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 ";".

    • << < 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    36601 S9M 1 C9 H10 F2 N2 O InChI=1S/C9H10F2N2O/c10-5
    -3-6(8-1-2-12-13-8)9(14)7
    (11)4-5/h3-4,8,12-14H,1-2
    H2;
    OZEHKQMLTPTKCZ-UHFFFAOYSA-N    		 Oc1c(F)cc(F)cc1[C@H]2CCNN2; C2(c1c(O)c(c
    c(c1)F)F)NNCC2; c1c(cc(c(c1[C@H]2CCNN2)O
    )F)F; Oc1c(F)cc(F)cc1[CH]2CCNN2; c1c(cc(
    c(c1C2CCNN2)O)F)F    		 2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
    36602 S9N 1 C11 H9 F N2 O4 S InChI=1S/C11H9FN2O4S/c12-
    8-3-1-7(2-4-8)9-5-6-14(19
    (13,17)18)10(9)11(15)16/h
    1-6H,(H,15,16)(H2,13,17,1
    8);
    IDOBAPQERIMOPF-UHFFFAOYSA-N    		 c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F; N[
    S](=O)(=O)n1ccc(c2ccc(F)cc2)c1C(O)=O    		 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid
    36603 S9P
    ZINC000000039661    		 2 C8 H7 N O2 InChI=1S/C8H7NO2/c1-5-9-7
    -3-2-6(10)4-8(7)11-5/h2-4
    ,10H,1H3;
    RZKJWYDRDBVDJJ-UHFFFAOYSA-N    		 Cc1oc2cc(O)ccc2n1; Cc1nc2ccc(cc2o1)O 2-methyl-1,3-benzoxazol-6-ol
    36604 S9Q
    CHEMBL4530872    		 4 C16 H14 Cl F3 N4 O2 InChI=1S/C16H14ClF3N4O2/c
    17-14-12(7-21-22-15(14)26
    )23-5-6-24(13(25)9-23)8-1
    0-3-1-2-4-11(10)16(18,19)
    20/h1-4,7H,5-6,8-9H2,(H,2
    2,26);
    MITRKIWBJVJRAM-UHFFFAOYSA-N    		 FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=
    O)NN=C3; c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(
    =O)NN=C3)Cl)C(F)(F)F    		 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one
    36605 S9R 1 C6 H14 O8 P2 InChI=1S/C6H14O8P2/c1-2-6
    (5-7)3-4-13-16(11,12)14-1
    5(8,9)10/h3,7H,2,4-5H2,1H
    3,(H,11,12)(H2,8,9,10)/b6
    -3+;
    DIWVCVDIGMPHFB-ZZXKWVIFSA-N    		 CC\C(CO)=C/CO[P](O)(=O)O[P](O)(O)=O; CCC
    (=CCOP(=O)(O)OP(=O)(O)O)CO; CC/C(=C\COP(
    =O)(O)OP(=O)(O)O)/CO; CCC(CO)=CCO[P](O)(
    =O)O[P](O)(O)=O    		 [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
    36606 S9S
    ZINC000001457001    		 9 C9 H12 F N O2 S InChI=1S/C9H12FNO2S/c1-14
    (12,13)11-7-6-8-2-4-9(10)
    5-3-8/h2-5,11H,6-7H2,1H3;
    JZUQJFQXYYHUJT-UHFFFAOYSA-N    		 C[S](=O)(=O)NCCc1ccc(F)cc1; CS(=O)(=O)NC
    Cc1ccc(cc1)F    		 ~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
    36607 S9T
    ZINC000000057530    		 3 C20 H25 N O4 InChI=1S/C20H25NO4/c1-22-
    17-6-5-13(10-18(17)23-2)9
    -16-15-12-20(25-4)19(24-3
    )11-14(15)7-8-21-16/h5-6,
    10-12,16,21H,7-9H2,1-4H3/
    t16-/m0/s1;
    YXWQTVWJNHKSCC-INIZCTEOSA-N    		 COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)O
    C; COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)OC
    ; COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc23)c
    c1OC; COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23
    )cc1OC    		 (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;
    S-Tetrahydropapaverine
    36608 S9U 1 C25 H44 N3 O8 S InChI=1S/C25H43N3O8S/c1-1
    5(2)10-20(28-25(32)36-14-
    19-12-18(19)11-16-6-4-3-5
    -7-16)23(30)27-21(24(31)3
    7(33,34)35)13-17-8-9-26-2
    2(17)29/h15-21,24,31H,3-1
    4H2,1-2H3,(H4-,26,27,28,2
    9,30,32,33,34,35)/p+1/t17
    -,18+,19-,20-,21-,24-/m0/
    s1;
    PBWNADCYPGWHEB-IKEPQGCXSA-O    		 CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)
    C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(
    O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1C[C@H]1
    CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[
    C@@H](O)[S+](O)(O)=O; CC(C)CC(C(=O)NC(CC
    1CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C
    C3CCCCC3; CC(C)C[C@@H](C(=O)N[C@@H](C[C@
    @H]1CCNC1=O)[C@@H](O)[S+](=O)(O)O)NC(=O)
    OC[C@@H]2C[C@H]2CC3CCCCC3    		 [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    36609 S9V
    ZINC000000395845    		 1 C11 H15 Cl N2 O2 InChI=1S/C11H15ClN2O2/c1-
    11(2,7-15)14-10(16)13-9-5
    -3-8(12)4-6-9/h3-6,15H,7H
    2,1-2H3,(H2,13,14,16);
    DBHMCYWQGLNEQR-UHFFFAOYSA-N    		 CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl; CC(C)(CO)N
    C(=O)Nc1ccc(Cl)cc1    		 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
    36610 S9W 2 C25 H30 Br N3 O3 InChI=1S/C25H30BrN3O3/c26
    -22-6-4-20(5-7-22)17-28-1
    0-12-29(13-11-28)18-21-2-
    1-3-23(16-21)27-24(31)25(
    19-30)8-14-32-15-9-25/h1-
    7,16,19H,8-15,17-18H2,(H,
    27,31);
    PPXXFRMHSKGYSK-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC
    3)Cc4ccc(cc4)Br; Brc1ccc(CN2CCN(CC2)Cc3c
    ccc(NC(=O)C4(CCOCC4)C=O)c3)cc1    		 ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
    36611 S9X
    ZINC000001675140    		 0 C10 H21 N O2 InChI=1S/C10H21NO2/c1-3-5
    -7-10(11,9(12)13)8-6-4-2/
    h3-8,11H2,1-2H3,(H,12,13);
    CAITYLFVJGDODP-UHFFFAOYSA-N    		 CCCCC(CCCC)(C(=O)O)N; CCCCC(N)(CCCC)C(O)
    =O    		 2-azanyl-2-butyl-hexanal
    36612 S9Y 4 C18 H39 N O6 P InChI=1S/C18H38NO6P/c1-6-
    7-8-9-10-11-12-13-18(20)2
    5-17(2)16-24-26(21,22)23-
    15-14-19(3,4)5/h17H,6-16H
    2,1-5H3/p+1/t17-/m0/s1;
    QDKXDMCUNRVOEC-KRWDZBQOSA-O    		 CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+
    ](C)(C)C; CCCCCCCCCC(=O)O[C@@H](C)CO[P](
    O)(=O)OCC[N+](C)(C)C; CCCCCCCCCC(=O)OC(C
    )COP(=O)(O)OCC[N+](C)(C)C; CCCCCCCCCC(=O
    )O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C    		 2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
    36613 S9Z 2 C25 H30 Br N3 O3 InChI=1S/C25H30BrN3O3/c1-
    3-25(4-2,18-30)24(32)27-2
    2-7-5-6-20(16-22)23(31)29
    -14-12-28(13-15-29)17-19-
    8-10-21(26)11-9-19/h5-11,
    16,18H,3-4,12-15,17H2,1-2
    H3,(H,27,32);
    OHVWTLFLVCPRSC-UHFFFAOYSA-N    		 CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(C
    C2)Cc3ccc(Br)cc3; CCC(CC)(C=O)C(=O)Nc1cc
    cc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br    		 ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
    36614 SA0
    CHEMBL462997
    ZINC000003847505    		 3 C13 H18 O7 InChI=1S/C13H18O7/c14-5-7
    -3-1-2-4-8(7)19-13-12(18)
    11(17)10(16)9(6-15)20-13/
    h1-4,9-18H,5-6H2/t9-,10-,
    11+,12-,13-/m1/s1;
    NGFMICBWJRZIBI-UJPOAAIJSA-N    		 O(c1c(cccc1)CO)C2OC(C(O)C(O)C2O)CO; c1cc
    c(c(c1)CO)OC2C(C(C(C(O2)CO)O)O)O; OC[C@H
    ]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[
    C@@H]1O; c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@
    H]([C@@H]([C@H](O2)CO)O)O)O; OC[CH]1O[CH
    ](Oc2ccccc2CO)[CH](O)[CH](O)[CH]1O    		 2-(hydroxymethyl)phenyl beta-D-glucopyranoside;
    Salicin;
    2-(hydroxymethyl)phenyl beta-D-glucoside;
    2-(hydroxymethyl)phenyl D-glucoside;
    2-(hydroxymethyl)phenyl glucoside
    36615 SA1
    DB08515
    ZINC000036470930    		 16 C15 H21 N O4 InChI=1S/C15H21NO4/c1-14-
    11(7-8-20-14)13(19)16-15(
    14,9-17)12(18)10-5-3-2-4-
    6-10/h3,5,9-12,18H,2,4,6-
    8H2,1H3,(H,16,19)/t10-,11
    +,12+,14+,15-/m1/s1;
    YVABESCRHMBHJD-FUQNVFFISA-N    		 C[C]12OCC[CH]1C(=O)N[C]2(C=O)[CH](O)[CH]
    3CCCC=C3; C[C@@]12[C@@H](CCO1)C(=O)N[C@]
    2(C=O)[C@H]([C@H]3CCCC=C3)O; CC12C(CCO1)
    C(=O)NC2(C=O)C(C3CCCC=C3)O; C[C@]12OCC[C
    @H]1C(=O)N[C@]2(C=O)[C@@H](O)[C@H]3CCCC=
    C3; O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC
    3    		 (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE;
    Salinosporamide A, bound form
    36616 SA2
    ZINC000058650050    		 5 C13 H19 N O9 S InChI=1S/C13H19NO9S/c1-13
    (24(21)22,11(12(19)20)14-
    6-3-7-15)8-23-10(18)5-2-4
    -9(16)17/h3,6-7,11,14H,2,
    4-5,8H2,1H3,(H,16,17)(H,1
    9,20)(H,21,22)/b6-3+/t11-
    ,13-/m0/s1;
    ZLJAMSCQNNEARN-QDZHIHTESA-N    		 CC(COC(=O)CCCC(=O)O)(C(C(=O)O)NC=CC=O)S(
    =O)O; C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O
    )O)N\C=C\C=O)[S@](=O)O; C[C@](COC(=O)CCC
    C(O)=O)([C@@H](N\C=C\C=O)C(O)=O)[S@@](O)
    =O; C[C](COC(=O)CCCC(O)=O)([CH](NC=CC=O)
    C(O)=O)[S](O)=O; O=C(OCC(S(=O)O)(C(C(=O)
    O)N\C=C\C=O)C)CCCC(=O)O    		 (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE;
    4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID
    36617 SA3 1 C26 H21 N3 O9 InChI=1S/C26H21N3O9/c30-7
    -14-21(33)22(34)23(35)26(
    38-14)29-13-6-9(32)2-4-11
    (13)16-18-17(24(36)28-25(
    18)37)15-10-3-1-8(31)5-12
    (10)27-19(15)20(16)29/h1-
    6,14,21-23,26-27,30-35H,7
    H2,(H,28,36,37)/t14-,21-,
    22+,23-,26?/m1/s1;
    URWNZLQOQBNPOF-FQCBRIBZSA-N    		 c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6
    )O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O
    )O)C(=O)NC4=O; c1cc2c(cc1O)[nH]c3c2c4c(c
    5c3n(c6c5ccc(c6)O)C7C(C(C(C(O7)CO)O)O)O)
    C(=O)NC4=O; OC[CH]1O[CH]([CH](O)[CH](O)[
    CH]1O)n2c3cc(O)ccc3c4c2c5[nH]c6cc(O)ccc6
    c5c7C(=O)NC(=O)c47; OC[C@H]1O[C@@H]([C@H
    ](O)[C@@H](O)[C@@H]1O)n2c3cc(O)ccc3c4c2c
    5[nH]c6cc(O)ccc6c5c7C(=O)NC(=O)c47; O=C2
    c1c6c(c4c(c1C(=O)N2)c3ccc(O)cc3n4)n(c5cc
    (O)ccc56)C7OC(C(O)C(O)C7O)CO    		 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE
    36618 SA6
    ZINC000058650052    		 14 C15 H23 N O4 InChI=1S/C15H23NO4/c1-3-1
    1-13(19)16-15(9-17,14(11,
    2)20)12(18)10-7-5-4-6-8-1
    0/h5,7,9-12,18,20H,3-4,6,
    8H2,1-2H3,(H,16,19)/t10-,
    11+,12+,14+,15-/m1/s1;
    HSXZBJZQFUJQNN-FUQNVFFISA-N    		 CCC1C(=O)NC(C1(C)O)(C=O)C(C2CCCC=C2)O; C
    C[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H](
    [C@H]2CCCC=C2)O; CC[C@H]1C(=O)N[C@](C=O)
    ([C@@H](O)[C@H]2CCCC=C2)[C@@]1(C)O; O=CC
    1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2; CC[CH
    ]1C(=O)N[C](C=O)([CH](O)[CH]2CCCC=C2)[C]
    1(C)O    		 (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
    36619 SA8
    CHEMBL1235825
    DB03458    		 15 C15 H23 N7 O5 InChI=1S/C15H23N7O5/c1-21
    (3-2-7(16)15(25)26)4-8-10
    (23)11(24)14(27-8)22-6-20
    -9-12(17)18-5-19-13(9)22/
    h5-8,10-11,14,23-24H,2-4,
    16H2,1H3,(H,25,26)(H2,17,
    18,19)/t7-,8+,10+,11+,14+
    /m0/s1;
    JISVTSUBJCPLSV-TWBCTODHSA-N    		 CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc
    3N)O)O; CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([
    CH](O)[CH]1O)n2cnc3c(N)ncnc23; CN(CC[C@H
    ](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1
    O)n2cnc3c(N)ncnc23; O=C(O)C(N)CCN(C)CC3O
    C(n2cnc1c(ncnc12)N)C(O)C3O; C[N@@](CC[C@
    @H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](
    O1)n2cnc3c2ncnc3N)O)O    		 S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE;
    5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE
    36620 SA9
    CHEMBL280802
    ZINC000000002054    		 0 C7 H8 O2 InChI=1S/C7H8O2/c8-5-6-3-
    1-2-4-7(6)9/h1-4,8-9H,5H2;
    CQRYARSYNCAZFO-UHFFFAOYSA-N    		 c1ccc(c(c1)CO)O; OCc1ccccc1O 2-(hydroxymethyl)phenol
    36621 SAA 0 C9 H10 O3 InChI=1/C9H10O3/c1-9(12,8
    (10)11)7-5-3-2-4-6-7/h2-6
    ,12H,1H3,(H,10,11)/t9-/m0
    /s1/f/h10H;
    NWCHELUCVWSRRS-DXYXSKIKDD    		 CC(c1ccccc1)(C(=O)O)O; O=C(O)C(O)(c1cccc
    c1)C; C[C@](c1ccccc1)(C(=O)O)O; C[C](O)(
    C(O)=O)c1ccccc1; C[C@@](O)(C(O)=O)c1cccc
    c1    		 (S)-ATROLACTIC ACID;
    (S)-2-HYDROXY-2-PHENYLPROPIONIC ACID;
    (S)-ALPHA-METHYLMANDELIC ACID
    36622 SAB
    CHEMBL331282
    DB03697    		 1 C11 H17 N3 O3 S InChI=1S/C11H17N3O3S/c12-
    7-1-2-8-14-11(15)9-3-5-10
    (6-4-9)18(13,16)17/h3-6H,
    1-2,7-8,12H2,(H,14,15)(H2
    ,13,16,17);
    ZDYFRIZTYRFPJC-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N; O=S(=O)
    (N)c1ccc(C(=O)NCCCCN)cc1; NCCCCNC(=O)c1c
    cc(cc1)[S](N)(=O)=O    		 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
    36623 SAC
    DB02340
    ZINC000000158173    		 13 C5 H9 N O4 InChI=1S/C5H9NO4/c1-3(8)6
    -4(2-7)5(9)10/h4,7H,2H2,1
    H3,(H,6,8)(H,9,10)/t4-/m0
    /s1;
    JJIHLJJYMXLCOY-BYPYZUCNSA-N    		 CC(=O)N[C@@H](CO)C(=O)O; CC(=O)NC(CO)C(=
    O)O; CC(=O)N[C@@H](CO)C(O)=O; O=C(O)C(NC
    (=O)C)CO; CC(=O)N[CH](CO)C(O)=O    		 N-ACETYL-SERINE
    36624 SAD 1 C20 H27 N7 O13 P2 Se InChI=1S/C20H27N7O13P2Se/
    c21-16-10-18(24-4-23-16)2
    7(5-25-10)20-14(31)12(29)
    9(40-20)2-38-42(35,36)6-4
    1(33,34)37-1-8-11(28)13(3
    0)15(39-8)19-26-7(3-43-19
    )17(22)32/h3-5,8-9,11-15,
    20,28-31H,1-2,6H2,(H2,22,
    32)(H,33,34)(H,35,36)(H2,
    21,23,24)/t8-,9-,11-,12+,
    13+,14+,15-,20-/m1/s1;
    BQVYVGJIUMNETO-SFUJTQNPSA-N    		 O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)C
    P(=O)(O)OCC5OC(c4nc(c[se]4)C(=O)N)C(O)C5
    O; c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H
    ](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C
    @H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O
    )O)O)C(=O)N; c1c(nc([se]1)C2C(C(C(O2)COP
    (=O)(CP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)O)C(=O)N; NC(=O)c1c[se]c(n1)[C
    H]2O[CH](CO[P](O)(=O)C[P](O)(=O)OC[CH]3O
    [CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH]
    (O)[CH]2O; NC(=O)c1c[se]c(n1)[C@@H]2O[C@
    H](CO[P@](O)(=O)C[P@](O)(=O)OC[C@H]3O[C@
    H]([C@@H](O)[C@H]3O)n4cnc5c(N)ncnc45)[C@
    @H](O)[C@@H]2O    		 BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE
    36625 SAE
    CHEMBL451855
    DB03070    		 2 C19 H25 N7 O14 P2 Se InChI=1S/C19H25N7O14P2Se/
    c20-15-9-17(23-4-22-15)26
    (5-24-9)19-13(30)11(28)8(
    39-19)2-37-42(34,35)40-41
    (32,33)36-1-7-10(27)12(29
    )14(38-7)18-25-6(3-43-18)
    16(21)31/h3-5,7-8,10-14,1
    9,27-30H,1-2H2,(H2,21,31)
    (H,32,33)(H,34,35)(H2,20,
    22,23)/t7-,8-,10-,11-,12-
    ,13-,14-,19-/m1/s1;
    SKNBJMQZTZPCPF-QZTLEVGFSA-N    		 c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O
    2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C
    @H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O
    )O)C(=O)N; NC(=O)c1c[se]c(n1)[CH]2O[CH](
    CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH]
    (O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
    ; NC(=O)c1c[se]c(n1)[C@@H]2O[C@H](CO[P@]
    (O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](
    O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@
    H]2O; c1c(nc([se]1)C2C(C(C(O2)COP(=O)(O)
    OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O
    )O)O)C(=O)N; O=P(O)(OCC3OC(n1c2ncnc(N)c2
    nc1)C(O)C3O)OP(=O)(O)OCC5OC(c4nc(c[se]4)
    C(=O)N)C(O)C5O    		 SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE
    36626 SAF
    DB04556
    ZINC000003591018    		 2 C10 H15 N O InChI=1S/C10H15NO/c1-8(11
    (2)3)9-5-4-6-10(12)7-9/h4
    -8,12H,1-3H3/t8-/m0/s1;
    GQZXRLWUYONVCP-QMMMGPOBSA-N    		 C[C@H](N(C)C)c1cccc(O)c1; CC(c1cccc(c1)O
    )N(C)C; Oc1cc(ccc1)C(N(C)C)C; C[C@@H](c1
    cccc(c1)O)N(C)C; C[CH](N(C)C)c1cccc(O)c1    		 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL
    36627 SAG
    DB08516
    ZINC000034883237    		 2 C17 H17 F N2 O2 InChI=1S/C17H17FN2O2/c1-1
    2(17(19)21)20-10-13-5-7-1
    6(8-6-13)22-11-14-3-2-4-1
    5(18)9-14/h2-10,12H,11H2,
    1H3,(H2,19,21)/b20-10+/t1
    2-/m0/s1;
    RJJDIVMWGWHPFE-QDBSGRMGSA-N    		 CC(C(=O)N)N=Cc1ccc(cc1)OCc2cccc(c2)F; C[
    C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)
    F; O=C(N)C(/N=C/c2ccc(OCc1cccc(F)c1)cc2)
    C; C[C@H](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(N
    )=O; C[CH](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(
    N)=O    		 (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE];
    SAFINAMIDE
    36628 SAH
    CHEMBL418052
    DB01752
    ZINC000004228232    		 2685 C14 H20 N6 O5 S InChI=1S/C14H20N6O5S/c15-
    6(14(23)24)1-2-26-3-7-9(2
    1)10(22)13(25-7)20-5-19-8
    -11(16)17-4-18-12(8)20/h4
    -7,9-10,13,21-22H,1-3,15H
    2,(H,23,24)(H2,16,17,18)/
    t6-,7+,9+,10+,13+/m0/s1;
    ZJUKTBDSGOFHSH-WFMPWKQPSA-N    		 N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc
    3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n(cn2)C3
    C(C(C(O3)CSCCC(C(=O)O)N)O)O)N; N[C@@H](C
    CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c
    (N)ncnc23)C(O)=O; O=C(O)C(N)CCSCC3OC(n2c
    nc1c(ncnc12)N)C(O)C3O; c1nc(c2c(n1)n(cn2
    )[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H]
    (C(=O)O)N)O)O)N    		 S-ADENOSYL-L-HOMOCYSTEINE
    36629 SAI
    DB03423    		 5 C14 H20 N6 O5 Se InChI=1S/C14H20N6O5Se/c15
    -6(14(23)24)1-2-26-3-7-9(
    21)10(22)13(25-7)20-5-19-
    8-11(16)17-4-18-12(8)20/h
    4-7,9-10,13,21-22H,1-3,15
    H2,(H,23,24)(H2,16,17,18)
    /t6-,7+,9+,10+,13+/m0/s1;
    UVSMMLABJBJNGH-WFMPWKQPSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C[Se]CCC(C(
    =O)O)N)O)O)N; N[CH](CC[Se]C[CH]1O[CH]([C
    H](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O; O=C
    (O)C(N)CC[Se]CC3OC(n2cnc1c(ncnc12)N)C(O)
    C3O; N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O
    )[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O; c1nc(
    c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O
    3)C[Se]CC[C@@H](C(=O)O)N)O)O)N    		 S-ADENOSYL-L-HOMOSELENOCYSTEINE
    36630 SAJ
    ZINC000008220406    		 4 C17 H25 N3 O18 P2 InChI=1S/C17H25N3O18P2/c1
    -5(21)18-8-10(24)11(25)13
    (15(27)28)36-16(8)37-40(3
    2,33)38-39(30,31)34-4-6-9
    (23)12(26)14(35-6)20-3-2-
    7(22)19-17(20)29/h2-3,6,8
    -14,16,23-26H,4H2,1H3,(H,
    18,21)(H,27,28)(H,30,31)(
    H,32,33)(H,19,22,29)/t6-,
    8+,9-,10-,11+,12-,13+,14-
    ,16-/m1/s1;
    DZOGQXKQLXAPND-XHUKORKBSA-N    		 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O;
    CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]
    1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](
    [C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O
    ; O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(
    OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)
    O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](O[CH]1
    O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](
    O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O; CC(=O)N
    [C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[P
    ](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](
    O)[C@@H]2O)N3C=CC(=O)NC3=O)C(O)=O
    36631 SAK
    CHEMBL448297
    DB08517
    ZINC000000338284    		 4 C16 H14 O5 InChI=1S/C16H14O5/c1-20-1
    1-6-12(18)16-13(19)8-14(2
    1-15(16)7-11)9-2-4-10(17)
    5-3-9/h2-7,14,17-18H,8H2,
    1H3/t14-/m0/s1;
    DJOJDHGQRNZXQQ-AWEZNQCLSA-N    		 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)
    O; COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O;
    COc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)cc3
    ; O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O;
    COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3    		 (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one;
    sakuranetin
    36632 SAL
    CHEMBL424
    DB00936
    ZINC000000001554    		 31 C7 H6 O3 InChI=1S/C7H6O3/c8-6-4-2-
    1-3-5(6)7(9)10/h1-4,8H,(H
    ,9,10);
    YGSDEFSMJLZEOE-UHFFFAOYSA-N    		 O=C(O)c1ccccc1O; c1ccc(c(c1)C(=O)O)O; OC
    (=O)c1ccccc1O    		 2-HYDROXYBENZOIC ACID;
    SALICYLIC ACID
    36633 SAM
    CHEMBL1235831    		 1399 C15 H22 N6 O5 S InChI=1S/C15H22N6O5S/c1-2
    7(3-2-7(16)15(24)25)4-8-1
    0(22)11(23)14(26-8)21-6-2
    0-9-12(17)18-5-19-13(9)21
    /h5-8,10-11,14,22-23H,2-4
    ,16H2,1H3,(H2-,17,18,19,2
    4,25)/t7-,8+,10+,11+,14+,
    27-/m0/s1;
    MEFKEPWMEQBLKI-FCKMPRQPSA-N    		 C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H
    ]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; C[S
    +](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2n
    cnc3N)O)O; C[S+](CC[CH](N)C([O-])=O)C[CH
    ]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;
    C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; [
    O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3O    		 S-ADENOSYLMETHIONINE
    36634 SAN
    CHEMBL21
    DB00259
    ZINC000000002101    		 10 C6 H8 N2 O2 S InChI=1S/C6H8N2O2S/c7-5-1
    -3-6(4-2-5)11(8,9)10/h1-4
    H,7H2,(H2,8,9,10);
    FDDDEECHVMSUSB-UHFFFAOYSA-N    		 c1cc(ccc1N)S(=O)(=O)N; Nc1ccc(cc1)[S](N)
    (=O)=O; O=S(=O)(c1ccc(N)cc1)N    		 SULFANILAMIDE
    36635 SAO 14 C14 H21 N6 O5 S InChI=1S/C14H20N6O5S/c15-
    6(14(23)24)1-2-26-3-7-9(2
    1)10(22)13(25-7)20-5-19-8
    -11(16)17-4-18-12(8)20/h4
    -7,9-10,13,21-22H,1-3,15H
    2,(H,23,24)(H2,16,17,18)/
    p+1/t6-,7+,9+,10+,13+/m0/
    s1;
    ZJUKTBDSGOFHSH-WFMPWKQPSA-O    		 [NH3+]C(C(O)=O)CCSCC1OC(C(C1O)O)n2cnc3c2
    ncnc3N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])
    O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CSC
    C[C@H]([NH3+])C(O)=O)[C@@H](O)[C@H]3O; c
    1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O
    )[NH3+])O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH
    ](CSCC[CH]([NH3+])C(O)=O)[CH](O)[CH]3O    		 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine;
    S-ADENOSYL-L-HOMOCYSTEINE
    36636 SAP 0 C10 H16 N5 O12 P3 S InChI=1S/C10H16N5O12P3S/c
    11-8-5-9(13-2-12-8)15(3-1
    4-5)10-7(17)6(16)4(25-10)
    1-24-28(18,19)26-29(20,21
    )27-30(22,23)31/h2-4,6-7,
    10,16-17H,1H2,(H,18,19)(H
    ,20,21)(H2,11,12,13)(H2,2
    2,23,31)/t4-,6-,7-,10-/m1
    /s1;
    NLTUCYMLOPLUHL-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=S)(O)O)O)O)N; Nc1ncnc2n(cnc1
    2)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O
    [P](O)(O)=S)[C@@H](O)[C@H]3O; Nc1ncnc2n(
    cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)
    O[P](O)(O)=S)[CH](O)[CH]3O; O=P(O)(OP(=S
    )(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C
    (O)C3O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O
    )OP(=S)(O)O)O)O)N    		 ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
    36637 SAQ
    CHEMBL1235832
    ZINC000058638515    		 1 C14 H11 N5 O S InChI=1S/C14H11N5OS/c20-1
    3-9-4-11-12(5-10(9)16-7-1
    7-13)19-14(18-11)15-6-8-2
    -1-3-21-8/h1-5,7H,6H2,(H2
    ,15,18,19)(H,16,17,20);
    FVWYYSMTACIDCC-UHFFFAOYSA-N    		 O=C1NC=Nc2cc3nc(NCc4sccc4)[nH]c3cc12; O=
    C1c2cc3nc(nc3cc2N=CN1)NCc4sccc4; c1cc(sc
    1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O    		 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    2-[(2-Thienylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    36638 SAR
    CHEMBL304383
    DB12519
    ZINC000004658561    		 6 C3 H7 N O2 InChI=1S/C3H7NO2/c1-4-2-3
    (5)6/h4H,2H2,1H3,(H,5,6);
    FSYKKLYZXJSNPZ-UHFFFAOYSA-N    		 O=C(O)CNC; CNCC(O)=O; CNCC(=O)O SARCOSINE
    36639 SAS
    CHEMBL421
    DB00795
    ZINC000003831490    		 14 C18 H14 N4 O5 S InChI=1S/C18H14N4O5S/c23-
    16-9-6-13(11-15(16)18(24)
    25)21-20-12-4-7-14(8-5-12
    )28(26,27)22-17-3-1-2-10-
    19-17/h1-11,23H,(H,19,22)
    (H,24,25)/b21-20+;
    NCEXYHBECQHGNR-QZQOTICOSA-N    		 OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[S](=O)(=O
    )Nc3ccccn3; O=S(=O)(Nc1ncccc1)c3ccc(/N=N
    /c2cc(C(=O)O)c(O)cc2)cc3; c1ccnc(c1)NS(=
    O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O
    ; c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc
    (c(c3)C(=O)O)O    		 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID;
    SULFASALAZINE
    36640 SAT
    ZINC000004429660    		 3 C2 H4 O5 S InChI=1S/C2H4O5S/c3-2(4)1
    -8(5,6)7/h1H2,(H,3,4)(H,5
    ,6,7);
    AGGIJOLULBJGTQ-UHFFFAOYSA-N    		 OC(=O)C[S](O)(=O)=O; O=C(O)CS(=O)(=O)O;
    C(C(=O)O)S(=O)(=O)O    		 sulfoacetic acid
    36641 SAU
    CHEMBL417799
    ZINC000000000706    		 7 C20 H14 N O4 InChI=1S/C20H14NO4/c1-21-
    8-15-12(4-5-16-20(15)25-1
    0-22-16)13-3-2-11-6-17-18
    (24-9-23-17)7-14(11)19(13
    )21/h2-8H,9-10H2,1H3/q+1;
    INVGWHRKADIJHF-UHFFFAOYSA-N    		 C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)
    OCO6; O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc
    4OCOc4cc56)C; C[n+]1cc2c3OCOc3ccc2c4ccc5
    cc6OCOc6cc5c14    		 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium;
    Sanguinarine
    36642 SAV
    CHEMBL479079
    DB08519
    ZINC000004617990    		 2 C21 H22 N6 O3 InChI=1S/C21H22N6O3/c1-12
    -15-6-5-13(9-16(15)27-26-
    12)23-19-7-8-22-21(25-19)
    24-14-10-17(28-2)20(30-4)
    18(11-14)29-3/h5-11H,1-4H
    3,(H,26,27)(H2,22,23,24,2
    5);
    SQQAPOSROFWHIB-UHFFFAOYSA-N    		 COc1cc(Nc2nccc(Nc3ccc4c([nH]nc4C)c3)n2)c
    c(OC)c1OC; Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3
    )Nc4cc(c(c(c4)OC)OC)OC; O(c1cc(cc(OC)c1O
    C)Nc2nccc(n2)Nc3ccc4c(c3)nnc4C)C    		 N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
    36643 SAW
    ZINC000263620960    		 1 C31 H45 N3 O4 S InChI=1S/C31H45N3O4S/c1-3
    4(2)27-13-9-12-26-25(27)1
    1-10-14-28(26)39(37,38)33
    -16-8-6-4-3-5-7-15-32-29(
    35)30-18-23-17-24(19-30)2
    1-31(36,20-23)22-30/h9-14
    ,23-24,33,36H,3-8,15-22H2
    ,1-2H3,(H,32,35)/t23-,24+
    ,30+,31-;
    QYUIKZYGGOEEAP-DAYYVEFESA-N    		 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCN
    C(=O)[C]34C[CH]5[CH2][CH](C[C](O)(C5)C3)
    C4; CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCC
    CCCNC(=O)[C]34C[C@@H]5[CH2][C@@H](C[C](O
    )(C5)C3)C4; CN(C)c1cccc2c1cccc2S(=O)(=O)
    NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C
    5)(C4)O; CN(C)c1cccc2c1cccc2S(=O)(=O)NCC
    CCCCCCNC(=O)C34CC5CC(C3)CC(C5)(C4)O; O=S
    (=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=
    O)C34CC5CC(O)(C3)CC(C4)C5    		 (1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
    36644 SAX
    CHEMBL98784
    ZINC000038155534    		 3 C19 H30 O4 InChI=1S/C19H30O4/c1-2-3-
    4-5-6-7-8-9-10-11-15-23-1
    7-14-12-13-16(20)18(17)19
    (21)22/h12-14,20H,2-11,15
    H2,1H3,(H,21,22);
    HMYWVVRALHTQJQ-UHFFFAOYSA-N    		 CCCCCCCCCCCCOc1cccc(c1C(=O)O)O; CCCCCCCC
    CCCCOc1cccc(O)c1C(O)=O; O=C(O)c1c(O)cccc
    1OCCCCCCCCCCCC    		 2-(dodecyloxy)-6-hydroxybenzoic acid
    36645 SAY
    ZINC000098209393    		 0 C12 H15 O8 P InChI=1S/C12H15O8P/c13-5-
    8-2-1-7(3-9(8)14)11-4-10(
    15)12(20-11)6-19-21(16,17
    )18/h1-3,5,10-12,14-15H,4
    ,6H2,(H2,16,17,18)/t10-,1
    1+,12+/m0/s1;
    PCWRNNXGJWWYRH-QJPTWQEYSA-N    		 c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)
    (O)O)O)O)C=O; O[CH]1C[CH](O[CH]1CO[P](O)
    (O)=O)c2ccc(C=O)c(O)c2; O[C@H]1C[C@@H](O
    [C@@H]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2; c
    1cc(c(cc1C2CC(C(O2)COP(=O)(O)O)O)O)C=O    		 [(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate;
    2'-DEOXY-1'-(3-HYDROXY-4-FORMYLPHENYL)RIBOSE-5'-MONOPHOSPHATE
    36646 SAZ
    DB02099    		 7 C14 H26 N InChI=1S/C14H25N/c1-12(2)
    6-5-11-15(4)14-9-7-13(3)8
    -10-14/h6-7,14H,5,8-11H2,
    1-4H3/p+1/t14-/m0/s1;
    GGPFTSMJRHEOJG-AWEZNQCLSA-O    		 CC1=CCC(CC1)[NH+](C)CCC=C(C)C; C1=C(C)CC
    C([NH+](C)CC\C=C(/C)C)C1; CC1=CC[C@@H](C
    C1)[N@@H+](C)CCC=C(C)C; C[NH+](CCC=C(C)C
    )[CH]1CCC(=CC1)C; C[NH+](CCC=C(C)C)[C@@H
    ]1CCC(=CC1)C    		 (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM;
    (4S)-7-AZABISABOLENE;
    S-AZABISABOLENE
    36647 SB 9 Sb InChI=1S/Sb/q+3;
    FAWGZAFXDJGWBB-UHFFFAOYSA-N    		 [Sb+3] ANTIMONY (III) ION
    36648 SB0
    CHEMBL97162
    ZINC000147701032    		 1 C20 H21 F N4 O2 InChI=1S/C20H21FN4O2/c1-2
    7-20-22-11-10-17(24-20)19
    -18(13-2-4-14(21)5-3-13)2
    3-12-25(19)15-6-8-16(26)9
    -7-15/h2-5,10-12,15-16,26
    H,6-9H2,1H3/t15-,16-;
    ZQUSFAUAYSEREK-WKILWMFISA-N    		 COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc
    4)F; Fc4ccc(c1ncn(c1c2nc(OC)ncc2)C3CCC(O
    )CC3)cc4; COc1nccc(n1)c2n(cnc2c3ccc(F)cc
    3)[CH]4CC[CH](O)CC4; COc1nccc(n1)c2n(cnc
    2c3ccc(F)cc3)[C@@H]4CC[C@@H](O)CC4    		 trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol
    36649 SB1
    CHEMBL1235837
    DB08520
    ZINC000005963681    		 2 C24 H39 N O6 InChI=1S/C24H39NO6/c1-24(
    2)18-31-20(26)15-10-8-6-4
    -3-5-7-9-13-17-30-23(29)1
    9-14-11-12-16-25(19)22(28
    )21(24)27/h19H,3-18H2,1-2
    H3/t19-/m0/s1;
    VUCSBBBCFXBFFY-IBGZPJMESA-N    		 CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN
    2C(=O)C1=O)C; CC1(C)COC(=O)CCCCCCCCCCCOC
    (=O)[CH]2CCCCN2C(=O)C1=O; CC1(COC(=O)CCC
    CCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C; O=C1O
    CCCCCCCCCCCC(=O)OCC(C(=O)C(=O)N2C1CCCC2)
    (C)C; CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@
    H]2CCCCN2C(=O)C1=O    		 (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE
    36650 SB2
    ZINC000003815700    		 12 C21 H16 F N3 O S InChI=1S/C21H16FN3OS/c1-2
    7(26)18-8-4-16(5-9-18)21-
    24-19(14-2-6-17(22)7-3-14
    )20(25-21)15-10-12-23-13-
    11-15/h2-13H,1H3,(H,24,25
    )/t27-/m0/s1;
    CDMGBJANTYXAIV-MHZLTWQESA-N    		 C[S@](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2
    )c4ccc(F)cc4; C[S](=O)c1ccc(cc1)c2[nH]c(
    c3ccncc3)c(n2)c4ccc(F)cc4; CS(=O)c1ccc(c
    c1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4; Fc
    4ccc(c2nc(c1ccc(S(=O)C)cc1)nc2c3ccncc3)c
    c4; C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3cc
    c(cc3)F)c4ccncc4    		 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
    36651 SB3
    CHEMBL126568
    ZINC000011325690    		 1 C28 H35 N O4 InChI=1S/C28H35NO4/c1-4-2
    8(2,3)25(30)26(31)29-20-1
    2-11-17-23(29)27(32)33-24
    (22-15-9-6-10-16-22)19-18
    -21-13-7-5-8-14-21/h5-10,
    13-16,23-24H,4,11-12,17-2
    0H2,1-3H3/t23-,24+/m0/s1;
    WQTIHJORCCUQBO-BJKOFHAPSA-N    		 CCC(C)(C)C(=O)C(=O)N1CCCC[CH]1C(=O)O[CH]
    (CCc2ccccc2)c3ccccc3; CCC(C)(C)C(=O)C(=O
    )N1CCCCC1C(=O)OC(CCc2ccccc2)c3ccccc3; O=
    C(C(=O)C(C)(C)CC)N3C(C(=O)OC(c1ccccc1)CC
    c2ccccc2)CCCC3; CCC(C)(C)C(=O)C(=O)N1CCC
    C[C@H]1C(=O)O[C@H](CCc2ccccc2)c3ccccc3;
    CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(C
    Cc2ccccc2)c3ccccc3    		 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
    36652 SB4
    CHEMBL274064
    DB04338
    ZINC000000007258    		 26 C18 H19 F N6 InChI=1S/C18H19FN6/c19-13
    -3-1-12(2-4-13)16-17(15-7
    -10-22-18(20)24-15)25(11-
    23-16)14-5-8-21-9-6-14/h1
    -4,7,10-11,14,21H,5-6,8-9
    H2,(H2,20,22,24);
    VSPFURGQAYMVAN-UHFFFAOYSA-N    		 Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCNCC4;
    c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N
    )F; Fc1ccc(cc1)c3ncn(c3c2nc(ncc2)N)C4CCN
    CC4    		 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE;
    SB220025
    36653 SB5
    CHEMBL590753
    DB03980    		 1 C17 H16 F N5 InChI=1S/C17H16FN5/c18-13
    -5-3-12(4-6-13)15-16(14-7
    -8-20-17(19)22-14)23(10-2
    1-15)9-11-1-2-11/h3-8,10-
    11H,1-2,9H2,(H2,19,20,22);
    DFEYXQGDDCDXJK-UHFFFAOYSA-N    		 c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F;
    Nc1nccc(n1)c2n(CC3CC3)cnc2c4ccc(F)cc4;
    Fc4ccc(c1ncn(c1c2nc(ncc2)N)CC3CC3)cc4    		 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
    36654 SB6
    CHEMBL96741
    DB08522
    ZINC000002047872    		 1 C18 H16 F N3 InChI=1S/C18H16FN3/c19-16
    -5-3-14(4-6-16)17-18(15-7
    -9-20-10-8-15)22(12-21-17
    )11-13-1-2-13/h3-10,12-13
    H,1-2,11H2;
    ROKOFZNQCIIJMI-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2ncn(CC3CC3)c2c4ccncc4; c1cc
    (ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F; Fc4ccc
    (c1ncn(c1c2ccncc2)CC3CC3)cc4    		 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE;
    SB216995;
    PYRIDINYLIMIDAZOLE
    36655 SB7
    DB08523
    ZINC000033821513    		 4 C10 H15 N O2 InChI=1S/C10H15NO2/c12-9-
    11(13)8-4-7-10-5-2-1-3-6-
    10/h1-3,5-6,12-13H,4,7-9H
    2;
    GELOPWXSYZDPJT-UHFFFAOYSA-N    		 c1ccc(cc1)CCCN(CO)O; OCN(O)CCCc1ccccc1 [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL;
    SB-485345
    36656 SB8
    DB08524
    ZINC000014976917    		 1 C16 H15 N O4 InChI=1S/C16H15NO4/c18-12
    -17(20)9-10-21-15-8-4-7-1
    4(11-15)16(19)13-5-2-1-3-
    6-13/h1-8,11-12,20H,9-10H
    2;
    ZHFKBNAHHTUQBH-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O; O=C
    N(O)CCOc1cc(ccc1)C(=O)c2ccccc2; ON(CCOc1
    cccc(c1)C(=O)c2ccccc2)C=O    		 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE;
    SB-543668
    36657 SB9
    DB08525
    ZINC000014976920    		 1 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c1-9-
    4-2-5-10(11-9)6-3-7-12(14
    )8-13/h2,4-5,8,14H,3,6-7H
    2,1H3;
    FJYUGRZKJXCRFF-UHFFFAOYSA-N    		 Cc1cccc(n1)CCCN(C=O)O; Cc1cccc(CCCN(O)C=
    O)n1; O=CN(O)CCCc1nc(ccc1)C    		 HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE;
    SB-505684
    36658 SBA
    DB08526
    ZINC000033821514    		 1 C22 H36 N2 O5 InChI=1S/C22H36N2O5/c1-15
    (2)11-18(20(25)14-28-5)23
    -21(26)19(12-16(3)4)24-22
    (27)29-13-17-9-7-6-8-10-1
    7/h6-10,15-16,18-20,25H,1
    1-14H2,1-5H3,(H,23,26)(H,
    24,27)/t18-,19-,20+/m0/s1;
    LHCNZPLAATYYPI-SLFFLAALSA-N    		 CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC
    (C)C)NC(=O)OCc1ccccc1; O=C(NC(CC(C)C)C(O
    )COC)C(NC(=O)OCc1ccccc1)CC(C)C; COC[CH](
    O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OC
    c1ccccc1; CC(C)CC(C(COC)O)NC(=O)C(CC(C)C
    )NC(=O)OCc1ccccc1; COC[C@@H](O)[C@H](CC(
    C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1    		 CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE
    36659 SBB
    DB03596
    ZINC000005493884    		 1 C19 H21 N3 O3 S InChI=1S/C19H21N3O3S/c1-2
    -13(15-5-8-18-16(11-15)9-
    10-21-18)12-22-19(23)14-3
    -6-17(7-4-14)26(20,24)25/
    h3-11,13,21H,2,12H2,1H3,(
    H,22,23)(H2,20,24,25)/t13
    -/m1/s1;
    FSRPBGBMEKDSIJ-CYBMUJFWSA-N    		 CC[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)c2c
    cc3[nH]ccc3c2; CC[C@H](CNC(=O)c1ccc(cc1)
    [S](N)(=O)=O)c2ccc3[nH]ccc3c2; CC[C@H](C
    NC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc
    [nH]3; CCC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)c
    2ccc3c(c2)cc[nH]3; O=S(=O)(N)c1ccc(cc1)C
    (=O)NCC(c2cc3c(cc2)ncc3)CC    		 N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE
    36660 SBC
    CHEMBL360520
    DB08527
    ZINC000014945777    		 2 C15 H12 N6 O3 S InChI=1S/C15H12N6O3S/c16-
    15(22)13-10-5-6-12-11(7-1
    8-19-12)14(10)21(20-13)8-
    1-3-9(4-2-8)25(17,23)24/h
    1-7H,(H2,16,22)(H,18,19)(
    H2,17,23,24);
    HGAKLLFPOGATII-UHFFFAOYSA-N    		 NC(=O)c1nn(c2ccc(cc2)[S](N)(=O)=O)c3c4cn
    [nH]c4ccc13; c1cc(ccc1n2c3c(ccc4c3cn[nH]
    4)c(n2)C(=O)N)S(=O)(=O)N; O=S(=O)(N)c1cc
    c(cc1)n4nc(c3c4c2cnnc2cc3)C(=O)N    		 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE;
    1-(4-SULFAMOYL-PHENYL)-1,4,5,6-TETRAHYDRO-BENZO-DIPYRAZOLE-3-CARBOXYLIC ACID AMIDE
    36661 SBD
    DB02677
    ZINC000169748476    		 0 C17 H22 B N2 O6 InChI=1S/C17H22BN2O6/c1-1
    1(21)20-16(18(24,25)26-10
    -15(19)17(22)23)9-13-7-4-
    6-12-5-2-3-8-14(12)13/h2-
    8,15-16,24-25H,9-10,19H2,
    1H3,(H,20,21)(H,22,23)/q-
    1/t15-,16+/m0/s1;
    KJSNEFAXFLDDDR-JKSUJKDBSA-N    		 [B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OCC
    (C(=O)O)N; [B-]([C@@H](Cc1cccc2c1cccc2)N
    C(=O)C)(O)(O)OC[C@@H](C(=O)O)N; CC(=O)N[
    C@H](Cc1cccc2ccccc12)[B-](O)(O)OC[C@H](N
    )C(O)=O; CC(=O)N[CH](Cc1cccc2ccccc12)[B-
    ](O)(O)OC[CH](N)C(O)=O; O=C(O)C(N)CO[B-]
    (O)(O)C(NC(=O)C)Cc2cccc1ccccc12    		 D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
    36662 SBE
    DB04369    		 1 C2 H5 B O3 InChI=1S/C2H5BO3/c4-3-5-1
    -2-6-3/h4H,1-2H2;
    ZBEDLGKSWBORBS-UHFFFAOYSA-N    		 OB1OCCO1; B1(OCCO1)O 1,3,2-DIOXABOROLAN-2-OL
    36663 SBF 1 C32 H47 N3 O3 S InChI=1S/C32H47N3O3S/c1-3
    5(2)29-13-9-12-28-27(29)1
    1-10-14-30(28)39(37,38)34
    -16-8-6-4-3-5-7-15-33-31(
    36)23-32-20-24-17-25(21-3
    2)19-26(18-24)22-32/h9-14
    ,24-26,34H,3-8,15-23H2,1-
    2H3,(H,33,36)/t24-,25+,26
    -,32-;
    TVVCEXXSODKKQE-VGUGBWKQSA-N    		 O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCN
    C(=O)CC35CC4CC(CC(C3)C4)C5; CN(C)c1cccc2
    c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC
    (C3)CC(C5)C4; CN(C)c1cccc2c1cccc2[S](=O)
    (=O)NCCCCCCCCNC(=O)C[C]34C[CH]5[CH2]C([C
    H2][CH](C5)C3)C4    		 N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
    36664 SBG
    ZINC000058638611    		 0 C4 H10 N O5 P InChI=1S/C4H10NO5P/c1-11(
    8,9)10-2-3(5)4(6)7/h3H,2,
    5H2,1H3,(H,6,7)(H,8,9)/t3
    -/m0/s1;
    GQKAGYTWOXMURY-VKHMYHEASA-N    		 C[P](O)(=O)OC[CH](N)C(O)=O; C[P](O)(=O)O
    C[C@H](N)C(O)=O; C[P@](=O)(O)OC[C@@H](C(
    =O)O)N; O=P(OCC(C(=O)O)N)(O)C; CP(=O)(O)
    OCC(C(=O)O)N    		 O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE
    36665 SBH
    CHEMBL185586
    DB02480    		 4 C5 H13 Br O8 P2 InChI=1S/C5H13BrO8P2/c1-5
    (7,4-6)2-3-13-16(11,12)14
    -15(8,9)10/h7H,2-4H2,1H3,
    (H,11,12)(H2,8,9,10)/t5-/
    m0/s1;
    YKAYCWPQDPILSA-YFKPBYRVSA-N    		 C[C@@](O)(CBr)CCO[P@](O)(=O)O[P](O)(O)=O
    ; C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O
    ; O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O; CC(CC
    OP(=O)(O)OP(=O)(O)O)(CBr)O; C[C](O)(CBr)
    CCO[P](O)(=O)O[P](O)(O)=O    		 (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE
    36666 SBI
    CHEMBL266497
    DB02712
    ZINC000000002070    		 3 C11 H9 F N2 O3 InChI=1S/C11H9FN2O3/c12-6
    -1-2-8-7(5-6)11(3-4-17-8)
    9(15)13-10(16)14-11/h1-2,
    5H,3-4H2,(H2,13,14,15,16)
    /t11-/m0/s1;
    LXANPKRCLVQAOG-NSHDSACASA-N    		 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1; Fc1ccc
    2OCC[C]3(NC(=O)NC3=O)c2c1; c1cc2c(cc1F)C
    3(CCO2)C(=O)NC(=O)N3; c1cc2c(cc1F)[C@@]3
    (CCO2)C(=O)NC(=O)N3; Fc3ccc2OCCC1(C(=O)N
    C(=O)N1)c2c3    		 SORBINIL
    36667 SBJ 0 C31 H62 N O8 P InChI=1S/C31H62NO8P/c1-3-
    5-7-9-10-11-12-13-14-15-1
    6-17-18-20-22-24-31(34)40
    -29(28-39-41(35,36)38-26-
    25-32)27-37-30(33)23-21-1
    9-8-6-4-2/h29H,3-28,32H2,
    1-2H3,(H,35,36)/t29-/m0/s
    1;
    UXEZQBUDEBPDGU-LJAQVGFWSA-N    		 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC
    CCCC)COP(=O)(O)OCCN; CCCCCCCCCCCCCCCCCC(
    =O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
    ; CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC
    C)COP(=O)(O)OCCN; CCCCCCCCCCCCCCCCCC(=O)
    O[C@@H](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN    		 [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate
    36668 SBK
    CHEMBL1865925
    ZINC000000900723    		 2 C7 H4 Cl3 N O3 InChI=1S/C7H4Cl3NO3/c8-3-
    1-4(9)7(11-6(3)10)14-2-5(
    12)13/h1H,2H2,(H,12,13);
    REEQLXCGVXDJSQ-UHFFFAOYSA-N    		 c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl; OC(=O)COc1
    nc(Cl)c(Cl)cc1Cl    		 Triclopyr
    36669 SBL
    DB03290
    ZINC000195788553    		 0 C17 H22 B N2 O6 InChI=1S/C17H22BN2O6/c1-1
    1(21)20-16(18(24,25)26-10
    -15(19)17(22)23)9-13-7-4-
    6-12-5-2-3-8-14(12)13/h2-
    8,15-16,24-25H,9-10,19H2,
    1H3,(H,20,21)(H,22,23)/q-
    1/t15-,16-/m0/s1;
    KJSNEFAXFLDDDR-HOTGVXAUSA-N    		 [B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O
    )OC[C@@H](C(=O)O)N; [B-](C(Cc1cccc2c1ccc
    c2)NC(=O)C)(O)(O)OCC(C(=O)O)N; CC(=O)N[C
    @@H](Cc1cccc2ccccc12)[B-](O)(O)OC[C@H](N
    )C(O)=O; CC(=O)N[CH](Cc1cccc2ccccc12)[B-
    ](O)(O)OC[CH](N)C(O)=O; O=C(O)C(N)CO[B-]
    (O)(O)C(NC(=O)C)Cc2cccc1ccccc12    		 L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
    36670 SBM 4 C30 H61 N O8 P InChI=1S/C30H60NO8P/c1-6-
    8-10-12-14-15-17-18-20-22
    -29(32)36-26-28(27-38-40(
    34,35)37-25-24-31(3,4)5)3
    9-30(33)23-21-19-16-13-11
    -9-7-2/h28H,6-27H2,1-5H3/
    p+1/t28-/m0/s1;
    YCHNJZJVKCSKTN-NDEPHWFRSA-O    		 CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)
    (C)C)OC(=O)CCCCCCCCC; CCCCCCCCCCCC(=O)OC
    [C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC
    CCCCCCC; CCCCCCCCCCCC(=O)OC[CH](CO[P](O)
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC; CCCC
    CCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCC    		 2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
    36671 SBN
    CHEMBL299001
    DB08528
    ZINC000000006471    		 1 C15 H14 N2 O2 S InChI=1S/C15H14N2O2S/c1-1
    0-6-11(2)8-12(7-10)20(18,
    19)15-5-3-4-14(17)13(15)9
    -16/h3-8H,17H2,1-2H3;
    SWGDXLAZBZDUBR-UHFFFAOYSA-N    		 Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C; C
    c1cc(C)cc(c1)[S](=O)(=O)c2cccc(N)c2C#N;
    N#Cc1c(cccc1N)S(=O)(=O)c2cc(cc(c2)C)C    		 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE
    36672 SBO
    DB02453    		 5 H3 O3 Sb InChI=1S/3H2O.Sb/h3*1H2;/
    q;;;+3/p-3;
    SZOADBKOANDULT-UHFFFAOYSA-K    		 O[Sb](O)O TRIHYDROXYANTIMONITE(III)
    36673 SBP
    DB03129    		 1 C6 H15 B N3 O3 InChI=1S/C6H14BN3O3/c8-6(
    9)10-2-1-3-11-7-12-4-5-13
    -7/h1-5H2,(H4,8,9,10)/p+1;
    QHANCKHXGBJANE-UHFFFAOYSA-O    		 B1(OCCO1)OCCCNC(=[NH2+])N; NC(=[NH2+])NC
    CCOB1OCCO1; O(B1OCCO1)CCCNC(=[NH2+])\N    		 [3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
    36674 SBQ
    CHEMBL2058195
    ZINC000084713930    		 8 C20 H21 Cl O8 InChI=1S/C20H21ClO8/c1-27
    -19(26)12-4-2-3-10(7-12)1
    1-5-6-14(13(21)8-11)28-20
    -18(25)17(24)16(23)15(9-2
    2)29-20/h2-8,15-18,20,22-
    25H,9H2,1H3/t15-,16-,17+,
    18+,20+/m1/s1;
    PDLRSZVVAYSCAH-JGLNRKDHSA-N    		 COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[
    C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O; COC
    (=O)c1cccc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@
    @H](O)[C@H](O)[C@@H]3O)c(Cl)c2; COC(=O)c
    1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH
    ](O)[CH]3O)c(Cl)c2; COC(=O)c1cccc(c1)c2c
    cc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O    		 methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
    36675 SBR
    DB02479
    ZINC000002547583    		 3 C19 H21 N3 O3 S InChI=1S/C19H21N3O3S/c1-1
    4(13-22-11-10-15-4-2-3-5-
    18(15)22)12-21-19(23)16-6
    -8-17(9-7-16)26(20,24)25/
    h2-11,14H,12-13H2,1H3,(H,
    21,23)(H2,20,24,25)/t14-/
    m1/s1;
    ZFWHOUCRVSOZJE-CQSZACIVSA-N    		 CC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2
    cccc3; C[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)
    =O)Cn2ccc3ccccc23; C[C@H](CNC(=O)c1ccc(c
    c1)[S](N)(=O)=O)Cn2ccc3ccccc23; O=S(=O)(
    N)c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3; C
