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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    36201 SN6
    CHEMBL287331
    ZINC000029230697    		 0 C29 H27 N5 O InChI=1S/C29H25N5O/c1-33-
    18-15-25(16-19-33)30-22-1
    1-13-24(14-12-22)32-29(35
    )21-7-9-23(10-8-21)31-27-
    17-20-34(2)28-6-4-3-5-26(
    27)28/h3-20H,1-2H3,(H,32,
    35)/p+2;
    PMCURUPNDHFYCG-UHFFFAOYSA-P    		 C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3
    )Nc4cc[n+](c5c4cccc5)C; O=C(Nc2ccc(Nc1cc
    [n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n
    +](cc5)C; C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N
    c4cc[n+](C)c5ccccc45)cc3)cc2)cc1    		 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM;
    SN6999
    36202 SN7
    CHEMBL1235984
    ZINC000001704486    		 0 C29 H29 N7 O InChI=1S/C29H27N7O/c1-35-
    14-11-22(12-15-35)32-20-4
    -6-21(7-5-20)34-29(37)24-
    9-8-23(18-26(24)31)33-27-
    13-16-36(2)28-10-3-19(30)
    17-25(27)28/h3-18H,30H2,1
    -2H3,(H3,31,34,37)/p+2;
    DOZAHXWWOPAJKW-UHFFFAOYSA-P    		 C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3
    N)Nc4cc[n+](c5c4cc(cc5)N)C; C[n+]1ccc(Nc
    2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(N)cc4
    5)cc3N)cc2)cc1; O=C(Nc2ccc(Nc1cc[n+](cc1
    )C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](c
    c5)C    		 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE;
    SN7167
    36203 SN8 0 C30 H47 N5 O InChI=1S/C30H47N5O/c1-21-
    4-13-29-27(20-21)28(16-19
    -35(29)3)32-24-7-5-22(6-8
    -24)30(36)33-25-11-9-23(1
    0-12-25)31-26-14-17-34(2)
    18-15-26/h4,13,16,20,22-2
    6,31-32H,5-12,14-15,17-19
    H2,1-3H3,(H,33,36)/t22?,2
    3-,24?,25+;
    VJDMGOLLSXKCPI-DHBIPOTOSA-N    		 Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4
    CCC(CC4)NC5CCN(CC5)C; CN1CCC(CC1)N[C@@H]
    2CC[C@@H](CC2)NC(=O)[C@@H]3CC[C@H](CC3)N
    C4=CCN(C)c5ccc(C)cc45; CN1CCC(CC1)N[CH]2
    CC[CH](CC2)NC(=O)[CH]3CC[CH](CC3)NC4=CCN
    (C)c5ccc(C)cc45; O=C(NC2CCC(NC1CCN(C)CC1
    )CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5    		 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM;
    SN8315
    36204 SN9 0 C30 H47 N5 O2 InChI=1S/C30H47N5O2/c1-34
    -18-15-25(16-19-34)31-22-
    11-13-24(14-12-22)33-30(3
    6)21-7-9-23(10-8-21)32-27
    -17-20-35(2)29-26(27)5-4-
    6-28(29)37-3/h4-6,17,21-2
    5,31-32H,7-16,18-20H2,1-3
    H3,(H,33,36)/t21-,22-,23+
    ,24?;
    LXOIZJXCTNTVJO-XQINFXQGSA-N    		 COc1cccc2C(=CCN(C)c12)N[C@@H]3CC[C@@H](C
    C3)C(=O)N[C@@H]4CC[C@H](CC4)NC5CCN(C)CC5
    ; CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)
    NC4=CCN(c5c4cccc5OC)C; COc1cccc2C(=CCN(C
    )c12)N[CH]3CC[CH](CC3)C(=O)N[CH]4CC[CH](
    CC4)NC5CCN(C)CC5; O=C(NC2CCC(NC1CCN(C)CC
    1)CC2)C5CCC(NC=4c3cccc(OC)c3N(C)CC=4)CC5    		 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM;
    SN8224
    36205 SNA
    DB03557    		 1 C32 H41 F4 N5 O13 P2 S InChI=1S/C32H41F4N5O13P2S
    /c33-31(34,55(49,50)51)20
    -9-5-18(6-10-20)14-22(29(
    47)38-13-3-1-2-4-25(42)40
    -24(17-57)28(37)46)41-30(
    48)23(16-27(44)45)39-26(4
    3)15-19-7-11-21(12-8-19)3
    2(35,36)56(52,53)54/h5-12
    ,22-24,57H,1-4,13-17H2,(H
    2,37,46)(H,38,47)(H,39,43
    )(H,40,42)(H,41,48)(H,44,
    45)(H2,49,50,51)(H2,52,53
    ,54)/t22-,23?,24?/m0/s1;
    JNKZDIBIDJQPGC-BOMBAVFCSA-N    		 c1cc(ccc1CC(C(=O)NCCCCCC(=O)NC(CS)C(=O)N
    )NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F
    )P(=O)(O)O)C(F)(F)P(=O)(O)O; FC(F)(c1ccc
    (cc1)CC(=O)NC(C(=O)NC(C(=O)NCCCCCC(=O)NC
    (C(=O)N)CS)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C
    C(=O)O)P(=O)(O)O; NC(=O)C(CS)NC(=O)CCCCC
    NC(=O)[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O
    )NC(=O)[CH](CC(O)=O)NC(=O)Cc2ccc(cc2)C(F
    )(F)[P](O)(O)=O; NC(=O)C(CS)NC(=O)CCCCCN
    C(=O)[C@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O
    )NC(=O)[C@H](CC(O)=O)NC(=O)Cc2ccc(cc2)C(
    F)(F)[P](O)(O)=O; c1cc(ccc1C[C@@H](C(=O)
    NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=
    O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(
    F)(F)P(=O)(O)O    		 N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID
    36206 SNB
    CHEMBL1083185
    DB08555    		 1 C16 H13 Br Cl N O InChI=1S/C16H13BrClNO/c1-
    20-15-8-10-5-6-19-16(13(1
    0)9-14(15)18)11-3-2-4-12(
    17)7-11/h2-4,7-9H,5-6H2,1
    H3;
    IKGXHBGCVQTQBH-UHFFFAOYSA-N    		 Brc3cccc(C1=NCCc2cc(OC)c(Cl)cc12)c3; COc
    1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br; COc1cc
    2CCN=C(c3cccc(Br)c3)c2cc1Cl    		 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE
    36207 SNC
    CHEMBL300676    		 0 C3 H6 N2 O3 S InChI=1S/C3H6N2O3S/c4-2(3
    (6)7)1-9-5-8/h2H,1,4H2,(H
    ,6,7)/t2-/m0/s1;
    XOWVFANEOZMPKG-REOHCLBHSA-N    		 N[C@@H](CSN=O)C(O)=O; C(C(C(=O)O)N)SN=O;
    N[CH](CSN=O)C(O)=O; C([C@@H](C(=O)O)N)S
    N=O; O=C(O)C(N)CSN=O    		 S-NITROSO-CYSTEINE
    36208 SND
    DB03893    		 21 C21 H27 N7 O13 P2 S InChI=1S/C21H27N7O13P2S/c
    22-17-12-19(25-7-24-17)28
    (8-26-12)21-16(32)14(30)1
    1(40-21)6-38-43(35,36)41-
    42(33,34)37-5-10-13(29)15
    (31)20(39-10)27-3-1-2-9(4
    -27)18(23)44/h1-4,7-8,10-
    11,13-16,20-21,29-32H,5-6
    H2,(H5-,22,23,24,25,33,34
    ,35,36,44)/t10-,11-,13-,1
    4-,15-,16-,20-,21-/m1/s1;
    UQYPZLRUJKCREN-NNYOXOHSSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O
    )O)C(=S)N; c1cc(c[n+](c1)[C@H]2[C@@H]([C
    @@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)
    OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4n
    cnc5N)O)O)O)O)C(=S)N; NC(=S)c1ccc[n+](c1
    )[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; NC(=S)c1ccc[
    n+](c1)[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    		 THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
    36209 SNE
    ZINC000001599726    		 8 C10 H16 InChI=1S/C10H16/c1-7(2)10
    -5-4-8(3)9(10)6-10/h7,9H,
    3-6H2,1-2H3/t9-,10-/m0/s1;
    NDVASEGYNIMXJL-UWVGGRQHSA-N    		 CC(C)[C]12CCC(=C)[CH]1C2; CC(C)C12CCC(=C
    )C1C2; C=C1/CCC2(C(C)C)CC12; CC(C)[C@@]1
    2CCC(=C)[C@@H]1C2    		 Sabinene;
    (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
    36210 SNF 1 C15 H16 N4 Ni InChI=1S/C15H16N4.Ni/c1-1
    3(19-12-15-7-3-5-9-18-15)
    10-16-11-14-6-2-4-8-17-14
    ;/h2-9,11-13H,10H2,1H3;/b
    16-11+,19-12+;/t13-;/m1./
    s1;
    YWFIBUKMYHZULK-UBTITEMDSA-N    		 [Ni]|1|2|3|N(=Cc4ccccn|14)C[C@@H](C)N|2=
    Cc5ccccn|35; C[C@@H]1C[N]2=CC3=[N]([Ni]2
    4[N]1=CC5=CC=CC=[N]45)C=CC=C3; [Ni]|1|2|
    3|N(=Cc4ccccn|14)C[CH](C)N|2=Cc5ccccn|35
    ; CC1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=
    [N]45)C=CC=C3; c5n2c(C=N3CC(N4=Cc1ccccn1
    [Ni]234)C)ccc5    		 (N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt
    36211 SNG 6 C9 H17 N O5 Se InChI=1S/C9H17NO5Se/c1-4(
    12)10-6-8(14)7(13)5(3-11)
    15-9(6)16-2/h5-9,11,13-14
    H,3H2,1-2H3,(H,10,12)/t5-
    ,6-,7-,8-,9+/m1/s1;
    AZZZNYGPGINRNT-OKNNCHMLSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    [Se]C)CO)O)O; C[Se][CH]1O[CH](CO)[CH](O)
    [CH](O)[CH]1NC(C)=O; C[Se][C@@H]1O[C@H](
    CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O; CC(=O
    )NC1C(C(C(OC1[Se]C)CO)O)O; O=C(NC1C(O)C(
    O)C(OC1[Se]C)CO)C    		 methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside;
    METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE;
    methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucoside;
    methyl 2-acetamido-2-deoxy-1-seleno-D-glucoside;
    methyl 2-acetamido-2-deoxy-1-seleno-glucoside
    36212 SNH
    DB08556
    ZINC000016051918    		 2 C19 H17 N O5 S3 InChI=1S/C19H17NO5S3/c1-1
    0-4-7-17(11(2)8-10)28(24,
    25)20-13-9-16(27-18(13)19
    (22)23)15-6-5-14(26-15)12
    (3)21/h4-9,20H,1-3H3,(H,2
    2,23);
    CMHHNHDPPWDNAH-UHFFFAOYSA-N    		 CC(=O)c1sc(cc1)c2sc(C(O)=O)c(N[S](=O)(=O
    )c3ccc(C)cc3C)c2; Cc1ccc(c(c1)C)S(=O)(=O
    )Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C; O=C(O)
    c2sc(cc2NS(=O)(=O)c1ccc(cc1C)C)c3sc(C(=O
    )C)cc3    		 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID
    36213 SNI
    DB02753    		 3 C10 H12 N4 O4 Se InChI=1S/C10H12N4O4Se/c15
    -1-4-6(16)7(17)10(18-4)14
    -3-13-5-8(14)11-2-12-9(5)
    19/h2-4,6-7,10,15-17H,1H2
    ,(H,11,12,19)/t4-,6-,7-,1
    0-/m1/s1;
    MXLAAGNIPFEHEI-KQYNXXCUSA-N    		 c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=[Se];
    OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=[Se]
    )NC=Nc23; c1nc2c(n1[C@H]3[C@@H]([C@@H]([
    C@H](O3)CO)O)O)N=CNC2=[Se]; [Se]=C1c2ncn
    (c2N=CN1)C3OC(C(O)C3O)CO; OC[C@H]1O[C@H]
    ([C@H](O)[C@@H]1O)n2cnc3C(=[Se])NC=Nc23    		 9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE;
    SELENOINOSINE
    36214 SNJ
    CHEMBL223155
    ZINC000018158601    		 1 C15 H12 N2 O InChI=1S/C15H12N2O/c18-15
    -11-14(12-7-3-1-4-8-12)16
    -17(15)13-9-5-2-6-10-13/h
    1-10H,11H2;
    MZKALFCNIJHTJG-UHFFFAOYSA-N    		 O=C1CC(=NN1c2ccccc2)c3ccccc3; c1ccc(cc1)
    C2=NN(C(=O)C2)c3ccccc3    		 2,5-diphenyl-4~{H}-pyrazol-3-one
    36215 SNK 0 C8 H11 N3 O3 S InChI=1S/C8H11N3O3S/c1-4(
    12)15-7-6(10-3-11-7)2-5(9
    )8(13)14/h3,5H,2,9H2,1H3,
    (H,10,11)(H,13,14)/t5-/m1
    /s1;
    ARAQDIDMFIPYQR-RXMQYKEDSA-N    		 CC(=O)Sc1nc[nH]c1C[C@@H](N)C(O)=O; CC(=O
    )Sc1c([nH]cn1)C[C@H](C(=O)O)N; CC(=O)Sc1
    nc[nH]c1C[CH](N)C(O)=O; CC(=O)Sc1c([nH]c
    n1)CC(C(=O)O)N    		 (2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid
    36216 SNL
    CHEMBL1393
    DB00421
    ZINC000003861599    		 11 C24 H32 O4 S InChI=1S/C24H32O4S/c1-14(
    25)29-19-13-15-12-16(26)4
    -8-22(15,2)17-5-9-23(3)18
    (21(17)19)6-10-24(23)11-7
    -20(27)28-24/h12,17-19,21
    H,4-11,13H2,1-3H3/t17-,18
    -,19+,21+,22-,23-,24+/m0/
    s1;
    LXMSZDCAJNLERA-ZHYRCANASA-N    		 CC(=O)S[CH]1CC2=CC(=O)CC[C]2(C)[CH]3CC[C
    ]4(C)[CH](CC[C]45CCC(=O)O5)[CH]13; CC(=O
    )S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@
    @]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13;
    O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1
    (C)C2CC3)CC4)C)CC5; CC(=O)SC1CC2=CC(=O)C
    CC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C; CC(
    =O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@
    @H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5
    )C    		 SPIRONOLACTONE;
    17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID;
    GAMMA-LACTONE ACETATE
    36217 SNM
    ZINC000001677416    		 0 C5 H11 N O3 InChI=1S/C5H11NO3/c1-6(2)
    4(3-7)5(8)9/h4,7H,3H2,1-2
    H3,(H,8,9)/t4-/m0/s1;
    UHOZUUWRLMQQBZ-BYPYZUCNSA-N    		 CN(C)[CH](CO)C(O)=O; CN(C)[C@@H](CO)C(=O
    )O; CN(C)C(CO)C(=O)O; CN(C)[C@@H](CO)C(O
    )=O    		 N,N-dimethyl-L-serine
    36218 SNN
    DB03487
    ZINC000005134830    		 2 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c5-2-1-
    3(7)6-4(2)8/h2H,1,5H2,(H,
    6,7,8)/t2-/m0/s1;
    YDNMHDRXNOHCJH-REOHCLBHSA-N    		 C1[C@@H](C(=O)NC1=O)N; C1C(C(=O)NC1=O)N;
    N[C@H]1CC(=O)NC1=O; O=C1NC(=O)C(N)C1; N
    [CH]1CC(=O)NC1=O    		 L-3-AMINOSUCCINIMIDE
    36219 SNO
    DB04782
    ZINC000001020828    		 15 C8 H7 N O3 InChI=1S/C8H7NO3/c10-9(11
    )7-3-1-6(2-4-7)8-5-12-8/h
    1-4,8H,5H2/t8-/m1/s1;
    YKIUTLHCSNCTDZ-MRVPVSSYSA-N    		 c1cc(ccc1C2CO2)[N+](=O)[O-]; c1cc(ccc1[C
    @H]2CO2)[N+](=O)[O-]; [O-][N+](=O)c1ccc(
    cc1)[CH]2CO2; [O-][N+](=O)c1ccc(cc1)[C@H
    ]2CO2; [O-][N+](=O)c1ccc(cc1)C2OC2    		 (S)-PARA-NITROSTYRENE OXIDE;
    (2S)-2-(4-NITROPHENYL)OXIRANE
    36220 SNP
    CHEMBL452861
    ZINC000000056556    		 8 C16 H21 N O2 InChI=1S/C16H21NO2/c1-12(
    2)17-10-14(18)11-19-16-9-
    5-7-13-6-3-4-8-15(13)16/h
    3-9,12,14,17-18H,10-11H2,
    1-2H3/t14-/m0/s1;
    AQHHHDLHHXJYJD-AWEZNQCLSA-N    		 CC(C)NC[CH](O)COc1cccc2ccccc12; CC(C)NC[
    C@@H](COc1cccc2c1cccc2)O; CC(C)NC[C@H](O
    )COc1cccc2ccccc12; CC(C)NCC(COc1cccc2c1c
    ccc2)O; OC(CNC(C)C)COc2cccc1ccccc12    		 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL;
    S-PROPRANOLOL
    36221 SNQ
    CHEMBL1406326
    ZINC000000150791    		 3 C11 H9 N3 InChI=1S/C11H9N3/c12-8-9-
    7-10(13)3-4-11(9)14-5-1-2
    -6-14/h1-7H,13H2;
    VDMUMLCWGQEGDZ-UHFFFAOYSA-N    		 Nc1ccc(n2cccc2)c(c1)C#N; c1ccn(c1)c2ccc(
    cc2C#N)N    		 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
    36222 SNR
    DB02674    		 4 C9 H14 N2 O3 S InChI=1S/C9H14N2O3S/c12-7
    (13)3-1-2-6-8-5(4-15-6)10
    -9(14)11-8/h5-6,8H,1-4H2,
    (H,12,13)(H2,10,11,14)/t5
    -,6-,8-/m0/s1;
    AINAXQHKYSZESH-HAFWLYHUSA-N    		 OC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12;
    C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=
    O)N2; C1C2C(C(S1)CCCC(=O)O)NC(=O)N2; OC(
    =O)CCC[CH]1SC[CH]2NC(=O)N[CH]12; O=C1NC2
    C(SCC2N1)CCCC(=O)O    		 NORBIOTIN;
    4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
    36223 SNS
    ZINC000058633593    		 0 C27 H31 F2 N5 O2 InChI=1S/C27H31F2N5O2/c28
    -20-5-9-33(16-20)11-7-26(
    35)30-22-3-1-18-13-19-2-4
    -23(15-25(19)32-24(18)14-
    22)31-27(36)8-12-34-10-6-
    21(29)17-34/h1-4,13-15,20
    -21H,5-12,16-17H2,(H,30,3
    5)(H,31,36)/t20-,21-/m0/s
    1;
    LWWRDCOEZPEHNJ-SFTDATJTSA-N    		 F[CH]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN
    5CC[CH](F)C5)cc4nc3c2)C1; F[C@H]1CCN(CCC
    (=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[C@H](F)C5
    )cc4nc3c2)C1; c1cc(cc2c1cc3ccc(cc3n2)NC(
    =O)CCN4CCC(C4)F)NC(=O)CCN5CCC(C5)F; c1cc
    (cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H]
    (C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F; O=C(Nc
    4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)
    CCN5CCC(F)C5    		 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine;
    N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide}
    36224 SNT
    CHEMBL515916
    ZINC000019893370    		 1 C23 H27 N5 InChI=1S/C23H27N5/c1-19-2
    3(20(2)28(25-19)22-11-7-4
    -8-12-22)17-24-27-15-13-2
    6(14-16-27)18-21-9-5-3-6-
    10-21/h3-12,17H,13-16,18H
    2,1-2H3/b24-17+;
    FOORCIAZMIWALX-JJIBRWJFSA-N    		 Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4c
    cccc4; N(=C/c1c(n(nc1C)c2ccccc2)C)\N3CCN
    (CC3)Cc4ccccc4; Cc1nn(c2ccccc2)c(C)c1C=N
    N3CCN(CC3)Cc4ccccc4; Cc1c(c(n(n1)c2ccccc
    2)C)/C=N/N3CCN(CC3)Cc4ccccc4; Cc1nn(c2cc
    ccc2)c(C)c1\C=N\N3CCN(CC3)Cc4ccccc4    		 (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine;
    SANT-1
    36225 SNU
    ZINC000000159039    		 6 C10 H10 N2 InChI=1S/C10H10N2/c11-9-3
    -5-10(6-4-9)12-7-1-2-8-12
    /h1-8H,11H2;
    NHLHWHRXMZZWGA-UHFFFAOYSA-N    		 c1ccn(c1)c2ccc(cc2)N; Nc1ccc(cc1)n2cccc2
    ; c1(ccc(cc1)n2cccc2)N    		 4-(1H-pyrrol-1-yl)aniline
    36226 SNV
    ZINC000020059395    		 1 C12 H19 N3 O InChI=1S/C12H19N3O/c13-11
    -3-1-2-4-12(11)15-7-5-14(
    6-8-15)9-10-16/h1-4,16H,5
    -10,13H2;
    YZRHRBADADYIFX-UHFFFAOYSA-N    		 c1ccc(c(c1)N)N2CCN(CC2)CCO; Nc1ccccc1N2C
