c5)=O)N6; COc1cc(cc(
    c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)NC(=O)
    CCC6C[NH2][Pt]([NH2]6)Cl)OCO4; COc1cc(cc
    (OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(=O
    )CC[CH]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25    		 chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
    30150 N2T
    CHEMBL205437
    DB08239
    ZINC000013982377    		 2 C23 H25 F2 N3 O InChI=1S/C23H25F2N3O/c1-2
    7(19-9-11-26-12-10-19)23(
    29)28-15-17(20-14-18(24)7
    -8-21(20)25)13-22(28)16-5
    -3-2-4-6-16/h2-8,13-14,19
    ,22,26H,9-12,15H2,1H3/t22
    -/m0/s1;
    NKLVBHMAIMEVEH-QFIPXVFZSA-N    		 CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c
    4cc(ccc4F)F; CN(C1CCNCC1)C(=O)N2CC(=C[C@
    H]2c3ccccc3)c4cc(F)ccc4F; Fc1cc(c(F)cc1)
    C4=CC(c2ccccc2)N(C(=O)N(C)C3CCNCC3)C4; C
    N(C1CCNCC1)C(=O)N2CC(=C[CH]2c3ccccc3)c4c
    c(F)ccc4F; CN(C1CCNCC1)C(=O)N2CC(=CC2c3c
    cccc3)c4cc(ccc4F)F    		 (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE
    30151 N2U 1 C24 H30 N2 O6 InChI=1S/C24H30N2O6/c1-7-
    31-20(27)16-12-13-24(22(2
    9)30-6,25-19(16)21(28)32-
    23(2,3)4)18-14-15-10-8-9-
    11-17(15)26(18)5/h8-12,14
    ,19,25H,7,13H2,1-6H3/t19-
    ,24+/m0/s1;
    KITXNGADRUMEPM-YADARESESA-N    		 CCOC(=O)C1=CC[C@@](N[C@@H]1C(=O)OC(C)(C)
    C)(c2cc3ccccc3n2C)C(=O)OC; CCOC(=O)C1=CC
    [C](N[CH]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3c
    cccc3n2C; CCOC(=O)C1=CC[C@](N[C@@H]1C(=O
    )OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C; CCOC
    (=O)C1=CCC(NC1C(=O)OC(C)(C)C)(c2cc3ccccc
    3n2C)C(=O)OC    		 O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate
    30152 N2V
    CHEMBL3950796    		 1 C50 H47 Cl2 N3 O6 InChI=1S/C50H47Cl2N3O6/c1
    -4-44(35-8-6-5-7-9-35)55-
    27-38-26-47-46(60-29-48(6
    1-47)36-15-17-39(18-16-36
    )59-28-33-12-19-41(51)42(
    52)22-33)25-37(38)24-45(5
    5)49(56)54-43(50(57)58)23
    -32-10-13-34(14-11-32)40-
    20-21-53-31(3)30(40)2/h5-
    22,25-26,43-45,48H,4,23-2
    4,27-29H2,1-3H3,(H,54,56)
    (H,57,58)/t43-,44-,45-,48
    +/m0/s1;
    DEDPYBWOUXWMOX-ZTAAISNPSA-N    		 CCC(c1ccccc1)N2Cc3cc4c(cc3CC2C(=O)NC(Cc5
    ccc(cc5)c6ccnc(c6C)C)C(=O)O)OCC(O4)c7ccc
    (cc7)OCc8ccc(c(c8)Cl)Cl; CC[CH](N1Cc2cc3
    O[CH](COc3cc2C[CH]1C(=O)N[CH](Cc4ccc(cc4
    )c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c(
    Cl)c7)cc6)c8ccccc8; CC[C@H](N1Cc2cc3O[C@
    H](COc3cc2C[C@H]1C(=O)N[C@@H](Cc4ccc(cc4
    )c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c(
    Cl)c7)cc6)c8ccccc8; CC[C@@H](c1ccccc1)N2
    Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc
    5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(
    cc7)OCc8ccc(c(c8)Cl)Cl; c2(ccc(OCc1cc(Cl
    )c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)
    O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(
    c8ccccc8)CC    		 N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine
    30153 N2W 2 C26 H31 Cl N3 O8 Pt InChI=1S/C26H31N3O8.ClH.P
    t/c1-33-19-5-12(6-20(34-2
    )25(19)31)22-14-7-17-18(3
    7-11-36-17)8-15(14)24(16-
    10-35-26(32)23(16)22)29-2
    1(30)4-3-13(28)9-27;;/h5-
    8,13,16,22-24,31H,3-4,9-1
    1,27-28H2,1-2H3,(H,29,30)
    ;1H;/q;;+1/p-1/t13-,16+,2
    2-,23-,24-;;/m1../s1;
    UVMRTXMJNLJFNR-JLXFAVSYSA-M    		 COc1c(c(cc(c1)C2C6C(C(c4c2cc3c(OCO3)c4)N
    C(=O)CCC5CN[Pt](Cl)N5)COC6=O)OC)O; COc1c
    c(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)N
    C(=O)CCC6C[NH2][Pt]([NH2]6)Cl)OCO4; COc1
    cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@
    H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][
    Pt]([NH2]6)Cl)OCO4; COc1cc(cc(OC)c1O)[C@
    H]2[C@H]3[C@H](COC3=O)[C@H](NC(=O)CC[C@H
    ]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25; COc1cc(
    cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(
    =O)CC[CH]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25    		 chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
    30154 N2X 1 C17 H16 Br N O3 InChI=1S/C17H16BrNO3/c1-2
    -22-15-6-4-3-5-11(15)10-1