    [C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc
    3c2cccc3    		 (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
    36676 SBS
    DB03950
    ZINC000003581175    		 1 C19 H21 N3 O3 S InChI=1S/C19H21N3O3S/c1-1
    4(13-22-11-10-15-4-2-3-5-
    18(15)22)12-21-19(23)16-6
    -8-17(9-7-16)26(20,24)25/
    h2-11,14H,12-13H2,1H3,(H,
    21,23)(H2,20,24,25)/t14-/
    m0/s1;
    ZFWHOUCRVSOZJE-AWEZNQCLSA-N    		 C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2c
    cc3c2cccc3; CC(CNC(=O)c1ccc(cc1)S(=O)(=O
    )N)Cn2ccc3c2cccc3; C[CH](CNC(=O)c1ccc(cc
    1)[S](N)(=O)=O)Cn2ccc3ccccc23; O=S(=O)(N
    )c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3; C[
    C@@H](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2c
    cc3ccccc23    		 (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
    36677 SBT
    ZINC000001850884    		 6 C4 H10 O InChI=1S/C4H10O/c1-3-4(2)
    5/h4-5H,3H2,1-2H3/t4-/m0/
    s1;
    BTANRVKWQNVYAZ-BYPYZUCNSA-N    		 CCC(C)O; CC[C@H](C)O; CC[CH](C)O; OC(C)C
    C    		 2-BUTANOL
    36678 SBU 0 C4 H10 InChI=1/C4H10/c1-3-4-2/h3
    -4H2,1-2H3;
    IJDNQMDRQITEOD-UHFFFAOYAE    		 CCCC SEC-BUTYL GROUP
    36679 SBV 1 C27 H49 N6 O12 P InChI=1S/C27H49N6O12P/c1-
    12-19(34)15(13(7-33-12)10
    -42-46(38,39)40)9-32-8-14
    -4-5-16(28)25(43-14)44-22
    -17(29)6-18(30)23(20(22)3
    5)45-26-21(36)24(31-3)27(
    2,37)11-41-26/h7,14,16-18
    ,20-26,31-32,34-37H,4-6,8
    -11,28-30H2,1-3H3,(H2,38,
    39,40)/t14-,16-,17+,18-,2
    0+,21-,22-,23+,24-,25-,26
    -,27+/m1/s1;
    RIDGEVUBNCTQEZ-LVJYRULHSA-N    		 CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@
    H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H]
    (CC[C@H]3N)CNCc4c(O)c(C)ncc4CO[P](O)(O)=
    O)[C@@H]2O; c4(CNCC3CCC(C(OC1C(CC(N)C(C1
    O)OC2C(O)C(NC)C(CO2)(C)O)N)O3)N)c(COP(O)
    (O)=O)cnc(c4O)C; Cc1c(c(c(cn1)COP(=O)(O)
    O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H
    ](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([
    C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O; CN[CH]
    1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[C
    H](N)[CH](O[CH]3O[CH](CC[CH]3N)CNCc4c(O)
    c(C)ncc4CO[P](O)(O)=O)[CH]2O; Cc1c(c(c(c
    n1)COP(=O)(O)O)CNCC2CCC(C(O2)OC3C(CC(C(C
    3O)OC4C(C(C(CO4)(C)O)NC)O)N)N)N)O    		 (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside;
    PLP-sisomicin
    36680 SBW 3 C14 H14 N2 O4 S InChI=1S/C14H14N2O4S/c15-
    21(19,20)13-6-4-11(5-7-13
    )14(18)16-9-10-2-1-3-12(1
    7)8-10/h1-8,17H,9H2,(H,16
    ,18)(H2,15,19,20);
    JHOGRPZBQMWATN-UHFFFAOYSA-N    		 O=S(=O)(N)c2ccc(C(=O)NCc1cccc(O)c1)cc2;
    N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(O)c2
    ; c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O
    )N    		 N-(3-hydroxybenzyl)-4-sulfamoylbenzamide
    36681 SBX
    CHEMBL321038    		 1 C28 H41 N O4 InChI=1S/C28H41NO4/c1-4-2
    8(2,3)25(30)26(31)29-20-1
    2-11-17-23(29)27(32)33-24
    (22-15-9-6-10-16-22)19-18
    -21-13-7-5-8-14-21/h5,7-8
    ,13-14,22-24H,4,6,9-12,15
    -20H2,1-3H3/t23-,24?/m0/s
    1;
    PANCOFAQARSQHI-UXMRNZNESA-N    		 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc2c
    cccc2)C3CCCCC3; CCC(C)(C)C(=O)C(=O)N1CCC
    C[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3; CCC(
    C)(C)C(=O)C(=O)N1CCCC[CH]1C(=O)O[CH](CCc
    2ccccc2)C3CCCCC3; CCC(C)(C)C(=O)C(=O)N1C
    CCC[C@H]1C(=O)O[C@H](CCc2ccccc2)C3CCCCC3
    ; O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(CCc1ccc
    cc1)C2CCCCC2)CCCC3    		 1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
    36682 SBY
    CHEMBL1235854    		 6 C17 H37 N O3 S InChI=1S/C17H37NO3S/c1-4-
    5-6-7-8-9-10-11-12-13-15-
    18(2,3)16-14-17-22(19,20)
    21/h4-17H2,1-3H3;
    IZWSFJTYBVKZNK-UHFFFAOYSA-N    		 CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O
    ; [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCCCC)C
    ; CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]    		 3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
    36683 SBZ
    DB04109    		 1 C10 H14 B N2 O3 InChI=1S/C10H13BN2O3/c12-
    10(13)9-3-1-8(2-4-9)7-16-
    11-14-5-6-15-11/h1-4H,5-7
    H2,(H3,12,13)/p+1;
    XCLFQXCQQHVLJQ-UHFFFAOYSA-O    		 O(B1OCCO1)Cc2ccc(C(=[NH2+])\N)cc2; NC(=[
    NH2+])c1ccc(COB2OCCO2)cc1; B1(OCCO1)OCc2
    ccc(cc2)C(=[NH2+])N    		 [4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
    36684 SC 0 C9 H14 N3 O6 P S InChI=1S/C9H14N3O6PS/c10-
    7-1-2-12(9(14)11-7)8-3-5(
    13)6(18-8)4-17-19(15,16)2
    0/h1-2,5-6,8,13H,3-4H2,(H
    2,10,11,14)(H2,15,16,20)/
    t5-,6+,8+/m0/s1;
    FHBXKBNKQMSUIJ-SHYZEUOFSA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C
    O[P](O)(O)=S)O2; O=C1N=C(N)C=CN1C2OC(C(O
    )C2)COP(=S)(O)O; NC1=NC(=O)N(C=C1)[CH]2C
    [CH](O)[CH](CO[P](O)(O)=S)O2; C1C(C(OC1N
    2C=CC(=NC2=O)N)COP(=S)(O)O)O; C1[C@@H]([
    C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)
    O    		 2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
    36685 SC0
    CHEMBL494708
    DB08529
    ZINC000040955640    		 2 C17 H34 O6 P2 InChI=1S/C17H34O6P2/c1-3-
    5-7-9-11-13-15-17(24(18,1
    9)20,25(21,22)23)16-14-12
    -10-8-6-4-2/h11-14H,3-10,
    15-16H2,1-2H3,(H2,18,19,2
    0)(H2,21,22,23)/b13-11+,1
    4-12+;
    PFKBXXKNHWTTCS-PHEQNACWSA-N    		 CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O
    )(O)O; O=P(O)(O)C(C/C=C/CCCCC)(C/C=C/CCC
    CC)P(=O)(O)O; CCCCCC=CCC(CC=CCCCCC)([P](
    O)(O)=O)[P](O)(O)=O; CCCCCC=CCC(CC=CCCCC
    C)(P(=O)(O)O)P(=O)(O)O; CCCCC\C=C\CC(C\C
    =C\CCCCC)([P](O)(O)=O)[P](O)(O)=O    		 (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
    36686 SC1
    CHEMBL1159978
    ZINC000026725016    		 1 C10 H16 O13 P2 InChI=1S/C10H16O13P2/c1-1
    0(9(14)15,24(16,17)18)22-
    5-2-4(8(12)13)3-6(7(5)11)
    23-25(19,20)21/h3,5-7,11H
    ,2H2,1H3,(H,12,13)(H,14,1
    5)(H2,16,17,18)(H2,19,20,
    21)/t5-,6-,7+,10+/m1/s1;
    HUOJJMMXOWLGJU-JQCUSGDOSA-N    		 CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O
    )O)P(=O)(O)O; C[C](O[CH]1CC(=C[CH](O[P](
    O)(O)=O)[CH]1O)C(O)=O)(C(O)=O)[P](O)(O)=
    O; O=C(O)C(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O
    )O)(P(=O)(O)O)C; C[C@](C(=O)O)(O[C@@H]1C
    C(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O
    )(O)O; C[C@@](O[C@@H]1CC(=C[C@@H](O[P](O
    )(O)=O)[C@H]1O)C(O)=O)(C(O)=O)[P](O)(O)=
    O    		 [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
    36687 SC2
    CHEMBL600
    DB06151
    ZINC000003589203    		 17 C5 H9 N O3 S InChI=1S/C5H9NO3S/c1-3(7)
    6-4(2-10)5(8)9/h4,10H,2H2
    ,1H3,(H,6,7)(H,8,9)/t4-/m
    0/s1;
    PWKSKIMOESPYIA-BYPYZUCNSA-N    		 CC(=O)NC(CS)C(=O)O; O=C(NC(C(=O)O)CS)C;
    CC(=O)N[C@@H](CS)C(=O)O; CC(=O)N[C@@H](C
    S)C(O)=O; CC(=O)N[CH](CS)C(O)=O    		 N-ACETYL-L-CYSTEINE;
    (2R)-2-acetamido-3-sulfanyl-propanoic acid
    36688 SC3
    DB08530    		 9 C18 H23 N6 O2 InChI=1S/C18H22N6O2/c1-21
    -15-14(16(25)22(2)18(21)2
    6)24(12-13-6-4-3-5-7-13)1
    7(20-15)23-10-8-19-9-11-2
    3/h3-7,19H,8-12H2,1-2H3/p
    +1;
    QFSMMXJBEBXTJP-UHFFFAOYSA-O    		 CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(
    =O)N(C1=O)C; CN1C(=O)N(C)c2nc(N3CC[NH2+]
    CC3)n(Cc4ccccc4)c2C1=O; O=C2N(c1nc(n(c1C
    (=O)N2C)Cc3ccccc3)N4CC[NH2+]CC4)C    		 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
    36689 SC4
    CHEMBL1235858
    DB17736
    ZINC000001891911    		 3 C21 H17 Cl3 O3 InChI=1S/C21H17Cl3O3/c1-2
    5-16-9-10-20(19(24)11-16)
    26-12-14-5-7-15(8-6-14)13
    -27-21-17(22)3-2-4-18(21)
    23/h2-11H,12-13H2,1H3;
    XXMDDBVNWRWNCW-UHFFFAOYSA-N    		 COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3C
    l)Cl; Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(
    OC)cc2Cl; COc1ccc(OCc2ccc(COc3c(Cl)cccc3
    Cl)cc2)c(Cl)c1    		 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE
    36690 SC5
    DB04778
    ZINC000019331258    		 2 C18 H26 N4 O2 InChI=1S/C18H26N4O2/c1-13
    (15-5-3-2-4-6-15)21-18(20
    -12-17(23)24)22-16-9-7-14
    (11-19)8-10-16/h2-10,13,1
    7-18,20-24H,11-12,19H2,1H
    3/t13-,18-/m1/s1;
    LPSXGZAUAOMRNU-FZKQIMNGSA-N    		 CC(c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN; OC
    (O)CNC(Nc1ccc(cc1)CN)NC(c2ccccc2)C; C[C@
    @H](N[C@@H](NCC(O)O)Nc1ccc(CN)cc1)c2cccc
    c2; C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc
    2)CN; C[CH](N[CH](NCC(O)O)Nc1ccc(CN)cc1)
    c2ccccc2    		 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL;
    SC45647
    36691 SC6
    CHEMBL403195
    ZINC000014209296    		 2 C34 H39 F2 N3 O5 InChI=1S/C34H39F2N3O5/c1-
    21-11-23(16-24(12-21)34(4
    2)39-10-6-7-27(39)20-43-2
    )33(41)38-31(15-22-13-25(
    35)17-26(36)14-22)32(40)3
    0-18-29(19-37-30)44-28-8-
    4-3-5-9-28/h3-5,8-9,11-14
    ,16-17,27,29-32,37,40H,6-
    7,10,15,18-20H2,1-2H3,(H,
    38,41)/t27-,29-,30-,31+,3
    2-/m1/s1;
    KYHYNSQLYDXSNK-MXWGZHRFSA-N    		 COC[CH]1CCCN1C(=O)c2cc(C)cc(c2)C(=O)N[CH
    ](Cc3cc(F)cc(F)c3)[CH](O)[CH]4C[CH](CN4)
    Oc5ccccc5; COC[C@H]1CCCN1C(=O)c2cc(C)cc(
    c2)C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)
    [C@H]4C[C@H](CN4)Oc5ccccc5; O=C(N1CCCC1C
    OC)c2cc(cc(c2)C)C(=O)NC(Cc3cc(F)cc(F)c3)
    C(O)C5NCC(Oc4ccccc4)C5; Cc1cc(cc(c1)C(=O
    )N2CCCC2COC)C(=O)NC(Cc3cc(cc(c3)F)F)C(C4
    CC(CN4)Oc5ccccc5)O; Cc1cc(cc(c1)C(=O)N2C
    CC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)
    F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O    		 N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
    36692 SC7
    CHEMBL257278
    ZINC000016052468    		 2 C31 H43 F2 N3 O4 InChI=1S/C31H43F2N3O4/c1-
    5-10-36(11-6-2)31(39)23-1
    3-20(4)12-22(17-23)30(38)
    35-28(16-21-14-24(32)18-2
    5(33)15-21)29(37)27-19-26
    (40-7-3)8-9-34-27/h12-15,
    17-18,26-29,34,37H,5-11,1
    6,19H2,1-4H3,(H,35,38)/t2
    6-,27+,28-,29+/m0/s1;
    JWYOKBPWLVCFKU-ICYKMPLBSA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc
    2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)O
    CC)O)C; O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)
    NC(Cc2cc(F)cc(F)c2)C(O)C3NCCC(OCC)C3; CC
    CN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2c
    c(F)cc(F)c2)[CH](O)[CH]3C[CH](CCN3)OCC;
    CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CC(CCN3)OCC)O)C; CCCN(CCC)C
    (=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc2cc(F)cc
    (F)c2)[C@H](O)[C@H]3C[C@H](CCN3)OCC    		 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
    36693 SC8
    CHEMBL403350
    DB08531
    ZINC000028957172    		 1 C18 H13 Cl2 N5 InChI=1S/C18H13Cl2N5/c19-
    14-3-1-2-13(18(14)20)15-1
    0-17(25-16(24-15)6-9-23-2
    5)22-11-12-4-7-21-8-5-12/
    h1-10,22H,11H2;
    CVYWYUAQFJMLEO-UHFFFAOYSA-N    		 Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2;
    c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4
    ccncc4; Clc4cccc(c2nc1ccnn1c(c2)NCc3ccnc
    c3)c4Cl    		 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    36694 SC9
    DB08532
    ZINC000033295983    		 1 C18 H14 F N5 InChI=1S/C18H14FN5/c19-15
    -6-2-1-5-14(15)16-12-24-9
    -8-21-18(24)17(23-16)22-1
    1-13-4-3-7-20-10-13/h1-10
    ,12H,11H2,(H,22,23);
    WCNPGRRMPFCHEO-UHFFFAOYSA-N    		 c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F;
    Fc1ccccc1c2cn3ccnc3c(NCc4cccnc4)n2; Fc4c
    cccc4c1nc(c2nccn2c1)NCc3cccnc3    		 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
    36695 SCA
    DB03699
    ZINC000008551116    		 62 C25 H40 N7 O19 P3 S InChI=1S/C25H40N7O19P3S/c
    1-25(2,20(38)23(39)28-6-5
    -14(33)27-7-8-55-16(36)4-
    3-15(34)35)10-48-54(45,46
    )51-53(43,44)47-9-13-19(5
    0-52(40,41)42)18(37)24(49
    -13)32-12-31-17-21(26)29-
    11-30-22(17)32/h11-13,18-
    20,24,37-38H,3-10H2,1-2H3
    ,(H,27,33)(H,28,39)(H,34,
    35)(H,43,44)(H,45,46)(H2,
    26,29,30)(H2,40,41,42)/t1
    3-,18-,19-,20+,24-/m1/s1;
    VNOYUJKHFWYWIR-ITIYDSSPSA-N    		 O=C(O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C
    )COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3OP(=O)(O)O; CC(C)(COP(=O)(O)OP
    (=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O
    )O; CC(C)(CO[P@](O)(=O)O[P@@](O)(=O)OC[C
    @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NC
    CSC(=O)CCC(O)=O; CC(C)(CO[P](O)(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O
    )=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O
    )NCCSC(=O)CCC(O)=O; CC(C)(CO[P@@](=O)(O)
    O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=
    O)NCCC(=O)NCCSC(=O)CCC(=O)O)O    		 SUCCINYL-COENZYME A
    36696 SCB
    ZINC000008400586    		 2 C24 H19 Cl N2 O5 S InChI=1S/C24H19ClN2O5S/c1
    -31-12-11-27-22(28)21(33-
    24(27)26-16-5-3-2-4-6-16)
    14-17-8-10-20(32-17)15-7-
    9-19(25)18(13-15)23(29)30
    /h2-10,13-14H,11-12H2,1H3
    ,(H,29,30)/b21-14+,26-24-;
    BLYOIVXXTIAFFL-QPVYCHHJSA-N    		 COCCN1C(=O)C(SC1=Nc2ccccc2)=Cc3oc(cc3)c4
    ccc(Cl)c(c4)C(O)=O; COCCN1C(=O)\C(SC1=Nc
    2ccccc2)=C/c3oc(cc3)c4ccc(Cl)c(c4)C(O)=O
    ; COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=
    O)O)Cl)SC1=Nc4ccccc4; Clc1ccc(cc1C(=O)O)
    c2oc(cc2)/C=C4/S/C(=N\c3ccccc3)N(C4=O)CC
    OC    		 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID
    36697 SCC 0 C2 H6 S InChI=1S/C2H6S/c1-2-3/h3H
    ,2H2,1H3;
    DNJIEGIFACGWOD-UHFFFAOYSA-N    		 SCC; CCS THIOETHYL GROUP
    36698 SCD
    ZINC000195757936    		 2 C26 H42 N7 O19 P3 InChI=1S/C26H42N7O19P3/c1
    -26(2,21(39)24(40)29-9-7-
    16(35)28-8-3-4-14(34)5-6-
    17(36)37)11-49-55(46,47)5
    2-54(44,45)48-10-15-20(51
    -53(41,42)43)19(38)25(50-
    15)33-13-32-18-22(27)30-1
    2-31-23(18)33/h12-13,15,1
    9-21,25,38-39H,3-11H2,1-2
    H3,(H,28,35)(H,29,40)(H,3
    6,37)(H,44,45)(H,46,47)(H
    2,27,30,31)(H2,41,42,43)/
    t15-,19-,20-,21+,25-/m1/s
    1;
    WPCFLGXXWJIJOV-ZMHDXICWSA-N    		 CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O