    CN(CCO)CC2    		 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
    36227 SNW
    ZINC000584905675    		 5 C11 H20 N2 O8 InChI=1S/C11H20N2O8/c12-7
    (15)2-1-5(10(18)19)13-4-1
    1(20)9(17)8(16)6(14)3-21-
    11/h5-6,8-9,13-14,16-17,2
    0H,1-4H2,(H2,12,15)(H,18,
    19)/t5-,6+,8+,9-,11+/m0/s
    1;
    SNIATPDKUZZXAT-VISRLPHGSA-N    		 NC(=O)CC[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@
    H](O)[C@@H]1O)C(O)=O; NC(=O)CC[CH](NC[C]
    1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O; C1[C@
    H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O
    )N)C(=O)O)O)O)O)O; C1C(C(C(C(O1)(CNC(CCC
    (=O)N)C(=O)O)O)O)O)O    		 Deoxyfructosylglutamine;
    santhopine
    36228 SNX
    CHEMBL410448
    DB08557
    ZINC000024981153    		 1 C22 H23 N3 O3 InChI=1S/C22H23N3O3/c1-28
    -12-11-24-17-13-14(9-10-1
    5(17)22(23)27)25-18-6-3-2
    -5-16(18)21-19(25)7-4-8-2
    0(21)26/h2-3,5-6,9-10,13,
    24H,4,7-8,11-12H2,1H3,(H2
    ,23,27);
    XQKFKSJUBJPOLY-UHFFFAOYSA-N    		 COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4
    =O; COCCNc1cc(ccc1C(N)=O)n2c3CCCC(=O)c3c
    4ccccc24; O=C(N)c1ccc(cc1NCCOC)n3c4c(c2C
    (=O)CCCc23)cccc4    		 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide
    36229 SNY
    CHEMBL225067
    ZINC000001530242    		 4 C11 H12 O4 InChI=1S/C11H12O4/c1-14-9
    -6-8(4-3-5-12)7-10(15-2)1
    1(9)13/h3-7,13H,1-2H3/b4-
    3+;
    CDICDSOGTRCHMG-ONEGZZNKSA-N    		 COc1cc(cc(c1O)OC)C=CC=O; COc1cc(cc(c1O)O
    C)/C=C/C=O; O=C\C=C\c1cc(OC)c(O)c(OC)c1;
    COc1cc(\C=C\C=O)cc(OC)c1O; COc1cc(C=CC=
    O)cc(OC)c1O    		 (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal;
    Sinapaldehyde
    36230 SNZ 4 C15 H16 N2 O5 InChI=1S/C15H16N2O5/c18-1
    1-3-1-9(7-13(11)20)5-6-16
    -15(22)17-10-2-4-12(19)14
    (21)8-10/h1-4,7-8,18-21H,
    5-6H2,(H2,16,17,22);
    XPAUTCCLOUPUGJ-UHFFFAOYSA-N    		 N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O;
    Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O; c1
    cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O    		 N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea
    36231 SO0 1 C23 H29 Cl2 N3 O5 InChI=1S/C23H29Cl2N3O5/c2
    4-15-4-5-19(18(25)9-15)33
    -12-20(30)28-10-14-2-1-3-
    17(14)21(28)23(32)27-16(1
    1-29)8-13-6-7-26-22(13)31
    /h4-5,9,13-14,16-17,21,29
    H,1-3,6-8,10-12H2,(H,26,3
    1)(H,27,32)/t13-,14-,16-,
    17-,21-/m0/s1;
    WFNOKGZUZOGKBO-ZEAPZOAHSA-N    		 c1cc(c(cc1Cl)Cl)OCC(=O)N2C[C@@H]3CCC[C@@
    H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO
    ; c1cc(c(cc1Cl)Cl)OCC(=O)N2CC3CCCC3C2C(=
    O)NC(CC4CCNC4=O)CO; OC[C@H](C[C@@H]1CCNC
    1=O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)
    COc4ccc(Cl)cc4Cl; OC[CH](C[CH]1CCNC1=O)N
    C(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)COc4ccc(C
    l)cc4Cl; O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2C
    N1C(=O)COc1ccc(Cl)cc1Cl    		 (1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
    36232 SO1 18 C27 H42 O8 InChI=1S/C27H42O8/c1-13(2
    )19-8-16-9-25(11-28)18-7-
    6-14(3)17(18)10-26(16,27(
    19,25)24(31)32)12-34-23-2
    1(30)20(29)22(33-5)15(4)3
    5-23/h11,13-23,29-30H,6-1
    0,12H2,1-5H3,(H,31,32)/t1
    4-,15-,16+,17-,18-,19?,20
    +,21+,22-,23-,25+,26+,27+
    /m1/s1;
    DIBGPTPYRVEPSP-OHFCZZTFSA-N    		 CC1CCC2C1CC3(C4CC(C3(C2(C4)C=O)C(=O)O)C(
    C)C)COC5C(C(C(C(O5)C)OC)O)O; CO[C@@H]1[C
    @@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)
    CC[C@H]4[C@]5(C[C@@H]2C[C@H](C(C)C)[C@@]
    35C(O)=O)C=O)[C@@H](O)[C@@H]1O; CO[CH]1[
    CH](C)O[CH](OC[C]23C[CH]4[CH](C)CC[CH]4[
    C]5(C[CH]2C[CH](C(C)C)[C]35C(O)=O)C=O)[C
    H](O)[CH]1O; O=C(O)C53C4(COC1OC(C(OC)C(O
    )C1O)C)CC2C(C)CCC2C3(C=O)CC4CC5C(C)C; C[
    C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([
    C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]
    5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O    		 [1R-(1.ALPHA.,3A.BETA.,4.BETA.,4A.BETA.,7.BETA.,7A.ALPHA.,8A.BETA.)]8A-[(6-DEOXY-4-O-METHYL-BETA-D-ALTROPYRANOSYLOXY)METHYL]-4-FORMYL-4,4A,5,6,7,7A,8,8A-OCTAHYDRO-7-METHYL-3-(1-METHYLETHYL)-1,4-METHANO-S-INDACENE-3A(1H)-CARBOXYLIC ACID;
    SORDARIN
    36233 SO2
    CHEMBL1235997
    DB16426    		 1 O2 S InChI=1S/O2S/c1-3-2;
    RAHZWNYVWXNFOC-UHFFFAOYSA-N    		 O=[S]=O; O=S=O SULFUR DIOXIDE
    36234 SO3 202 O3 S InChI=1S/H2O3S/c1-4(2)3/h
    (H2,1,2,3)/p-2;
    LSNNMFCWUKXFEE-UHFFFAOYSA-L    		 [O-][S]([O-])=O; [O-]S(=O)[O-]; [O-]S([O
    -])=O    		 SULFITE ION
    36235 SO4
    DB14546    		 1868 O4 S InChI=1S/H2O4S/c1-5(2,3)4
    /h(H2,1,2,3,4)/p-2;
    QAOWNCQODCNURD-UHFFFAOYSA-L    		 [O-]S(=O)(=O)[O-]; [O-][S]([O-])(=O)=O;
    [O-]S([O-])(=O)=O    		 SULFATE ION
    36236 SO5 7 C24 H40 N7 O21 P3 S InChI=1S/C24H40N7O21P3S/c
    1-12(56(44,45)46)23(36)47
    -7-6-26-14(32)4-5-27-21(3
    5)18(34)24(2,3)9-49-55(42
    ,43)52-54(40,41)48-8-13-1
    7(51-53(37,38)39)16(33)22
    (50-13)31-11-30-15-19(25)
    28-10-29-20(15)31/h10-13,
    16-18,22,33-34H,4-9H2,1-3
    H3,(H,26,32)(H,27,35)(H,4
    0,41)(H,42,43)(H2,25,28,2
    9)(H2,37,38,39)(H,44,45,4
    6)/t12-,13-,16-,17-,18+,2
    2-/m1/s1;
    BEMUOEZGNHFKKE-AGCMQPJKSA-N    		 C[CH](C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(
    C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([C
    H](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)
    [S](O)(=O)=O; O=S(=O)(O)C(C)C(=O)OCCNC(C
    CNC(=O)C(C(C)(COP(O)(=O)OP(O)(=O)OCC3OC(
    n1cnc2c1ncnc2N)C(C3OP(O)(O)=O)O)C)O)=O;
    C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@H](O)C(C
    )(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)[S](O)(=O)=O; C[C@H](C(=O)OCCNC(=
    O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)
    (O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3
    c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O; CC(C
    (=O)OCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)
    OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
    P(=O)(O)O)O)S(=O)(=O)O    		 (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
    36237 SO7
    ZINC000074122542    		 1 C14 H18 N2 O4 InChI=1S/C14H18N2O4/c1-15
    (20-3)14(18)10-8-13(17)16
    (9-10)11-4-6-12(19-2)7-5-
    11/h4-7,10H,8-9H2,1-3H3/t
    10-/m0/s1;
    VWFLYBRQMJSRBM-JTQLQIEISA-N    		 CN(C(=O)C1CC(=O)N(C1)c2ccc(cc2)OC)OC; CO
    N(C)C(=O)[C@@H]1CN(C(=O)C1)c2ccc(OC)cc2;
    CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)O
    C; CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)c
    c2    		 (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
    36238 SO8
    ZINC000584905669    		 1 C16 H25 N7 O4 InChI=1S/C16H25N7O4/c1-3-
    7(2)9(17)15(26)22-10-12(2
    5)8(4-24)27-16(10)23-6-21
    -11-13(18)19-5-20-14(11)2
    3/h5-10,12,16,24-25H,3-4,
    17H2,1-2H3,(H,22,26)(H2,1
    8,19,20)/t7-,8+,9-,10+,12
    +,16+/m0/s1;
    GWYBWPBDPROZEC-DTKXOMKJSA-N    		 CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@
    H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N; CCC(C)C
    (C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N; C
    C[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H](O)[C
    @@H](CO)O[C@H]1n2cnc3c(N)ncnc23; CC[CH](
    C)[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]
    1n2cnc3c(N)ncnc23    		 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE
    36239 SO9
    CHEMBL5185144    		 2 C25 H26 N6 O2 S InChI=1S/C25H26N6O2S/c26-
    22(32)19-14-6-7-15(12-14)
    20(19)29-23-21-18(8-11-34
    -21)28-25(30-23)27-17-5-3
    -4-16(13-17)24(33)31-9-1-
    2-10-31/h3-8,11,13-15,19-
    20H,1-2,9-10,12H2,(H2,26,
    32)(H2,27,28,29,30)/t14-,
    15+,19+,20-/m1/s1;
    ALXDIYXXVBXYGK-VVVONTASSA-N    		 c1cc(cc(c1)Nc2nc3ccsc3c(n2)N[C@@H]4[C@@H
    ]5C[C@H]([C@@H]4C(=O)N)C=C5)C(=O)N6CCCC6
    ; NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc
    3nc(Nc4cccc(c4)C(=O)N5CCCC5)nc6ccsc36; c
    1cc(cc(c1)Nc2nc3ccsc3c(n2)NC4C5CC(C4C(=O
    )N)C=C5)C(=O)N6CCCC6; NC(=O)[CH]1[CH]2C[
    CH](C=C2)[CH]1Nc3nc(Nc4cccc(c4)C(=O)N5CC
    CC5)nc6ccsc36; NC(=O)C1C2C=CC(C2)C1Nc1nc
    (nc2ccsc12)Nc1cc(ccc1)C(=O)N1CCCC1    		 (1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide
    36240 SOA
    CHEMBL1235999
    DB03058
    ZINC000000331680    		 1 C7 H9 N O InChI=1S/C7H9NO/c8-7-4-2-
    1-3-6(7)5-9/h1-4,9H,5,8H2;
    VYFOAVADNIHPTR-UHFFFAOYSA-N    		 c1ccc(c(c1)CO)N; OCc1ccccc1N; Nc1ccccc1C
    O    		 ISATOIC ANHYDRIDE
    36241 SOC 0 C3 H7 N O4 Se InChI=1S/C3H7NO4Se/c4-2(3
    (5)6)1-9(7)8/h2,9H,1,4H2,
    (H,5,6)/t2-/m0/s1;
    LQMXQNUAKTVFAG-REOHCLBHSA-N    		 C([C@@H](C(=O)O)N)[SeH](=O)=O; N[CH](C[S
    eH](=O)=O)C(O)=O; N[C@@H](C[SeH](=O)=O)C
    (O)=O; O=C(O)C(N)C[SeH](=O)=O; C(C(C(=O)
    O)N)[SeH](=O)=O    		 DIOXYSELENOCYSTEINE
    36242 SOD
    ZINC000066120271    		 1 C29 H39 Cl O6 InChI=1S/C29H39ClO6/c1-14
    (2)21-6-18-9-27(12-31)22-
    8-23(30)16(4)20(22)10-28(
    18,29(21,27)26(32)33)13-3
    5-24-7-19-15(3)11-34-25(1
    9)17(5)36-24/h6,12,14,16-
    20,22-25H,3,7-11,13H2,1-2
    ,4-5H3,(H,32,33)/t16-,17+
    ,18-,19-,20+,22+,23+,24+,
    25+,27-,28-,29-/m0/s1;
    OFLZRRPTCKISFB-SHWNUAPTSA-N    		 CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4C[C@@H]
    (Cl)[C@@H](C)[C@H]4C[C@@]2(CO[C@H]5C[C@@
    H]6[C@H](OCC6=C)[C@@H](C)O5)[C@]13C(O)=O
    ; CC(C)C1=C[CH]2C[C]3(C=O)[CH]4C[CH](Cl)
    [CH](C)[CH]4C[C]2(CO[CH]5C[CH]6[CH](OCC6
    =C)[CH](C)O5)[C]13C(O)=O; CC1C(CC2C1CC3(
    C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5CC6C
    (C(O5)C)OCC6=C)Cl; C[C@@H]1[C@@H](C[C@@H
    ]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=
    C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@
    H]([C@H](O5)C)OCC6=C)Cl; ClC6CC2C(CC3(C1
    C=C(C(C)C)C3(C(=O)O)C2(C=O)C1)COC5OC(C4O
    C/C(=C)C4C5)C)C6C
    36243 SOE
    ZINC000003861737    		 17 C6 H12 O6 InChI=1S/C6H12O6/c7-2-6(1
    1)5(10)4(9)3(8)1-12-6/h3-
    5,7-11H,1-2H2/t3-,4+,5-,6
    +/m0/s1;
    LKDRXBCSQODPBY-BGPJRJDNSA-N    		 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O; OC1C(O)
    (OCC(O)C1O)CO; OC[C@@]1(O)OC[C@H](O)[C@@
    H](O)[C@@H]1O; C1C(C(C(C(O1)(CO)O)O)O)O;
    C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O
    )O    		 alpha-L-sorbopyranose;
    alpha-L-sorbose;
    L-sorbose;
    sorbose;
    L-sorbose in pyranose form
    36244 SOF
    CHEMBL3965046
    ZINC000019885504    		 2 C25 H33 N3 O2 InChI=1S/C25H33N3O2/c1-2-
    26-16-18-27(19-17-26)23-1
    2-14-28(15-13-23)25(29)20
    -30-24-10-8-22(9-11-24)21
    -6-4-3-5-7-21/h3-11,23H,2
    ,12-20H2,1H3;
    BODMOCLWYAYDCG-UHFFFAOYSA-N    		 CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c
    4ccccc4    		 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
    36245 SOG
    DB08558
    ZINC000006845558    		 0 C14 H28 O5 S InChI=1S/C14H28O5S/c1-2-3
    -4-5-6-7-8-20-14-13(18)12
    (17)11(16)10(9-15)19-14/h
    10-18H,2-9H2,1H3/t10-,11-
    ,12+,13-,14+/m1/s1;
    CGVLVOOFCGWBCS-RGDJUOJXSA-N    		 CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H]
    (O)[C@H]1O; CCCCCCCCSC1C(C(C(C(O1)CO)O)O
    )O; CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([
    C@H](O1)CO)O)O)O; S(CCCCCCCC)C1OC(C(O)C(
    O)C1O)CO; CCCCCCCCS[CH]1O[CH](CO)[CH](O)
    [CH](O)[CH]1O    		 octyl 1-thio-beta-D-glucopyranoside;
    2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
    1-S-OCTYL-BETA-D-THIOGLUCOSIDE;
    octyl 1-thio-beta-D-glucoside;
    octyl 1-thio-D-glucoside;
    octyl 1-thio-glucoside
    36246 SOH 0 H O4 S InChI=1S/H2O4S/c1-5(2,3)4
    /h(H2,1,2,3,4)/p-1;
    QAOWNCQODCNURD-UHFFFAOYSA-M    		 [O-]S(=O)(=O)O; OS(=O)(=O)[O-]; O[S]([O-
    ])(=O)=O    		 HYDROGEN SULFATE;
    HYDROSULFATE ION
    36247 SOI 1 C23 H23 Cl N4 O2 S InChI=1S/C23H23ClN4O2S/c2
    4-17-4-6-19(7-5-17)30-23(
    8-10-27-11-9-23)22(29)28-
    18-3-1-2-15(12-18)16-13-2
    0(21(25)26)31-14-16/h1-7,
    12-14,27H,8-11H2,(H3,25,2
    6)(H,28,29);
    CWBWQQLFHVBCFD-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)C2(CCNCC2)Oc3ccc(cc3)Cl
    )c4cc(sc4)C(=N)N; [H]/N=C(/c1cc(cs1)c2cc
    cc(c2)NC(=O)C3(CCNCC3)Oc4ccc(cc4)Cl)\N;
    NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Oc
    4ccc(Cl)cc4)c2    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide
    36248 SOJ
    CHEMBL572203
    ZINC000000136186    		 1 C12 H12 N2 InChI=1S/C12H12N2/c13-10-
    6-8-12(9-7-10)14-11-4-2-1
    -3-5-11/h1-9,14H,13H2;
    ATGUVEKSASEFFO-UHFFFAOYSA-N    		 Nc1ccc(Nc2ccccc2)cc1; c1ccc(cc1)Nc2ccc(c
    c2)N    		 ~{N}4-phenylbenzene-1,4-diamine
    36249 SOK 1 C16 H15 Cl N2 O InChI=1S/C16H15ClN2O/c1-9
    -15-11(4-2-3-5-14(15)20)1
    6(19-9)12-8-10(18)6-7-13(
    12)17/h2-3,6-8,19H,4-5,18
    H2,1H3;
    NHRQHOMIYFOZIR-UHFFFAOYSA-N    		 Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl;
    Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O    		 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one
    36250 SOL
    CHEMBL1615232
    ZINC000090225648    		 9 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+/
    m0/s1;
    BJHIKXHVCXFQLS-OTWZMJIISA-N    		 OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO; 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    		 L-sorbose
    36251 SOM 0 C H5 O2 P InChI=1/CH5O2P/c1-4(2)3/h
    4H,1H3,(H,2,3)/f/h2H;
    BCDIWLCKOCHCIH-QEZKKOIZCI    		 O=P(O)C; C[PH](O)=O; C[P@@H](O)=O; CP(=O
    )O; C[P@H](=O)O    		 METHYL PHOSPHINIC ACID
    36252 SON
    CHEMBL1236003
    DB02607
    ZINC000016051493    		 1 C12 H16 N5 O8 P InChI=1S/C12H16N5O8P/c13-
    10-7-11(15-3-14-10)17(4-1
    6-7)12-9(20)8(19)5(25-12)
    1-24-6(18)2-26(21,22)23/h
    3-5,8-9,12,19-20H,1-2H2,(
    H2,13,14,15)(H2,21,22,23)
    /t5-,8-,9-,12-/m1/s1;
    KJNLSEOJEFDELT-JJNLEZRASA-N    		 O=P(O)(O)CC(=O)OCC3OC(n2cnc1c(ncnc12)N)C
    (O)C3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COC
    (=O)CP(=O)(O)O)O)O)N; c1nc(c2c(n1)n(cn2)
    [C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=
    O)(O)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH]
    (COC(=O)C[P](O)(O)=O)[CH](O)[CH]3O; Nc1n
    cnc2n(cnc12)[C@@H]3O[C@H](COC(=O)C[P](O)
    (O)=O)[C@@H](O)[C@H]3O    		 ADENOSINE PHOSPHONOACETIC ACID
    36253 SOO
    ZINC000058651304    		 1 C19 H35 N2 O8 P S InChI=1S/C19H35N2O8PS/c1-
    4-5-6-7-8-9-16(23)31-13-1
    2-20-15(22)10-11-21-18(25
    )17(24)19(2,3)14-29-30(26
    ,27)28/h8-9,17,24H,4-7,10
    -14H2,1-3H3,(H,20,22)(H,2
    1,25)(H2,26,27,28)/b9-8+/
    t17-/m1/s1;
    OTEZXIWUZIHTBI-KBOKABMXSA-N    		 CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C
    )(C)CO[P](O)(O)=O; CCCCCC=CC(=O)SCCNC(=O
    )CCNC(=O)C(C(C)(C)COP(=O)(O)O)O; CCCCC/C
    =C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO
    P(=O)(O)O)O; CCCCC/C=C/C(=O)SCCNC(=O)CCN
    C(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; O=C(
    SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)