    9-14-8-7-12(18)9-13(14)16
    (20)17(19)21/h3-9,16,20H,
    2,10H2,1H3/t16-/m0/s1;
    DDTMARFKTVIEHP-INIZCTEOSA-N    		 CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O; CCOc
    1ccccc1CN2C(=O)[C@@H](O)c3cc(Br)ccc23; C
    COc1ccccc1CN2C(=O)[CH](O)c3cc(Br)ccc23;
    CCOc1ccccc1CN2c3ccc(cc3[C@@H](C2=O)O)Br;
    CCOc1ccccc1CN2c3ccc(cc3C(C2=O)O)Br    		 (3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
    30155 N2Y
    CHEMBL309804
    ZINC000013474371    		 30 C9 H11 Cl N4 InChI=1S/C9H11ClN4/c10-8-
    2-1-7(5-13-8)6-14-4-3-12-
    9(14)11/h1-2,5H,3-4,6H2,(
    H2,11,12);
    UEQZFAGVRGWPDK-UHFFFAOYSA-N    		 Clc1ccc(CN2CCNC2=N)cn1; [H]/N=C\1/NCCN1C
    c2ccc(nc2)Cl; Clc1ncc(cc1)CN2C(=[N@H])NC
    C2; c1cc(ncc1CN2CCNC2=N)Cl    		 (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
    30156 N2Z
    ZINC000004218608    		 1 C8 H6 Cl N3 InChI=1S/C8H6ClN3/c9-7-4-
    2-1-3-6(7)8-10-5-11-12-8/
    h1-5H,(H,10,11,12);
    HUJUBANPLITKPV-UHFFFAOYSA-N    		 Clc1ccccc1c2[nH]cnn2; c1ccc(c(c1)c2[nH]c
    nn2)Cl    		 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole
    30157 N30
    CHEMBL474967
    ZINC000044018455    		 0 C17 H34 N4 O10 InChI=1S/C17H34N4O10/c18-
    2-6-10(24)13(27)17(28-6)3
    1-15-9(23)4(19)1-5(20)14(
    15)30-16-8(21)12(26)11(25
    )7(3-22)29-16/h4-17,22-27
    H,1-3,18-21H2/t4-,5+,6-,7
    -,8-,9+,10-,11-,12-,13-,1
    4-,15-,16-,17+/m1/s1;
    FNBQIDOUCINBIA-VVPCINPTSA-N    		 O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)
    C3OC(C(O)C3O)CN; NC[C@H]1O[C@@H](O[C@@H]
    2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]3
    O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]
    (O)[C@@H]1O; NC[CH]1O[CH](O[CH]2[CH](O)[
    CH](N)C[CH](N)[CH]2O[CH]3O[CH](CO)[CH](O
    )[CH](O)[CH]3N)[CH](O)[CH]1O; C1[C@H]([C
    @@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[
    C@@H]([C@@H]([C@H](O3)CN)O)O)O)N; C1C(C(
    C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(
    O3)CN)O)O)O)N    		 (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
    30158 N32
    CHEMBL1092943
    ZINC000029050858    		 6 C24 H27 N O6 InChI=1S/C24H27NO6/c1-13-
    12-24-9-5-14(13)11-17(24)
    23(2,18(27)6-10-24)8-7-19
    (28)25-20-16(26)4-3-15(21
    (20)29)22(30)31/h3-4,6,10
    ,14,17,26,29H,1,5,7-9,11-
    12H2,2H3,(H,25,28)(H,30,3
    1)/t14-,17-,23-,24+/m0/s1;
    DWUHGPPFFABTIY-RLWZQHMASA-N    		 CC1(C2CC3CCC2(CC3=C)C=CC1=O)CCC(=O)Nc4c(
    ccc(c4O)C(=O)O)O; C[C]1(CCC(=O)Nc2c(O)cc
    c(C(O)=O)c2O)[CH]3C[CH]4CC[C]3(CC4=C)C=C
    C1=O; O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C
    (=O)C=CC42CCC(/C(=C)C2)CC34)C; C[C@]1(CC
    C(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@@H]3C[C@@H
    ]4CC[C@]3(CC4=C)C=CC1=O; C[C@@]1([C@@H]2
    C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4
    c(ccc(c4O)C(=O)O)O    		 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid;
    Platencin
    30159 N33
    ZINC000064436308    		 0 C19 H38 N4 O12 InChI=1S/C19H38N4O12/c20-
    5-1-6(21)15(14(29)11(5)26
    )35-19-10(23)17(13(28)8(3
    -25)34-19)32-4-31-16-9(22
    )18(30)33-7(2-24)12(16)27
    /h5-19,24-30H,1-4,20-23H2
    /t5-,6+,7-,8-,9-,10-,11+,
    12-,13-,14-,15-,16-,17-,1
    8+,19-/m1/s1;
    BKAACSMFIQVWGC-LZHQQFSOSA-N    		 O(C1C(O)C(O)C(N)CC1N)C3OC(C(O)C(OCOC2C(N
    )C(O)OC(CO)C2O)C3N)CO; C1C(C(C(C(C1N)OC2
    C(C(C(C(O2)CO)O)OCOC3C(C(OC(C3O)CO)O)N)N
    )O)O)N; N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O
    [C@H](CO)[C@@H](O)[C@H](OCO[C@@H]3[C@@H]
    (N)[C@@H](O)O[C@H](CO)[C@H]3O)[C@H]2N)[C
    @H](O)[C@H]1O; N[CH]1C[CH](N)[CH](O[CH]2
    O[CH](CO)[CH](O)[CH](OCO[CH]3[CH](N)[CH]
    (O)O[CH](CO)[CH]3O)[CH]2N)[CH](O)[CH]1O;
    C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C
    @@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O
    CO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)
    O)N)N)O)O)N
    30160 N34
    ZINC000059157901    		 2 C21 H29 N5 O6 S2 InChI=1S/C21H29N5O6S2/c1-
    21(2,3)9-11-26-20(28)17(1
    8(27)15-6-5-10-25(15)26)1
    9-22-14-8-7-13(23-33(4,29