    )OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)
    CCC(=O)O)O; CC(C)(CO[P](O)(=O)O[P](O)(=O
    )OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCC
    C(=O)CCC(O)=O; CC(C)(CO[P@](O)(=O)O[P@](
    O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]
    (O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)
    NCCC(=O)NCCCC(=O)CCC(O)=O; CC(C)(COP(=O)
    (O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCC(=O)CCC
    (=O)O)O; O=C(O)CCC(=O)CCCNC(=O)CCNC(=O)C
    (O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cn
    c1c(ncnc12)N)C(O)C3OP(=O)(O)O    		 SUCCINYL(CARBADETHIA)-COENZYME A
    36699 SCE
    DB08533
    ZINC000003820150    		 1 C13 H13 N5 InChI=1S/C13H13N5/c1-10-8
    -17-13-12(15-6-7-18(10)13
    )16-9-11-2-4-14-5-3-11/h2
    -8H,9H2,1H3,(H,15,16);
    LXRVAGIYXNQOKP-UHFFFAOYSA-N    		 n1cc(n2ccnc(c12)NCc3ccncc3)C; Cc1cnc2n1c
    cnc2NCc3ccncc3    		 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
    36700 SCF
    DB08534    		 1 C18 H14 F N5 InChI=1S/C18H14FN5/c19-15
    -4-2-1-3-14(15)16-11-18(2
    4-17(23-16)7-10-22-24)21-
    12-13-5-8-20-9-6-13/h1-11
    ,21H,12H2;
    ZAIYYXVHGBMLEC-UHFFFAOYSA-N    		 Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3; Fc1c
    cccc1c2cc(NCc3ccncc3)n4nccc4n2; c1ccc(c(
    c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F    		 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    36701 SCG
    CHEMBL1235867
    ZINC000004095728    		 4 C17 H24 O10 InChI=1S/C17H24O10/c1-3-8
    -9(4-5-18)10(15(23)24-2)7
    -25-16(8)27-17-14(22)13(2
    1)12(20)11(6-19)26-17/h3,
    5,7-9,11-14,16-17,19-22H,
    1,4,6H2,2H3/t8-,9+,11-,12
    -,13+,14-,16+,17+/m1/s1;
    CSKKDSFETGLMSB-NRZPKYKESA-N    		 COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[
    CH](O)[CH]2O)[CH](C=C)[CH]1CC=O; COC(=O)
    C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O
    )O; COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO
    )[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@
    H]1CC=O; O=CCC2C(C(=O)OC)=COC(OC1OC(C(O)
    C(O)C1O)CO)C2\C=C; COC(=O)C1=CO[C@H]([C@
    @H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O    		 Secologanin;
    METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
    36702 SCH
    DB02361    		 0 C4 H9 N O2 S2 InChI=1S/C4H9NO2S2/c1-8-9
    -2-3(5)4(6)7/h3H,2,5H2,1H
    3,(H,6,7)/t3-/m0/s1;
    PYFNLWPQPNXHCS-VKHMYHEASA-N    		 CSSC[C@@H](C(=O)O)N; CSSC[CH](N)C(O)=O;
    CSSC[C@H](N)C(O)=O; CSSCC(C(=O)O)N; O=C(
    O)C(N)CSSC    		 S-METHYL-THIO-CYSTEINE
    36703 SCI
    CHEMBL93247
    DB03953
    ZINC000003873047    		 2 C6 H13 N3 O2 S InChI=1S/C6H13N3O2S/c7-4(
    5(10)11)2-1-3-9-6(8)12/h4
    H,1-3,7H2,(H,10,11)(H3,8,
    9,12)/t4-/m0/s1;
    BKGWACHYAMTLAF-BYPYZUCNSA-N    		 N[CH](CCCN=C(N)S)C(O)=O; C(CC(C(=O)O)N)C
    N=C(N)S; C(C[C@@H](C(=O)O)N)C/N=C(/N)\S;
    O=C(O)C(N)CCC/N=C(\S)N; N[C@@H](CCCN=C(
    N)S)C(O)=O    		 L-THIOCITRULLINE
    36704 SCJ
    CHEMBL249530
    DB08535
    ZINC000028958699    		 1 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    5-12-22-24-17(21-11-13-5-
    4-8-20-10-13)9-16(23-18(1
    5)24)14-6-2-1-3-7-14/h1-1
    0,12,21H,11H2;
    SMIZFGZXFDGISG-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc
    4; Brc1cnn2c(cc(nc12)c3ccccc3)NCc4cccnc4
    ; Brc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4    		 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    36705 SCK
    CHEMBL703
    DB00202
    ZINC000001530820    		 10 C14 H30 N2 O4 InChI=1S/C14H30N2O4/c1-15
    (2,3)9-11-19-13(17)7-8-14
    (18)20-12-10-16(4,5)6/h7-
    12H2,1-6H3/q+2;
    AXOIZCJOOAYSMI-UHFFFAOYSA-N    		 O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
    ; C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C
    )C    		 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM);
    SUCCINYLDICHOLINE
    36706 SCL
    DB03667
    ZINC000002046853    		 1 C9 H9 N O4 InChI=1S/C9H9NO4/c1-6(11)
    14-10-9(13)7-4-2-3-5-8(7)
    12/h2-5,12H,1H3,(H,10,13);
    PCFWLDHLJWUGSU-UHFFFAOYSA-N    		 CC(=O)ONC(=O)c1ccccc1O; O=C(c1ccccc1O)NO
    C(=O)C    		 ACETIC ACID SALICYLOYL-AMINO-ESTER
    36707 SCM
    CHEMBL1167
    DB00919
    ZINC000053006806    		 8 C14 H24 N2 O7 InChI=1S/C14H24N2O7/c1-5-
    4-6(17)14(20)13(21-5)22-1
    2-10(19)7(15-2)9(18)8(16-
    3)11(12)23-14/h5,7-13,15-
    16,18-20H,4H2,1-3H3/t5-,7
    -,8+,9+,10+,11-,12-,13+,1
    4+/m1/s1;
    UNFWWIHTNXNPBV-WXKVUWSESA-N    		 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O
    )[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O;
    CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC
    )O)O; C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@
    @H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)
    NC)O)NC)O)O; CN[CH]1[CH](O)[CH](NC)[CH]2
    O[C]3(O)[CH](O[CH](C)CC3=O)O[CH]2[CH]1O;
    O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)
    C)O    		 SPECTINOMYCIN;
    ACTINOSPECTACIN;
    ESPECTINOMICINA;
    CHX-3101
    36708 SCN 54 C N S InChI=1S/CHNS/c2-1-3/h3H/
    p-1;
    ZMZDMBWJUHKJPS-UHFFFAOYSA-M    		 C(#N)[S-]; [S-]C#N THIOCYANATE ION
    36709 SCO
    DB03905
    ZINC000195757410    		 1 C25 H41 N8 O19 P3 InChI=1S/C25H41N8O19P3/c1
    -25(2,20(39)23(40)29-6-5-
    15(35)28-8-7-27-14(34)3-4
    -16(36)37)10-49-55(46,47)
    52-54(44,45)48-9-13-19(51
    -53(41,42)43)18(38)24(50-
    13)33-12-32-17-21(26)30-1
    1-31-22(17)33/h11-13,18-2
    0,24,38-39H,3-10H2,1-2H3,
    (H,27,34)(H,28,35)(H,29,4
    0)(H,36,37)(H,44,45)(H,46
    ,47)(H2,26,30,31)(H2,41,4
    2,43)/t13-,18-,19-,20+,24
    -/m1/s1;
    WZEXTLJNSXEEHK-ITIYDSSPSA-N    		 CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)C
    CC(=O)O)O; O=C(O)CCC(=O)NCCNC(=O)CCNC(=O
    )C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2
    cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O; CC(C)(C
    OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n
    cnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(
    =O)CCC(=O)O)O; CC(C)(CO[P@](O)(=O)O[P@@]
    (O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P
    ](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O
    )NCCC(=O)NCCNC(=O)CCC(O)=O; CC(C)(CO[P](
    O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C
    (=O)NCCC(=O)NCCNC(=O)CCC(O)=O    		 SUCCINAMIDE-COA
    36710 SCP 0 C11 H16 N3 O7 P InChI=1/C11H16N3O7P/c1-6-
    10(15)8(3-13-9-5-20-14-11
    (9)16)7(2-12-6)4-21-22(17
    ,18)19/h2,9,13,15H,3-5H2,
    1H3,(H,14,16)(H2,17,18,19
    )/t9-/m1/s1/f/h14,17-18H;
    NNRZSZJOQKAGTO-LUCJAKDJDF    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O;
    Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H]2CONC2=O)
    c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2CONC2
    =O)c1O; O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)
    (O)O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE;
    PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE
    36711 SCQ
    DB08536
    ZINC000024930139    		 1 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    6-11-23-24-17(16)6-15(14-
    4-2-1-3-5-14)7-18(24)22-1
    0-13-8-20-12-21-9-13/h1-9
    ,11-12,22H,10H2;
    IBUPHWYGVDAASU-UHFFFAOYSA-N    		 Brc1cnn2c1cc(cc2NCc3cncnc3)c4ccccc4; c1c
    cc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br; Br
    c1cnn2c(NCc3cncnc3)cc(cc12)c4ccccc4    		 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
    36712 SCR 0 C12 H22 O35 S8 InChI=1S/C12H22O35S8/c13-
    48(14,15)37-1-4-6(43-51(2
    2,23)24)8(45-53(28,29)30)
    9(46-54(31,32)33)11(40-4)
    42-12(3-39-50(19,20)21)10
    (47-55(34,35)36)7(44-52(2
    5,26)27)5(41-12)2-38-49(1
    6,17)18/h4-11H,1-3H2,(H,1
    3,14,15)(H,16,17,18)(H,19
    ,20,21)(H,22,23,24)(H,25,
    26,27)(H,28,29,30)(H,31,3
    2,33)(H,34,35,36)/t4-,5-,
    6-,7-,8+,9-,10+,11-,12+/m
    1/s1;
    WEPNHBQBLCNOBB-UGDNZRGBSA-N    		 C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O
    )OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS
    (=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)
    (=O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H]
    (O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)
    (=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O
    )O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
    S(=O)(=O)O; O=S(=O)(O)OC1C(OC(COS(=O)(=O
    )O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(
    OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)C
    OS(=O)(=O)O; O[S](=O)(=O)OC[C@H]1O[C@H](
    O[C@]2(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O
    )=O)[C@@H](O[S](O)(=O)=O)[C@@H]2O[S](O)(
    =O)=O)[C@H](O[S](O)(=O)=O)[C@@H](O[S](O)
    (=O)=O)[C@@H]1O[S](O)(=O)=O; O[S](=O)(=O
    )OC[CH]1O[CH](O[C]2(CO[S](O)(=O)=O)O[CH]
    (CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2
    O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[
    S](O)(=O)=O)[CH]1O[S](O)(=O)=O    		 SUCROSE OCTASULFATE
    36713 SCS 0 C5 H11 N O2 S2 InChI=1S/C5H11NO2S2/c1-2-
    9-10-3-4(6)5(7)8/h4H,2-3,
    6H2,1H3,(H,7,8)/t4-/m0/s1;
    YIMFYOCZTDBZJL-BYPYZUCNSA-N    		 CCSSCC(C(=O)O)N; CCSSC[C@@H](C(=O)O)N; C
    CSSC[C@H](N)C(O)=O; O=C(O)C(N)CSSCC; CCS
    SC[CH](N)C(O)=O    		 3-(ethyldisulfanyl)-L-alanine
    36714 SCT
    DB02921
    ZINC000003802232    		 2 C12 H16 N2 O4 InChI=1S/C12H16N2O4/c1-6-
    4-14(11(18)13-10(6)17)12-
    2-8(12)7(5-15)9(16)3-12/h
    4,7-9,15-16H,2-3,5H2,1H3,
    (H,13,17,18)/t7-,8-,9-,12
    -/m0/s1;
    XRMLXZVSFIBRRJ-PEFMBERDSA-N    		 CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C
    @H](C3)O)CO; CC1=CN(C(=O)NC1=O)[C@@]23C[
    C@H](O)[C@@H](CO)[C@@H]2C3; CC1=CN(C(=O)
    NC1=O)C23CC2C(C(C3)O)CO; O=C1C(=CN(C(=O)
    N1)C32C(C(CO)C(O)C2)C3)C; CC1=CN(C(=O)NC
    1=O)[C]23C[CH](O)[CH](CO)[CH]2C3    		 (SOUTH)-METHANOCARBA-THYMIDINE
    36715 SCU
    ZINC000038788902    		 2 C9 H18 N O3 InChI=1S/C9H18NO3/c1-10(2
    ,3)6-8-13-9(12)5-4-7-11/h
    7H,4-6,8H2,1-3H3/q+1;
    RIRQNBQBGSVENV-UHFFFAOYSA-N    		 O=CCCC(=O)OCC[N+](C)(C)C; C[N+](C)(C)CCO
    C(=O)CCC=O    		 N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM;
    SUCCINYLMONOCHOLINE
    36716 SCV
    ZINC000015574721    		 3 C14 H22 N2 O8 S InChI=1S/C14H22N2O8S/c1-6
    (2)10(12(20)21)24-13(22)9
    (14(23)25)16-8(17)5-3-4-7
    (15)11(18)19/h6-7,9-10H,3
    -5,15H2,1-2H3,(H,16,17)(H
    ,18,19)(H,20,21)(H,23,25)
    /t7-,9+,10+/m0/s1;
    INECXHJFYVKZHW-FXBDTBDDSA-N    		 O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)
    N)C(=O)S; CC(C)C(C(=O)O)OC(=O)C(C(=O)S)N
    C(=O)CCCC(C(=O)O)N; CC(C)[C@H](C(=O)O)OC
    (=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)
    N; CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@
    H](N)C(O)=O)C(S)=O)C(O)=O; CC(C)[CH](OC(
    =O)[CH](NC(=O)CCC[CH](N)C(O)=O)C(S)=O)C(
    O)=O    		 N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE;
    L-D-(A-AMINOADIPOYL)-L-(B-OXO)-CYSTEINE
    36717 SCW
    DB08537
    ZINC000003820146    		 1 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    7-10-23-18-16(22-9-13-7-2
    0-12-21-8-13)6-15(11-24(1
    7)18)14-4-2-1-3-5-14/h1-8
    ,10-12,22H,9H2;
    LZLKFNBMXXLTLX-UHFFFAOYSA-N    		 Brc1cnc2c(cc(cn12)c3ccccc3)NCc4cncnc4; B
    rc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4; c1cc
    c(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4    		 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
    36718 SCX
    DB08538
    ZINC000033295984    		 1 C19 H17 F2 N7 InChI=1S/C19H17F2N7/c1-2-
    12-10-26-28-16(23-7-11-8-
    24-19(22)25-9-11)6-15(27-
    18(12)28)17-13(20)4-3-5-1
    4(17)21/h3-6,8-10,23H,2,7
    H2,1H3,(H2,22,24,25);
    HQPVGVSQPQVZLD-UHFFFAOYSA-N    		 Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)
    N)CC; CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4
    c(F)cccc4F; CCc1cnn2c1nc(cc2NCc3cnc(nc3)
    N)c4c(cccc4F)F    		 N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
    36719 SCY
    DB02039    		 0 C5 H9 N O3 S InChI=1S/C5H9NO3S/c1-3(7)
    10-2-4(6)5(8)9/h4H,2,6H2,
    1H3,(H,8,9)/t4-/m0/s1;
    XCIRMLHOFVDUDP-BYPYZUCNSA-N    		 CC(=O)SC[C@H](N)C(O)=O; O=C(O)C(N)CSC(=O
    )C; CC(=O)SC[CH](N)C(O)=O; CC(=O)SCC(C(=
    O)O)N; CC(=O)SC[C@@H](C(=O)O)N    		 S-ACETYL-CYSTEINE
    36720 SCZ
    CHEMBL249736
    DB08539
    ZINC000028958727    		 1 C21 H19 N5 InChI=1S/C21H19N5/c1-2-6-
    17(7-3-1)19-11-20(23-13-1
    5-5-4-10-22-12-15)26-21(2
    5-19)18(14-24-26)16-8-9-1
    6/h1-7,10-12,14,16,23H,8-
    9,13H2;
    CCDIUVLNHCGSMH-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cc
    cnc5; C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5
    ccccc5; n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc
    4)c5ccccc5    		 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    36721 SD0 0 C13 H20 B N2 O6 InChI=1S/C13H20BN2O6/c15-
    11(12(18)19)5-9-1-3-10(4-
    2-9)14(20)21-7-13(16,6-17
    )8-22-14/h1-4,11,17,20H,5
    -8,15-16H2,(H,18,19)/q-1/
    t11-,13-,14+/m0/s1;
    ODSWUTOGRMJOFF-FPMFFAJLSA-N    		 [B-]1(OCC(CO1)(CO)N)(c2ccc(cc2)C[C@@H](C
    (=O)O)N)O; [B-]1(OCC(CO1)(CO)N)(c2ccc(cc
    2)CC(C(=O)O)N)O; N[CH](Cc1ccc(cc1)[B-]2(
    O)OCC(N)(CO)CO2)C(O)=O; N[C@@H](Cc1ccc(c
    c1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O    		 (S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide;
    (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal
    36722 SD1
    CHEMBL562990
    ZINC000036487671    		 1 C27 H31 N3 O5 InChI=1S/C27H31N3O5/c1-15
    -9-19-21(13-27(2,3)14-22(
    19)31)30(15)17-7-8-18(26(
    28)32)20(12-17)29-16-10-2
    3(33-4)25(35-6)24(11-16)3
    4-5/h7-12,29H,13-14H2,1-6
    H3,(H2,28,32);
    ONWOLFRMYZHLEQ-UHFFFAOYSA-N    		 Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)
    OC)C(=O)N)CC(CC2=O)(C)C; COc1cc(Nc2cc(cc
    c2C(N)=O)n3c(C)cc4C(=O)CC(C)(C)Cc34)cc(O
    C)c1OC; O=C(N)c2ccc(cc2Nc1cc(OC)c(OC)c(O