    /C=C/CCCCC    		 S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate
    36254 SOP
    ZINC000085534446    		 7 C24 H40 N7 O17 P3 S InChI=1S/C24H40N7O17P3S/c
    1-13(32)9-52-7-6-26-15(33
    )4-5-27-22(36)19(35)24(2,
    3)10-45-51(42,43)48-50(40
    ,41)44-8-14-18(47-49(37,3
    8)39)17(34)23(46-14)31-12
    -30-16-20(25)28-11-29-21(
    16)31/h11-12,14,17-19,23,
    34-35H,4-10H2,1-3H3,(H,26
    ,33)(H,27,36)(H,40,41)(H,
    42,43)(H2,25,28,29)(H2,37
    ,38,39)/t14-,17-,18-,19+,
    23-/m1/s1;
    GAMKENBUYYJLCQ-NDZSKPAWSA-N    		 CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O; CC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)CO
    P(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2nc
    nc3N)O)OP(=O)(O)O)O; CC(=O)CSCCNC(=O)CCN
    C(=O)[C@H](O)C(C)(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; O=C(C)CSCCNC
    (=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(
    O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O
    )O; CC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(
    C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([C
    H](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23    		 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN DIPHOSPHATE;
    S-(2-OXOPROPYL)-COENZYME A
    36255 SOQ
    ZINC000001733908    		 0 C5 H9 N O4 InChI=1S/C5H9NO4/c1-6-3(5
    (9)10)2-4(7)8/h3,6H,2H2,1
    H3,(H,7,8)(H,9,10)/t3-/m0
    /s1;
    HOKKHZGPKSLGJE-VKHMYHEASA-N    		 CN[C@@H](CC(=O)O)C(=O)O; CNC(CC(=O)O)C(=
    O)O; CN[CH](CC(O)=O)C(O)=O; CN[C@@H](CC(
    O)=O)C(O)=O    		 N-methyl-L-aspartic acid
    36256 SOR
    CHEMBL1682
    DB01638
    ZINC000018279893    		 60 C6 H14 O6 InChI=1S/C6H14O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3-12
    H,1-2H2/t3-,4+,5-,6-/m1/s
    1;
    FBPFZTCFMRRESA-JGWLITMVSA-N    		 C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)
    O; OC[CH](O)[CH](O)[CH](O)[CH](O)CO; OC(
    C(O)CO)C(O)C(O)CO; OC[C@H](O)[C@@H](O)[C
    @H](O)[C@H](O)CO; C(C(C(C(C(CO)O)O)O)O)O    		 sorbitol;
    D-sorbitol;
    D-glucitol
    36257 SOS
    ZINC000058655519    		 0 C18 H24 N5 O7 P InChI=1S/C18H24N5O7P/c19-
    18-21-16(20-13-6-12(14(25
    )7-13)9-30-31(27,28)29)15
    (17(26)22-18)23(10-24)8-1
    1-4-2-1-3-5-11/h1-5,10,12
    -14,25H,6-9H2,(H2,27,28,2
    9)(H4,19,20,21,22,26)/t12
    -,13-,14+/m1/s1;
    ULUAJGLRYKCHQG-MCIONIFRSA-N    		 c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H
    ]3C[C@@H]([C@H](C3)O)COP(=O)(O)O; NC1=NC
    (=C(N(Cc2ccccc2)C=O)C(=O)N1)N[CH]3C[CH](
    O)[CH](CO[P](O)(O)=O)C3; NC1=NC(=C(N(Cc2
    ccccc2)C=O)C(=O)N1)N[C@H]3C[C@H](O)[C@@H
    ](CO[P](O)(O)=O)C3; c1ccc(cc1)CN(C=O)C2=
    C(N=C(NC2=O)N)NC3CC(C(C3)O)COP(=O)(O)O;
    O=C2C(N(C=O)Cc1ccccc1)=C(N=C(N)N2)NC3CC(
    COP(=O)(O)O)C(O)C3    		 [(1R,2S,4R)-4-({2-AMINO-5-[BENZYL(FORMYL)AMINO]-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL}AMINO)-2-HYDROXYCYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
    36258 SOT
    ZINC000003164866    		 3 C4 H9 N O4 S InChI=1S/C4H9NO4S/c6-10(7
    ,8)5-1-3-9-4-2-5/h1-4H2,(
    H,6,7,8);
    GLGNSAPAWZUDRT-UHFFFAOYSA-N    		 O[S](=O)(=O)N1CCOCC1; C1COCCN1S(=O)(=O)O
    ; O=S(=O)(O)N1CCOCC1    		 morpholine-4-sulfonic acid
    36259 SOU 1 C12 H20 O2 InChI=1S/C12H20O2/c1-10(2
    )6-5-7-11(3)8-9-14-12(4)1
    3/h6,8H,5,7,9H2,1-4H3/b11
    -8+;
    HIGQPQRQIQDZMP-DHZHZOJOSA-N    		 CC(=O)OC\C=C(/C)CCC=C(C)C; CC(=CCCC(=CCO
    C(=O)C)C)C; CC(=CCC/C(=C/COC(=O)C)/C)C;
    CC(=O)OCC=C(C)CCC=C(C)C    		 [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate
    36260 SOV 1 C12 H8 N2 O2 InChI=1S/C12H8N2O2/c1-8-2
    -3-10(6-9(8)7-13)14-11(15
    )4-5-12(14)16/h2-6H,1H3;
    USWFOGGKPGXVBB-UHFFFAOYSA-N    		 Cc1ccc(cc1C#N)N2C(=O)C=CC2=O 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
    36261 SOW 0 C4 H8 N2 O3 InChI=1S/C4H8N2O3/c5-3(7)
    1-6-2-4(8)9/h6H,1-2H2,(H2
    ,5,7)(H,8,9);
    AWEZYTUWDZADKR-UHFFFAOYSA-N    		 NC(=O)CNCC(=O)O; C(C(=O)N)NCC(=O)O; NC(=
    O)CNCC(O)=O    		 [(2-amino-2-oxoethyl)amino]acetic acid
    36262 SOX
    DB08559    		 3 C16 H20 N2 O5 S InChI=1S/C16H20N2O5S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)24(16)23)17-10(1
    9)8-9-6-4-3-5-7-9/h3-7,11
    -12,14,23-24H,8H2,1-2H3,(
    H,17,19)(H,21,22)/t11-,12
    +,14-/m1/s1;
    WMPGEOZLAYOFHH-MBNYWOFBSA-N    		 CC1(C(N2C(S1O)C(C2=O)NC(=O)Cc3ccccc3)C(=
    O)O)C; O=C2N1C(C(=O)O)C(C)(C)S(O)C1C2NC(
    =O)Cc3ccccc3; CC1([C@@H](N2[C@H]([S@H]1O
    )[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C; C
    C1(C)[CH](N2[CH]([CH](NC(=O)Cc3ccccc3)C2
    =O)[SH]1O)C(O)=O; CC1(C)[C@@H](N2[C@@H](
    [C@H](NC(=O)Cc3ccccc3)C2=O)[SH]1O)C(O)=O    		 N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE;
    OXIDISED PENICILLIN G
    36263 SOY 0 C22 H26 N4 O8 S InChI=1S/C22H26N4O8S/c1-1
    0-13(14(26-34-10)11-7-5-4
    -6-8-11)17(27)24-15(21(32
    )33-9-12(23)19(28)29)18-2
    5-16(20(30)31)22(2,3)35-1
    8/h4-8,12,15-16,18,25H,9,
    23H2,1-3H3,(H,24,27)(H,28
    ,29)(H,30,31)/t12-,15-,16
    -,18+/m0/s1;
    LOAYLVQZXPKDED-VYSRMENRSA-N    		 Cc1c(c(no1)c2ccccc2)C(=O)NC(C3NC(C(S3)(C
    )C)C(=O)O)C(=O)OCC(C(=O)O)N; Cc1onc(c2cc
    ccc2)c1C(=O)N[C@@H]([C@@H]3N[C@@H](C(O)=
    O)C(C)(C)S3)C(=O)OC[C@H](N)C(O)=O; Cc1on
    c(c2ccccc2)c1C(=O)N[CH]([CH]3N[CH](C(O)=
    O)C(C)(C)S3)C(=O)OC[CH](N)C(O)=O; Cc1c(c
    (no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H]
    (C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N
    ; O=C(NC(C(=O)OCC(C(=O)O)N)C1SC(C(N1)C(=
    O)O)(C)C)c3c(onc3c2ccccc2)C    		 OXACILLIN-ACYLATED SERINE
    36264 SOZ
    CHEMBL4594353
    DB18080    		 1 C19 H13 F5 N6 InChI=1S/C19H13F5N6/c1-9-
    26-13-7-4-11(20)8-14(13)3
    0(9)18-28-16(25)15(21)17(
    29-18)27-12-5-2-10(3-6-12
    )19(22,23)24/h2-8H,1H3,(H
    3,25,27,28,29);
    TWLWOOPCEXYVBE-UHFFFAOYSA-N    		 Cc1nc2ccc(F)cc2n1c3nc(N)c(F)c(Nc4ccc(cc4
    )C(F)(F)F)n3; Cc1nc2ccc(cc2n1c3nc(c(c(n3
    )Nc4ccc(cc4)C(F)(F)F)F)N)F    		 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
    36265 SP0
    CHEMBL378160
    DB08560
    ZINC000001047087    		 1 C19 H13 F2 N3 O2 S2 InChI=1S/C19H13F2N3O2S2/c
    20-13-6-8-15(9-7-13)24-19
    (12-17(22-24)18-5-2-10-27
    -18)23-28(25,26)16-4-1-3-
    14(21)11-16/h1-12,23H;
    GULUFDCOGAXLEP-UHFFFAOYSA-N    		 Fc1ccc(cc1)n2nc(cc2N[S](=O)(=O)c3cccc(F)
    c3)c4sccc4; c1cc(cc(c1)S(=O)(=O)Nc2cc(nn
    2c3ccc(cc3)F)c4cccs4)F; Fc1cccc(c1)S(=O)
    (=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4    		 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
    36266 SP1
    CHEMBL1236010
    ZINC000013816359    		 8 C10 H12 N5 O5 P S InChI=1S/C10H12N5O5PS/c11
    -8-5-9(13-2-12-8)15(3-14-
    5)10-6(16)7-4(19-10)1-18-
    21(17,22)20-7/h2-4,6-7,10
    ,16H,1H2,(H,17,22)(H2,11,
    12,13)/t4-,6-,7-,10-,21+/
    m1/s1;
    SMPNJFHAPJOHPP-LHKKBNDGSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)
    (=S)O[C@H]4[C@H]3O; S=P3(OCC4OC(n1c2ncnc
    (N)c2nc1)C(O)C4O3)O; Nc1ncnc2n(cnc12)[CH
    ]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)
    CO[P@](=S)(O4)O)O)N; c1nc(c2c(n1)n(cn2)C
    3C(C4C(O3)COP(=S)(O4)O)O)N    		 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL;
    SP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE
    36267 SP2
    ZINC000064744265    		 127 C41 H62 O InChI=1S/C41H62O/c1-34(2)
    20-14-23-37(5)26-17-29-38
    (6)27-15-24-35(3)21-12-13
    -22-36(4)25-16-28-39(7)30
    -18-31-40(8)32-19-33-41(9
    ,10)42-11/h12-13,15-16,18
    ,20-22,24-28,30-31H,14,17
    ,19,23,29,32-33H2,1-11H3/
    b13-12-,24-15+,25-16+,30-
    18+,35-21+,36-22+,37-26+,
    38-27+,39-28+,40-31+;
    IUUXWKRRZDDNQG-DJSFQYKBSA-N    		 COC(C)(C)CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=
    C\C=C/C=C(C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(
    C)C; O(C(CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C/
    C=C(/C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)C)C)
    C)C)C)(C)C)C; CC(=CCCC(=CCCC(=CC=CC(=CC=
    CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC)C)
    C)C)C; CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C
    \C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)
    (C)OC)/C)/C)/C)C; COC(C)(C)CCCC(C)=CC=CC
    (C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)
    CCC=C(C)C    		 3,4-DIHYDROSPHEROIDENE
    36268 SP3
    CHEMBL208472
    ZINC000024800189    		 2 C21 H12 F7 N3 O2 S2 InChI=1S/C21H12F7N3O2S2/c
    22-14-3-5-15(6-4-14)31-19
    (11-17(29-31)18-2-1-7-34-
    18)30-35(32,33)16-9-12(20
    (23,24)25)8-13(10-16)21(2
    6,27)28/h1-11,30H;
    BQSKQGGQDUBLNS-UHFFFAOYSA-N    		 c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O
    )c4cc(cc(c4)C(F)(F)F)C(F)(F)F; FC(F)(F)c
    1cc(cc(c1)C(F)(F)F)S(=O)(=O)Nc3n(nc(c2sc
    cc2)c3)c4ccc(F)cc4; Fc1ccc(cc1)n2nc(cc2N
    [S](=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)
    c4sccc4    		 N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
    36269 SP5
    CHEMBL131004
    ZINC000003870097    		 19 C12 H28 N4 O InChI=1S/C12H28N4O/c1-12(
    17)16-11-5-10-15-8-3-2-7-
    14-9-4-6-13/h14-15H,2-11,
    13H2,1H3,(H,16,17);
    GUNURVWAJRRUAV-UHFFFAOYSA-N    		 O=C(NCCCNCCCCNCCCN)C; CC(=O)NCCCNCCCCNCC
    CN    		 N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide;
    N1-AcSpermine
    36270 SP6
    CHEMBL409536
    DB08561
    ZINC000029133346    		 2 C21 H16 N2 O4 S InChI=1S/C21H16N2O4S/c24-
    18-11-19-23(21(26)22(18)1
    2-15-7-3-1-4-8-15)13-17(2
    8-19)20(25)27-14-16-9-5-2
    -6-10-16/h1-11,13H,12,14H
    2;
    PLBINCOCFGQAJM-UHFFFAOYSA-N    		 O=C(OCc1ccccc1)C=2SC3=CC(=O)N(C(=O)N3C=2
    )Cc4ccccc4; c1ccc(cc1)CN2C(=O)C=C3N(C2=O
    )C=C(S3)C(=O)OCc4ccccc4; O=C(OCc1ccccc1)
    C2=CN3C(=O)N(Cc4ccccc4)C(=O)C=C3S2    		 BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE
    36271 SP7 2 C10 H23 N3 O InChI=1S/C10H23N3O/c1-9(1
    3-10(2)14)5-8-12-7-4-3-6-
    11/h9,12H,3-8,11H2,1-2H3,
    (H,13,14)/t9-/m0/s1;
    NCHUZACAGJBRLA-VIFPVBQESA-N    		 C[CH](CCNCCCCN)NC(C)=O; C[C@@H](CCNCCCCN
    )NC(=O)C; CC(CCNCCCCN)NC(=O)C; C[C@@H](C
    CNCCCCN)NC(C)=O; O=C(NC(CCNCCCCN)C)C    		 N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide;
    S-N1-AcMeSpermidine
    36272 SP8
    ZINC000024979095    		 2 C15 H25 N3 O InChI=1S/C15H25N3O/c1-13(
    9-12-17-11-6-5-10-16)18-1
    5(19)14-7-3-2-4-8-14/h2-4
    ,7-8,13,17H,5-6,9-12,16H2
    ,1H3,(H,18,19)/t13-/m0/s1;
    UWDXTOVSVLCTLF-ZDUSSCGKSA-N    		 CC(CCNCCCCN)NC(=O)c1ccccc1; C[CH](CCNCCC
    CN)NC(=O)c1ccccc1; O=C(NC(C)CCNCCCCN)c1c
    cccc1; C[C@@H](CCNCCCCN)NC(=O)c1ccccc1    		 N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide;
    S-Bz-MeSpermidine
    36273 SP9
    ZINC000058649655    		 1 C15 H25 N3 O InChI=1S/C15H25N3O/c1-13(
    9-12-17-11-6-5-10-16)18-1
    5(19)14-7-3-2-4-8-14/h2-4
    ,7-8,13,17H,5-6,9-12,16H2
    ,1H3,(H,18,19)/t13-/m1/s1;
    UWDXTOVSVLCTLF-CYBMUJFWSA-N    		 CC(CCNCCCCN)NC(=O)c1ccccc1; C[CH](CCNCCC
    CN)NC(=O)c1ccccc1; O=C(NC(C)CCNCCCCN)c1c
    cccc1; C[C@H](CCNCCCCN)NC(=O)c1ccccc1    		 N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide;
    R-Bz-MeSpermidine
    36274 SPA
    ZINC000000157069    		 2 C6 H6 O2 S InChI=1S/C6H6O2S/c7-6(8)4
    -5-2-1-3-9-5/h1-3H,4H2,(H
    ,7,8);
    SMJRBWINMFUUDS-UHFFFAOYSA-N    		 OC(=O)Cc1sccc1; O=C(O)Cc1sccc1; c1cc(sc1
    )CC(=O)O    		 THIOPHENEACETIC ACID
    36275 SPB
    DB08562    		 16 C19 H19 N O3 InChI=1S/C19H19NO3/c21-18
    (7-4-8-19(22)23)20-17-13-
    11-16(12-14-17)10-9-15-5-
    2-1-3-6-15/h1-3,5-6,9-14H
    ,4,7-8H2,(H,20,21)(H,22,2
    3)/b10-9+;
    FTXJWRRYLLRFMG-MDZDMXLPSA-N    		 c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O;
    OC(=O)CCCC(=O)Nc1ccc(cc1)/C=C/c2ccccc2;
    c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O
    ; OC(=O)CCCC(=O)Nc1ccc(cc1)C=Cc2ccccc2;
    O=C(Nc1ccc(cc1)\C=C\c2ccccc2)CCCC(=O)O    		 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID;
    5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID;
    N-(TRANS-4-STILBENYL)-5-AMINO-5-OXO-PENTANOIC ACID
    36276 SPC
    DB01877
    ZINC000005888057    		 2 C13 H19 N3 O6 S InChI=1S/C13H19N3O6S/c1-2
    1-10-3-5-11(6-4-10)23(19,
    20)16-8-9(15-22-2)7-12(16
    )13(17)14-18/h3-6,9,12,15
    ,18H,7-8H2,1-2H3,(H,14,17
    )/t9-,12+/m0/s1;
    OJLWCTMBGWSVFC-JOYOIKCWSA-N    		 O=S(=O)(c1ccc(OC)cc1)N2C(C(=O)NO)CC(NOC)
    C2; COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H
    ]2C(=O)NO)NOC; CON[CH]1C[CH](N(C1)[S](=O
    )(=O)c2ccc(OC)cc2)C(=O)NO; COc1ccc(cc1)S
    (=O)(=O)N2CC(CC2C(=O)NO)NOC; CON[C@H]1C[
    C@@H](N(C1)[S](=O)(=O)c2ccc(OC)cc2)C(=O)
    NO    		 N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE
    36277 SPD
    CHEMBL19612
    DB03566
    ZINC000001532612    		 80 C7 H19 N3 InChI=1S/C7H19N3/c8-4-1-2
    -6-10-7-3-5-9/h10H,1-9H2;
    ATHGHQPFGPMSJY-UHFFFAOYSA-N    		 C(CCNCCCN)CN; NCCCNCCCCN; NCCCCNCCCN SPERMIDINE;
    N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE;
    PA(34)
    36278 SPE
    CHEMBL91193
    ZINC000001656877    		 0 C9 H24 N4 InChI=1S/C9H24N4/c10-4-1-
    6-12-8-3-9-13-7-2-5-11/h1
    2-13H,1-11H2;
    ZAXCZCOUDLENMH-UHFFFAOYSA-N    		 C(CN)CNCCCNCCCN; NCCCNCCCNCCCN THERMINE
    36279 SPF
    DB03179    		 1 C32 H44 N7 O20 P3 S InChI=1S/C32H44N7O20P3S/c
    1-31(2)29(32(31,45)30(44)
    35-8-7-20(40)34-9-10-63-2
    1(41)6-5-16-11-17(53-3)23
    (42)18(12-16)54-4)58-62(5
    1,52)59-61(49,50)55-13-19
    -25(57-60(46,47)48)24(43)
    28(56-19)39-15-38-22-26(3
    3)36-14-37-27(22)39/h5-6,
    11-12,14-15,19,24-25,28-2
    9,42-43,45H,7-10,13H2,1-4
    H3,(H,34,40)(H,35,44)(H,4
    9,50)(H,51,52)(H2,33,36,3
    7)(H2,46,47,48)/b6-5+/t19
    -,24+,25-,28-,29-,32?/m1/
    s1;
    HJGDVDUGXUSOGA-ADTMLPBESA-N    		 CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\
    c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](
    =O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4
    cnc5c4ncnc5N)O)OP(=O)(O)O)C; COc1cc(C=CC
    (=O)SCCNC(=O)CCNC(=O)[C]2(O)[CH](O[P](O)
    (=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3
    O[P](O)(O)=O)n4cnc5c(N)ncnc45)C2(C)C)cc(
    OC)c1O; O=C(SCCNC(=O)CCNC(=O)C4(O)C(C)(C
    )C4OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc
    12)N)C(O)C3OP(=O)(O)O)\C=C\c5cc(OC)c(O)c
    (OC)c5; CC1(C(C1(C(=O)NCCC(=O)NCCSC(=O)C
    =Cc2cc(c(c(c2)OC)O)OC)O)OP(=O)(O)OP(=O)(
    O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O
    )O)C; COc1cc(\C=C\C(=O)SCCNC(=O)CCNC(=O)
    [C@]2(O)[C@H](O[P@@](O)(=O)O[P@](O)(=O)O
    C[C@H]3O[C@H]([C@@H](O)[C@@H]3O[P](O)(O)
    =O)n4cnc5c(N)ncnc45)C2(C)C)cc(OC)c1O    		 SINAPOYL COENZYME A
    36280 SPG 0 C10 H15 N4 O10 P2 S InChI=1/C10H14N4O10P2S/c1
    5-6-4(1-23-25(17,18)19)24
    -10(7(6)16)14-3-13-5-8(14
    )11-2-12-9(5)27-26(20,21)
    22/h2-4,6-7,10,15-16H,1H2