    )30)12-16(14)34(31,32)24-
    19/h7-8,12,15,23,27H,5-6,
    9-11H2,1-4H3,(H,22,24)/t1
    5-/m0/s1;
    OCQGEVFPTYSQCK-HNNXBMFYSA-N    		 CC(C)(C)CCN1N2CCC[C@H]2C(=C(C1=O)C3=Nc4c
    cc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O; O=S
    (=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4
    N(N(C3=O)CCC(C)(C)C)CCC4)C; CC(C)(C)CCN1
    C(=O)C(=C(C2N1CCC2)O)C3=Nc4ccc(cc4S(=O)(
    =O)N3)NS(=O)(=O)C; CC(C)(C)CCN1C(=O)C(=C
    ([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=
    O)N3)NS(=O)(=O)C; CC(C)(C)CCN1N2CCC[CH]2
    C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S]
    (=O)(=O)N3)O    		 N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide;
    N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1, 2,4-benzothiadiazin-7-yl}methanesulfonamide
    30161 N35
    CHEMBL515012
    ZINC000040917273    		 2 C21 H28 N6 O6 S2 InChI=1S/C21H28N6O6S2/c1-
    13(2)8-11-27-21(29)17(18(
    28)20(23-27)26-9-4-5-10-2
    6)19-22-15-7-6-14(24-34(3
    ,30)31)12-16(15)35(32,33)
    25-19/h6-7,12-13,24,28H,4
    -5,8-11H2,1-3H3,(H,22,25);
    QUWPELVBLLLYGL-UHFFFAOYSA-N    		 CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc
    4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C; O=S(=O)
    (Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(
    C3=O)CCC(C)C)N4CCCC4)C; CC(C)CCN1N=C(N2C
    CCC2)C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)c
    c4[S](=O)(=O)N3)O    		 N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide;
    N-{3-[5-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydro-pyridazin-4-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
    30162 N36
    CHEMBL508676
    ZINC000002567934    		 2 C9 H10 O3 InChI=1S/C9H10O3/c1-2-12-
    9-5-7(6-10)3-4-8(9)11/h3-
    6,11H,2H2,1H3;
    CBOQJANXLMLOSS-UHFFFAOYSA-N    		 CCOc1cc(C=O)ccc1O; CCOc1cc(ccc1O)C=O 3-ethoxy-4-hydroxybenzaldehyde;
    Ethyl vanillin
    30163 N37
    CHEMBL4591248    		 4 C24 H27 N7 O6 InChI=1S/C24H27N7O6/c25-1
    5(24(35)36)7-6-13(5-4-12-
    2-1-3-14(8-12)21(27)34)9-
    16-18(32)19(33)23(37-16)3
    1-11-30-17-20(26)28-10-29
    -22(17)31/h1-3,8,10-11,13
    ,15-16,18-19,23,32-33H,6-
    7,9,25H2,(H2,27,34)(H,35,
    36)(H2,26,28,29)/t13-,15-
    ,16+,18+,19+,23+/m0/s1;
    QRKSTGPKAQGBDD-GGPTZFPQSA-N    		 N[CH](CC[CH](C[CH]1O[CH]([CH](O)[CH]1O)n
    2cnc3c(N)ncnc23)C#Cc4cccc(c4)C(N)=O)C(O)
    =O; c1cc(cc(c1)C(=O)N)C#CC(CCC(C(=O)O)N)
    CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1cc(cc(
    c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[
    C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc
    4N)O)O; N[C@@H](CC[C@@H](C[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C#Cc4cc
    cc(c4)C(N)=O)C(O)=O; c12ncnc(c1ncn2C3OC(
    C(C3O)O)CC(C#Cc4cccc(c4)C(N)=O)CCC(N)C(O
    )=O)N    		 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine
    30164 N38
    ZINC000584905779    		 4 C26 H41 N3 O7 S InChI=1S/C26H41N3O7S/c1-3
    5-22-8-10-23(11-9-22)36-1
    4-5-15-37(33,34)29-24(16-
    19-6-3-2-4-7-19)26(32)28-
    21(18-30)17-20-12-13-27-2
    5(20)31/h8-11,19-21,24,29
    -30H,2-7,12-18H2,1H3,(H,2
    7,31)(H,28,32)/t20-,21-,2
    4-/m0/s1;
    JSFDYEDTWWEPLF-HFMPRLQTSA-N    		 COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCC
    C2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO; COc1
    ccc(OCCC[S](=O)(=O)N[CH](CC2CCCCC2)C(=O)
    N[CH](CO)C[CH]3CCNC3=O)cc1; COc1ccc(OCCC
    [S](=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H]
    (CO)C[C@@H]3CCNC3=O)cc1; COc3ccc(OCCCS(N
    C(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O
    )cc3; COc1ccc(cc1)OCCCS(=O)(=O)NC(CC2CCC
    CC2)C(=O)NC(CC3CCNC3=O)CO    		 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide;
    3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan inamide (bound form)
    30165 N39 1 C31 H36 N2 O8 S InChI=1S/C31H36N2O8S/c1-8
    -40-27(34)23-17-18-31(29(
    36)39-7,25-19-21-11-9-10-
    12-24(21)32(25)6)33(26(23
    )28(35)41-30(3,4)5)42(37,
    38)22-15-13-20(2)14-16-22
    /h9-17,19,26H,8,18H2,1-7H