    C)c1)n4c(cc3C(=O)CC(Cc34)(C)C)C    		 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
    36723 SD2
    DB01883
    ZINC000033821516    		 2 C21 H30 N4 O5 S2 InChI=1S/C21H30N4O5S2/c1-
    32-10-8-15(19(22)28)24-20
    (29)17-3-2-9-25(17)21(30)
    16(23-18(27)12-31)11-13-4
    -6-14(26)7-5-13/h4-7,15-1
    7,26,31H,2-3,8-12H2,1H3,(
    H2,22,28)(H,23,27)(H,24,2
    9)/t15-,16-,17-/m0/s1;
    LNLWXWOYQHAKTD-ULQDDVLXSA-N    		 CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O
    )[C@H](Cc2ccc(cc2)O)NC(=O)CS; CSCCC(C(=O
    )N)NC(=O)C1CCCN1C(=O)C(Cc2ccc(cc2)O)NC(=
    O)CS; O=C(NC(C(=O)N)CCSC)C2N(C(=O)C(NC(=
    O)CS)Cc1ccc(O)cc1)CCC2; CSCC[CH](NC(=O)[
    CH]1CCCN1C(=O)[CH](Cc2ccc(O)cc2)NC(=O)CS
    )C(N)=O; CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=
    O)[C@H](Cc2ccc(O)cc2)NC(=O)CS)C(N)=O    		 N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE
    36724 SD3
    CHEMBL413963
    ZINC000002010556    		 0 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-2(4(
    8)9)1-3(7)6-10/h2,10H,1,5
    H2,(H,6,7)(H,8,9)/t2-/m1/
    s1;
    ZBYVTTSIVDYQSO-UWTATZPHSA-N    		 C([C@H](C(=O)O)N)C(=O)NO; N[CH](CC(=O)NO
    )C(O)=O; C(C(C(=O)O)N)C(=O)NO; N[C@H](CC
    (=O)NO)C(O)=O    		 N-hydroxy-D-asparagine
    36725 SD4
    CHEMBL63902
    ZINC000002545150    		 2 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-2(4(
    8)9)1-3(7)6-10/h2,10H,1,5
    H2,(H,6,7)(H,8,9)/t2-/m0/
    s1;
    ZBYVTTSIVDYQSO-REOHCLBHSA-N    		 N[CH](CC(=O)NO)C(O)=O; N[C@@H](CC(=O)NO)
    C(O)=O; C(C(C(=O)O)N)C(=O)NO; C([C@@H](C
    (=O)O)N)C(=O)NO    		 N-hydroxy-L-asparagine
    36726 SD5
    CHEMBL2017974
    DB11666
    ZINC000043154039    		 3 C18 H21 F3 N6 O2 InChI=1S/C18H21F3N6O2/c19
    -18(20,21)13-9-15(22)23-1
    1-12(13)14-10-16(26-1-5-2
    8-6-2-26)25-17(24-14)27-3
    -7-29-8-4-27/h9-11H,1-8H2
    ,(H2,22,23);
    CWHUFRVAEUJCEF-UHFFFAOYSA-N    		 c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4
    )C(F)(F)F; Nc1cc(c(cn1)c2cc(nc(n2)N3CCOC
    C3)N4CCOCC4)C(F)(F)F; FC(F)(F)c1cc(ncc1c
    3nc(nc(N2CCOCC2)c3)N4CCOCC4)N    		 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
    36727 SD6 1 C25 H44 N3 O8 S InChI=1S/C25H43N3O8S/c1-1
    5(2)10-20(28-25(32)36-14-
    19-12-18(19)11-16-6-4-3-5
    -7-16)23(30)27-21(24(31)3
    7(33,34)35)13-17-8-9-26-2
    2(17)29/h15-21,24,31H,3-1
    4H2,1-2H3,(H4-,26,27,28,2
    9,30,32,33,34,35)/p+1/t17
    -,18+,19-,20-,21-,24+/m0/
    s1;
    PBWNADCYPGWHEB-UEYTUVLBSA-O    		 CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)
    C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(
    O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1C[C@H]1
    CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[
    C@H](O)[S+](O)(O)=O; CC(C)CC(C(=O)NC(CC1
    CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2CC
    3CCCCC3; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@
    H]1CCNC1=O)[C@H](O)[S+](=O)(O)O)NC(=O)OC
    [C@@H]2C[C@H]2CC3CCCCC3    		 [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    36728 SD7 1 C14 H19 N3 O S InChI=1S/C14H19N3OS/c1-8(
    7-15)5-9-3-4-11(18-2)13-1
    0(9)6-12(19-13)14(16)17/h
    3-4,6,8H,5,7,15H2,1-2H3,(
    H3,16,17)/t8-/m0/s1;
    HWNLBEKYMLWJTF-QMMMGPOBSA-N    		 COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N; CC(
    Cc1ccc(c2c1cc(s2)C(=N)N)OC)CN; [H]/N=C(\
    c1cc2c(ccc(c2s1)OC)C[C@H](C)CN)/N; COc1c
    cc(C[C@H](C)CN)c2cc(sc12)C(N)=N    		 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide
    36729 SD8
    DB08540
    ZINC000003874949    		 1 C18 H20 N4 O2 S2 InChI=1S/C18H20N4O2S2/c1-
    2-24-17(23)14-11-26-18(20
    -14)22-9-7-21(8-10-22)16-
    12-25-15-6-4-3-5-13(15)19
    -16/h3-6,11H,2,7-10,12H2,
    1H3;
    AQJQFCRTSWIUCY-UHFFFAOYSA-N    		 O=C(OCC)c1nc(sc1)N4CCN(C2=Nc3c(SC2)cccc3
    )CC4; CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4c
    cccc4SC3    		 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER;
    SDZ 880-061
    36730 SD9 1 C10 H16 N6 S InChI=1S/C10H16N6S/c1-8-9
    (16-7-15-8)5-17-4-3-13-10
    (12-2)14-6-11/h7H,3-5H2,1
    -2H3,(H,15,16)(H2,12,13,1
    4);
    AQIXAKUUQRKLND-UHFFFAOYSA-N    		 CNC(NCCSCc1nc[nH]c1C)=NC#N; Cc1c(nc[nH]1
    )CSCCN/C(=N\C#N)/NC; Cc1c(nc[nH]1)CSCCNC
    (=NC#N)NC    		 Cimetidine;
    2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
    36731 SDA
    CHEMBL70020
    ZINC000001255236    		 1 C6 H6 Cl2 N2 O2 S InChI=1S/C6H6Cl2N2O2S/c7-
    4-1-3(13(10,11)12)2-5(8)6
    (4)9/h1-2H,9H2,(H2,10,11,
    12);
    DVZMRTJKNJKEGV-UHFFFAOYSA-N    		 c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N; Nc1c(Cl)c
    c(cc1Cl)[S](N)(=O)=O; Clc1cc(cc(Cl)c1N)S
    (=O)(=O)N    		 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE
    36732 SDB 0 C7 H13 N3 O3 InChI=1S/C7H13N3O3/c8-4(3
    -11)6-9-2-1-5(10-6)7(12)1
    3/h4-5,11H,1-3,8H2,(H,9,1
    0)(H,12,13)/t4-,5+/m1/s1;
    VUUJBNDKGSHBPM-UHNVWZDZSA-N    		 N[CH](CO)C1=NCC[CH](N1)C(O)=O; O=C(O)C1N
    C(=NCC1)C(N)CO; C1CN=C(NC1C(=O)O)C(CO)N;
    C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N; N[C@
    H](CO)C1=NCC[C@H](N1)C(O)=O    		 (4S)-2-[(1S)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
    36733 SDC
    DB02689
    ZINC000005828870    		 3 C5 H12 N2 O4 S2 InChI=1S/C5H12N2O4S2/c6-4
    (5(8)9)3-12-1-2-13(7,10)1
    1/h4H,1-3,6H2,(H,8,9)(H2,
    7,10,11)/t4-/m0/s1;
    ZRCBQBJBRHIRRG-BYPYZUCNSA-N    		 C(CS(=O)(=O)N)SCC(C(=O)O)N; C(CS(=O)(=O)
    N)SC[C@@H](C(=O)O)N; N[CH](CSCC[S](N)(=O
    )=O)C(O)=O; O=S(=O)(N)CCSCC(N)C(=O)O; N[
    C@@H](CSCC[S](N)(=O)=O)C(O)=O    		 S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE
    36734 SDD
    ZINC000005131991    		 8 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5+,6+/
    m1/s1;
    BJHIKXHVCXFQLS-PYWDMBMJSA-N    		 O=C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O
    )O)O)O; C([C@H]([C@@H]([C@H](C(=O)CO)O)O
    )O)O; OC[CH](O)[CH](O)[CH](O)C(=O)CO; OC
    [C@@H](O)[C@H](O)[C@@H](O)C(=O)CO    		 D-sorbose
    36735 SDE
    ZINC000098209394    		 0 C14 H22 N5 O8 P InChI=1S/C14H22N5O8P/c20-
    7-1-11(27-10(7)4-26-28(23
    ,24)25)19-6-17-12-13(15-5
    -16-14(12)19)18-2-8(21)9(
    22)3-18/h5-11,20-25,28H,1
    -4H2/t7-,8-,9-,10+,11+/m0
    /s1;
    AFIPVZHEZSDVQA-LADJIXMOSA-N    		 O[CH]1C[CH](O[CH]1CO[PH](O)(O)O)n2cnc3c(
    ncnc23)N4C[CH](O)[CH](O)C4; c1nc2c(c(n1)
    N3CC(C(C3)O)O)ncn2C4CC(C(O4)COP(O)(O)O)O
    ; O[C@H]1C[C@@H](O[C@@H]1CO[PH](O)(O)O)n
    2cnc3c(ncnc23)N4C[C@H](O)[C@@H](O)C4; c1
    nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@
    H]4C[C@@H]([C@H](O4)COP(O)(O)O)O; n3c1c(
    ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(
    O)(O)O    		 (S,S)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
    36736 SDF
    ZINC000051197256    		 1 C7 H7 Cl2 O3 P S InChI=1S/C7H7Cl2O3PS/c8-4
    -1-2-5(6(9)3-4)7(14)13(10
    ,11)12/h1-3,7,14H,(H2,10,
    11,12)/t7-/m1/s1;
    WJVBVZOYOCLGPI-SSDOTTSWSA-N    		 c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S; Clc1cc(Cl
    )ccc1C(S)P(=O)(O)O; O[P](O)(=O)[C@H](S)c
    1ccc(Cl)cc1Cl; O[P](O)(=O)[CH](S)c1ccc(C
    l)cc1Cl    		 [(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid;
    alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acid
    36737 SDG 0 C10 H14 N5 O6 P Se InChI=1S/C10H14N5O6PSe/c1
    1-10-13-8-7(9(23)14-10)12
    -3-15(8)6-1-4(16)5(21-6)2
    -20-22(17,18)19/h3-6,16H,
    1-2H2,(H2,17,18,19)(H3,11
    ,13,14,23)/t4-,5+,6+/m0/s
    1;
    RNSTWFSCXYEWJZ-KVQBGUIXSA-N    		 Nc1nc([SeH])c2ncn([CH]3C[CH](O)[CH](CO[P
    ](O)(O)=O)O3)c2n1; c1nc2c(n1[C@H]3C[C@@H
    ]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N;
    Nc1nc([SeH])c2ncn([C@H]3C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O3)c2n1; c1nc2c(n1C3CC(C(O
    3)COP(=O)(O)O)O)nc(nc2[SeH])N; O=P(O)(O)
    OCC3OC(n2cnc1c([SeH])nc(nc12)N)CC3O    		 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine-6-selenol
    36738 SDH
    ZINC000098209395    		 0 C10 H16 N5 O9 P InChI=1S/C10H16N5O9P/c11-
    8-12-6(17)10(14-8)7(18)13
    -9(19)15(10)5-1-3(16)4(24
    -5)2-23-25(20,21)22/h3-5,
    16,20-22,25H,1-2H2,(H,13,
    18,19)(H3,11,12,14,17)/t3
    -,4+,5+,10+/m0/s1;
    BTPRAWLYZNCXOI-XPCBYELVSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]
    23C(=O)N=C(N3)N)COP(O)(O)O)O; NC1=NC(=O)
    [C]2(N1)N([CH]3C[CH](O)[CH](CO[PH](O)(O)
    O)O3)C(=O)NC2=O; NC1=NC(=O)[C@@]2(N1)N([
    C@H]3C[C@H](O)[C@@H](CO[PH](O)(O)O)O3)C(
    =O)NC2=O; C1C(C(OC1N2C(=O)NC(=O)C23C(=O)
    N=C(N3)N)COP(O)(O)O)O; O=C2NC(=O)N(C21NC
    (=NC1=O)N)C3OC(C(O)C3)COP(O)(O)O    		 (5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
    36739 SDJ
    ZINC000584905670    		 2 C25 H35 N5 O2 InChI=1S/C25H35N5O2/c31-1
    7-23(13-22-14-26-18-29-22
    )28-15-24-12-19-6-4-5-7-2
    0(19)16-30(24)25(32)10-11
    -27-21-8-2-1-3-9-21/h1-3,
    8-9,14,17-20,23-24,27-28H
    ,4-7,10-13,15-16H2,(H,26,
    29)/t19-,20-,23+,24+/m1/s
    1;
    HCMRRQNNHUOUJM-CHOVIJNXSA-N    		 c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[
    C@H]2CN[C@@H](Cc4cnc[nH]4)C=O; O=C[C@H](
    Cc1[nH]cnc1)NC[C@@H]2C[C@H]3CCCC[C@@H]3C
    N2C(=O)CCNc4ccccc4; O=C(N3C(CNC(C=O)Cc1n
    cnc1)CC2CCCCC2C3)CCNc4ccccc4; c1ccc(cc1)
    NCCC(=O)N2CC3CCCCC3CC2CNC(Cc4cnc[nH]4)C=
    O; O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC
    [CH]3CN2C(=O)CCNc4ccccc4    		 (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
    36740 SDK
    CHEMBL281540
    ZINC000028771534    		 1 C31 H42 N4 O7 InChI=1S/C31H42N4O7/c1-21
    (2)15-26(34-30(39)41-19-2
    3-11-7-5-8-12-23)28(37)32
    -17-25(36)18-33-29(38)27(
    16-22(3)4)35-31(40)42-20-
    24-13-9-6-10-14-24/h5-14,
    21-22,26-27H,15-20H2,1-4H
    3,(H,32,37)(H,33,38)(H,34
    ,39)(H,35,40)/t26-,27-/m0
    /s1;
    APGQPPIXNOCMOK-SVBPBHIXSA-N    		 CC(C)CC(C(=O)NCC(=O)CNC(=O)C(CC(C)C)NC(=
    O)OCc1ccccc1)NC(=O)OCc2ccccc2; O=C(OCc1c
    cccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2
    ccccc2)CC(C)C)CC(C)C; CC(C)C[C@@H](C(=O)
    NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc
    cc1)NC(=O)OCc2ccccc2; CC(C)C[CH](NC(=O)O
    Cc1ccccc1)C(=O)NCC(=O)CNC(=O)[CH](CC(C)C
    )NC(=O)OCc2ccccc2; CC(C)C[C@H](NC(=O)OCc
    1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)
    NC(=O)OCc2ccccc2    		 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE;
    SYMMETRIC DIACYLAMINOETHYL KETONE
    36741 SDL
    CHEMBL292008
    DB17589
    ZINC000004674533    		 4 C13 H17 N5 O6 InChI=1S/C13H17N5O6/c1-2-
    3-17-6-9(15-12(14)16-10(6
    )22)18(13(17)23)11-8(21)7
    (20)5(4-19)24-11/h2,5,7-8
    ,11,19-21H,1,3-4H2,(H3,14
    ,15,16,22)/t5-,7-,8-,11-/
    m1/s1;
    VDCRFBBZFHHYGT-IOSLPCCCSA-N    		 NC1=NC2=C(N(CC=C)C(=O)N2[C@@H]3O[C@H](CO
    )[C@@H](O)[C@H]3O)C(=O)N1; C=CCN1C2=C(N=
    C(NC2=O)N)N(C1=O)C3C(C(C(O3)CO)O)O; NC1=
    NC2=C(N(CC=C)C(=O)N2[CH]3O[CH](CO)[CH](O
    )[CH]3O)C(=O)N1; C=CCN1C2=C(N=C(NC2=O)N)
    N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O
    )O    		 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione;
    Loxoribine
    36742 SDM 1 C11 H12 N2 O S InChI=1S/C11H12N2OS/c1-2-
    14-8-4-3-5-9-7(8)6-10(15-
    9)11(12)13/h3-6H,2H2,1H3,
    (H3,12,13);
    LOIXMYZGPMLLIW-UHFFFAOYSA-N    		 N=C(N)c1cc2c(cccc2s1)OCC; CCOc1cccc2c1cc
    (s2)C(=N)N; [H]/N=C(\c1cc2c(cccc2s1)OCC)
    /N; CCOc1cccc2sc(cc12)C(N)=N    		 4-ethoxy-1-benzothiophene-2-carboximidamide
    36743 SDN
    DB08541
    ZINC000024960091    		 4 C16 H14 O5 InChI=1S/C16H14O5/c1-8-14
    -10(6-11(21-8)7-13(18)19)
    5-9-3-2-4-12(17)15(9)16(1
    4)20/h2-5,11,17H,6-7H2,1H
    3,(H,18,19)/t11-/m0/s1;
    HHXSOTFPYPQSBU-NSHDSACASA-N    		 CC1=C2C(=Cc3cccc(O)c3C2=O)C[C@@H](CC(O)=
    O)O1; O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=
    O)O)C; CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)C
    C(=O)O; CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H]
    (O1)CC(=O)O; CC1=C2C(=Cc3cccc(O)c3C2=O)C
    [CH](CC(O)=O)O1    		 [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid;
    4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid
    36744 SDO
    ZINC000263621070    		 1 C19 H35 N2 O8 P S InChI=1S/C19H35N2O8PS/c1-
    14(22)5-4-6-15(23)8-11-31
    -12-10-20-16(24)7-9-21-18
    (26)17(25)19(2,3)13-29-30
    (27)28/h17,25,27-28H,4-13
    H2,1-3H3,(H,20,24)(H,21,2
    6)/t17-/m1/s1;
    TUVOCCHXVSLSRA-QGZVFWFLSA-N    		 CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C
    (C)(C)COP(O)O)O; O=C(NCCSCCC(=O)CCCC(=O)
    C)CCNC(=O)C(O)C(C)(C)COP(O)O; CC(=O)CCCC
    (=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)COP
    (O)O; CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[
    C@@H](O)C(C)(C)COP(O)O; CC(=O)CCCC(=O)CC
    SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)O)O    		 N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
    36745 SDP
    DB02364
    ZINC000006595392    		 0 C7 H16 N O6 P InChI=1S/C7H16NO6P/c1-3-1
    2-15(11,13-4-2)14-5-6(8)7
    (9)10/h6H,3-5,8H2,1-2H3,(
    H,9,10)/t6-/m0/s1;
    MOFCKRBDMJNCOC-LURJTMIESA-N    		 CCO[P](=O)(OCC)OC[C@H](N)C(O)=O; O=C(O)C
    (N)COP(=O)(OCC)OCC; CCO[P](=O)(OCC)OC[CH
    ](N)C(O)=O; CCOP(=O)(OCC)OCC(C(=O)O)N; C
    COP(=O)(OCC)OC[C@@H](C(=O)O)N    		 2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID
    36746 SDQ
    CHEMBL1224557
    ZINC000003873647    		 1 C7 H8 S InChI=1S/C7H8S/c8-6-7-4-2
    -1-3-5-7/h1-5,8H,6H2;
    UENWRTRMUIOCKN-UHFFFAOYSA-N    		 c1ccc(cc1)CS; SCc1ccccc1 phenylmethanethiol
    36747 SDR
    ZINC000073198981    		 2 C15 H26 N2 O6 InChI=1S/C15H26N2O6/c1-3-
    4-5-6-7-8-11(15(22)23)17-
    14(21)12(9-13(19)20)16-10
    (2)18/h11-12H,3-9H2,1-2H3
    ,(H,16,18)(H,17,21)(H,19,
    20)(H,22,23)/t11-,12-/m0/
    s1;
    IRKQLRPKWIMPEM-RYUDHWBXSA-N    		 CCCCCCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C;
    CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)
    O)NC(=O)C; CCCCCCC[CH](NC(=O)[CH](CC(O)=