    ,(H2,17,18,19)(H2,20,21,2
    2)/p+1/t4-,6-,7-,10-/m1/s
    1/fC10H15N4O10P2S/h12,17-
    18,20-21H/q+1;
    NYBPOGVUIOPXHI-YMLKADMZDU    		 c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O; O
    [CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2c
    nc3c(S[P](O)(O)=O)[nH+]cnc23; c1[nH+]c(c
    2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)S
    P(=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(O)=O)
    O[C@H]([C@@H]1O)n2cnc3c(S[P](O)(O)=O)[nH
    +]cnc23; O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3
    OC(C(O)C3O)COP(=O)(O)O    		 2-DEAMINO-6-DEOXY-6THIOPHOSPHITE-5'-PHOSPHATE GUANOSINE
    36281 SPH 3 C18 H37 N O2 InChI=1S/C18H37NO2/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-18(21)17(19)16-20/h
    14-15,17-18,20-21H,2-13,1
    6,19H2,1H3/t17-,18+/m1/s1;
    WWUZIQQURGPMPG-MSOLQXFVSA-N    		 CCCCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO; CC
    CCCCCCCCCCCC=CC(C(CO)N)O; CCCCCCCCCCCCCC
    =C[CH](O)[CH](N)CO; OCC(N)C(O)\C=C/CCCCC
    CCCCCCCC; CCCCCCCCCCCCCC=C[C@@H]([C@@H](
    CO)N)O    		 SPHINGOSINE
    36282 SPI
    DB04232
    ZINC000000580494    		 1 C20 H23 N3 O7 S InChI=1S/C20H23N3O7S/c1-2
    9-16-7-9-17(10-8-16)31(27
    ,28)23-12-11-22(13-18(23)
    19(24)21-26)20(25)30-14-1
    5-5-3-2-4-6-15/h2-10,18,2
    6H,11-14H2,1H3,(H,21,24)/
    t18-/m1/s1;
    DNGGPLKVDUPXFN-GOSISDBHSA-N    		 COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C
    (=O)NO)C(=O)OCc3ccccc3; COc1ccc(cc1)S(=O
    )(=O)N2CCN(CC2C(=O)NO)C(=O)OCc3ccccc3; O
    =S(=O)(c1ccc(OC)cc1)N3C(C(=O)NO)CN(C(=O)
    OCc2ccccc2)CC3; COc1ccc(cc1)[S](=O)(=O)N
    2CCN(C[CH]2C(=O)NO)C(=O)OCc3ccccc3; COc1
    ccc(cc1)[S](=O)(=O)N2CCN(C[C@@H]2C(=O)NO
    )C(=O)OCc3ccccc3    		 N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE
    36283 SPJ 0 C12 H30 N4 InChI=1S/C12H30N4/c1-11(1
    3)5-9-15-7-3-4-8-16-10-6-
    12(2)14/h11-12,15-16H,3-1
    0,13-14H2,1-2H3/t11-,12-/
    m1/s1;
    LXKFTCVCBKNJNM-VXGBXAGGSA-N    		 NC(CCNCCCCNCCC(N)C)C; CC(CCNCCCCNCCC(C)N
    )N; C[CH](N)CCNCCCCNCC[CH](C)N; C[C@@H](
    N)CCNCCCCNCC[C@@H](C)N; C[C@H](CCNCCCCNC
    C[C@@H](C)N)N    		 (3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine;
    bis-(3R,3'R)-methyl spermine
    36284 SPK 0 C10 H30 N4 InChI=1S/C10H26N4/c11-5-3
    -9-13-7-1-2-8-14-10-4-6-1
    2/h13-14H,1-12H2/p+4;
    PFNFFQXMRSDOHW-UHFFFAOYSA-R    		 C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]; [N
    H3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]; C(CCC[
    NH2+]CCC[NH3+])[NH2+]CCC[NH3+]    		 SPERMINE (FULLY PROTONATED FORM)
    36285 SPL 17 C26 H51 N O3 InChI=1S/C26H51NO3/c1-3-5
    -7-9-10-11-12-13-14-15-16
    -18-19-21-25(29)24(23-28)
    27-26(30)22-20-17-8-6-4-2
    /h19,21,24-25,28-29H,3-18
    ,20,22-23H2,1-2H3,(H,27,3
    0)/t24?,25-/m1/s1;
    APDLCSPGWPLYEQ-WUBHUQEYSA-N    		 CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCC
    CCCC; CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](C
    O)NC(=O)CCCCCCC; O=C(NC(CO)C(O)/C=C/CCCC
    CCCCCCCCC)CCCCCCC; CCCCCCCCCCCCCC=CC(C(C
    O)NC(=O)CCCCCCC)O; CCCCCCCCCCCCCC=C[C@H]
    (C(CO)NC(=O)CCCCCCC)O    		 OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE;
    CERAMIDE
    36286 SPM
    CHEMBL23194
    DB00127
    ZINC000001532734    		 63 C10 H26 N4 InChI=1S/C10H26N4/c11-5-3
    -9-13-7-1-2-8-14-10-4-6-1
    2/h13-14H,1-12H2;
    PFNFFQXMRSDOHW-UHFFFAOYSA-N    		 NCCCNCCCCNCCCN; C(CCNCCCN)CNCCCN SPERMINE
    36287 SPN
    ZINC000064437266    		 47 C41 H70 O2 InChI=1S/C41H70O2/c1-33(2
    )19-14-22-36(5)25-17-28-3
    7(6)26-15-23-34(3)20-12-1
    3-21-35(4)24-16-27-38(7)2
    9-18-30-39(8)31-32-40(42)
    41(9,10)43-11/h19,23-25,2
    9,31,37H,12-18,20-22,26-2
    8,30,32H2,1-11H3/b34-23+,
    35-24+,36-25+,38-29+,39-3
    1+/t37-/m0/s1;
    GWQAMGYOEYXWJF-YCDPMLDASA-N    		 COC(C)(C)C(=O)C\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CCCC\C(C)=C\CC[C@H](C)CC\C=C(/C)CCC=C
    (C)C; CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(
    =CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C
    )C; O=C(C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC
    CC(=C/CCC(C)CC\C=C(/C)CC\C=C(/C)C)/C)C(O
    C)(C)C; COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC
    =C(C)CCCCC(C)=CCC[CH](C)CCC=C(C)CCC=C(C)
    C; CC(CCC=C(C)CCCCC(=CCCC(=CCCC(=CCC(=O)
    C(C)(C)OC)C)C)C)CCC=C(C)CCC=C(C)C    		 SPEROIDENONE
    36288 SPO
    ZINC000064446704    		 1009 C41 H60 O InChI=1S/C41H60O/c1-34(2)
    20-14-23-37(5)26-17-29-38
    (6)27-15-24-35(3)21-12-13
    -22-36(4)25-16-28-39(7)30
    -18-31-40(8)32-19-33-41(9
    ,10)42-11/h12-13,15-16,18
    -22,24-28,30-32H,14,17,23
    ,29,33H2,1-11H3/b13-12+,2
    4-15+,25-16+,30-18+,32-19
    +,35-21+,36-22-,37-26+,38
    -27+,39-28+,40-31+;
    FJOCMTHZSURUFA-KXCOHNEYSA-N    		 CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(
    C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C; COC(C)
    (C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C/C=
    C/C=C(C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C;
    COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=
    CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C; O(C(C
    \C=C\C(=C\C=C\C(=C\C=C\C(=C/C=C/C=C(/C=C
    /C=C(\C)CC\C=C(/C)CC\C=C(/C)C)C)C)C)C)(C
    )C)C; CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(
    \C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)O
    C)C)/C)C)C    		 SPHEROIDENE
    36289 SPP
    CHEMBL593
    DB00705
    ZINC000018516586    		 1 C22 H28 N6 O3 S InChI=1S/C22H28N6O3S/c1-1
    5(2)24-19-5-4-8-23-21(19)
    27-9-11-28(12-10-27)22(29
    )20-14-16-13-17(26-32(3,3
    0)31)6-7-18(16)25-20/h4-8
    ,13-15,24-26H,9-12H2,1-3H
    3;
    WHBIGIKBNXZKFE-UHFFFAOYSA-N    		 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc
    4[nH]3)NS(=O)(=O)C; CC(C)Nc1cccnc1N2CCN(
    CC2)C(=O)c3[nH]c4ccc(N[S](C)(=O)=O)cc4c3
    ; O=C(c2cc1cc(NS(=O)(=O)C)ccc1n2)N4CCN(c
    3ncccc3NC(C)C)CC4    		 (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE;
    Delavirdine
    36290 SPQ
    ZINC000033821523    		 4 C10 H15 F O14 P2 InChI=1S/C10H15FO14P2/c11
    -3-10(9(15)16,25-27(20,21
    )22)23-5-1-4(8(13)14)2-6(
    7(5)12)24-26(17,18)19/h2,
    5-7,12H,1,3H2,(H,13,14)(H
    ,15,16)(H2,17,18,19)(H2,2
    0,21,22)/t5-,6-,7+,10+/m1
    /s1;
    HTMVUWTXBMZROV-JQCUSGDOSA-N    		 C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(
    O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O; O=C(O
    )C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)
    C(=O)O)CF; O[C@H]1[C@@H](CC(=C[C@H]1O[P]
    (O)(O)=O)C(O)=O)O[C@@](CF)(O[P](O)(O)=O)
    C(O)=O; C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)
    OC(CF)(C(=O)O)OP(=O)(O)O; O[CH]1[CH](CC(
    =C[CH]1O[P](O)(O)=O)C(O)=O)O[C](CF)(O[P]
    (O)(O)=O)C(O)=O    		 (3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
    36291 SPR
    CHEMBL453514
    DB06145
    ZINC000257373089    		 1 C43 H74 N2 O14 InChI=1S/C43H74N2O14/c1-2
    4-21-29(19-20-46)39(59-42
    -37(49)36(45(9)10)38(27(4
    )56-42)58-35-23-43(6,51)4
    1(50)28(5)55-35)40(52-11)
    31(47)22-33(48)53-25(2)15
    -13-12-14-16-32(24)57-34-
    18-17-30(44(7)8)26(3)54-3
    4/h12-14,16,20,24-32,34-4
    2,47,49-51H,15,17-19,21-2
    3H2,1-11H3/b13-12+,16-14+
    /t24-,25-,26-,27-,28+,29+
    ,30+,31-,32+,34+,35+,36-,
    37-,38-,39+,40+,41+,42+,4
    3-/m1/s1;
    ACTOXUHEUCPTEW-CEUOBAOPSA-N    		 CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C
    /[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C
    )[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@
    H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)
    [C@H](C)O4)[C@@H]([C@H]3O)N(C)C; O=CCC4C
    (OC2OC(C(OC1OC(C)C(O)C(O)(C)C1)C(N(C)C)C
    2O)C)C(OC)C(O)CC(=O)OC(C)CC=CC=CC(OC3OC(
    C)C(N(C)C)CC3)C(C)C4; C[C@@H]1C\C=C\C=C\
    [C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H
    ](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@
    H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H]
    (O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@
    @H]([C@H](O4)C)N(C)C; CC1CC=CC=CC(C(CC(C
    (C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC
    (C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C
    (O4)C)N(C)C; CO[CH]1[CH](O)CC(=O)O[CH](C
    )CC=CC=C[CH](O[CH]2CC[CH]([CH](C)O2)N(C)
    C)[CH](C)C[CH](CC=O)[CH]1O[CH]3O[CH](C)[
    CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH
    ]([CH]3O)N(C)C    		 SPIRAMYCIN I
    36292 SPS
    CHEMBL105720
    DB04222
    ZINC000004742520    		 0 C13 H19 N3 O5 S2 InChI=1S/C13H19N3O5S2/c1-
    8-10(12(19)16-13(20)14-8)
    3-4-11(18)15-9(5-17)6-23(
    21)7-22-2/h3-4,9,17H,5-7H
    2,1-2H3,(H,15,18)(H2,14,1
    6,19,20)/b4-3+/t9-,23+/m0
    /s1;
    XKLZIVIOZDNKEQ-CLQLPEFOSA-N    		 CSC[S](=O)C[CH](CO)NC(=O)C=CC1=C(C)NC(=O
    )NC1=O; O=C1NC(=C(\C=C\C(=O)NC(CS(=O)CSC
    )CO)C(=O)N1)C; CC1=C(C(=O)NC(=O)N1)/C=C/
    C(=O)N[C@@H](CO)C[S@@](=O)CSC; CSC[S@](=
    O)C[C@H](CO)NC(=O)/C=C/C1=C(C)NC(=O)NC1=
    O; CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(
    =O)CSC    		 SPARSOMYCIN
    36293 SPT 0 C10 H15 N2 O7 P S InChI=1S/C10H15N2O7PS/c1-
    5-3-12(10(15)11-9(5)14)8-
    2-6(13)7(19-8)4-21-20(16,
    17)18/h3,6-8,13H,2,4H2,1H
    3,(H,11,14,15)(H2,16,17,1
    8)/t6-,7+,8+/m0/s1;
    NTABNFYUFIHXQE-XLPZGREQSA-N    		 CC1=CN([CH]2C[CH](O)[CH](CS[P](O)(O)=O)O
    2)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)[C@H]2C[
    C@@H]([C@H](O2)CSP(=O)(O)O)O; CC1=CN(C(=
    O)NC1=O)C2CC(C(O2)CSP(=O)(O)O)O; CC1=CN(
    [C@H]2C[C@H](O)[C@@H](CS[P](O)(O)=O)O2)C
    (=O)NC1=O; O=P(O)(O)SCC2OC(N1C(=O)NC(=O)
    C(=C1)C)CC2O    		 5'-THIO-THYMIDINE PHOSPHONIC ACID
    36294 SPU
    CHEMBL1236027
    ZINC000008218753    		 5 C23 H50 N2 O5 P InChI=1S/C23H49N2O5P/c1-5
    -6-7-8-9-10-11-12-13-14-1
    5-16-17-18-23(26)22(24)21
    -30-31(27,28)29-20-19-25(
    2,3)4/h17-18,22-23,26H,5-
    16,19-21,24H2,1-4H3/p+1/b
    18-17+/t22-,23+/m0/s1;
    JLVSPVFPBBFMBE-HXSWCURESA-O    		 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)
    (O)OCC[N+](C)(C)C)N)O; O=P(OCC(N)C(O)/C=
    C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CCCCC
    CCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[P](O)(
    =O)OCC[N+](C)(C)C; CCCCCCCCCCCCCC=C[CH](
    O)[CH](N)CO[P](O)(=O)OCC[N+](C)(C)C; CCC
    CCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)
    C)N)O    		 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium;
    sphingosylphosphorylcholine, sphingosine phosphorylcholine
    36295 SPV
    DB02156
    ZINC000004096823    		 12 C3 H4 O6 S InChI=1S/C3H4O6S/c4-2(3(5
    )6)1-10(7,8)9/h1H2,(H,5,6
    )(H,7,8,9);
    BUTHMSUEBYPMKJ-UHFFFAOYSA-N    		 OC(=O)C(=O)C[S](O)(=O)=O; O=C(O)C(=O)CS(
    =O)(=O)O; C(C(=O)C(=O)O)S(=O)(=O)O    		 SULFOPYRUVATE
    36296 SPW 0 C10 H20 N4 InChI=1S/C10H26N4/c11-5-3
    -9-13-7-1-2-8-14-10-4-6-1
    2/h13-14H,1-12H2/p+4/i/hD
    10;
    PFNFFQXMRSDOHW-NLAGYVBISA-R    		 [N+](CCC[N+](CCCC[N+](CCC[N+]([2H])([2H]
    )[2H])([2H])[2H])([2H])[2H])([2H])([2H])
    [2H]; [2H][N+]([2H])([2H])CCC[N+]([2H])(
    [2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([
    2H])[2H]; [2H][N+]([2H])(CCC[N+]([2H])([
    2H])[2H])CCCC[N+]([2H])([2H])CCC[N+]([2H
    ])([2H])[2H]    		 N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM;
    SPERMINE (FULLY DEUTERATED FORM)
    36297 SPX
    ZINC000263620743    		 1 C53 H85 N O14 InChI=1S/C53H85NO14/c1-33
    -17-15-19-48(58)67-52(39(
    7)51(66-14)35(3)22-25-44(
    56)37(5)46(64-12)18-16-26
    -54(8)32-55)36(4)21-24-41
    (61-9)30-45(57)34(2)20-23
    -42(62-10)31-47(65-13)38(
    6)53-50(60)40(29-49(59)68
    -53)28-43(27-33)63-11/h15
    -17,19-21,23-24,26,29,32,
    34-39,41-43,45-47,50-53,5
    7,60H,18,22,25,27-28,30-3
    1H2,1-14H3/b19-15-,23-20+
    ,24-21+,26-16+,33-17+/t34
    -,35-,36-,37-,38+,39-,41-
    ,42+,43+,45-,46+,47-,50-,
    51-,52-,53-/m0/s1;
    MINVLQAHLUCDIO-WUYLRMRFSA-N    		 C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C
    @H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)
    O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C
    )[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)
    [C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)
    OC; CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=
    CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)C
    CC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)O
    C)OC; CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C
    =C[CH](C[CH](O)[CH](C)C=C[CH](C[CH](OC)[
    CH](C)[CH]2OC(=O)C=C(C1)[CH]2O)OC)OC)[CH
    ](C)[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC
    =CN(C)C=O)OC)C; CO[C@@H]1C\C(=C\C=C/C(=O
    )O[C@@H]([C@@H](C)/C=C/[C@@H](C[C@H](O)[
    C@@H](C)/C=C/[C@H](C[C@H](OC)[C@@H](C)[C
    @@H]2OC(=O)C=C(C1)[C@@H]2O)OC)OC)[C@@H](
    C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@
    H](C\C=C\N(C)C=O)OC)C; O=CN(\C=C\CC(OC)C
    (C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC
    (OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(O
    )CC(OC)C=CC1C)C)C2O)C)C    		 SPHINXOLIDE B;
    N-((4R,5R,9S,10S,11S,E)-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25S,29S)-17,29-DIHYDROXY-3,15,21,23-TETRAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXODODEC-1-ENYL)-N-METHYLFORMAMIDE
    36298 SPY 0 C5 H5 N O3 S InChI=1S/C5H5NO3S/c7-10(8
    ,9)5-1-3-6-4-2-5/h1-4H,(H
    ,7,8,9);
    PTWLOSARXIJRRJ-UHFFFAOYSA-N    		 O[S](=O)(=O)c1ccncc1; c1cnccc1S(=O)(=O)O
    ; O=S(=O)(O)c1ccncc1    		 pyridine-4-sulfonic acid
    36299 SPZ 0 C12 H30 N4 InChI=1S/C12H30N4/c1-11(1
    3)5-9-15-7-3-4-8-16-10-6-
    12(2)14/h11-12,15-16H,3-1
    0,13-14H2,1-2H3/t11-,12-/
    m0/s1;
    LXKFTCVCBKNJNM-RYUDHWBXSA-N    		 C[C@H](N)CCNCCCCNCC[C@H](C)N; NC(CCNCCCC
    NCCC(N)C)C; CC(CCNCCCCNCCC(C)N)N; C[CH](
    N)CCNCCCCNCC[CH](C)N; C[C@@H](CCNCCCCNCC
    [C@H](C)N)N    		 (3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine;
    bis-(3S,3'S)-methyl spermine
    36300 SQ 0 C7 H12 N2 O2 InChI=1S/C7H12N2O2/c1-3-9
    -5-4(8-2)6(10)7(5)11/h4-5
    ,8-9H,3H2,1-2H3;
    FYAIPBIOBLLUAM-UHFFFAOYSA-N    		 CCN[C@@H]1[C@H](NC)C(=O)C1=O; O=C1C(=O)C
    (NCC)C1NC; CCNC1C(C(=O)C1=O)NC; CCN[CH]1
    [CH](NC)C(=O)C1=O    		 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE;
    SQUARIC ACID
    36301 SQ0 10 C14 H24 N2 O5 InChI=1S/C14H24N2O5/c17-7
    -4-2-1-3-5-15-11-12(14(20
    )13(11)19)16-6-9-21-10-8-
    18/h15-18H,1-10H2;
    RJWRZWAPNJTDAQ-UHFFFAOYSA-N    		 O=C1C(NCCCCCCO)=C(NCCOCCO)C1=O; C(CCCO)C
    CNC1=C(C(=O)C1=O)NCCOCCO; OCCCCCCNC1=C(N
    CCOCCO)C(=O)C1=O    		 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
    36302 SQ1 1 C26 H36 Cu N6 O2 S InChI=1S/C26H36N6O2S.Cu/c
    33-24(10-2-1-9-23-25-22(1
    9-35-23)30-26(34)31-25)29