    3/t26-,31+/m0/s1;
    FUSYRUNCXNWFDD-SUYBVONHSA-N    		 CCOC(=O)C1=CC[C](N([CH]1C(=O)OC(C)(C)C)[
    S](=O)(=O)c2ccc(C)cc2)(C(=O)OC)c3cc4cccc
    c4n3C; CCOC(=O)C1=CC[C@@](N([C@@H]1C(=O)
    OC(C)(C)C)S(=O)(=O)c2ccc(cc2)C)(c3cc4ccc
    cc4n3C)C(=O)OC; CCOC(=O)C1=CC[C@](N([C@@
    H]1C(=O)OC(C)(C)C)[S](=O)(=O)c2ccc(C)cc2
    )(C(=O)OC)c3cc4ccccc4n3C; CCOC(=O)C1=CCC
    (N(C1C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(cc2)C
    )(c3cc4ccccc4n3C)C(=O)OC    		 O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate;
    3-formyl rifamycin SV
    30166 N3A
    ZINC000058638808    		 1 C24 H27 N O7 InChI=1S/C24H27NO7/c1-12-
    11-24-8-5-17(27)23(2,16(2
    4)9-13(12)10-18(24)28)7-6
    -19(29)25-20-15(26)4-3-14
    (21(20)30)22(31)32/h3-5,8
    ,13,16,18,26,28,30H,1,6-7
    ,9-11H2,2H3,(H,25,29)(H,3
    1,32)/t13-,16+,18-,23+,24
    +/m1/s1;
    KCPPASJQWABQQM-XLJNEENLSA-N    		 O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=
    CC32C/C(=C)C(CC2O)CC34)C; CC1(C2CC3CC(C2
    (CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=
    O)O)O; C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@
    ]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C
    (=O)O)O; C[C@]1(CCC(=O)Nc2c(O)ccc(C(O)=O
    )c2O)[C@@H]3C[C@@H]4C[C@@H](O)[C@]3(CC4=
    C)C=CC1=O; C[C]1(CCC(=O)Nc2c(O)ccc(C(O)=
    O)c2O)[CH]3C[CH]4C[CH](O)[C]3(CC4=C)C=CC
    1=O    		 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid;
    Platencin A1
    30167 N3B
    CHEMBL371861
    ZINC000028568875    		 1 C27 H22 F N3 O5 S2 InChI=1S/C27H22FN3O5S2/c2
    8-22-12-10-20(11-13-22)19
    -6-8-21(9-7-19)27(32)30-3
    8(35,36)24-14-15-25(26(18
    -24)31(33)34)29-16-17-37-
    23-4-2-1-3-5-23/h1-15,18,
    29H,16-17H2,(H,30,32);
    SWGIDRBGIJDBQO-UHFFFAOYSA-N    		 c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O
    )(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F; Fc1ccc
    (cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N
    +]([O-])=O)c3)NCCSc4ccccc4; [O-][N+](=O)
    c1cc(ccc1NCCSc2ccccc2)[S](=O)(=O)NC(=O)c
    3ccc(cc3)c4ccc(F)cc4    		 N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
    30168 N3C
    CHEMBL376408
    DB17023
    ZINC000094303099    		 9 C42 H45 Cl N6 O5 S2 InChI=1S/C42H45ClN6O5S2/c
    1-46(2)23-22-35(30-55-37-
    9-4-3-5-10-37)44-40-21-20
    -38(28-41(40)49(51)52)56(
    53,54)45-42(50)32-14-18-3
    6(19-15-32)48-26-24-47(25
    -27-48)29-33-8-6-7-11-39(
    33)31-12-16-34(43)17-13-3
    1/h3-21,28,35,44H,22-27,2
    9-30H2,1-2H3,(H,45,50)/t3
    5-/m1/s1;
    HPLNQCPCUACXLM-PGUFJCEWSA-N    		 CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O
    -])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc
    5ccccc5c6ccc(cc6)Cl; CN(C)CC[C@H](CSc1cc
    ccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(
    =O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc
    6)Cl; CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[
    N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N
    4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6; CN(C)CC[
    C@H](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[
    S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5c
    cccc5c6ccc(Cl)cc6; [O-][N+](=O)c2cc(ccc2
    NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6c
    cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6    		 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE;
    ABT-737
    30169 N3D
    CHEMBL174165
    ZINC000001586437    		 0 C4 H12 N2 InChI=1S/C4H12N2/c1-6-4-2
    -3-5/h6H,2-5H2,1H3;
    QHJABUZHRJTCAR-UHFFFAOYSA-N    		 NCCCNC; CNCCCN N-methylpropane-1,3-diamine
    30170 N3E
    CHEMBL469949
    ZINC000024805486    		 2 C15 H21 N3 O7 InChI=1S/C15H21N3O7/c19-7
    -9-11(17-4-1-8(2-5-17)14(
    22)23)12(21)13(25-9)18-6-
    3-10(20)16-15(18)24/h3,6,
    8-9,11-13,19,21H,1-2,4-5,
    7H2,(H,22,23)(H,16,20,24)
    /t9-,11-,12+,13-/m1/s1;
    IBEGWFLXVPJKRI-FOUMNBMASA-N    		 C1CN(CCC1C(=O)O)C2C(OC(C2O)N3C=CC(=O)NC3
    =O)CO; C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@