    O)NC(C)=O)C(O)=O; CCCCCCC[C@H](NC(=O)[C@
    H](CC(O)=O)NC(C)=O)C(O)=O; O=C(NC(C(=O)O
    )CCCCCCC)C(NC(=O)C)CC(=O)O    		 (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid
    36748 SDS
    CHEMBL1204779
    DB03967
    ZINC000001532179    		 26 C12 H26 O4 S InChI=1S/C12H26O4S/c1-2-3
    -4-5-6-7-8-9-10-11-12-16-
    17(13,14)15/h2-12H2,1H3,(
    H,13,14,15);
    MOTZDAYCYVMXPC-UHFFFAOYSA-N    		 CCCCCCCCCCCCO[S](O)(=O)=O; CCCCCCCCCCCCO
    S(=O)(=O)O; O=S(=O)(OCCCCCCCCCCCC)O    		 DODECYL SULFATE
    36749 SDT
    DB08542    		 2 C19 H24 O4 InChI=1S/C19H24O4/c1-11-3
    -7-16(21)18(23)12(11)4-5-
    13-14-6-8-17(22)19(14,2)1
    0-9-15(13)20/h3,7,13-14,2
    1,23H,4-6,8-10H2,1-2H3/t1
    3-,14-,19-/m0/s1;
    YUHVBHDSVLKFNI-NJSLBKSFSA-N    		 Cc1ccc(O)c(O)c1CC[C@H]2[C@@H]3CCC(=O)[C@
    @]3(C)CCC2=O; Cc1ccc(O)c(O)c1CC[CH]2[CH]
    3CCC(=O)[C]3(C)CCC2=O; O=C3C(CCc1c(ccc(O
    )c1O)C)C2C(C(=O)CC2)(CC3)C; Cc1ccc(c(c1C
    C[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O;
    Cc1ccc(c(c1CCC2C3CCC(=O)C3(CCC2=O)C)O)O    		 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione;
    3,4-dhsa
    36750 SDU 1 C18 H28 N8 O5 InChI=1S/C18H28N8O5/c19-1
    0(18(29)30)2-4-25(9-1-3-2
    1-5-9)6-11-13(27)14(28)17
    (31-11)26-8-24-12-15(20)2
    2-7-23-16(12)26/h7-11,13-
    14,17,21,27-28H,1-6,19H2,
    (H,29,30)(H2,20,22,23)/t9
    -,10-,11+,13+,14+,17+/m0/
    s1;
    TZJIJYUFASCLJJ-GTAFEMJLSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O
    )O)N)C4CCNC4)O)O)N; N[C@@H](CCN(C[C@H]1O
    [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)
    [C@H]4CCNC4)C(O)=O; N[CH](CCN(C[CH]1O[CH
    ]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4CC
    NC4)C(O)=O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@
    H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)
    [C@H]4CCNC4)O)O)N    		 (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid
    36751 SDV 1 C21 H17 F N4 O2 InChI=1S/C21H17FN4O2/c22-
    15-7-2-4-10-19(15)26-18-1
    1-5-9-16(14(18)12-23-26)2
    4-21(27)20-13-6-1-3-8-17(
    13)25-28-20/h1-4,6-8,10,1
    2,16H,5,9,11H2,(H,24,27)/
    t16-/m1/s1;
    KVYFUACEMBMTLM-MRXNPFEDSA-N    		 c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn
    4c5ccccc5F; Fc1ccccc1n2ncc3[CH](CCCc23)N
    C(=O)c4onc5ccccc45; c1ccc2c(c1)c(on2)C(=
    O)NC3CCCc4c3cnn4c5ccccc5F; Fc1ccccc1n2nc
    c3[C@@H](CCCc23)NC(=O)c4onc5ccccc45    		 N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide
    36752 SDW 2 C17 H14 I N3 InChI=1S/C17H14IN3/c18-12
    -7-9-13(10-8-12)19-17-14-
    3-1-2-4-15(14)20-16(21-17
    )11-5-6-11/h1-4,7-11H,5-6
    H2,(H,19,20,21);
    JENOGSHDNMPWIS-UHFFFAOYSA-N    		 Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1; c1ccc
    2c(c1)c(nc(n2)C3CC3)Nc4ccc(cc4)I    		 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine
    36753 SDX
    ZINC000263620588    		 8 C28 H46 N7 O22 P3 InChI=1S/C28H46N7O22P3/c1
    -27(2,21(41)24(42)31-7-5-
    16(37)30-6-3-4-14(36)8-28
    (45,26(43)44)9-17(38)39)1
    1-54-60(51,52)57-59(49,50
    )53-10-15-20(56-58(46,47)
    48)19(40)25(55-15)35-13-3
    4-18-22(29)32-12-33-23(18
    )35/h12-13,15,19-21,24-25
    ,31,40-42,45H,3-11H2,1-2H
    3,(H,30,37)(H,38,39)(H,43
    ,44)(H,49,50)(H,51,52)(H2
    ,29,32,33)(H2,46,47,48)/t
    15-,19-,20-,21+,24+,25-,2
    8-/m1/s1;
    JCKIRWYQPYQCEC-LWCHDFGBSA-N    		 CC(C)(CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O
    [C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3
    c(N)ncnc23)[C@@H](O)[C@H](O)NCCC(=O)NCCC
    C(=O)C[C@@](O)(CC(O)=O)C(O)=O; O=C(O)C(O
    )(CC(=O)O)CC(=O)CCCNC(=O)CCNC(O)C(O)C(C)
    (C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncn
    c12)N)C(O)C3OP(=O)(O)O; CC(C)(CO[P](O)(=
    O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[
    P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)[CH](
    O)NCCC(=O)NCCCC(=O)C[C](O)(CC(O)=O)C(O)=
    O; CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1
    )n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(NCCC(=O
    )NCCCC(=O)CC(CC(=O)O)(C(=O)O)O)O)O; CC(C
    )(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C
    @H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[
    C@@](CC(=O)O)(C(=O)O)O)O)O    		 s-citryldethia Coenzyme A
    36754 SDY
    ZINC000003830678    		 3 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4+,5+,6-/m
    1/s1;
    WQZGKKKJIJFFOK-QBFJYBIGSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH](O
    )[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C@@H](O
    )[C@@H](O)[C@@H](O)[C@H]1O; C([C@@H]1[C@
    @H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O    		 beta-D-talopyranose;
    beta-D-talose;
    D-talose;
    talose;
    beta-D-talopyranosose
    36755 SDZ
    DB08543
    ZINC000031356524    		 1 C24 H33 N3 O2 InChI=1S/C24H33N3O2/c28-2
    2(18-26-14-16-27(17-15-26
    )24-8-4-5-13-25-24)19-29-
    23-11-9-21(10-12-23)20-6-
    2-1-3-7-20/h4-5,8-13,20,2
    2,28H,1-3,6-7,14-19H2/t22
    -/m0/s1;
    BZJHCQBNFUNZPJ-QFIPXVFZSA-N    		 c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)
    C4CCCCC4)O; OC(CN2CCN(c1ncccc1)CC2)COc3c
    cc(cc3)C4CCCCC4; c1ccnc(c1)N2CCN(CC2)CC(
    COc3ccc(cc3)C4CCCCC4)O; O[CH](COc1ccc(cc
    1)C2CCCCC2)CN3CCN(CC3)c4ccccn4; O[C@H](C
    Oc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4    		 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
    36756 SE
    CHEMBL1235891    		 31 Se InChI=1S/H2Se/h1H2;
    SPVXKVOXSXTJOY-UHFFFAOYSA-N    		 [SeH2]; [Se] SELENIUM ATOM
    36757 SE0
    ZINC000058660924    		 0 C17 H23 N3 O7 S2 InChI=1S/C17H23N3O7S2/c1-
    8-7-29-14(20-12(8)16(24)2
    5)13(17(26)27-6-10(18)15(
    22)23)19-11(21)5-9-3-2-4-
    28-9/h9-10,13-14H,1-7,18H
    2,(H,19,21)(H,22,23)(H,24
    ,25)/t9-,10+,13+,14-/m1/s
    1;
    FCBSKCJFRDWCLK-XXSPCDMZSA-N    		 N[CH](COC(=O)[CH](NC(=O)C[CH]1CCCS1)[CH]
    2SCC(=C)C(=N2)C(O)=O)C(O)=O; C=C1CS[C@@H
    ](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O
    )N)NC(=O)CC2CCCS2; N[C@@H](COC(=O)[C@@H]
    (NC(=O)C[C@H]1CCCS1)[C@H]2SCC(=C)C(=N2)C
    (O)=O)C(O)=O; C=C1CSC(N=C1C(=O)O)C(C(=O)
    OCC(C(=O)O)N)NC(=O)CC2CCCS2; O=C(NC(C(=O
    )OCC(C(=O)O)N)C1N=C(C(=O)O)\C(=C)CS1)CC2
    SCCC2    		 (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2R)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    36758 SE1 1 C23 H25 N O4 S2 InChI=1S/C23H25NO4S2/c25-
    22(26)18-5-1-2-6-19(18)29
    -20-7-3-4-8-21(20)30(27,2
    8)24-23-12-15-9-16(13-23)
    11-17(10-15)14-23/h1-8,15
    -17,24H,9-14H2,(H,25,26)/
    t15-,16+,17-,23-;
    IEUWYSKTODWTNP-FWWHLXPUSA-N    		 c1ccc(c(c1)C(=O)O)Sc2ccccc2S(=O)(=O)NC34
    CC5CC(C3)CC(C5)C4; OC(=O)c1ccccc1Sc2cccc
    c2[S](=O)(=O)NC34CC5CC(CC(C5)C3)C4; O=C(
    O)c1ccccc1Sc1ccccc1S(=O)(=O)NC12CC3CC(C1
    )CC(C2)C3    		 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid
    36759 SE2
    CHEMBL150372
    ZINC000000336205    		 5 C9 H6 O3 InChI=1S/C9H6O3/c10-7-5-6
    -3-1-2-4-8(6)12-9(7)11/h1
    -5,10H;
    MJKVTPMWOKAVMS-UHFFFAOYSA-N    		 OC1=Cc2ccccc2OC1=O; c1ccc2c(c1)C=C(C(=O)
    O2)O; O=C2Oc1ccccc1C=C2O    		 3-HYDROXY-2H-CHROMEN-2-ONE
    36760 SE3 1 C21 H21 Cl N4 O S InChI=1S/C21H21ClN4OS/c1-
    21(2,26-16-8-6-15(22)7-9-
    16)20(27)25-17-5-3-4-13(1
    0-17)14-11-18(19(23)24)28
    -12-14/h3-12,26H,1-2H3,(H
    3,23,24)(H,25,27);
    HSJWVLHTKFAHIV-UHFFFAOYSA-N    		 [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C
    )Nc3ccc(cc3)Cl)\N; CC(C)(Nc1ccc(Cl)cc1)C
    (=O)Nc2cccc(c2)c3csc(c3)C(N)=N; CC(C)(C(
    =O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Nc3ccc(cc3
    )Cl    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
    36761 SE4 2 O4 Se InChI=1S/H2O4Se/c1-5(2,3)
    4/h(H2,1,2,3,4)/p-2;
    QYHFIVBSNOWOCQ-UHFFFAOYSA-L    		 [O-][Se]([O-])(=O)=O; [O-][Se](=O)(=O)[O
    -]    		 SELENATE ION
    36762 SE5
    CHEMBL453239
    ZINC000034456441    		 2 C13 H12 Cl N O2 InChI=1S/C13H12ClNO2/c14-
    11-5-3-9(4-6-11)1-2-10-7-
    12(13(16)17)15-8-10/h3-8,
    15H,1-2H2,(H,16,17);
    JXYKONJPFAHRTG-UHFFFAOYSA-N    		 c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl; OC(=O)
    c1[nH]cc(CCc2ccc(Cl)cc2)c1; O=C(O)c1cc(c
    n1)CCc2ccc(Cl)cc2    		 4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid
    36763 SE6 1 C7 H14 O8 P2 InChI=1S/C7H14O8P2/c1-2-3
    -7(6-8)4-5-14-17(12,13)15
    -16(9,10)11/h2,4,8H,1,3,5
    -6H2,(H,12,13)(H2,9,10,11
    )/b7-4+;
    RHMQIVMXZYACOO-QPJJXVBHSA-N    		 OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O; OC\
    C(CC=C)=C\CO[P](O)(=O)O[P](O)(O)=O; C=CC
    C(=CCOP(=O)(O)OP(=O)(O)O)CO; C=CC/C(=C\C
    OP(=O)(O)OP(=O)(O)O)/CO    		 [(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate
    36764 SE7 0 C3 H7 N O4 Se InChI=1S/C3H7NO4Se/c4-2(3
    (5)6)1-9(7)8/h2H,1,4H2,(H
    ,5,6)(H,7,8)/t2-/m0/s1;
    CNQFMZMZJWKKEH-REOHCLBHSA-N    		 O=C(O)C(N)C[Se](=O)O; C(C(C(=O)O)N)[Se](
    =O)O; N[C@@H](C[Se](O)=O)C(O)=O; C([C@@H
    ](C(=O)O)N)[Se](=O)O; N[CH](C[Se](O)=O)C
    (O)=O    		 2-AMINO-3-SELENINO-PROPIONIC ACID
    36765 SE8
    ZINC000014714810    		 1 C16 H24 N4 O11 InChI=1S/C16H24N4O11/c17-
    8(13(25)26)7-20-12(24)6-1
    6(31,15(29)30)5-11(23)19-
    4-3-18-10(22)2-1-9(21)14(
    27)28/h8,31H,1-7,17H2,(H,
    18,22)(H,19,23)(H,20,24)(
    H,25,26)(H,27,28)(H,29,30
    )/t8-,16-/m0/s1;
    SIAZVTIHOHTZDD-PWJLMRLQSA-N    		 C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(
    =O)O)N)(C(=O)O)O)C(=O)C(=O)O; N[CH](CNC(
    =O)C[C](O)(CC(=O)NCCNC(=O)CCC(=O)C(O)=O)
    C(O)=O)C(O)=O; N[C@@H](CNC(=O)C[C@@](O)(
    CC(=O)NCCNC(=O)CCC(=O)C(O)=O)C(O)=O)C(O)
    =O; O=C(NCC(C(=O)O)N)CC(O)(C(=O)O)CC(=O)
    NCCNC(=O)CCC(=O)C(=O)O; C(CC(=O)NCCNC(=O
    )CC(CC(=O)NCC(C(=O)O)N)(C(=O)O)O)C(=O)C(
    =O)O    		 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid;
    Staphyloferrin B
    36766 SE9 2 C20 H17 F3 N4 O4 InChI=1S/C20H17F3N4O4/c1-
    31-14-9-11(5-7-24-14)6-8-
    25-18(29)15-16(28)19(30)2
    7-17(26-15)12-3-2-4-13(10
    -12)20(21,22)23/h2-5,7,9-
    10,28H,6,8H2,1H3,(H,25,29
    )(H,26,27,30);
    CJUKCSPPUSTPJP-UHFFFAOYSA-N    		 COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3c
    ccc(c3)C(F)(F)F)O; COc1cc(CCNC(=O)C2=C(O
    )C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1; OC
    1=C(N=C(NC1=O)c1cccc(c1)C(F)(F)F)C(=O)NC
    Cc1ccnc(OC)c1    		 (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
    36767 SEA 0 C2 H7 N S InChI=1/C2H7NS/c3-1-2-4/h
    4H,1-3H2;
    UFULAYFCSOUIOV-UHFFFAOYAX    		 SCCN; C(CS)N; NCCS THIOETHYLAMINE
    36768 SEB
    DB01973
    ZINC000012501417    		 0 C10 H13 N O5 S InChI=1S/C10H13NO5S/c11-9
    (10(12)13)6-16-17(14,15)7
    -8-4-2-1-3-5-8/h1-5,9H,6-
    7,11H2,(H,12,13)/t9-/m0/s
    1;
    GCZVEKLTOLTWLM-VIFPVBQESA-N    		 c1ccc(cc1)CS(=O)(=O)OCC(C(=O)O)N; O=C(O)
    C(N)COS(=O)(=O)Cc1ccccc1; c1ccc(cc1)CS(=
    O)(=O)OC[C@@H](C(=O)O)N; N[C@@H](CO[S](=
    O)(=O)Cc1ccccc1)C(O)=O; N[CH](CO[S](=O)(
    =O)Cc1ccccc1)C(O)=O    		 O-BENZYLSULFONYL-SERINE
    36769 SEC
    CHEMBL109962
    DB02345    		 6 C3 H7 N O2 Se InChI=1S/C3H7NO2Se/c4-2(1
    -7)3(5)6/h2,7H,1,4H2,(H,5
    ,6)/t2-/m0/s1;
    ZKZBPNGNEQAJSX-REOHCLBHSA-N    		 O=C(O)C(N)C[SeH]; C(C(C(=O)O)N)[SeH]; C(
    [C@@H](C(=O)O)N)[SeH]; N[C@@H](C[SeH])C(
    O)=O; N[CH](C[SeH])C(O)=O    		 SELENOCYSTEINE
    36770 SEE
    ZINC000198032391    		 1 C3 H9 B N O6 InChI=1S/C3H9BNO6/c5-2(3(
    6)7)1-11-4(8,9)10/h2,8-10
    H,1,5H2,(H,6,7)/q-1/t2-/m
    0/s1;
    IVIUHRYRMDVYGR-REOHCLBHSA-N    		 [B-](O)(O)(O)OC[C@@H](C(=O)O)N; [B-](O)(
    O)(O)OCC(C(=O)O)N; N[C@@H](CO[B-](O)(O)O
    )C(O)=O; O=C(O)C(N)CO[B-](O)(O)O; N[CH](
    CO[B-](O)(O)O)C(O)=O    		 trihydroxy(L-serinato-kappaO~3~)borate(1-)
    36771 SEF
    ZINC000098209397    		 1 C20 H37 F N O4 P InChI=1S/C20H37FNO4P/c1-3
    -5-6-11-14-17-22-20(23)25
    -18-15-12-9-7-8-10-13-16-
    19-27(21,24)26-4-2/h1H,4-
    19H2,2H3,(H,22,23)/t27-/m
    1/s1;
    JFCFPSBLBVUKMV-HHHXNRCGSA-N    		 CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F;
    CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
    ; CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F;
    FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C; CC
    O[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C    		 ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
    36772 SEG 0 C3 H7 N O3 InChI=1/C3H7NO3/c4-2(1-5)
    3(6)7/h2,5H,1,4H2,(H,6,7)
    /t2-/m0/s1/f/h6H;
    MTCFGRXMJLQNBG-ODVHTPRODA    		 N[CH](CO)C(O)=O; C(C(C(=O)O)N)O; N[C@@H]
    (CO)C(O)=O; O=C(O)C(N)CO; C([C@@H](C(=O)
    O)N)O    		 HYDROXYALANINE
    36773 SEH
    DB04779
    ZINC000012504511    		 1 C10 H13 N O4 S2 InChI=1S/C10H13NO4S2/c1-2
    -16-10(11-15-17(12,13)14)
    8-9-6-4-3-5-7-9/h3-7H,2,8
    H2,1H3,(H,12,13,14)/b11-1
    0-;
    VZFUNHITNWTQFU-KHPPLWFESA-N    		 CCSC(Cc1ccccc1)=NO[S](O)(=O)=O; O=S(=O)(
    O)O\N=C(/SCC)Cc1ccccc1; CCS/C(=N\OS(=O)(
    =O)O)/Cc1ccccc1; CCSC(=NOS(=O)(=O)O)Cc1c
    cccc1; CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O    		 S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE;
    ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
    36774 SEI
    CHEMBL56852
    ZINC000003922674    		 2 C29 H37 F5 N4 O6 InChI=1S/C29H37F5N4O6/c1-
    16(2)21(23(39)28(30,31)29
    (32,33)34)35-25(41)20-6-5
    -11-38(20)27(43)22(17(3)4
    )36-24(40)18-7-9-19(10-8-
    18)26(42)37-12-14-44-15-1
    3-37/h7-10,16-17,20-22H,5
    -6,11-15H2,1-4H3,(H,35,41
    )(H,36,40)/t20-,21-,22-/m
    0/s1;
    XQAMVCHQGHAELT-FKBYEOEOSA-N    		 CC(C)C(C(=O)C(C(F)(F)F)(F)F)NC(=O)C1CCCN
    1C(=O)C(C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCO
    CC3; CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC
    (=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c
    2ccc(cc2)C(=O)N3CCOCC3; O=C(c2ccc(C(=O)N
    C(C(=O)N1C(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)