    -15-18-32(16-11-20-7-3-5-
    13-27-20)17-12-21-8-4-6-1
    4-28-21;/h3-8,13-14,22-23
    ,25H,1-2,9-12,15-19H2,(H,
    29,33)(H2,30,31,34);/t22-
    ,23-,25-;/m0./s1;
    SAHQKCHSOKYSAG-LTWAPREQSA-N    		 [Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N
    CCN(CCc3ccccn3)CCc4ccccn4; [Cu].O=C(CCCC
    [C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCN(CCc3
    ccccn3)CCc4ccccn4; C1C[N]2(CCC3=[N]([Cu]
    2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H
    ]5[C@@H]6[C@H](CS5)NC(=O)N6; [Cu]15N(CCc
    2n1cccc2)(CCNC(CCCCC3C4C(CS3)NC(N4)=O)=O
    )CCc6n5cccc6; C1C[N]2(CCC3=[N]([Cu]2[N]4
    =C1C=CC=C4)C=CC=C3)CCNC(=O)CCCCC5C6C(CS5
    )NC(=O)N6    		 [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide]copper
    36303 SQ2 2 C14 H18 N4 O InChI=1S/C14H18N4O/c1-11-
    6-8-17(9-7-11)14(19)10-18
    -13-5-3-2-4-12(13)15-16-1
    8/h2-5,11H,6-10H2,1H3;
    CTUYCKVPYLPOTM-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2; CC1CCN(C
    C1)C(=O)Cn2nnc3ccccc23    		 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one;
    2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
    36304 SQ3 1 C23 H29 Cl2 N3 O5 InChI=1S/C23H29Cl2N3O5/c1
    -23(2)15-9-28(18(30)11-33
    -17-4-3-13(24)8-16(17)25)
    20(19(15)23)22(32)27-14(1
    0-29)7-12-5-6-26-21(12)31
    /h3-4,8,12,14-15,19-20,29
    H,5-7,9-11H2,1-2H3,(H,26,
    31)(H,27,32)/t12-,14-,15-
    ,19-,20-/m0/s1;
    GDZSJNGXWJGQFB-ZUHDPNGNSA-N    		 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)COc3ccc
    (cc3Cl)Cl)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C
    O)C; CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O
    )N[C@H](CO)C[C@@H]3CCNC3=O)C(=O)COc4ccc(
    Cl)cc4Cl; CC1(C2C1C(N(C2)C(=O)COc3ccc(cc
    3Cl)Cl)C(=O)NC(CC4CCNC4=O)CO)C; CC1(C)C2
    C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1
    ccc(Cl)cc1Cl; CC1(C)[CH]2CN([CH]([CH]12)
    C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)COc4ccc
    (Cl)cc4Cl    		 (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    36305 SQ4
    ZINC000002169111    		 1 C10 H8 N2 O2 InChI=1S/C10H8N2O2/c11-7-
    1-3-8(4-2-7)12-9(13)5-6-1
    0(12)14/h1-6H,11H2;
    XOPCHXSYQHXLHJ-UHFFFAOYSA-N    		 c1cc(ccc1N)N2C(=O)C=CC2=O; Nc1ccc(cc1)N2
    C(=O)C=CC2=O    		 1-(4-aminophenyl)pyrrole-2,5-dione
    36306 SQ5 2 C15 H18 F N3 O2 InChI=1S/C15H18FN3O2/c16-
    11-7-12(9-17-8-11)19-14(2
    0)13(18-15(19)21)6-10-4-2
    -1-3-5-10/h7-10,13H,1-6H2
    ,(H,18,21)/t13-/m0/s1;
    MTRGOOHUDUKDJK-ZDUSSCGKSA-N    		 c1c(cncc1F)N2C(=O)C(NC2=O)CC3CCCCC3; Fc1
    cncc(c1)N2C(=O)N[C@@H](CC3CCCCC3)C2=O; c
    1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3;
    Fc1cncc(c1)N2C(=O)N[CH](CC3CCCCC3)C2=O    		 (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione;
    (5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione
    36307 SQ6
    CHEMBL461164
    ZINC000001769275    		 0 C4 H7 N O4 InChI=1S/C4H7NO4/c6-3(7)1
    -5-2-4(8)9/h5H,1-2H2,(H,6
    ,7)(H,8,9);
    NBZBKCUXIYYUSX-UHFFFAOYSA-N    		 C(C(=O)O)NCC(=O)O; OC(=O)CNCC(O)=O; O=C(
    O)CNCC(=O)O    		 2,2'-azanediyldiacetic acid
    36308 SQ7 1 C9 H5 Cl N2 O2 InChI=1S/C9H5ClN2O2/c10-6
    -1-3-7(4-2-6)12-8(13)5-11
    -9(12)14/h1-5H;
    NBCHVOUDLBVSEK-UHFFFAOYSA-N    		 Clc1ccc(cc1)N2C(=O)C=NC2=O; c1cc(ccc1N2C
    (=O)C=NC2=O)Cl    		 3-(4-chlorophenyl)imidazole-2,4-dione
    36309 SQ8 1 C25 H23 Cl F N5 O3 InChI=1S/C25H23ClFN5O3/c1
    -29-22-9-21-15(10-31-22)7
    -18(25(33)32(21)11-23-34-
    12-16(28)13-35-23)17-5-4-
    14(8-19(17)26)24-20(27)3-
    2-6-30-24/h2-10,16,23H,11
    -13,28H2,1H3,(H,29,31)/t1
    6-,23-;
    KTACUAZSJJIUKD-QXONSOMPSA-N    		 CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4c
    cc(cc4Cl)c5c(cccn5)F; CNc1cc2N(C[CH]3OC[
    CH](N)CO3)C(=O)C(=Cc2cn1)c4ccc(cc4Cl)c5n
    cccc5F; CNc1cc2N(C[C@H]3OC[C@H](N)CO3)C(
    =O)C(=Cc2cn1)c4ccc(cc4Cl)c5ncccc5F    		 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
    36310 SQ9
    CHEMBL3110227
    ZINC000095921383    		 2 C19 H24 N6 O3 S InChI=1S/C19H24N6O3S/c1-1
    1-13(8-5-9-14(11)29(21,26
    )27)16-22-15-17(23-16)24-
    19(20)25-18(15)28-10-12-6
    -3-2-4-7-12/h5,8-9,12H,2-
    4,6-7,10H2,1H3,(H2,21,26,
    27)(H3,20,22,23,24,25);
    MTASIWVJZCLGMA-UHFFFAOYSA-N    		 Cc1c(cccc1[S](N)(=O)=O)c2[nH]c3c(OCC4CCC
    CC4)nc(N)nc3n2; Cc1c(cccc1S(=O)(=O)N)c2[
    nH]c3c(n2)nc(nc3OCC4CCCCC4)N; O=S(=O)(N)
    c4cccc(c3nc2nc(nc(OCC1CCCCC1)c2n3)N)c4C    		 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide
    36311 SQA
    DB03874
    ZINC000005158550    		 3 C29 H51 N InChI=1S/C29H51N/c1-25(2)
    15-11-18-28(5)21-12-19-26
    (3)16-9-10-17-27(4)20-13-
    22-29(6)23-14-24-30(7)8/h
    15-17,21-22H,9-14,18-20,2
    3-24H2,1-8H3/b26-16+,27-1
    7+,28-21+,29-22+;
    OBYAAZRQFIVRJS-GUUMBNHASA-N    		 C(=C(/CCCN(C)C)C)\CCC(=C/CC\C=C(/C)CC\C=
    C(/C)CC\C=C(/C)C)/C; CC(=CCCC(=CCCC(=CCC
    C=C(C)CCC=C(C)CCCN(C)C)C)C)C; CN(C)CCCC(
    C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C; C
    N(C)CCC\C(C)=C\CC\C(C)=C\CC\C=C(C)\CC\C=
    C(C)\CCC=C(C)C; CC(=CCC/C(=C/CC/C(=C/CC\
    C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C    		 2-AZASQUALENE;
    (4E,8E,12Z,16Z)-N,N,4,8,13,17,21-HEPTAMETHYLDOCOSA-4,8,12,16,20-PENTAEN-1-AMINE
    36312 SQB
    CHEMBL5169576    		 2 C26 H27 Cl N6 O4 InChI=1S/C26H27ClN6O4/c1-
    14-4-7-21(35-3)23(31-14)1
    5-5-6-18(20(27)9-15)19-8-
    16-10-30-26(29-2)32-24(16
    )33(25(19)34)11-22-36-12-
    17(28)13-37-22/h4-10,17,2
    2H,11-13,28H2,1-3H3,(H,29
    ,30,32)/t17-,22-;
    SPYPSRDGJWPJCB-VVOJOOEHSA-N    		 CNc1ncc2C=C(C(=O)N(C[C@@H]3OC[C@@H](N)CO
    3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5OC; Cc1ccc
    (c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)
    CC5OCC(CO5)N)NC)OC; CNc1ncc2C=C(C(=O)N(C
    [CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(
    C)ccc5OC    		 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
    36313 SQC
    CHEMBL4101131    		 6 C20 H19 N3 O3 InChI=1S/C20H19N3O3/c24-1
    9-17(18(20(19)25)22-13-15
    -3-1-2-8-21-15)14-4-6-16(
    7-5-14)23-9-11-26-12-10-2
    3/h1-8,22H,9-13H2;
    PPDXHFIWMLVDEJ-UHFFFAOYSA-N    		 O=C1C(NCc2ccccn2)=C(C1=O)c1ccc(cc1)N1CCO
    CC1; c1ccnc(c1)CNC2=C(C(=O)C2=O)c3ccc(cc
    3)N4CCOCC4; O=C1C(=O)C(=C1NCc2ccccn2)c3c
    cc(cc3)N4CCOCC4    		 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
    36314 SQD
    CHEMBL1207915
    ZINC000095548942    		 0 C41 H78 O12 S InChI=1S/C41H78O12S/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-36(42)50-31-34
    (32-51-41-40(46)39(45)38(
    44)35(53-41)33-54(47,48)4
    9)52-37(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2/h34-35,38-41,44-46H,3-3
    3H2,1-2H3,(H,47,48,49)/t3
    4-,35-,38-,39+,40-,41+/m1
    /s1;
    RVUUQPKXGDTQPG-JUDHQOGESA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@
    H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1
    O)OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCC
    C(=O)OC[CH](CO[CH]1O[CH](C[S](O)(=O)=O)[
    CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCC
    C; O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCC
    CCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O;
    CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H](
    [C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)
    OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)
    OC(=O)CCCCCCCCCCCCCCC    		 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL;
    SULFOQUINOVOSYLDIACYLGLYCEROL
    36315 SQE
    CHEMBL5175296    		 1 C25 H23 Cl F2 N6 O3 InChI=1S/C25H23ClF2N6O3/c
    1-30-25-31-9-14-7-17(24(3
    5)34(23(14)33-25)10-21-36
    -11-15(29)12-37-21)16-6-5
    -13(8-18(16)26)19-3-2-4-2
    0(32-19)22(27)28/h2-9,15,
    21-22H,10-12,29H2,1H3,(H,
    30,31,33)/t15-,21-;
    SPTBMDXMZIQSLW-WEHONNDLSA-N    		 CNc1ncc2C=C(C(=O)N(C[C@@H]3OC[C@@H](N)CO
    3)c2n1)c4ccc(cc4Cl)c5cccc(n5)C(F)F; CNc1
    ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc
    (n4)C(F)F)CC5OCC(CO5)N; CNc1ncc2C=C(C(=O
    )N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c
    5cccc(n5)C(F)F    		 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
    36316 SQG
    ZINC000000999680    		 1 C10 H7 F3 N2 O2 InChI=1S/C10H7F3N2O2/c11-
    10(12,13)17-8-3-1-7(2-4-8
    )15-9(16)5-6-14/h1-4H,5H2
    ,(H,15,16);
    RCYAMEKUNPRZAA-UHFFFAOYSA-N    		 FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1; c1cc(ccc1
    NC(=O)CC#N)OC(F)(F)F    		 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
    36317 SQH
    CHEMBL222541
    ZINC000000057844    		 2 C15 H10 O6 InChI=1S/C15H10O6/c16-9-3
    -1-7(5-12(9)19)13-6-11(18
    )8-2-4-10(17)14(20)15(8)2
    1-13/h1-6,16-17,19-20H;
    ARYCMKPCDNHQCL-UHFFFAOYSA-N    		 Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2; c
    1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O    		 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one;
    3',4',7,8-Tetrahydroxyflavone
    36318 SQI
    CHEMBL1534653
    ZINC000008214576    		 0 C16 H35 N InChI=1S/C16H35N/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17/h2-17H2,1H3;
    FJLUATLTXUNBOT-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCN hexadecan-1-amine
    36319 SQK
    CHEMBL5194644    		 1 C25 H24 Cl F N6 O3 InChI=1S/C25H24ClFN6O3/c1
    -13-3-6-20(27)22(31-13)14
    -4-5-17(19(26)8-14)18-7-1
    5-9-30-25(29-2)32-23(15)3
    3(24(18)34)10-21-35-11-16
    (28)12-36-21/h3-9,16,21H,
    10-12,28H2,1-2H3,(H,29,30
    ,32)/t16-,21-;
    PTVQIBSBMWRMNS-OQIWPSSASA-N    		 CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2
    n1)c4ccc(cc4Cl)c5nc(C)ccc5F; CNc1ncc2C=C
    (C(=O)N(C[C@@H]3OC[C@@H](N)CO3)c2n1)c4cc
    c(cc4Cl)c5nc(C)ccc5F; Cc1ccc(c(n1)c2ccc(
    c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N
    )NC)F    		 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
    36320 SQL
    CHEMBL458402
    DB11460
    ZINC000006845904    		 7 C30 H50 InChI=1S/C30H50/c1-25(2)1
    5-11-19-29(7)23-13-21-27(
    5)17-9-10-18-28(6)22-14-2
    4-30(8)20-12-16-26(3)4/h1
    5-18,23-24H,9-14,19-22H2,
    1-8H3/b27-17+,28-18+,29-2
    3+,30-24+;
    YYGNTYWPHWGJRM-AAJYLUCBSA-N    		 CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C
    )C)C)C)C; C(=C/CC/C(=C/CCC(=C/CC\C=C(/C)
    CC\C=C(/C)CC\C=C(/C)C)/C)C)(\C)C; CC(=CC
    C/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C
    )\C)\C)/C)/C)C; CC(C)=CCC\C(C)=C\CC\C(C)
    =C\CC\C=C(/C)CC\C=C(C)\CCC=C(C)C; CC(C)=
    CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C
    )C    		 (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;
    squalene
    36321 SQM
    ZINC000000040636    		 1 C12 H12 N4 O2 InChI=1S/C12H12N4O2/c1-16
    -10(11(13)17)9(7-14-16)15
    -12(18)8-5-3-2-4-6-8/h2-7
    H,1H3,(H2,13,17)(H,15,18);
    RHBYLZOCKQVWCX-UHFFFAOYSA-N    		 Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O; Cn1c(c(c
    n1)NC(=O)c2ccccc2)C(=O)N    		 4-benzamido-2-methyl-pyrazole-3-carboxamide
    36322 SQO
    CHEMBL1236036
    ZINC000058649958    		 1 C15 H18 N6 O2 InChI=1S/C15H18N6O2/c22-1
    4-10-7-12-13(8-11(10)17-9
    -18-14)20-15(19-12)16-1-2
    -21-3-5-23-6-4-21/h7-9H,1
    -6H2,(H2,16,19,20)(H,17,1
    8,22);
    IQPSZZDLHUVVGO-UHFFFAOYSA-N    		 O=C1c2cc3nc(nc3cc2N=CN1)NCCN4CCOCC4; c1c
    2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O; O
    =C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12    		 2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    36323 SQP
    ZINC000001233107    		 1 C13 H11 N O2 InChI=1S/C13H11NO2/c14-10
    -7-5-9(6-8-10)11-3-1-2-4-
    12(11)13(15)16/h1-8H,14H2
    ,(H,15,16);
    DHTPJFVSTBGVFV-UHFFFAOYSA-N    		 Nc1ccc(cc1)c2ccccc2C(O)=O; c1ccc(c(c1)c2
    ccc(cc2)N)C(=O)O    		 2-(4-aminophenyl)benzoic acid
    36324 SQQ
    CHEMBL5180834    		 1 C31 H29 Cl N6 O4 InChI=1S/C31H29ClN6O4/c1-
    18-6-5-8-25(35-18)19-10-1
    1-22(24(32)13-19)23-12-20
    -14-34-31(36-26-7-3-4-9-2
    7(26)40-2)37-29(20)38(30(
    23)39)15-28-41-16-21(33)1
    7-42-28/h3-14,21,28H,15-1
    7,33H2,1-2H3,(H,34,36,37)
    /t21-,28-;
    OPWAUHSYJGDGRB-BFZJZIARSA-N    		 COc1ccccc1Nc2ncc3C=C(C(=O)N(C[C@@H]4OC[C
    @@H](N)CO4)c3n2)c5ccc(cc5Cl)c6cccc(C)n6;
    Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N
    (C3=O)CC5OCC(CO5)N)Nc6ccccc6OC; COc1cccc
    c1Nc2ncc3C=C(C(=O)N(C[CH]4OC[CH](N)CO4)c
    3n2)c5ccc(cc5Cl)c6cccc(C)n6    		 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one
    36325 SQR 1 C20 H28 N2 O16 S InChI=1S/C20H28N2O16S/c1-
    8(25)21-13-15(27)17(12(7-
    24)36-19(13)34-10-4-2-9(3
    -5-10)22(29)30)37-20-16(2
    8)18(38-39(31,32)33)14(26
    )11(6-23)35-20/h2-5,11-20
    ,23-24,26-28H,6-7H2,1H3,(
    H,21,25)(H,31,32,33)/t11-
    ,12-,13-,14+,15-,16-,17-,
    18+,19-,20+/m1/s1;
    RWBHCBGHSHJQOQ-MRHFAZSRSA-N    		 CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)N(=O)=O)CO)
    OC3C(C(C(C(O3)CO)O)OS(=O)(=O)O)O)O; CC(=
    O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c
    cc(cc2)N(=O)=O)CO)O[C@H]3[C@@H]([C@H]([C
    @H]([C@H](O3)CO)O)OS(=O)(=O)O)O)O; CC(=O
    )N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O
    )[CH](O[S](O)(=O)=O)[CH]2O)[CH](CO)O[CH]
    1Oc3ccc(cc3)[N](=O)=O; CC(=O)N[C@@H]1[C@
    @H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C
    @H](O[S](O)(=O)=O)[C@H]2O)[C@@H](CO)O[C@
    H]1Oc3ccc(cc3)[N](=O)=O    		 [(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
    36326 SQS
    CHEMBL67166
    DB03203
    ZINC000008195650    		 3 C18 H37 N O2 InChI=1S/C18H37NO2/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-18(21)17(19)16-20/h
    14-15,17-18,20-21H,2-13,1
    6,19H2,1H3/b15-14+/t17-,1
    8+/m0/s1;
    WWUZIQQURGPMPG-KRWOKUGFSA-N    		 CCCCCCCCCCCCCC=CC(C(CO)N)O; CCCCCCCCCCCC
    CC=C[CH](O)[CH](N)CO; OCC(N)C(O)/C=C/CCC
    CCCCCCCCCC; CCCCCCCCCCCCC/C=C/[C@H]([C@H
    ](CO)N)O; CCCCCCCCCCCCC/C=C/[C@@H](O)[C@
    @H](N)CO    		 (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol;
    D-Sphingosine
    36327 SQT
    ZINC000019507343    		 1 C16 H19 N5 InChI=1S/C16H19N5/c17-16(
    18)13-6-7-15(19-12-13)21-
    10-8-20(9-11-21)14-4-2-1-
    3-5-14/h1-7,12H,8-11H2,(H
    3,17,18);
    UKIJUFIFFKYHSH-UHFFFAOYSA-N    		 [H]/N=C(\c1ccc(nc1)N2CCN(CC2)c3ccccc3)/N
    ; N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1; c1
    ccc(cc1)N2CCN(CC2)c3ccc(cn3)C(=N)N; NC(=
    N)c1ccc(nc1)N2CCN(CC2)c3ccccc3    		 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
    36328 SQU
    ZINC000014880149    		 0 C27 H56 InChI=1S/C27H56/c1-25(2)2
    1-17-13-10-8-6-7-9-11-15-
    19-23-27(5)24-20-16-12-14
    -18-22-26(3)4/h25-27H,6-2
    4H2,1-5H3/t27-/m1/s1;
    ZADHKSJXSZBQFB-HHHXNRCGSA-N    		 CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C;
    C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C; CC(
    C)CCCCCCCCCCCCC(C)CCCCCCCC(C)C    		 2,10,23-TRIMETHYL-TETRACOSANE;