    H]([C@H]2O)N3C=CC(=O)NC3=O)CO; OC[C@H]1O
    [C@H]([C@@H](O)[C@@H]1N2CC[C@H](CC2)C(O)
    =O)N3C=CC(=O)NC3=O; O=C(O)C3CCN(C2C(OC(N
    1C(=O)NC(=O)C=C1)C2O)CO)CC3; OC[CH]1O[CH
    ]([CH](O)[CH]1N2CC[CH](CC2)C(O)=O)N3C=CC
    (=O)NC3=O    		 1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE;
    3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE
    30171 N3F
    CHEMBL152596
    ZINC000000017685    		 1 C19 H16 N2 O InChI=1S/C19H16N2O/c20-17
    -8-4-5-9-18(17)21-16-12-1
    0-15(11-13-16)19(22)14-6-
    2-1-3-7-14/h1-13,21H,20H2;
    RAWYMBACZSQNDD-UHFFFAOYSA-N    		 Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3; c1ccc
    (cc1)C(=O)c2ccc(cc2)Nc3ccccc3N; O=C(c1cc
    ccc1)c2ccc(cc2)Nc3ccccc3N    		 {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
    30172 N3G 1 C19 H29 N9 O4 S2 InChI=1S/C19H29N9O4S2/c20
    -17-16-18(22-10-21-17)28(
    11-23-16)8-4-3-7-24-34(31
    ,32)27-14(29)6-2-1-5-13-1
    5-12(9-33-13)25-19(30)26-
    15/h10-13,15,24H,1-9H2,(H
    ,27,29)(H2,20,21,22)(H2,2
    5,26,30)/t12-,13-,15-/m0/
    s1;
    WPCYKZJXLXIRGW-YDHLFZDLSA-N    		 c2nc1c(N)ncnc1n2CCCCNS(NC(CCCCC4C3NC(=O)
    NC3CS4)=O)(=O)=O; Nc1ncnc2n(CCCCN[S](=O)
    (=O)NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)
    cnc12; Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)C
    CCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cnc12;
    c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)C
    CCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N; c1
    nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC
    C3C4C(CS3)NC(=O)N4)N    		 N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
    30173 N3H
    CHEMBL401825
    ZINC000029043133    		 2 C21 H23 N5 O6 S3 InChI=1S/C21H23N5O6S3/c1-
    12(2)8-9-26-21(28)17(19(2
    7)18(23-26)15-5-4-10-33-1
    5)20-22-14-7-6-13(24-34(3
    ,29)30)11-16(14)35(31,32)
    25-20/h4-7,10-12,24,27H,8
    -9H2,1-3H3,(H,22,25);
    UNKTYNIAIAATDF-UHFFFAOYSA-N    		 CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(N[S](C)
    (=O)=O)cc3[S](=O)(=O)N2)O)c4sccc4; CC(C)
    CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(
    cc4S(=O)(=O)N3)NS(=O)(=O)C; O=S(=O)(Nc1c
    cc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)
    CCC(C)C)c4sccc4)C    		 N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide;
    N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxo-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
    30174 N3I 1 C15 H15 Cl N2 O2 InChI=1S/C15H15ClN2O2/c1-
    10-3-4-17-9-14(10)18-15(1
    9)7-11-5-12(16)8-13(6-11)
    20-2/h3-6,8-9H,7H2,1-2H3,
    (H,18,19);
    WXCJKPMYIYFEDR-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)Cc1cc(OC)cc(Cl)c1; Cc1ccn
    cc1NC(=O)Cc2cc(cc(c2)Cl)OC; COc1cc(Cl)cc
    (CC(=O)Nc2cnccc2C)c1    		 2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
    30175 N3L 3 C21 H25 N3 O InChI=1S/C21H25N3O/c1-19(
    2)16-11-21-8-5-9-24(21)12
    -20(16,23-18(21)25)10-14-
    13-6-3-4-7-15(13)22-17(14
    )19/h3-4,6-7,16,22H,5,8-1
    2H2,1-2H3,(H,23,25)/t16-,
    20-,21+/m1/s1;
    LBTZXCFDJFHPMI-HBGVWJBISA-N    		 CC1(C)[C@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[nH
    ]c6ccccc56)NC4=O; CC1(C)[CH]2C[C]34CCCN3
    C[C]2(Cc5c1[nH]c6ccccc56)NC4=O; CC1(C)C2
    CC34CCCN4CC2(NC3=O)Cc2c3ccccc3[NH]c21; C
    C1(c2c(c3ccccc3[nH]2)C[C@]45[C@@H]1C[C@@
    ]6(CCCN6C4)C(=O)N5)C; CC1(c2c(c3ccccc3[n
    H]2)CC45C1CC6(CCCN6C4)C(=O)N5)C    		 Penicimutamide E
    30176 N3M
    CHEMBL1606123
    ZINC000003874021    		 4 C8 H10 N2 O InChI=1S/C8H10N2O/c1-6(11
    )10-8-4-2-3-7(9)5-8/h2-5H
    ,9H2,1H3,(H,10,11);
    PEMGGJDINLGTON-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(c1)N; O=C(Nc1cccc(c1)N)C;
    CC(=O)Nc1cccc(N)c1    		 N-(3-aminophenyl)acetamide
    30177 N3O 1 C10 H11 N3 O2 InChI=1S/C10H11N3O2/c1-3-
    9(14)12-7-4-8-6(2)13-15-1
    0(8)11-5-7/h4-5H,3H2,1-2H
    3,(H,12,14);
    LSSGMABBUKKUJR-UHFFFAOYSA-N    		 CCC(=O)Nc1cnc2onc(C)c2c1; CCC(=O)Nc1cc2c
    (noc2nc1)C    		 ~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