    C(C)C)CCC1)C(C)C)cc2)N3CCOCC3; CC(C)[CH]
    (NC(=O)c1ccc(cc1)C(=O)N2CCOCC2)C(=O)N3CC
    C[CH]3C(=O)N[CH](C(C)C)C(=O)C(F)(F)C(F)(
    F)F; CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N2C
    COCC2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C
    )C(=O)C(F)(F)C(F)(F)F    		 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE;
    MDL 101,146
    36775 SEJ
    ZINC000001532588    		 2 C5 H10 O5 InChI=1S/C5H10O5/c6-2-1-1
    0-5(9)4(8)3(2)7/h2-9H,1H2
    /t2-,3-,4+,5-/m1/s1;
    SRBFZHDQGSBBOR-SQOUGZDYSA-N    		 C1C(C(C(C(O1)O)O)O)O; O[CH]1CO[CH](O)[CH
    ](O)[CH]1O; C1[C@H]([C@H]([C@@H]([C@@H](
    O1)O)O)O)O; O[C@@H]1CO[C@@H](O)[C@@H](O)
    [C@@H]1O    		 beta-D-arabinopyranose;
    beta-D-arabinose;
    D-arabinose;
    arabinose
    36776 SEK 9 C N Se InChI=1S/CHNSe/c2-1-3/h3H
    /p-1;
    CRDYSYOERSZTHZ-UHFFFAOYSA-M    		 C(#N)[Se-]; [Se-]C#N SELENOCYANATE ION
    36777 SEL
    CHEMBL116834
    ZINC000001609469    		 1 C3 H9 N O2 InChI=1S/C3H9NO2/c4-3(1-5
    )2-6/h3,5-6H,1-2,4H2;
    KJJPLEZQSCZCKE-UHFFFAOYSA-N    		 OCC(N)CO; C(C(CO)N)O; NC(CO)CO 2-AMINO-1,3-PROPANEDIOL;
    SERINOL
    36778 SEM
    ZINC000000086010    		 1 C10 H13 N O3 InChI=1S/C10H13NO3/c11-9(
    10(12)13)7-14-6-8-4-2-1-3
    -5-8/h1-5,9H,6-7,11H2,(H,
    12,13)/t9-/m0/s1;
    IDGQXGPQOGUGIX-VIFPVBQESA-N    		 O=C(O)C(N)COCc1ccccc1; N[CH](COCc1ccccc1
    )C(O)=O; N[C@@H](COCc1ccccc1)C(O)=O; c1c
    cc(cc1)COC[C@@H](C(=O)O)N; c1ccc(cc1)COC
    C(C(=O)O)N    		 O-benzyl-L-serine;
    (2S)-2-azanyl-3-phenylmethoxy-propanoic acid
    36779 SEN
    ZINC000058650550    		 0 C5 H13 N2 O5 P InChI=1S/C5H13N2O5P/c1-7(
    2)13(10,11)12-3-4(6)5(8)9
    /h4H,3,6H2,1-2H3,(H,8,9)(
    H,10,11)/t4-/m0/s1;
    HTPIRKVMFNYAHI-BYPYZUCNSA-N    		 CN(C)[P](O)(=O)OC[CH](N)C(O)=O; CN(C)P(=
    O)(O)OCC(C(=O)O)N; CN(C)[P@@](O)(=O)OC[C
    @H](N)C(O)=O; O=P(O)(OCC(N)C(=O)O)N(C)C;
    CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N    		 O-[N,N-dimethylphosphoramidate]-L-serine
    36780 SEO 0 C2 H6 O S InChI=1/C2H6OS/c3-1-2-4/h
    3-4H,1-2H2;
    DGVVWUTYPXICAM-UHFFFAOYAT    		 C(CS)O; OCCS 2-MERCAPTOETHANOL;
    2-SULFHYDRYL-ETHANOL
    36781 SEP
    CHEMBL284377
    DB04522
    ZINC000003869280    		 68 C3 H8 N O6 P InChI=1S/C3H8NO6P/c4-2(3(
    5)6)1-10-11(7,8)9/h2H,1,4
    H2,(H,5,6)(H2,7,8,9)/t2-/
    m0/s1;
    BZQFBWGGLXLEPQ-REOHCLBHSA-N    		 O=P(O)(O)OCC(C(=O)O)N; C(C(C(=O)O)N)OP(=
    O)(O)O; N[CH](CO[P](O)(O)=O)C(O)=O; N[C@
    @H](CO[P](O)(O)=O)C(O)=O; C([C@@H](C(=O)
    O)N)OP(=O)(O)O    		 PHOSPHOSERINE;
    PHOSPHONOSERINE
    36782 SEQ
    ZINC000006773252    		 8 C17 H21 N3 InChI=1S/C17H21N3/c1-2-6-
    13(7-3-1)18-17-14-8-4-5-9
    -15(14)19-16(20-17)12-10-
    11-12/h4-5,8-9,12-13H,1-3
    ,6-7,10-11H2,(H,18,19,20);
    ZQMGQZOHIDOPCQ-UHFFFAOYSA-N    		 c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4; C1CC
    C(CC1)Nc2nc(nc3ccccc23)C4CC4    		 ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine;
    TH10785
    36783 SER
    CHEMBL11298
    DB00133
    ZINC000000895034    		 297 C3 H7 N O3 InChI=1S/C3H7NO3/c4-2(1-5
    )3(6)7/h2,5H,1,4H2,(H,6,7
    )/t2-/m0/s1;
    MTCFGRXMJLQNBG-REOHCLBHSA-N    		 N[CH](CO)C(O)=O; C(C(C(=O)O)N)O; N[C@@H]
    (CO)C(O)=O; O=C(O)C(N)CO; C([C@@H](C(=O)
    O)N)O    		 SERINE
    36784 SES
    CHEMBL1235902
    DB01740    		 4 C10 H18 N2 Se InChI=1S/C10H18N2Se/c1-3-
    5-7-8-9(6-4-2)13-10(11)12
    -8/h3-7H2,1-2H3,(H2,11,12
    );
    DOUUMUUUWUAPPC-UHFFFAOYSA-N    		 n1c(c([se]c1N)CCC)CCCC; CCCCc1nc(N)[se]c
    1CCC; CCCCc1c([se]c(n1)N)CCC    		 4-butyl-5-propyl-1,3-selenazol-2-amine
    36785 SET
    CHEMBL1229083
    ZINC000094437874    		 1 C3 H8 N2 O2 InChI=1S/C3H8N2O2/c4-2(1-
    6)3(5)7/h2,6H,1,4H2,(H2,5
    ,7)/t2-/m0/s1;
    MGOGKPMIZGEGOZ-REOHCLBHSA-N    		 C([C@@H](C(=O)N)N)O; O=C(N)C(N)CO; N[CH]
    (CO)C(N)=O; N[C@@H](CO)C(N)=O; C(C(C(=O)
    N)N)O    		 AMINOSERINE
    36786 SEU 0 C3 H8 N2 S InChI=1/C3H8N2S/c1-2-6-3(
    4)5/h2H2,1H3,(H3,4,5)/f/h
    4H,5H2/b4-3-;
    VFIZBHJTOHUOEK-ZODMDLHRDO    		 CCSC(=N)N; CCSC(N)=N; [N@H]=C(SCC)N S-ETHYLISOTHIOUREA
    36787 SEV
    CHEMBL3430954
    ZINC000015432970    		 1 C20 H16 F2 N2 O4 S InChI=1S/C20H16F2N2O4S/c1
    -28-18-7-5-16(6-8-18)24-2
    9(26,27)19-4-2-3-17(12-19
    )23-20(25)13-9-14(21)11-1
    5(22)10-13/h2-12,24H,1H3,
    (H,23,25);
    PHNKXJVGPMJTLZ-UHFFFAOYSA-N    		 COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3
    cc(cc(c3)F)F; COc1ccc(N[S](=O)(=O)c2cccc
    (NC(=O)c3cc(F)cc(F)c3)c2)cc1    		 3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
    36788 SEY
    CHEMBL3187603    		 91 C H4 N2 Se InChI=1S/CH4N2Se/c2-1(3)4
    /h(H4,2,3,4);
    IYKVLICPFCEZOF-UHFFFAOYSA-N    		 NC(N)=[Se]; C(=[Se])(N)N; [Se]=C(N)N selenourea
    36789 SEZ
    CHEMBL1797281
    ZINC000001699890    		 0 C9 H12 InChI=1S/C9H12/c1-7-4-8(2
    )6-9(3)5-7/h4-6H,1-3H3;
    AUHZEENZYGFFBQ-UHFFFAOYSA-N    		 Cc1cc(cc(c1)C)C; Cc1cc(C)cc(C)c1 1,3,5-trimethylbenzene;
    mesitylene
    36790 SF0 1 C62 H89 N13 O14 P Rh InChI=1S/C62H90N13O14P.Rh
    /c1-29-20-39-40(21-30(29)
    2)75(28-70-39)57-52(84)53
    (41(27-76)87-57)89-90(85,
    86)88-31(3)26-69-49(83)18
    -19-59(8)37(22-46(66)80)5
    6-62(11)61(10,25-48(68)82
    )36(14-17-45(65)79)51(74-
    62)33(5)55-60(9,24-47(67)
    81)34(12-15-43(63)77)38(7
    1-55)23-42-58(6,7)35(13-1
    6-44(64)78)50(72-42)32(4)
    54(59)73-56;/h20-21,23,28
    ,31,34-37,41,52-53,56-57,
    76,84H,12-19,22,24-27H2,1
    -11H3,(H15,63,64,65,66,67
    ,68,69,71,72,73,74,77,78,
    79,80,81,82,83,85,86);/q;
    +1/p-1/t31-,34-,35-,36-,3
    7-,41+,52-,53-,56-,57-,59
    -,60+,61+,62+;/m1./s1;
    VWWNYPUYAVYGSM-SSEWGYSZSA-M    		 C[C@H](CNC(=O)CC[C@]1(C)[C@H](CC(N)=O)[C
    @H]2N=C1C(=C3[C@@H](CCC(N)=O)C(C)(C)C(=C
    C4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)
    [C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4
    CCC(N)=O)[N@@]3[Rh])C)O[P](O)(=O)O[C@H]6
    [C@@H](O)[C@@H](O[C@H]6CO)n7cnc8cc(C)c(C
    )cc78; Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)
    OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=
    [N]6[Rh]89[N]5=C4C(=C1N8C(=CC2=[N]9C(=C7
    C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(
    C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O;
    C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]
    2N=C1C(=C3[CH](CCC(N)=O)C(C)(C)C(=CC4=NC
    (=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC
    (N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)[N]3[
    Rh])C)O[P](O)(=O)O[CH]6[CH](O)[CH](O[CH]
    6CO)n7cnc8cc(C)c(C)cc78; Cc1cc2ncn(c2cc1
    C)C1OC(CO)C(OP(=O)(O)OC(C)CNC(=O)CCC2(C)
    C(CC(N)=O)C3N4=C2C(C)=C2C(CCC(N)=O)C(C)(
    C)C5=CC6=N7C(=C(C)C=8C(CCC(N)=O)C(C)(CC(
    N)=O)C3(C)N=8[Rh]74N52)C(C)(CC(N)=O)C6CC
    C(N)=O)C1O; Cc1cc2c(cc1C)n(cn2)[C@@H]3[C
    @@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](
    C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@
    @]([C@@H](C7=[N]6[Rh]89[N]5=C4C(=C1N8C(=
    CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)
    CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)CCC(=O)
    N)(C)CC(=O)N)C)CC(=O)N)C)O    		 [5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name)
    36791 SF1
    ZINC000016052418    		 2 C22 H16 Cl N O2 S InChI=1S/C22H16ClNO2S/c23
    -16-11-12-19-18(13-16)21(
    27-17-9-5-2-6-10-17)20(22
    (25)26)24(19)14-15-7-3-1-
    4-8-15/h1-13H,14H2,(H,25,
    26);
    RFESUVTWCSFPBG-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4cccc
    c4)Cl; Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O
    )O)Cc4ccccc4; OC(=O)c1n(Cc2ccccc2)c3ccc(
    Cl)cc3c1Sc4ccccc4    		 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID;
    SR145
    36792 SF2
    ZINC000016052421    		 2 C23 H18 Cl N O3 S InChI=1S/C23H18ClNO3S/c1-
    28-17-7-5-6-15(12-17)14-2
    5-20-11-10-16(24)13-19(20
    )22(21(25)23(26)27)29-18-
    8-3-2-4-9-18/h2-13H,14H2,
    1H3,(H,26,27);
    NCLZXEPMARCQOX-UHFFFAOYSA-N    		 COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4cc
    ccc4)Cl; COc1cccc(Cn2c3ccc(Cl)cc3c(Sc4cc
    ccc4)c2C(O)=O)c1; Clc1cc3c(cc1)n(c(c3Sc2
    ccccc2)C(=O)O)Cc4cccc(OC)c4    		 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID;
    SF147
    36793 SF3 48 Fe4 S3 InChI=1S/4Fe.3S;
    QQACTBFBZNWJMV-UHFFFAOYSA-N    		 S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]; S1[Fe
    ][S]2[Fe]1[S]([Fe]2)[Fe]; [Fe]S[Fe]S[Fe]
    S[Fe]    		 FE4-S3 CLUSTER
    36794 SF4 8754 Fe4 S4 InChI=1S/4Fe.4S;
    LJBDFODJNLIPKO-UHFFFAOYSA-N    		 [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45;
    S1[Fe]S[Fe]1.S2[Fe]S[Fe]2    		 IRON/SULFUR CLUSTER
    36795 SF5
    ZINC000584905672    		 1 C18 H23 N3 O5 InChI=1S/C18H23N3O5/c1-3-
    4-5-14(11-16(22)20-24)17-
    19-15(21-26-17)10-12-6-8-
    13(9-7-12)18(23)25-2/h6-9
    ,14,24H,3-5,10-11H2,1-2H3
    ,(H,20,22)/t14-/m1/s1;
    PKBQPXFVXNPVJM-CQSZACIVSA-N    		 CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C
    (=O)OC; CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(
    cc2)C(=O)OC)n1; CCCC[CH](CC(=O)NO)c1onc(
    Cc2ccc(cc2)C(=O)OC)n1; CCCCC(CC(=O)NO)c1
    nc(no1)Cc2ccc(cc2)C(=O)OC; N(C(CC(c1onc(
    n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O    		 methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate
    36796 SF6 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5-,6
    +/m0/s1;
    RFSUNEUAIZKAJO-OMMKOOBNSA-N    		 C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)
    O; OC1C(O)C(OC1(O)CO)CO; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1
    O    		 alpha-L-psicofuranose;
    alpha-L-psicose;
    L-psicose;
    psicose
    36797 SF7
    ZINC000203341391    		 1 C16 H20 F N3 O3 InChI=1S/C16H20FN3O3/c1-2
    -3-4-12(10-15(21)19-22)16
    -18-14(20-23-16)9-11-5-7-
    13(17)8-6-11/h5-8,12,22H,
    2-4,9-10H2,1H3,(H,19,21)/
    t12-/m1/s1;
    NPHICFLHFQUZKX-GFCCVEGCSA-N    		 CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
    ; CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(F)cc2)
    n1; CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
    ; O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO;
    CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1    		 (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide
    36798 SF8
    ZINC000014714803    		 3 C17 H24 N2 O14 InChI=1S/C17H24N2O14/c20-
    9(4-16(32,14(28)29)6-11(2
    2)23)18-3-1-2-8(13(26)27)
    19-10(21)5-17(33,15(30)31
    )7-12(24)25/h8,32-33H,1-7
    H2,(H,18,20)(H,19,21)(H,2
    2,23)(H,24,25)(H,26,27)(H
    ,28,29)(H,30,31)/t8-,16+,
    17-/m1/s1;
    VJSIXUQLTJCRCS-DFQXCPINSA-N    		 C(CC(C(=O)O)NC(=O)CC(CC(=O)O)(C(=O)O)O)C
    NC(=O)CC(CC(=O)O)(C(=O)O)O; OC(=O)C[C@@]
    (O)(CC(=O)NCCC[C@@H](NC(=O)C[C@@](O)(CC(
    O)=O)C(O)=O)C(O)=O)C(O)=O; C(C[C@H](C(=O
    )O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O
    )C[C@](CC(=O)O)(C(=O)O)O; OC(=O)C[C](O)(
    CC(=O)NCCC[CH](NC(=O)C[C](O)(CC(O)=O)C(O
    )=O)C(O)=O)C(O)=O    		 (2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid;
    Staphyloferrin A
    36799 SF9 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5-,6
    -/m0/s1;
    RFSUNEUAIZKAJO-BXKVDMCESA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@H]1[C@@H]([C@
    @H]([C@@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)
    (CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)
    O)O; OC[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@H
    ]1O    		 beta-L-psicofuranose;
    beta-L-psicose;
    L-psicose;
    psicose
    36800 SFA
    CHEMBL410807
    DB03393    		 3 C60 H91 N5 O13 InChI=1S/C60H91N5O13/c1-1
    1-43-30-37(6)60(63-55(43)
    72)41(10)53(70)40(9)51(78
    -60)33-49(69)35(4)20-14-1
    2-15-21-36(5)50-26-17-13-
    16-25-48(68)39(8)54(71)45
    (28-27-38(7)66)56(73)62-5
    2(34(2)3)57(74)61-47(32-4
    2-22-18-23-44(67)31-42)58
    (75)65-29-19-24-46(64-65)
    59(76)77-50/h12-13,15-18,
    21-23,25,31,34-35,37,39-4
    1,43,45-54,64,67-71H,11,1
    4,19-20,24,26-30,32-33H2,
    1-10H3,(H,61,74)(H,62,73)
    (H,63,72)/b15-12+,17-13+,
    25-16+,36-21+/t35-,37-,39
    -,40-,41-,43-,45+,46-,47-
    ,48-,49-,50-,51-,52-,53-,
    54+,60+/m0/s1;
    ONJZYZYZIKTIEG-CFBQITSMSA-N    		 O=C3N5NC(C(=O)OC(C(=C\C=C\CCC(C)C(O)CC2O
    C1(NC(=O)C(CC1C)CC)C(C)C(O)C2C)\C)CC=CC=
    CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC3Cc4cccc(O
    )c4)C(C)C)CCC(=O)C)CCC5; CCC1CC(C2(C(C(C
    (C(O2)CC(C(C)CCC=CC=C(C)C3CC=CC=CC(C(C(C
    (C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O3)
    Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)
    C)NC1=O)C; CC[CH]1C[CH](C)[C]2(NC1=O)O[C
    H](C[CH](O)[CH](C)CCC=CC=C(C)[CH]3CC=CC=
    C[CH](O)[CH](C)[CH](O)[CH](CCC(C)=O)C(=O
    )N[CH](C(C)C)C(=O)N[CH](Cc4cccc(O)c4)C(=
    O)N5CCC[CH](N5)C(=O)O3)[CH](C)[CH](O)[CH
    ]2C; CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@
    H](C[C@H](O)[C@@H](C)CC\C=C\C=C(/C)[C@@H
    ]3C\C=C\C=C\[C@H](O)[C@H](C)[C@@H](O)[C@
    @H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C
    @@H](Cc4cccc(O)c4)C(=O)N5CCC[C@H](N5)C(=
    O)O3)[C@H](C)[C@H](O)[C@@H]2C; CC[C@H]1C
    [C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O
    2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]
    3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=
    O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)
    C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)
    O)O)C)O)C)NC1=O)C    		 SANGLIFEHRIN A;
    (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ETHYL-4-HYDROXY-3,5,11-TRIMETHYL- 8-OXO-1-OXA-7-AZASPIRO[5.5]UNDEC-2-YL]-8-HYDROXY-1,7-DIMETHYLNONA-1,3-DIENYL}-10,12-DIHYDROXY-3-(3-HYDROXYBENZYL)-6-ISOP ROPYL-11-METHYL-9-(3-OXOBUTYL)-19-OXA-1,4,7,25-TETRAAZABICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRONE
    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