    LIPID FRAGMENT
    36329 SQV 1 C10 H13 N O3 InChI=1S/C10H13NO3/c1-7(1
    0(12)14-3)9-6-8(13-2)4-5-
    11-9/h4-7H,1-3H3/t7-/m0/s
    1;
    NUOQXTNQXZUJEZ-ZETCQYMHSA-N    		 COC(=O)[CH](C)c1cc(OC)ccn1; CC(c1cc(ccn1
    )OC)C(=O)OC; C[C@@H](c1cc(ccn1)OC)C(=O)O
    C; COC(=O)[C@@H](C)c1cc(OC)ccn1    		 methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
    36330 SQW 1 C15 H17 N O3 InChI=1S/C15H17NO3/c1-11(
    2)19-15(18)8-7-14(17)16-1
    0-9-12-5-3-4-6-13(12)16/h
    3-6,9-11H,7-8H2,1-2H3;
    VNSAQZLLFVPFAT-UHFFFAOYSA-N    		 CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2; CC(C)OC
    (=O)CCC(=O)n1ccc2ccccc12    		 propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
    36331 SQX
    ZINC000263621369    		 20 C42 H63 N O7 InChI=1S/C42H63NO7/c1-25-
    9-8-10-37-40(23-28(4)29(5
    )24-43-37)15-13-33(36-21-
    27(3)38(45)47-36)30(6)34(
    40)20-26(2)35(44)22-32-12
    -16-41(48-32)17-18-42(50-
    41)39(7,46)14-11-31(19-25
    )49-42/h20,27-29,31-32,34
    -36,44,46H,1,8-19,21-24H2
    ,2-7H3/b26-20+/t27-,28-,2
    9-,31-,32-,34-,35-,36-,39
    +,40+,41+,42+/m0/s1;
    ZYHQDUISTPEIAX-CHFLCUNXSA-N    		 O=C7OC(C4=C(C)C3C=C(C)C(O)CC6OC5(OC1(OC(
    CCC1(O)C)CC(=C)\CCCC2=NCC(C)C(C)CC23CC4)
    CC5)CC6)CC7C; CC1CC(OC1=O)C2=C(C3C=C(C(C
    C4CCC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC7=N
    CC(C(CC37CC2)C)C)(C)O)O)C)C; C[C@H]1C[C@
    H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]
    4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)
    CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)
    C)(C)O)O)/C)C; C[CH]1CN=C2CCCC(=C)C[CH]3
    CC[C](C)(O)[C]4(CC[C]5(CC[CH](C[CH](O)C(
    =C[CH]6C(=C(CC[C]26C[CH]1C)[CH]7C[CH](C)
    C(=O)O7)C)C)O5)O4)O3; C[C@H]1CN=C2CCCC(=
    C)C[C@@H]3CC[C@@](C)(O)[C@]4(CC[C@@]5(CC
    [C@@H](C[C@H](O)C(=C/[C@H]6C(=C(CC[C@]26
    C[C@@H]1C)[C@@H]7C[C@H](C)C(=O)O7)C)/C)O
    5)O4)O3    		 13-DESMETHYL SPIROLIDE C
    36332 SQY 1 C15 H14 Br N O2 InChI=1S/C15H14BrNO2/c1-1
    9-15(18)14(12-6-8-17-9-7-
    12)10-11-2-4-13(16)5-3-11
    /h2-9,14H,10H2,1H3/t14-/m
    1/s1;
    FZQHFNVUFKNKLS-CQSZACIVSA-N    		 COC(=O)C(Cc1ccc(cc1)Br)c2ccncc2; COC(=O)
    [C@H](Cc1ccc(cc1)Br)c2ccncc2; COC(=O)[CH
    ](Cc1ccc(Br)cc1)c2ccncc2; COC(=O)[C@H](C
    c1ccc(Br)cc1)c2ccncc2    		 methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
    36333 SQZ
    CHEMBL4083249    		 2 C24 H16 F N5 O InChI=1S/C24H16FN5O/c1-14
    (15-2-6-18(25)7-3-15)30-2
    4-19-10-16(4-8-20(19)26-1
    2-22(24)28-29-30)17-5-9-2
    3-21(11-17)27-13-31-23/h2
    -14H,1H3/t14-/m0/s1;
    BHKVSOQUPYXVRZ-AWEZNQCLSA-N    		 C[CH](n1nnc2cnc3ccc(cc3c12)c4ccc5ocnc5c4
    )c6ccc(F)cc6; CC(c1ccc(cc1)F)n2c3c4cc(cc
    c4ncc3nn2)c5ccc6c(c5)nco6; C[C@H](n1nnc2
    cnc3ccc(cc3c12)c4ccc5ocnc5c4)c6ccc(F)cc6
    ; C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3n
    n2)c5ccc6c(c5)nco6    		 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole;
    (S)-5-(1-(1-(4-fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole
    36334 SR 16 Sr InChI=1S/Sr/q+2;
    PWYYWQHXAPXYMF-UHFFFAOYSA-N    		 [Sr++]; [Sr+2] STRONTIUM ION
    36335 SR0 0 C7 H22 N3 InChI=1S/C7H19N3/c8-4-1-2
    -6-10-7-3-5-9/h10H,1-9H2/
    p+3;
    ATHGHQPFGPMSJY-UHFFFAOYSA-Q    		 [NH3+]CCCC[NH2+]CCC[NH3+]; C(CC[NH2+]CCC
    [NH3+])C[NH3+]    		 N~1~-(3-azaniumylpropyl)butane-1,4-diaminium;
    spermidine, fully protonated form
    36336 SR1 10 C6 H12 O4 S InChI=1S/C6H12O4S/c1-11-2
    -3-4(7)5(8)6(9)10-3/h3-9H
    ,2H2,1H3/t3-,4-,5-,6+/m1/
    s1;
    OLVVOVIFTBSBBH-KAZBKCHUSA-N    		 CSCC1C(C(C(O1)O)O)O; CSC[C@@H]1[C@H]([C@
    H]([C@H](O1)O)O)O; OC1C(OC(O)C1O)CSC; CS
    C[CH]1O[CH](O)[CH](O)[CH]1O; CSC[C@H]1O[
    C@H](O)[C@H](O)[C@@H]1O    		 5-S-methyl-5-thio-alpha-D-ribofuranose;
    5-S-methyl-5-thio-alpha-D-ribose;
    5-S-methyl-5-thio-D-ribose;
    5-S-methyl-5-thio-ribose
    36337 SR2
    CHEMBL94061
    DB08564
    ZINC000001494103    		 5 C20 H20 Br N5 O InChI=1S/C20H20BrN5O/c1-2
    6(2)10-4-7-19(27)24-16-8-
    9-18-17(12-16)20(23-13-22
    -18)25-15-6-3-5-14(21)11-
    15/h3-9,11-13H,10H2,1-2H3
    ,(H,24,27)(H,22,23,25)/b7
    -4+;
    ZCIXBBSRVLSRJQ-QPJJXVBHSA-N    		 CN(C)CC=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)
    c2c1; CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)N
    c3cccc(c3)Br; Brc1cccc(c1)Nc3ncnc2c3cc(c
    c2)NC(=O)/C=C/CN(C)C; CN(C)C\C=C\C(=O)Nc
    1ccc2ncnc(Nc3cccc(Br)c3)c2c1    		 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
    36338 SR3 1 C10 H16 N2 O8 S InChI=1S/C10H16N2O8S/c1-1
    0(21(18)19,9(17)20-5-6(11
    )14)7(8(15)16)12-3-2-4-13
    /h2-4,7,12,18-19,21H,5H2,
    1H3,(H2,11,14)(H,15,16)/b
    3-2+/t7-,10+/m0/s1;
    MGCULWRADYDHMU-SSWUGZLXSA-N    		 CC(C(C(=O)O)NC=CC=O)(C(=O)OCC(=O)N)S(O)O
    ; O=C(O)C(N\C=C\C=O)C(C(=O)OCC(=O)N)(C)S
    (O)O; C[C]([CH](NC=CC=O)C(O)=O)([SH](O)O
    )C(=O)OCC(N)=O; C[C@]([C@@H](N\C=C\C=O)C
    (O)=O)([SH](O)O)C(=O)OCC(N)=O; C[C@@]([C
    @H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)
    O    		 (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid
    36339 SR4 1 C11 H10 O3 InChI=1S/C11H10O3/c12-11(
    13)9-5-3-7-14-10-6-2-1-4-
    8(9)10/h1-2,4-6H,3,7H2,(H
    ,12,13);
    LEBOEWTWNOALHV-UHFFFAOYSA-N    		 OC(=O)C1=CCCOc2ccccc12; c1ccc2c(c1)C(=CC
    CO2)C(=O)O    		 2,3-dihydro-1-benzoxepine-5-carboxylic acid
    36340 SR5
    CHEMBL508044
    ZINC000040848549    		 1 C27 H27 Cl N4 O5 InChI=1S/C27H27ClN4O5/c1-
    15(2)12-20(27(34)35)30-26
    (33)19-14-22(25-23(36-3)6
    -5-7-24(25)37-4)32(31-19)
    21-10-11-29-18-13-16(28)8
    -9-17(18)21/h5-11,13-15,2
    0H,12H2,1-4H3,(H,30,33)(H
    ,34,35)/t20-/m0/s1;
    ZQUSYVORYNBGLG-FQEVSTJZSA-N    		 COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34
    )C(=O)N[C@@H](CC(C)C)C(O)=O; CC(C)C[C@@H
    ](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3
    )Cl)c4c(cccc4OC)OC; CC(C)CC(C(=O)O)NC(=O
    )c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4O
    C)OC; COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl
    )ccc34)C(=O)N[CH](CC(C)C)C(O)=O    		 (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
    36341 SR6
    CHEMBL39541
    DB12730
    ZINC000095803508    		 1 C42 H68 N6 O6 S InChI=1S/C42H68N6O6S/c1-1
    3-28(6)37(47(10)42(52)35(
    26(2)3)45-40(51)36(27(4)5
    )46(8)9)33(53-11)25-34(49
    )48-22-17-20-32(48)38(54-
    12)29(7)39(50)44-31(41-43
    -21-23-55-41)24-30-18-15-
    14-16-19-30/h14-16,18-19,
    21,23,26-29,31-33,35-38H,
    13,17,20,22,24-25H2,1-12H
    3,(H,44,50)(H,45,51)/t28-
    ,29+,31-,32-,33+,35-,36-,
    37-,38+/m0/s1;
    OFDNQWIFNXBECV-VFSYNPLYSA-N    		 CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]
    1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)
    c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O
    )[C@H](C(C)C)N(C)C; CC[C@H](C)[C@@H]([C@
    @H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C
    (=O)N[C@@H](Cc2ccccc2)c3sccn3)OC)N(C)C(=
    O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C;
    CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](
    OC)[CH](C)C(=O)N[CH](Cc2ccccc2)c3sccn3)O
    C)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C)C
    (C)C; CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)
    NC(Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)C(C(
    C)C)NC(=O)C(C(C)C)N(C)C; O=C(NC(Cc1ccccc
    1)c1nccs1)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C
    (C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C
    )C    		 dolastatin-10;
    N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
    36342 SR7
    CHEMBL257991
    DB17057
    ZINC000029043612    		 12 C25 H23 N7 O S InChI=1S/C25H23N7OS/c33-2
    4(22-13-27-20-7-3-4-8-21(
    20)28-22)29-19-6-2-1-5-18
    (19)23-15-32-17(16-34-25(
    32)30-23)14-31-11-9-26-10
    -12-31/h1-8,13,15-16,26H,
    9-12,14H2,(H,29,33);
    IASPBORHOMBZMY-UHFFFAOYSA-N    		 O=C(c1nc2c(nc1)cccc2)Nc6c(c3nc4scc(n4c3)
    CN5CCNCC5)cccc6; c1ccc(c(c1)c2cn3c(csc3n
    2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5; O=C(Nc
    1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccc
    cc6n5    		 N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
    36343 SR8
    CHEMBL166031
    ZINC000000602848    		 2 C19 H20 N4 O3 InChI=1S/C19H20N4O3/c1-19
    (2,3)16-12-17(23-26-16)22
    -18(24)21-13-4-6-14(7-5-1
    3)25-15-8-10-20-11-9-15/h
    4-12H,1-3H3,(H2,21,22,23,
    24);
    XKNAGLMNQADBQE-UHFFFAOYSA-N    		 CC(C)(C)c1onc(NC(=O)Nc2ccc(Oc3ccncc3)cc2
    )c1; CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)O
    c3ccncc3    		 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA
    36344 SR9 1 C24 H23 N3 O5 S InChI=1S/C24H23N3O5S/c1-1
    5(2)13-19(24(29)30)26-23(
    28)18-14-27(20-10-4-3-9-1
    7(18)20)33(31,32)21-11-5-
    7-16-8-6-12-25-22(16)21/h
    3-12,14-15,19H,13H2,1-2H3
    ,(H,26,28)(H,29,30)/t19-/
    m0/s1;
    UURBOBOYEORQRN-IBGZPJMESA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2
    )S(=O)(=O)c3cccc4c3nccc4; CC(C)CC(C(=O)O
    )NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3
    nccc4; CC(C)C[C@H](NC(=O)c1cn(c2ccccc12)
    [S](=O)(=O)c3cccc4cccnc34)C(O)=O; CC(C)C
    [CH](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3c
    ccc4cccnc34)C(O)=O    		 (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
    36345 SRA
    CHEMBL574816    		 11 C10 H14 N5 O6 P S InChI=1S/C10H14N5O6PS/c11
    -8-5-9(13-2-12-8)15(3-14-
    5)10-7(17)6(16)4(21-10)1-
    20-22(18,19)23/h2-4,6-7,1
    0,16-17H,1H2,(H2,11,12,13
    )(H2,18,19,23)/t4-,6-,7-,
    10-/m1/s1;
    UBCPYVAQZGCDJO-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=S)(O)O
    )O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]
    (O)(O)=S)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn
    2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O
    )O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](
    CO[P](O)(O)=S)[C@@H](O)[C@H]3O; S=P(O)(O
    )OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O    		 ADENOSINE -5'-THIO-MONOPHOSPHATE
    36346 SRB
    DB08565
    ZINC000169748510    		 1 C14 H17 B N O4 InChI=1S/C14H17BNO4/c1-10
    (17)16-14(15(18,19)20)9-1
    2-7-4-6-11-5-2-3-8-13(11)
    12/h2-8,14,18-20H,9H2,1H3
    ,(H,16,17)/q-1/t14-/m0/s1;
    XDFLCBUAVBYWFW-AWEZNQCLSA-N    		 [B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O;
    [B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O
    )O; CC(=O)N[C@@H](Cc1cccc2ccccc12)[B-](O
    )(O)O; CC(=O)N[CH](Cc1cccc2ccccc12)[B-](
    O)(O)O; O=C(NC([B-](O)(O)O)Cc2cccc1ccccc
    12)C    		 L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
    36347 SRC 1 C11 H20 N5 O14 P3 InChI=1S/C11H20N5O14P3/c1
    -15-3-16(8-5(15)9(19)14-1
    1(12)13-8)10-7(18)6(17)4(
    28-10)2-27-32(23,24)30-33
    (25,26)29-31(20,21)22/h4,
    6-7,10,17-18H,2-3H2,1H3,(
    H,23,24)(H,25,26)(H2,20,2
    1,22)(H3,12,13,14,19)/t4-
    ,6-,7+,10-/m1/s1;
    BUJQMJUTTBGELS-UHTZMRCNSA-N    		 CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(
    =O)(O)OP(=O)(O)OP(=O)(O)O)O)O; CN1CN([CH
    ]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O
    )=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N; CN
    1CN([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O
    )O[P](O)(O)=O)[C@@H](O)[C@@H]2O)C3=C1C(=
    O)NC(=N3)N; CN1CN(C2=C1C(=O)NC(=N2)N)[C@
    H]3C([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)
    OP(=O)(O)O)O)O    		 [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    36348 SRD
    DB08566
    ZINC000169748511    		 1 C14 H17 B N O4 InChI=1S/C14H17BNO4/c1-10
    (17)16-14(15(18,19)20)9-1
    2-7-4-6-11-5-2-3-8-13(11)
    12/h2-8,14,18-20H,9H2,1H3
    ,(H,16,17)/q-1/t14-/m1/s1;
    XDFLCBUAVBYWFW-CQSZACIVSA-N    		 [B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O;
    CC(=O)N[C@H](Cc1cccc2ccccc12)[B-](O)(O)O
    ; CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)
    O; O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C;
    [B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)
    (O)O    		 D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
    36349 SRE
    CHEMBL809
    DB01104
    ZINC000001853550    		 7 C17 H17 Cl2 N InChI=1S/C17H17Cl2N/c1-20
    -17-9-7-12(13-4-2-3-5-14(
    13)17)11-6-8-15(18)16(19)
    10-11/h2-6,8,10,12,17,20H
    ,7,9H2,1H3/t12-,17-/m0/s1;
    VGKDLMBJGBXTGI-SJCJKPOMSA-N    		 CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)
    Cl; CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3
    ccccc13; CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl
    )Cl; Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3;
    CN[CH]1CC[CH](c2ccc(Cl)c(Cl)c2)c3ccccc1
    3    		 (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;
    Sertraline
    36350 SRF 1 C27 H42 F2 O2 InChI=1S/C27H42F2O2/c1-18
    -8-11-22(30)17-21(18)10-9
    -20-7-6-15-26(5)23(12-13-
    24(20)26)19(2)14-16-27(28
    ,29)25(3,4)31/h9-10,19,22
    -24,30-31H,1,6-8,11-17H2,
    2-5H3/b20-9+,21-10-/t19-,
    22+,23-,24+,26-/m1/s1;
    LRNVEDCUBISUTC-CMOHYRQESA-N    		 C[C@H](CCC(C(C)(C)O)(F)F)[C@H]1CC[C@@H]\
    2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
    ; C[CH](CCC(F)(F)C(C)(C)O)[CH]1CC[CH]2C(
    CCC[C]12C)=CC=C3C[CH](O)CCC3=C; C[C@H](C
    CC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@
    ]12C)=C\C=C/3C[C@@H](O)CCC/3=C; CC(CCC(C
    (C)(C)O)(F)F)C1CCC2C1(CCCC2=CC=C3CC(CCC3
    =C)O)C    		 (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
    36351 SRG
    ZINC000263620998    		 11 C24 H39 N5 O6 InChI=1S/C24H39N5O6/c1-13
    (2)16-10-11-18(30)25-12-8
    -7-9-17(21(31)26-16)27-22
    (32)19(14(3)4)28-24(35)29
    -20(15(5)6)23(33)34/h7,9-
    11,13-17,19-20H,8,12H2,1-
    6H3,(H,25,30)(H,26,31)(H,
    27,32)(H,33,34)(H2,28,29,
    35)/b9-7+,11-10?/t16-,17+
    ,19+,20+/m1/s1;
    RUWSLQOIGKYPEZ-XQGFKOBESA-N    		 CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N
    1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)
    C(=O)O; CC(C)[CH]1NC(=O)[CH](NC(=O)[CH](
    NC(=O)N[CH](C(C)C)C(O)=O)C(C)C)C=CCCNC(=
    O)C=C1; CC(C)C1C=CC(=O)NCCC=CC(C(=O)N1)N
    C(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O; O=C(
    O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCC
    C=C1)C(C)C)C(C)C)C(C)C; CC(C)[C@@H]\1NC(
    =O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C
    )C)C(O)=O)C(C)C)/C=C/CCNC(=O)/C=C\1    		 (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid;
    Syringolin A
    36352 SRH
    CHEMBL5078750
    ZINC000002697813    		 1 C14 H17 N O3 InChI=1S/C14H17NO3/c1-2-1
    8-14(17)8-7-13(16)15-10-9
    -11-5-3-4-6-12(11)15/h3-6
    H,2,7-10H2,1H3;
    YTMPPLAKDQKOFM-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2ccccc12; CCOC(=O)CC
    C(=O)N1CCc2c1cccc2    		 ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