    30178 N3P
    CHEMBL1234585
    DB08240
    ZINC000002168663    		 4 C17 H13 Cl N O5 P InChI=1S/C17H13ClNO5P/c18
    -13-5-7-14(8-6-13)19-17(2
    0)15-9-11-3-1-2-4-12(11)1
    0-16(15)24-25(21,22)23/h1
    -10H,(H,19,20)(H2,21,22,2
    3);
    RQAQWBFHPMSXKR-UHFFFAOYSA-N    		 Clc3ccc(NC(=O)c2cc1ccccc1cc2OP(=O)(O)O)c
    c3; c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)
    OP(=O)(O)O; O[P](O)(=O)Oc1cc2ccccc2cc1C(
    =O)Nc3ccc(Cl)cc3    		 N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE
    30179 N3Q 1 C12 H14 Cl2 N4 O2 InChI=1S/C12H14Cl2N4O2/c1
    3-9-5-8(18(1-3-19)2-4-20)
    6-10(14)11(9)12-15-7-16-1
    7-12/h5-7,19-20H,1-4H2,(H
    ,15,16,17);
    KTFYALGLEDTFHG-UHFFFAOYSA-N    		 OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2; c
    1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO    		 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
    30180 N3R 1 C19 H17 F N2 O4 InChI=1S/C19H17FN2O4/c1-2
    5-15-7-2-3-8-16(15)26-10-
    9-21-19(24)12-11-17(23)22
    -14-6-4-5-13(20)18(12)14/
    h2-8,11H,9-10H2,1H3,(H,21
    ,24)(H,22,23);
    HLMOMNRZAYBAJZ-UHFFFAOYSA-N    		 COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)
    F; COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F
    )c23; COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccc
    c(F)c21    		 5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
    30181 N3T
    DB02814    		 4 C13 H19 N3 O7 P2 S InChI=1S/C13H19N3O7P2S/c1
    -9-5-12(14)11(6-15-9)7-16
    -8-26-13(10(16)2)3-4-22-2
    5(20,21)23-24(17,18)19/h5
    -6,8H,3-4,7H2,1-2H3,(H4-,
    14,15,17,18,19,20,21);
    NWZZJKMZTWGIFE-UHFFFAOYSA-N    		 Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)
    O[P@@](=O)(O)[O-])N; Cc1cc(c(cn1)C[n+]2c
    sc(c2C)CCOP(=O)(O)OP(=O)(O)[O-])N; Cc1cc
    (N)c(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-]
    )=O)c2C)cn1; Cc1cc(N)c(C[n+]2csc(CCO[P@@
    ](O)(=O)O[P](O)([O-])=O)c2C)cn1    		 3'-DEAZO-THIAMIN DIPHOSPHATE
    30182 N3U
    DB01923
    ZINC000001529626    		 1 C5 H11 O8 P InChI=1S/C5H11O8P/c6-1-3(
    7)5(9)4(8)2-13-14(10,11)1
    2/h4-6,8-9H,1-2H2,(H2,10,
    11,12)/t4-,5-/m0/s1;
    FNZLKVNUWIIPSJ-WHFBIAKZSA-N    		 C(C(C(C(=O)CO)O)O)OP(=O)(O)O; C([C@@H]([
    C@H](C(=O)CO)O)O)OP(=O)(O)O; OCC(=O)[C@H
    ](O)[C@@H](O)CO[P](O)(O)=O; OCC(=O)[CH](
    O)[CH](O)CO[P](O)(O)=O; O=P(O)(O)OCC(O)C
    (O)C(=O)CO    		 L-xylulose-5-phosphate
    30183 N3W 1 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-7-5(
    2-1-3-6(7)10)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    RWTMHFLYHAPAAV-UHFFFAOYSA-N    		 Nc1cccc(c1Cl)c2[nH]cnn2; c1cc(c(c(c1)N)C
    l)c2[nH]cnn2    		 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
    30184 N3X 1 C12 H15 N3 O InChI=1S/C12H15N3O/c1-3-1
    2(16)13-7-9-4-5-10-8-14-1
    5(2)11(10)6-9/h4-6,8H,3,7
    H2,1-2H3,(H,13,16);
    BEDCFWJZXJLEPB-UHFFFAOYSA-N    		 CCC(=O)NCc1ccc2cnn(C)c2c1; CCC(=O)NCc1cc
    c2cnn(c2c1)C    		 ~{N}-[(1-methylindazol-6-yl)methyl]propanamide
    30185 N3Z
    CHEMBL4800456    		 3 C23 H25 N O5 InChI=1S/C23H25NO5/c1-12-
    11-29-19-10-16-17(9-15(12
    )19)21-14(6-7-18(16)24-13
    (2)25)8-20(26-3)22(27-4)2
    3(21)28-5/h8-10,18H,1,6-7
    ,11H2,2-5H3,(H,24,25)/t18
    -/m0/s1;
    DQVCQNGCZCOGHU-SFHVURJKSA-N    		 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C
    (=C)CO4)OC)OC)OC; COc1cc2CC[CH](NC(C)=O)
    c3cc4OCC(=C)c4cc3c2c(OC)c1OC; COc1cc2CC[
    C@H](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1O
    C; CC(=O)NC1CCc2cc(c(c(c2-c3c1cc4c(c3)C(
    =C)CO4)OC)OC)OC    		 ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
    30186 N40
    ZINC000584905783    		 2 C24 H45 N3 O5 S InChI=1S/C24H45N3O5S/c1-2
    -3-4-5-6-10-15-33(31,32)2
    7-22(16-19-11-8-7-9-12-19
    )24(30)26-21(18-28)17-20-
    13-14-25-23(20)29/h19-22,
    27-28H,2-18H2,1H3,(H,25,2
    9)(H,26,30)/t20-,21-,22-/
    m0/s1;
    RZTXHLLGLPTYGI-FKBYEOEOSA-N    		 CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)
    N[C@@H](C[C@@H]2CCNC2=O)CO; CCCCCCCCS(=O
    )(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO;
    CCCCCCCC[S](=O)(=O)N[CH](CC1CCCCC1)C(=O
    )N[CH](CO)C[CH]2CCNC2=O; CCCCCCCC[S](=O)
    (=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CO)C[C
    @@H]2CCNC2=O; C(CCCCCCC)S(NC(CC1CCCCC1)C
    (NC(CO)CC2CCNC2=O)=O)(=O)=O    		 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide;
    3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form)
    30187 N41
    CHEMBL121941
    DB08241
    ZINC000005933198    		 2 C19 H22 N6 O2 InChI=1S/C19H22N6O2/c20-1
    6(26)13-6-8-14(9-7-13)23-
    19-24-17-15(21-11-22-17)1
    8(25-19)27-10-12-4-2-1-3-
    5-12/h6-9,11-12H,1-5,10H2
    ,(H2,20,26)(H2,21,22,23,2
    4,25);
    RUUOIINPNMNPIU-UHFFFAOYSA-N    		 O=C(N)c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CC
    CCC4; NC(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4CC
    CCC4)n2)cc1; c1cc(ccc1C(=O)N)Nc2nc3c(c(n
    2)OCC4CCCCC4)nc[nH]3    		 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE
    30188 N42
    CHEMBL4077123    		 4 C38 H41 N5 O5 InChI=1S/C38H41N5O5/c1-7-
    34(44)40-32-22-28(15-16-3
    0(32)36(46)43-17-19-48-20
    -18-43)39-33-21-26(23-42(
    6)37(33)47)29-9-8-10-31(2
    4(29)2)41-35(45)25-11-13-
    27(14-12-25)38(3,4)5/h7-1
    6,21-23,39H,1,17-20H2,2-6
    H3,(H,40,44)(H,41,45);
    UBXBHXGYYBYXOB-UHFFFAOYSA-N    		 C=[C@H]C(=O)Nc2c(C(=O)N1CCOCC1)ccc(c2)NC
    3=CC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5ccc(c
    c5)C(C)(C)C; Cc1c(cccc1NC(=O)c2ccc(cc2)C
    (C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(
    =O)C=C)C(=O)N5CCOCC5)C; CN1C=C(C=C(Nc2cc
    c(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)C1=O)c4cc
    cc(NC(=O)c5ccc(cc5)C(C)(C)C)c4C    		 N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
    30189 N43 1 C20 H20 N2 O5 InChI=1S/C20H20N2O5/c1-25
    -15-7-3-4-8-16(15)27-11-1
    0-21-20(24)13-12-18(23)22
    -14-6-5-9-17(26-2)19(13)1
    4/h3-9,12H,10-11H2,1-2H3,
    (H,21,24)(H,22,23);
    NXFNSWGPJUOQPY-UHFFFAOYSA-N    		 COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c
    23; COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(
    OC)c12; COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c
    2c(ccc3)OC    		 5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
    30190 N44 4 C27 H25 N2 O5 InChI=1S/C27H26N2O5/c1-2-
    14-29(17-21-12-13-23-25(3
    4-18-33-23)24(21)27(31)32
    )16-20-10-6-7-11-22(20)26
    (30)28-15-19-8-4-3-5-9-19
    /h2-13H,1,14-18H2,(H,28,3
    0)(H,31,32)/p-1;
    GNIJPYFYNUUVOY-UHFFFAOYSA-M    		 C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(
    c3C(=O)[O-])OCO4; [O-]C(=O)c1c(CN(CC=C)C
    c2ccccc2C(=O)NCc3ccccc3)ccc4OCOc14; O=C(
    NCc1ccccc1)c2ccccc2CN(C\C=C)Cc3ccc4OCOc4
    c3C([O-])=O    		 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate
    30191 N45
    CHEMBL4073443
    DB15219
    ZINC000575623807    		 1 C17 H20 N6 O2 InChI=1S/C17H20N6O2/c1-10
    -7-11(21-13-8-12(18)19-9-
    20-13)16(25)23-14(10)15(2
    4)22-17(23)5-3-2-4-6-17/h
    7-9H,2-6H2,1H3,(H,22,24)(
    H3,18,19,20,21);
    HKTBYUWLRDZAJK-UHFFFAOYSA-N    		 O=C3C1=C(C)C=C(C(N1C2(CCCCC2)N3)=O)Nc4nc
    nc(c4)N; CC1=C2N(C(=O)C(=C1)Nc3cc(N)ncn3
    )C4(CCCCC4)NC2=O; CC1=C2C(=O)NC3(N2C(=O)
    C(=C1)Nc4cc(ncn4)N)CCCCC3    		 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
    30192 N46
    ZINC000100200037    		 1 C5 H9 O7 P InChI=1S/C5H9O7P/c1-3(6)5
    (8)4(7)2-12-13(9,10)11/h4
    ,7H,2H2,1H3,(H2,9,10,11)/
    t4-/m1/s1;
    DTZHMTDUIGHESZ-SCSAIBSYSA-N    		 CC(=O)C(=O)C(COP(=O)(O)O)O; CC(=O)C(=O)[
    C@@H](COP(=O)(O)O)O; CC(=O)C(=O)[CH](O)C
    O[P](O)(O)=O; O=P(O)(O)OCC(O)C(=O)C(C)=O
    ; CC(=O)C(=O)[C@H](O)CO[P](O)(O)=O    		 (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate
    30193 N47
    CHEMBL4759665    		 2 C20 H29 N5 O2 InChI=1S/C20H29N5O2/c1-15
    -13-19(21-2)24-20(22-15)2
    3-16-7-8-17(26-3)18(14-16
    )27-12-6-11-25-9-4-5-10-2
    5/h7-8,13-14H,4-6,9-12H2,
    1-3H3,(H2,21,22,23,24);
    HWEQZXCORSHBDW-UHFFFAOYSA-N    		 CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n