    36353 SRI 0 C3 H5 N O3 InChI=1S/C3H5NO3/c4-2(1-5
    )3(6)7/h4-5H,1H2,(H,6,7)/
    b4-2+;
    MUHXUPVPXJXCGV-DUXPYHPUSA-N    		 [H]/N=C(\CO)/C(=O)O; OCC(=N)C(O)=O; C(C(
    =N)C(=O)O)O; O=C(O)C(=[N@H])CO    		 (2Z)-3-HYDROXY-2-IMINOPROPANOIC ACID;
    IMINO-SERINE
    36354 SRJ 1 C18 H25 N O2 InChI=1S/C18H25NO2/c20-16
    (14-4-2-1-3-5-14)17-18(21
    )10-8-15(9-11-18)19(17)12
    -13-6-7-13/h1-5,13,15-17,
    20-21H,6-12H2/t15-,16-,17
    -,18-/m0/s1;
    DSFDQDMNXHLFAV-XSLAGTTESA-N    		 O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc
    4; c1ccc(cc1)C(C2C3(CCC(N2CC4CC4)CC3)O)O
    ; c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4
    )CC3)O)O; O[C@H]([C@@H]1N(CC2CC2)C3CCC1(
    O)CC3)c4ccccc4    		 (3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
    36355 SRK
    CHEMBL357516
    ZINC000000143134    		 2 C12 H13 N O3 InChI=1S/C12H13NO3/c14-11
    (5-6-12(15)16)13-8-7-9-3-
    1-2-4-10(9)13/h1-4H,5-8H2
    ,(H,15,16);
    SWNRXQYQTQVWKA-UHFFFAOYSA-N    		 OC(=O)CCC(=O)N1CCc2ccccc12; c1ccc2c(c1)C
    CN2C(=O)CCC(=O)O    		 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
    36356 SRL
    CHEMBL458767
    DB04466
    ZINC000003799969    		 7 C24 H42 O7 P2 InChI=1S/C24H42O7P2/c1-11
    -28-32(26,29-12-2)21(33(2
    7,30-13-3)31-14-4)17-18-1
    5-19(23(5,6)7)22(25)20(16
    -18)24(8,9)10/h15-17,25H,
    11-14H2,1-10H3;
    YQLJDECYQDRSBI-UHFFFAOYSA-N    		 O=P(OCC)(OCC)/C(=C\c1cc(c(O)c(c1)C(C)(C)
    C)C(C)(C)C)P(=O)(OCC)OCC; CCOP(=O)(C(=Cc
    1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC
    )OCC)OCC; CCO[P](=O)(OCC)C(=Cc1cc(c(O)c(
    c1)C(C)(C)C)C(C)(C)C)[P](=O)(OCC)OCC    		 [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER;
    SR12813
    36357 SRM 184 C42 H44 Fe N4 O16 InChI=1S/C42H46N4O16.Fe/c
    1-41(17-39(59)60)23(5-9-3
    5(51)52)29-14-27-21(11-37
    (55)56)19(3-7-33(47)48)25
    (43-27)13-26-20(4-8-34(49
    )50)22(12-38(57)58)28(44-
    26)15-31-42(2,18-40(61)62
    )24(6-10-36(53)54)30(46-3
    1)16-32(41)45-29;/h13-16,
    23-24H,3-12,17-18H2,1-2H3
    ,(H10,43,44,45,46,47,48,4
    9,50,51,52,53,54,55,56,57
    ,58,59,60,61,62);/q;+2/p-
    2/t23?,24-,41+,42+;/m1./s
    1;
    DLKSSIHHLYNIKN-MWBYXLBFSA-L    		 C[C@@]1(C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36N7C
    (=C5)C(=C(C7=CC8=[N]6C(=C2)[C@@](C8CCC(=
    O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O
    )CC(=O)O)CCC(=O)O)CC(=O)O; O=C(O)CCC=6C7
    =Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(
    C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O
    )O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=
    O)O; CC1(C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36N7
    C(=C5)C(=C(C7=CC8=[N]6C(=C2)C(C8CCC(=O)O
    )(C)CC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC
    (=O)O)CCC(=O)O)CC(=O)O; C[C@]1(CC(O)=O)[
    C@@H](CCC(O)=O)C2=NC1=CC3=NC(=Cc4n5[Fe][
    N@@]6C(=C2)C(=C(CCC(O)=O)C6=Cc5c(CCC(O)=
    O)c4CC(O)=O)CC(O)=O)[C@@](C)(CC(O)=O)[C@
    @H]3CCC(O)=O; C[C]1(CC(O)=O)[CH](CCC(O)=
    O)C2=NC1=CC3=NC(=Cc4n5[Fe][N]6C(=C2)C(=C
    (CCC(O)=O)C6=Cc5c(CCC(O)=O)c4CC(O)=O)CC(
    O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O    		 SIROHEME
    36358 SRN
    ZINC000255256293    		 6 C47 H66 O11 InChI=1S/C47H66O11/c1-30(
    17-14-15-23-44(50)51)27-3
    1(2)47-40-26-25-34(54-47)
    18-10-6-5-7-11-19-35(48)4
    6(53)43-28-36(49)32(3)37(
    56-43)21-16-22-38-33(4)41
    -29-42(55-38)39(57-41)20-
    12-8-9-13-24-45(52)58-40/
    h6,8-13,16,19-20,22,24-27
    ,30,32-43,46-49,53H,5,7,1
    4-15,17-18,21,23,28-29H2,
    1-4H3,(H,50,51)/b9-8-,10-
    6+,19-11+,20-12+,22-16+,2
    4-13-,31-27+/t30-,32-,33+
    ,34+,35+,36+,37-,38+,39-,
    40+,41-,42-,43-,46+,47+/m
    1/s1;
    OTABDKFPJQZJRD-QLGZCQHWSA-N    		 C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[
    C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@
    H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([
    C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H]
    (C)CCCCC(=O)O)/C)C; CC1C2CC=CC3C(C4CC(O3
    )C(O4)C=CC=CC=CC(=O)OC5C=CC(CC=CCCC=CC(C
    (C(O2)CC1O)O)O)OC5C(=CC(C)CCCCC(=O)O)C)C
    ; C[CH](CCCCC(O)=O)C=C(C)[CH]1O[CH]2CC=C
    CCC=C[CH](O)[CH](O)[CH]3C[CH](O)[CH](C)[
    CH](CC=C[CH]4O[CH]5C[CH](O[CH]5C=CC=CC=C
    C(=O)O[CH]1C=C2)[CH]4C)O3; C[C@H](CCCCC(
    O)=O)\C=C(/C)[C@@H]1O[C@H]2C\C=C\CC\C=C\
    [C@H](O)[C@H](O)[C@H]3C[C@H](O)[C@@H](C)
    [C@@H](C\C=C\[C@@H]4O[C@@H]5C[C@@H](O[C@
    @H]5\C=C\C=C/C=C\C(=O)O[C@H]1C=C2)[C@H]4
    C)O3; O=C2OC1C=CC(OC1C(=C/C(C)CCCCC(=O)O
    )/C)CC=CCCC=CC(O)C(O)C5OC(CC=CC4OC3CC(OC
    3C=CC=CC=C2)C4C)C(C)C(O)C5    		 SORANGICIN A
    36359 SRO
    CHEMBL39
    DB08839
    ZINC000000057058    		 147 C10 H12 N2 O InChI=1S/C10H12N2O/c11-4-
    3-7-6-12-10-2-1-8(13)5-9(
    7)10/h1-2,5-6,12-13H,3-4,
    11H2;
    QZAYGJVTTNCVMB-UHFFFAOYSA-N    		 c1cc2c(cc1O)c(c[nH]2)CCN; Oc1cc2c(cc1)nc
    c2CCN; NCCc1c[nH]c2ccc(O)cc12    		 SEROTONIN;
    3-(2-AMINOETHYL)-1H-INDOL-5-OL
    36360 SRP
    ZINC000013537861    		 3 C13 H19 N6 O9 P InChI=1S/C13H19N6O9P/c14-
    5(1-20)13(23)28-29(24,25)
    26-2-6-8(21)9(22)12(27-6)
    19-4-18-7-10(15)16-3-17-1
    1(7)19/h3-6,8-9,12,20-22H
    ,1-2,14H2,(H,24,25)(H2,15
    ,16,17)/t5-,6+,8+,9+,12+/
    m0/s1;
    UVSYURUCZPPUQD-MACXSXHHSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N;
    O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(
    O)C3O)C(N)CO; c1nc(c2c(n1)n(cn2)C3C(C(C(
    O3)COP(=O)(O)OC(=O)C(CO)N)O)O)N; N[CH](C
    O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[C
    H]1O)n2cnc3c(N)ncnc23; N[C@@H](CO)C(=O)O
    [P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]
    1O)n2cnc3c(N)ncnc23    		 SERYL ADENYLATE
    36361 SRQ
    CHEMBL5072324    		 1 C14 H15 F2 N O3 InChI=1S/C14H15F2NO3/c15-
    12(16)9-20-14(19)6-5-13(1
    8)17-8-7-10-3-1-2-4-11(10
    )17/h1-4,12H,5-9H2;
    ZBGADGOMZKMKIY-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F; FC(F
    )COC(=O)CCC(=O)N1CCc2ccccc12    		 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
    36362 SRR
    ZINC000095921173    		 0 C24 H24 O3 InChI=1S/C24H24O3/c1-3-23
    (17-9-15-22(16-10-17)27-4
    -2)24(18-5-11-20(25)12-6-
    18)19-7-13-21(26)14-8-19/
    h5-16,25-26H,3-4H2,1-2H3;
    WLSRFYXWWMCGQI-UHFFFAOYSA-N    		 CCOc1ccc(cc1)C(CC)=C(c2ccc(O)cc2)c3ccc(O
    )cc3; O(c1ccc(cc1)/C(=C(/c2ccc(O)cc2)c3c
    cc(O)cc3)CC)CC; CCC(=C(c1ccc(cc1)O)c2ccc
    (cc2)O)c3ccc(cc3)OCC    		 4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol
    36363 SRS
    ZINC000003871027    		 1 C25 H39 N5 O2 S InChI=1S/C25H39N5O2S/c1-1
    8(2)14-20(17-33(3,26)27)2
    4(31)29-22-15-19-16-30(23
    -11-7-6-10-21(19)23)13-9-
    5-4-8-12-28-25(22)32/h6-7
    ,10-11,16,18,20,22,26-27H
    ,4-5,8-9,12-15,17H2,1-3H3
    ,(H,28,32)(H,29,31)/t20-,
    22+/m1/s1;
    MQEMTMGYPYUQLH-IRLDBZIGSA-N    		 CC(C)CC(CS(=N)(=N)C)C(=O)NC1Cc2cn(c3c2cc
    cc3)CCCCCCNC1=O; O=C(NC3C(=O)NCCCCCCn2c1
    ccccc1c(c2)C3)C(CS(=N)(=N)C)CC(C)C; CC(C
    )C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3
    c2cccc3)CCCCCCNC1=O; CC(C)C[CH](C[S](C)(
    =N)=N)C(=O)N[CH]1Cc2cn(CCCCCCNC1=O)c3ccc
    cc23; CC(C)C[C@H](C[S](C)(=N)=N)C(=O)N[C
    @H]1Cc2cn(CCCCCCNC1=O)c3ccccc23    		 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
    36364 SRT
    CHEMBL225983
    DB14756
    ZINC000000895297    		 0 C4 H6 O6 InChI=1S/C4H6O6/c5-1(3(7)
    8)2(6)4(9)10/h1-2,5-6H,(H
    ,7,8)(H,9,10)/t1-,2+;
    FEWJPZIEWOKRBE-XIXRPRMCSA-N    		 O=C(O)C(O)C(O)C(=O)O; C(C(C(=O)O)O)(C(=O
    )O)O; O[C@@H]([C@@H](O)C(O)=O)C(O)=O; O[
    CH]([CH](O)C(O)=O)C(O)=O; [C@H]([C@H](C(
    =O)O)O)(C(=O)O)O    		 S,R MESO-TARTARIC ACID
    36365 SRU
    ZINC000035857412    		 1 C19 H20 N2 O3 InChI=1S/C19H20N2O3/c1-13
    (22)21-17(12-16(20-21)14-
    7-5-4-6-8-14)15-9-10-18(2
    3-2)19(11-15)24-3/h4-11,1
    7H,12H2,1-3H3/t17-/m0/s1;
    FOIXJKJVLPARQZ-KRWDZBQOSA-N    		 CC(=O)N1[C@@H](CC(=N1)c2ccccc2)c3ccc(c(c
    3)OC)OC; CC(=O)N1C(CC(=N1)c2ccccc2)c3ccc
    (c(c3)OC)OC; O=C(C)N1N=C(CC1c1ccc(OC)c(O
    C)c1)c1ccccc1; COc1ccc(cc1OC)[CH]2CC(=NN
    2C(C)=O)c3ccccc3; COc1ccc(cc1OC)[C@@H]2C
    C(=NN2C(C)=O)c3ccccc3    		 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
    36366 SRV 2 C45 H84 O11 InChI=1S/C45H84O11/c1-4-6
    -8-10-12-13-14-15-16-17-1
    8-19-25-29-33-39(47)55-37
    (35-54-45-42(50)40(48)41(
    49)43(56-45)44(51)52)34-5
    3-38(46)32-28-24-21-20-23
    -27-31-36(3)30-26-22-11-9
    -7-5-2/h36-37,40-43,45,48
    -50H,4-35H2,1-3H3,(H,51,5
    2)/t36-,37+,40-,41-,42+,4
    3-,45-/m0/s1;
    GTQHUJVSZUDBBM-ASILJYLZSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)C
    (=O)O)O)O)O)COC(=O)CCCCCCCCC(C)CCCCCCCC;
    CCCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH]
    ([CH](O)[CH](O)[CH]1O)C(O)=O)COC(=O)CCCC
    CCCC[CH](C)CCCCCCCC; CCCCCCCCCCCCCCCCC(=
    O)O[C@@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H]
    (O)[C@H]1O)C(O)=O)COC(=O)CCCCCCCC[C@@H](
    C)CCCCCCCC; OC1C(O)C(O)C(OC1C(O)=O)OCC(C
    OC(=O)CCCCCCCCC(CCCCCCCC)C)OC(=O)CCCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCCC(=O)O[C@@H](
    CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(
    =O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCC
    CCC    		 (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid
    36367 SRW
    CHEMBL4576388    		 7 C26 H31 F N4 O2 InChI=1S/C26H31FN4O2/c1-3
    0(15-16-32)19-7-8-22-21(1
    7-19)24(29-25(28-22)26(27
    )11-12-26)31-13-9-18(10-1
    4-31)20-5-3-4-6-23(20)33-
    2/h3-8,17-18,32H,9-16H2,1
    -2H3;
    BLWXTJQMEBQCIZ-UHFFFAOYSA-N    		 CN(CCO)c1ccc2c(c1)c(nc(n2)C3(CC3)F)N4CCC
    (CC4)c5ccccc5OC; COc1ccccc1C2CCN(CC2)c3n
    c(nc4ccc(cc34)N(C)CCO)C5(F)CC5; COc5c(C4
    CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC
    4)cccc5    		 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol
    36368 SRX 1 C30 H34 Cl N4 O3 Ru S InChI=1S/C18H16N4O3S.C12H
    18.ClH.Ru/c19-26(24,25)14
    -9-7-13(8-10-14)18(23)22-
    17(15-5-1-3-11-20-15)16-6
    -2-4-12-21-16;1-7-8(2)10(
    4)12(6)11(5)9(7)3;;/h1-12
    ,17H,(H,22,23)(H2,19,24,2
    5);1-6H3;1H;/q;;;+3/p-1;
    QUFOPYMQVADRIK-UHFFFAOYSA-M    		 O=S(=O)(N)c1ccc(cc1)C(=O)NC4c2[n+](cccc2
    )[Ru]%10%109876([n+]3ccccc34)C5(C%10(C9(
    C8(C7(C)C56C)C)C)C)C; CC1|2C|3(C)C|4(C)C
    |5(C)C|6(C)C1(C)|[Ru]7|2|3|4|5|6(Cl)[n+]
    8ccccc8[C@H](NC(=O)c9ccc(cc9)[S](N)(=O)=
    O)c%10cccc[n+]7%10; CC12C3([Ru]14567(C2(
    C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cc
    cc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C; CC1
    |2C|3(C)C|4(C)C|5(C)C|6(C)C1(C)|[Ru]7|2|
    3|4|5|6(Cl)[n+]8ccccc8[CH](NC(=O)c9ccc(c
    c9)[S](N)(=O)=O)c%10cccc[n+]7%10    		 chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)
    36369 SRY
    CHEMBL372795
    DB01082
    ZINC000008214681    		 25 C21 H39 N7 O12 InChI=1S/C21H39N7O12/c1-5
    -21(36,4-30)16(40-17-9(26
    -2)13(34)10(31)6(3-29)38-
    17)18(37-5)39-15-8(28-20(
    24)25)11(32)7(27-19(22)23
    )12(33)14(15)35/h4-18,26,
    29,31-36H,3H2,1-2H3,(H4,2
    2,23,27)(H4,24,25,28)/t5-
    ,6-,7+,8-,9-,10-,11+,12-,
    13-,14+,15+,16-,17-,18-,2
    1+/m0/s1;
    UCSJYZPVAKXKNQ-HZYVHMACSA-N    		 CN[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]
    2[CH](O[CH](C)[C]2(O)C=O)O[CH]3[CH](O)[C
    H](O)[CH](NC(N)=N)[CH](O)[CH]3NC(N)=N; [
    H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C
    @@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H]
    (O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([
    C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O; CN[C
    @H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C
    @H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3
    [C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)
    [C@@H]3NC(N)=N; CC1C(C(C(O1)OC2C(C(C(C(C
    2O)O)NC(=N)N)O)NC(=N)N)OC3C(C(C(C(O3)CO)
    O)O)NC)(C=O)O; O=CC3(O)C(OC1OC(C(O)C(O)C
    1NC)CO)C(OC2C(NC(=[N@H])N)C(O)C(NC(=[N@H
    ])N)C(O)C2O)OC3C    		 STREPTOMYCIN;
    STREPTOMYCIN A
    36370 SRZ
    ZINC000098209424    		 0 C6 H13 N O4 InChI=1S/C6H13NO4/c7-5(6(
    9)10)4-11-3-1-2-8/h5,8H,1
    -4,7H2,(H,9,10)/t5-/m0/s1;
    KFPUJRQDAHENFU-YFKPBYRVSA-N    		 N[C@@H](COCCCO)C(O)=O; C(CO)COC[C@@H](C(
    =O)O)N; O=C(O)C(N)COCCCO; N[CH](COCCCO)C
    (O)=O; C(CO)COCC(C(=O)O)N    		 PROPOXY-L-SERINE
    36371 SS0
    ZINC000013675187    		 0 C18 H29 N5 O InChI=1S/C18H29N5O/c1-21(
    2)8-5-9-23-17-14-10-13(11
    -22(3)4)12-24-16(14)7-6-1
    5(17)20-18(23)19/h6-7,13H
    ,5,8-12H2,1-4H3,(H2,19,20
    )/t13-/m1/s1;
    HTUXJUVSTFSWOD-CYBMUJFWSA-N    		 CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)n
    c1N; CN(C)CCCn1c(N)nc2ccc3OC[CH](CN(C)C)
    Cc3c12; n3c2ccc1OCC(Cc1c2n(c3N)CCCN(C)C)
    CN(C)C; CN(C)CCCn1c2c(ccc3c2CC(CO3)CN(C)
    C)nc1N; CN(C)CCCn1c(N)nc2ccc3OC[C@@H](CN
    (C)C)Cc3c12    		 (8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine
    36372 SS1
    CHEMBL348446
    ZINC000000896625    		 2 C8 H10 O InChI=1S/C8H10O/c1-7(9)8-
    5-3-2-4-6-8/h2-7,9H,1H3/t
    7-/m0/s1;
    WAPNOHKVXSQRPX-ZETCQYMHSA-N    		 C[C@@H](c1ccccc1)O; C[CH](O)c1ccccc1; CC
    (c1ccccc1)O; OC(c1ccccc1)C; C[C@H](O)c1c
    cccc1    		 1-PHENYLETHANOL;
    (1S)-1-PHENYL-ETHANOL
    36373 SS2
    CHEMBL151062
    DB04784
    ZINC000000896626    		 3 C8 H10 O InChI=1S/C8H10O/c1-7(9)8-
    5-3-2-4-6-8/h2-7,9H,1H3/t
    7-/m1/s1;
    WAPNOHKVXSQRPX-SSDOTTSWSA-N    		 C[CH](O)c1ccccc1; C[C@@H](O)c1ccccc1; CC
    (c1ccccc1)O; C[C@H](c1ccccc1)O; OC(c1ccc
    cc1)C    		 (1R)-1-PHENYLETHANOL;
    1-PHENYLETHANOL
    36374 SS3
    CHEMBL379218
    DB08568
    ZINC000016052569    		 1 C22 H22 N4 O InChI=1S/C22H22N4O/c1-15-
    21-11-17(7-8-22(21)26-25-
    15)18-10-20(13-24-12-18)2
    7-14-19(23)9-16-5-3-2-4-6
    -16/h2-8,10-13,19H,9,14,2
    3H2,1H3,(H,25,26)/t19-/m0
    /s1;
    BPNUQXPIQBZCMR-IBGZPJMESA-N    		 Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4
    ccccc4)N; Cc1n[nH]c2ccc(cc12)c3cncc(OC[C
    H](N)Cc4ccccc4)c3; Cc1c2cc(ccc2[nH]n1)c3
    cc(cnc3)OCC(Cc4ccccc4)N; Cc1n[nH]c2ccc(c
    c12)c3cncc(OC[C@@H](N)Cc4ccccc4)c3; n2c(
    c1cc(ccc1n2)c4cc(OCC(N)Cc3ccccc3)cnc4)C    		 (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE
    36375 SS4
    CHEMBL229855
    DB08569
    ZINC000016052570    		 1 C22 H21 Br N4 O InChI=1S/C22H21BrN4O/c1-1
    4-21-10-16(4-7-22(21)27-2
    6-14)17-9-20(12-25-11-17)
    28-13-19(24)8-15-2-5-18(2
    3)6-3-15/h2-7,9-12,19H,8,
    13,24H2,1H3,(H,26,27)/t19
    -/m0/s1;
    VLPMRZSKJUTRBQ-IBGZPJMESA-N    		 Brc1ccc(cc1)CC(N)COc4cc(c2cc3c(cc2)nnc3C
    )cnc4; Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(
    Cc4ccc(cc4)Br)N; Cc1c2cc(ccc2[nH]n1)c3cc
    (cnc3)OC[C@H](Cc4ccc(cc4)Br)N; Cc1n[nH]c
    2ccc(cc12)c3cncc(OC[CH](N)Cc4ccc(Br)cc4)
    c3; Cc1n[nH]c2ccc(cc12)c3cncc(OC[C@@H](N
    )Cc4ccc(Br)cc4)c3    		 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE
    36376 SS5
    CHEMBL226796
    ZINC000014961793    		 1 C29 H34 N4 O2 InChI=1S/C29H34N4O2/c1-20
    -28-15-23(10-11-29(28)33-
    32-20)24-14-27(17-31-16-2
    4)35-19-25(30)12-22-8-5-9
    -26(13-22)34-18-21-6-3-2-
    4-7-21/h5,8-11,13-17,21,2
    5H,2-4,6-7,12,18-19,30H2,
    1H3,(H,32,33)/t25-/m0/s1;
    MFYOLTIJRSXVBH-VWLOTQADSA-N    		 Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4cccc
    (c4)OCC5CCCCC5)N; Cc1n[nH]c2ccc(cc12)c3c
    ncc(OC[CH](N)Cc4cccc(OCC5CCCCC5)c4)c3; C
    c1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c
    ccc(c4)OCC5CCCCC5)N; O(c1cccc(c1)CC(N)CO
    c4cc(c2cc3c(cc2)nnc3C)cnc4)CC5CCCCC5; Cc
    1n[nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4cc
    cc(OCC5CCCCC5)c4)c3    		 (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
    36377 SS6
    CHEMBL497615
    ZINC000039273510    		 1 C29 H30 N8 O InChI=1S/C29H30N8O/c1-18-
    7-5-10-22(13-18)37-26(16-
    25(36-37)29(2,3)4)35-28(3
    8)34-21-9-6-8-20(15-21)33
    -27-23-14-19(30)11-12-24(
    23)31-17-32-27/h5-17H,30H
    2,1-4H3,(H,31,32,33)(H2,3
    4,35,38);
    MWDKKNFEOXEAEC-UHFFFAOYSA-N    		 Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3c
    ccc(c3)Nc4c5cc(ccc5ncn4)N; Cc1cccc(c1)n2
    nc(cc2NC(=O)Nc3cccc(Nc4ncnc5ccc(N)cc45)c
    3)C(C)(C)C; O=C(Nc3cccc(Nc2ncnc1c2cc(N)c
    c1)c3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C    		 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
    36378 SS7
    ZINC000196156617    		 1 C21 H21 N O5 InChI=1S/C21H21NO5/c1-12-
    9-16(27-15(4)23)10-13(2)1
    9(12)26-11-14(3)22-20(24)
    17-7-5-6-8-18(17)21(22)25
    /h5-10,14H,11H2,1-4H3/t14
    -/m0/s1;
    UICXIWCGDWFHDK-AWEZNQCLSA-N    		 Cc1cc(cc(c1OCC(C)N2C(=O)c3ccccc3C2=O)C)O
    C(=O)C; C[C@@H](COc1c(C)cc(OC(C)=O)cc1C)
    N2C(=O)c3ccccc3C2=O; O=C(Oc3cc(c(OCC(N2C
    (=O)c1ccccc1C2=O)C)c(c3)C)C)C; C[CH](COc
    1c(C)cc(OC(C)=O)cc1C)N2C(=O)c3ccccc3C2=O
    ; Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2
    =O)C)OC(=O)C    		 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate
    36379 SS8
    ZINC000098209425    		 1 C15 H11 N O3 InChI=1S/C15H11NO3/c17-15
    (18)12-8-13-14(16-12)11(9
    -19-13)7-6-10-4-2-1-3-5-1
    0/h1-9,16H,(H,17,18)/b7-6
    -;
    VJXSERLPOOWZGU-SREVYHEPSA-N    		 OC(=O)c1[nH]c2c(occ2\C=C/c3ccccc3)c1; c1
    ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O; OC
    (=O)c1[nH]c2c(occ2C=Cc3ccccc3)c1; O=C(O)
    c3cc2occ(\C=C/c1ccccc1)c2n3; c1ccc(cc1)C
    =Cc2coc3c2[nH]c(c3)C(=O)O    		 3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID
    36380 SS9
    CHEMBL3040253
    ZINC000096282269    		 6 C8 H20 N2 S InChI=1S/C8H20N2S/c9-5-4-
    7-10-6-2-1-3-8-11/h10-11H
    ,1-9H2;
    UEAAWEWNMXIYCA-UHFFFAOYSA-N    		 NCCCNCCCCCS; C(N)CCNCCCCCS; C(CCNCCCN)CC
    S    		 5-[(3-aminopropyl)amino]pentane-1-thiol
    36381 SSA
    CHEMBL1163070
    DB03869
    ZINC000013542770    		 41 C13 H19 N7 O8 S InChI=1S/C13H19N7O8S/c14-
    5(1-21)12(24)19-29(25,26)
    27-2-6-8(22)9(23)13(28-6)
    20-4-18-7-10(15)16-3-17-1
    1(7)20/h3-6,8-9,13,21-23H
    ,1-2,14H2,(H,19,24)(H2,15
    ,16,17)/t5-,6+,8+,9+,13+/
    m0/s1;
    HQXFJGONGJPTLZ-YTMOPEAISA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N
    ; N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]
    ([CH](O)[CH]1O)n2cnc3c(N)ncnc23; N[C@@H]
    (CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H
    ](O)[C@@H]1O)n2cnc3c(N)ncnc23; O=C(NS(=O
    )(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N
    )CO; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O
    )(=O)NC(=O)C(CO)N)O)O)N    		 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE
    36382 SSB
    DB02871    		 12 C8 H16 O S InChI=1S/C8H16OS/c1-2-3-4
    -8-5-6-10(9)7-8/h8H,2-7H2
    ,1H3/t8-,10-/m0/s1;
    QVVQIIIFHZDBDL-WPRPVWTQSA-N    		 CCCC[C@H]1CC[S@](=O)C1; CCCCC1CCS(=O)C1;
    CCCC[CH]1CC[S](=O)C1; O=S1CCC(CCCC)C1    		 3-BUTYLTHIOLANE 1-OXIDE
    36383 SSC
    DB03215    		 4 C7 H11 N O4 InChI=1S/C7H11NO4/c9-6(10
    )3-4-1-2-5(8-4)7(11)12/h4
    -5,8H,1-3H2,(H,9,10)(H,11
    ,12)/t4-,5-/m0/s1;
    LIZWYFXJOOUDNV-WHFBIAKZSA-N    		 C1CC(NC1CC(=O)O)C(=O)O; OC(=O)C[CH]1CC[C
    H](N1)C(O)=O; O=C(O)CC1NC(C(=O)O)CC1; OC
    (=O)C[C@@H]1CC[C@H](N1)C(O)=O; C1C[C@H](
    N[C@@H]1CC(=O)O)C(=O)O    		 (2S,5S)-5-CARBOXYMETHYLPROLINE
    36384 SSD 2 C9 H18 O9 S2 InChI=1S/C9H20O9S2/c10-1-
    7(18-20(15,16)17)5(12)3-1
    9-4-6(13)9(14)8(19)2-11/h
    5-14H,1-4H2,(H2-,15,16,17
    )/p-2/t5-,6+,7+,8+,9-,19+
    /m0/s1;
    NYHLFUZUGSMDBR-ITGKUZSGSA-L    		 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@
    H](CO)OS([O-])([O-])[O-])O)CO)O)O; OC[C@
    @H](O[S]([O-])([O-])[O-])[C@@H](O)C[S@+]
    1C[C@@H](O)[C@H](O)[C@H]1CO; [O-]S([O-])
    ([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1; C
    1C(C(C([S+]1CC(C(CO)OS([O-])([O-])[O-])O
    )CO)O)O; OC[CH](O[S]([O-])([O-])[O-])[CH
    ](O)C[S+]1C[CH](O)[CH](O)[CH]1CO    		 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT;
    DIASTEREOMER OF SALACINOL
    36385 SSE 1 C9 H18 O9 S Se InChI=1S/C9H20O9SSe/c10-1
    -7(18-19(15,16)17)5(12)3-
    20-4-6(13)9(14)8(20)2-11/
    h5-14H,1-4H2,(H2-,15,16,1
    7)/p-2/t5-,6-,7-,8-,9+,20
    -/m1/s1;
    WLNWUNIGATZIKW-ZCYZNMBRSA-L    		 C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO
    )OS([O-])([O-])[O-])O)CO)O)O; [O-]S([O-]
    )([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1;
    C1C(C(C([Se+]1CC(C(CO)OS([O-])([O-])[O-
    ])O)CO)O)O; OC[C@@H](O[S]([O-])([O-])[O-
    ])[C@H](O)C[Se@+]1C[C@@H](O)[C@H](O)[C@H
    ]1CO; OC[CH](O[S]([O-])([O-])[O-])[CH](O
    )C[Se+]1C[CH](O)[CH](O)[CH]1CO    		 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT;
    SELENO-SALACINOL;
    BLINTOL
    36386 SSF
    CHEMBL4303459
    ZINC000003818388    		 0 C18 H16 N2 O4 InChI=1S/C18H16N2O4/c1-10
    -15(20-8-4-3-5-14(20)17(1
    0)24-2)16(21)11-6-7-13(19
    )12(9-11)18(22)23/h3-9H,1
    9H2,1-2H3,(H,22,23);
    SNMCWIDCSPHZRD-UHFFFAOYSA-N    		 Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)
    OC; O=C(O)c1c(N)ccc(c1)C(=O)c2c(c(OC)c3c
    cccn23)C; COc1c(C)c(n2ccccc12)C(=O)c3ccc
    (N)c(c3)C(O)=O    		 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
    36387 SSG
    DB03857
    ZINC000005830031    		 8 C6 H12 O4 S2 InChI=1S/C6H12O4S2/c7-1-2
    -5(11)3(8)4(9)6(12)10-2/h
    2-9,11-12H,1H2/t2-,3-,4-,
    5-,6+/m1/s1;
    MUOMBPNNVXJUGT-UKFBFLRUSA-N    		 OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H
    ]1S; C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](
    O1)S)O)O)S)O; OC[CH]1O[CH](S)[CH](O)[CH]
    (O)[CH]1S; C(C1C(C(C(C(O1)S)O)O)S)O; OC1
    C(S)C(OC(S)C1O)CO    		 1,4-dithio-beta-D-glucopyranose;
    1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE;
    1,4-dithio-beta-D-glucose;
    1,4-dithio-D-glucose;
    1,4-dithio-glucose
    36388 SSH
    DB03303
    ZINC000004803503    		 8 C6 H12 O6 InChI=1S/C6H12O6/c7-2-5(1
    0)3(8)1-4(9)6(11)12/h3-5,
    7-10H,1-2H2,(H,11,12)/t3-
    ,4-,5+/m0/s1;
    YGMNHEPVTNXLLS-VAYJURFESA-N    		 OC[CH](O)[CH](O)C[CH](O)C(O)=O; C(C(C(CO
    )O)O)C(C(=O)O)O; OC[C@@H](O)[C@@H](O)C[C
    @H](O)C(O)=O; O=C(O)C(O)CC(O)C(O)CO; C([
    C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O    		 3-DEOXY-D-ARABINO-HEXONIC ACID;
    D-2-KETO-3-DEOXYGLUCONATE
    36389 SSI
    CHEMBL2414636
    ZINC000096282359    		 4 C11 H17 N4 O5 P InChI=1S/C11H17N4O5P/c16-
    5-8(1-2-21(18,19)20)12-3-
    7-4-13-10-9(7)14-6-15-11(
    10)17/h4,6,8,12-13,16H,1-
    3,5H2,(H,14,15,17)(H2,18,
    19,20)/t8-/m0/s1;
    YYXVNWBGVIIBOW-QMMMGPOBSA-N    		 OC[CH](CC[P](O)(O)=O)NCc1c[nH]c2C(=O)NC=
    Nc12; c1c(c2c([nH]1)C(=O)NC=N2)CNC(CCP(=
    O)(O)O)CO; O=P(O)(O)CCC(NCc2c1N=CNC(=O)c
    1nc2)CO; c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@
    H](CCP(=O)(O)O)CO; OC[C@H](CC[P](O)(O)=O
    )NCc1c[nH]c2C(=O)NC=Nc12    		 [(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid;
    S-SerMe-ImmH phosphonate
    36390 SSJ
    ZINC000058650969    		 1 C19 H28 N3 O15 P3 InChI=1S/C19H28N3O15P3/c1
    -18(2)8-12(19(3,4)22(18)2
    6)6-5-11-9-21(17(25)20-16
    (11)24)15-7-13(23)14(35-1
    5)10-34-39(30,31)37-40(32
    ,33)36-38(27,28)29/h8-9,1
    3-15,23,26H,7,10H2,1-4H3,
    (H,30,31)(H,32,33)(H,20,2
    4,25)(H2,27,28,29)/t13-,1
    4+,15+/m0/s1;
    GHJOELBEPYPBAG-RRFJBIMHSA-N    		 CC1(C)C=C(C#CC2=CN([CH]3C[CH](O)[CH](CO[
    P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C(=O
    )NC2=O)C(C)(C)N1O; CC1(C=C(C(N1O)(C)C)C#
    CC2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)(O)OP
    (=O)(O)OP(=O)(O)O)O)C; CC1(C=C(C(N1O)(C)
    C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H
    ](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)
    O)O)C; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC
    (N2C(=O)NC(=O)C(C#CC1=CC(N(O)C1(C)C)(C)C
    )=C2)CC3O; CC1(C)C=C(C#CC2=CN([C@H]3C[C@
    H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](
    O)(O)=O)O3)C(=O)NC2=O)C(C)(C)N1O    		 2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
    36391 SSK
    CHEMBL467308
    ZINC000038192988    		 0 C14 H16 N2 InChI=1S/C14H16N2/c15-13(
    11-7-3-1-4-8-11)14(16)12-
    9-5-2-6-10-12/h1-10,13-14
    H,15-16H2/t13-,14-/m0/s1;
    PONXTPCRRASWKW-KBPBESRZSA-N    		 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N; N[C
    H]([CH](N)c1ccccc1)c2ccccc2; c1ccc(cc1)C
    (C(c2ccccc2)N)N; NC(C(N)c1ccccc1)c2ccccc
    2; N[C@H]([C@@H](N)c1ccccc1)c2ccccc2    		 (1S,2S)-1,2-diphenylethane-1,2-diamine
    36392 SSL
    ZINC000058661218    		 0 C19 H30 N6 O12 P2 InChI=1S/C19H30N6O12P2/c1
    -16(2)8-19(9-17(3,4)25(16
    )28)34-10-18(11-35-19,12-
    36-39(32,33)37-38(29,30)3
    1)21-14-6-5-13(22-23-20)7
    -15(14)24(26)27/h5-7,21,2
    8H,8-12H2,1-4H3,(H,32,33)
    (H2,29,30,31);
    WKWZPCCUQXPSMM-UHFFFAOYSA-N    		 [O-][N+](=O)c1cc(\N=[N+]=[N-])ccc1NC2(CO
    C3(OC2)CC(N(O)C(C)(C)C3)(C)C)COP(=O)(O)O
    P(=O)(O)O; CC1(C)CC2(CC(C)(C)N1O)OCC(CO2
    )(CO[P](O)(=O)O[P](O)(O)=O)Nc3ccc(cc3[N+
    ]([O-])=O)N=[N+]=[N-]; CC1(CC2(CC(N1O)(C
    )C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3c
    cc(cc3[N+](=O)[O-])N=[N+]=[N-])C; CC1(C)
    CC2(CC(C)(C)N1O)OCC(CO2)(CO[P@@](O)(=O)O
    [P](O)(O)=O)Nc3ccc(cc3[N+]([O-])=O)N=[N+
    ]=[N-]; CC1(CC2(CC(N1O)(C)C)OCC(CO2)(COP
    (=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-]
    )N=[N+]=[N-])C    		 (3-{[2-(DIHYDROXYAMINO)-4-(2LAMBDA~5~-TRIAZA-1,2-DIENYL)PHENYL]AMINO}-9-HYDROXY-8,8,10,10-TETRAMETHYL-1,5-DIOXA-9-AZASPIRO[5.5]UNDEC-3-YL)METHYL TRIHYDROGEN DIPHOSPHATE
    36393 SSM
    ZINC000056874082    		 1 C8 H16 N2 O3 S InChI=1S/C8H16N2O3S/c1-6(
    11)10-7(8(12)9-2)4-5-14(3
    )13/h7H,4-5H2,1-3H3,(H,9,
    12)(H,10,11)/t7-,14-/m0/s
    1;
    HOKSMYPIXLKSMM-WJWGPLDTSA-N    		 CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC; CNC(
    =O)[C@H](CC[S@](C)=O)NC(C)=O; CC(=O)NC(C
    CS(=O)C)C(=O)NC; CNC(=O)[CH](CC[S](C)=O)
    NC(C)=O; O=C(NC(C(=O)NC)CCS(=O)C)C    		 (2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide
    36394 SSN
    CHEMBL1615238
    ZINC000001532577    		 20 C4 H6 O3 InChI=1S/C4H6O3/c5-3-1-2-
    4(6)7/h3H,1-2H2,(H,6,7);
    UIUJIQZEACWQSV-UHFFFAOYSA-N    		 OC(=O)CCC=O; O=CCCC(=O)O; C(CC(=O)O)C=O 4-oxobutanoic acid;
    Succinic semialdehyde
    36395 SSO 1 C9 H18 O9 S2 InChI=1S/C9H20O9S2/c10-1-
    7(18-20(15,16)17)5(12)3-1
    9-4-6(13)9(14)8(19)2-11/h
    5-14H,1-4H2,(H2-,15,16,17
    )/p-2/t5-,6-,7+,8-,9+,19-
    /m1/s1;
    NYHLFUZUGSMDBR-YRPOCYRVSA-L    		 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)
    OS([O-])([O-])[O-])O)CO)O)O; [O-]S([O-])
    ([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1; C
    1C(C(C([S+]1CC(C(CO)OS([O-])([O-])[O-])O
    )CO)O)O; OC[C@H](O[S]([O-])([O-])[O-])[C
    @H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO;
    OC[CH](O[S]([O-])([O-])[O-])[CH](O)C[S+
    ]1C[CH](O)[CH](O)[CH]1CO    		 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT;
    SALACINOL
    36396 SSP
    ZINC000001531084    		 0 C6 H14 S2 InChI=1S/C6H14S2/c1-3-5-7
    -8-6-4-2/h3-6H2,1-2H3;
    ALVPFGSHPUPROW-UHFFFAOYSA-N    		 disulfide; CCCSSCCC DITHIOBIS-(PROPANE)
    36397 SSQ
    CHEMBL5078474    		 1 C11 H7 Cl N4 O S InChI=1S/C11H7ClN4OS/c12-
    7-3-1-2-4-8(7)18-10-6-5-9
    -13-14-11(17)16(9)15-10/h
    1-6H,(H,14,17);
    IOETYCRGZYHINY-UHFFFAOYSA-N    		 c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl; Clc
    1ccccc1SC2=NN3C(=O)NN=C3C=C2    		 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one;
    6-(2-chlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one;
    6-(2-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
    36398 SSR
    CHEMBL1236060
    ZINC000043206831    		 2 C28 H28 F N3 O2 InChI=1S/C28H28FN3O2/c1-1
    8-20(7-6-10-22(18)29)17-2
    4-27(28(34)31-15-13-30-14
    -16-31)26-19(2)25(33)12-1
    1-23(26)32(24)21-8-4-3-5-
    9-21/h3-12,30,33H,13-17H2
    ,1-2H3;
    LWFGTVRNQYOUHL-UHFFFAOYSA-N    		 O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F
    )c4C)C)N5CCNCC5; Cc1c(F)cccc1Cc2n(c3cccc
    c3)c4ccc(O)c(C)c4c2C(=O)N5CCNCC5; Cc1c(c
    ccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O
    )N5CCNCC5    		 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol;
    [2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone
    36399 SSS
    ZINC000038191900    		 18 C13 H19 N4 O12 P InChI=1S/C13H19N4O12P/c14
    -10-7(11(22)16-4(13(23)24
    )1-6(18)19)15-3-17(10)12-
    9(21)8(20)5(29-12)2-28-30
    (25,26)27/h3-5,8-9,12,20-
    21H,1-2,14H2,(H,16,22)(H,
    18,19)(H,23,24)(H2,25,26,
    27)/t4-,5+,8+,9-,12+/m0/s
    1;
    NAQGHJTUZRHGAC-PSYSQGJASA-N    		 Nc1n(cnc1C(=O)N[CH](CC(O)=O)C(O)=O)[CH]2
    O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; Nc1n(
    cnc1C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H]2O
    [C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]2O; c
    1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(
    =O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)
    O; O=C(O)CC(C(=O)O)NC(=O)c1ncn(c1N)C2OC(
    C(O)C2O)COP(=O)(O)O; c1nc(c(n1C2C(C(C(O2
    )COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)
    O    		 N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID;
    N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
    36400 SST
    ZINC000000895208    		 12 C5 H12 O5 InChI=1S/C5H12O5/c6-1-3(8
    )5(10)4(9)2-7/h3-10H,1-2H
    2/t3-,4-/m0/s1;
    HEBKCHPVOIAQTA-IMJSIDKUSA-N    		 C(C(C(C(CO)O)O)O)O; C([C@@H](C([C@H](CO)
    O)O)O)O; OC[CH](O)[CH](O)[CH](O)CO; OC(C
    O)C(O)C(O)CO; OC[C@H](O)[C@@H](O)[C@@H](
    O)CO    		 L-arabinitol;
    (2S,4S)-pentane-1,2,3,4,5-pentol
    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)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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