    1; N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(
    C)c3)C; Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CC
    CC3)OC)NC    		 N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
    30194 N48
    CHEMBL4096095
    ZINC000584905781    		 1 C19 H17 N3 O4 S InChI=1S/C19H17N3O4S/c1-1
    2-8-19(23)22(2)17-10-18(2
    6-3)16(9-15(12)17)21-27(2
    4,25)14-6-4-13(11-20)5-7-
    14/h4-10,21H,1-3H3;
    OHKRNOLZIOHQBM-UHFFFAOYSA-N    		 CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3c
    cc(cc3)C#N)C; COc1cc2N(C)C(=O)C=C(C)c2cc
    1N[S](=O)(=O)c3ccc(cc3)C#N; O=C1C=C(C)c2
    c(N1C)cc(c(c2)NS(=O)(=O)c3ccc(cc3)C#N)OC    		 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
    30195 N49
    CHEMBL5184876    		 1 C24 H21 Cl N2 O4 S InChI=1S/C24H21ClN2O4S/c1
    -3-32(29,30)26-17-10-13-2
    3(31-18-11-8-16(25)9-12-1
    8)21(14-17)22-15-27(2)24(
    28)20-7-5-4-6-19(20)22/h4
    -15,26H,3H2,1-2H3;
    LMYMWXJBPLXESU-UHFFFAOYSA-N    		 CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc
    cc3)C)Oc4ccc(cc4)Cl; CC[S](=O)(=O)Nc1ccc
    (Oc2ccc(Cl)cc2)c(c1)C3=CN(C)C(=O)c4ccccc
    34; CCS(=O)(=O)Nc1cc(C2=CN(C)C(=O)c3cccc
    c23)c(Oc2ccc(Cl)cc2)cc1    		 N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
    30196 N4A
    CHEMBL3099812
    ZINC000098209203    		 1 C29 H24 N6 O4 S InChI=1S/C29H24N6O4S/c30-
    27(31)19-5-10-22(11-6-19)
    38-26-16-15-25(29(34-26)3
    9-23-12-7-20(8-13-23)28(3
    2)33)35-40(36,37)24-14-9-
    18-3-1-2-4-21(18)17-24/h1
    -17,35H,(H3,30,31)(H3,32,
    33);
    YVYNZHGMLLXWDD-UHFFFAOYSA-N    		 NC(=N)c1ccc(Oc2ccc(N[S](=O)(=O)c3ccc4ccc
    cc4c3)c(Oc5ccc(cc5)C(N)=N)n2)cc1; O=S(=O
    )(c2cc1ccccc1cc2)Nc5ccc(Oc3ccc(C(=[N@H])
    N)cc3)nc5Oc4ccc(C(=[N@H])N)cc4; c1ccc2cc
    (ccc2c1)S(=O)(=O)Nc3ccc(nc3Oc4ccc(cc4)C(
    =N)N)Oc5ccc(cc5)C(=N)N; [H]/N=C(\c1ccc(c
    c1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)N
    S(=O)(=O)c4ccc5ccccc5c4)/N    		 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide
    30197 N4B
    CHEMBL195441
    ZINC000001586756    		 2 C10 H14 InChI=1S/C10H14/c1-2-3-7-
    10-8-5-4-6-9-10/h4-6,8-9H
    ,2-3,7H2,1H3;
    OCKPCBLVNKHBMX-UHFFFAOYSA-N    		 CCCCc1ccccc1; c1ccccc1CCCC N-BUTYLBENZENE
    30198 N4C
    CHEMBL3099587    		 1 C26 H29 N7 O3 InChI=1S/C26H29N7O3/c27-1
    8-5-7-19(8-6-18)32-26(34)
    17-13-22(35-20-9-1-15(2-1
    0-20)24(28)29)33-23(14-17
    )36-21-11-3-16(4-12-21)25
    (30)31/h1-4,9-14,18-19H,5
    -8,27H2,(H3,28,29)(H3,30,
    31)(H,32,34)/t18-,19-;
    OAZHYXQXEBQDCU-WGSAOQKQSA-N    		 c1cc(ccc1C(=N)N)Oc2cc(cc(n2)Oc3ccc(cc3)C
    (=N)N)C(=O)NC4CCC(CC4)N; O=C(c3cc(Oc1ccc
    (C(=[N@H])N)cc1)nc(Oc2ccc(C(=[N@H])N)cc2
    )c3)NC4CCC(N)CC4; N[C@@H]1CC[C@H](CC1)NC
    (=O)c2cc(Oc3ccc(cc3)C(N)=N)nc(Oc4ccc(cc4
    )C(N)=N)c2; [H]/N=C(\N)/c1ccc(cc1)Oc2nc(
    cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N
    \[H])/N; N[CH]1CC[CH](CC1)NC(=O)c2cc(Oc3
    ccc(cc3)C(N)=N)nc(Oc4ccc(cc4)C(N)=N)c2    		 N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide
    30199 N4D
    CHEMBL410668
    DB08242
    ZINC000003926710    		 1 C20 H18 N6 O InChI=1S/C20H18N6O/c1-13-
    8-9-14(20(27)21-2)10-17(1
    3)25-18-16-11-24-26(19(16
    )23-12-22-18)15-6-4-3-5-7
    -15/h3-12H,1-2H3,(H,21,27
    )(H,22,23,25);
    OYTBZXSFNNAVKU-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)
    NC; CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)c4c
    cccc4)c1; O=C(NC)c1cc(c(cc1)C)Nc2ncnc3c2
    cnn3c4ccccc4    		 N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
    30200 N4E
    CHEMBL16073
    DB03783
    ZINC000000000602    		 3 C10 H13 N O2 InChI=1S/C10H13NO2/c1-3-1
    3-10-6-4-9(5-7-10)11-8(2)
    12/h4-7H,3H2,1-2H3,(H,11,
    12);
    CPJSUEIXXCENMM-UHFFFAOYSA-N    		 CCOc1ccc(cc1)NC(=O)C; CCOc1ccc(NC(C)=O)c
    c1; O=C(Nc1ccc(OCC)cc1)C    		 N-(4-ethoxyphenyl)acetamide;
    phenacetin
    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).

    • lydsfumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218