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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
    37601 T2E
    ZINC000000319716    		 1 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c14-1
    0-3-4-12(11(6-10)13(17)18
    )16-8-9-2-1-5-15-7-9/h1-7
    ,16H,8,14H2,(H,17,18);
    QEGXPJYAQLFLGN-UHFFFAOYSA-N    		 Nc1ccc(NCc2cccnc2)c(c1)C(O)=O; c1cc(cnc1
    )CNc2ccc(cc2C(=O)O)N    		 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
    37602 T2F 1 C16 H12 Cl N O2 InChI=1S/C16H12ClNO2/c1-9
    -13(16(19)20)8-14(12-6-7-
    18-15(9)12)10-2-4-11(17)5
    -3-10/h2-8,18H,1H3,(H,19,
    20);
    HXZMDXUYYVDPRW-UHFFFAOYSA-N    		 Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O;
    Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3    		 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
    37603 T2G 1 C14 H20 N2 O InChI=1S/C14H20N2O/c1-12-
    4-3-5-14(10-12)11-15-6-8-
    16(9-7-15)13(2)17/h3-5,10
    H,6-9,11H2,1-2H3;
    CMCBVCKQOHOWJO-UHFFFAOYSA-N    		 N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C; CC(=O)N1
    CCN(CC1)Cc2cccc(C)c2; Cc1cccc(c1)CN2CCN(
    CC2)C(=O)C    		 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
    37604 T2H
    ZINC000000449195    		 1 C10 H11 N3 O S InChI=1S/C10H11N3OS/c1-2-
    14-8-5-3-4-7(6-8)9-12-13-
    10(11)15-9/h3-6H,2H2,1H3,
    (H2,11,13);
    APEORNRUGDLVDP-UHFFFAOYSA-N    		 CCOc1cccc(c1)c2sc(N)nn2; CCOc1cccc(c1)c2
    nnc(s2)N    		 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
    37605 T2I 1 C28 H24 N2 O5 InChI=1S/C28H24N2O5/c1-16
    -19(26(33)25-22(31)11-6-1
    2-23(25)32)13-14-21-24(16
    )27(34)30(28(35)29(21)2)1
    5-18-9-5-8-17-7-3-4-10-20
    (17)18/h3-5,7-10,13-14,31
    H,6,11-12,15H2,1-2H3;
    NRMFZUFDPQBALM-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3cccc4c3ccc
    c4)C(=O)C5=C(CCCC5=O)O; CN1C(=O)N(Cc2ccc
    c3ccccc23)C(=O)c4c(C)c(ccc14)C(=O)C5=C(O
    )CCCC5=O    		 1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    37606 T2J
    ZINC000004115622    		 1 C12 H15 N3 O3 InChI=1S/C12H15N3O3/c1-10
    (16)13-6-8-14(9-7-13)11-4
    -2-3-5-12(11)15(17)18/h2-
    5H,6-9H2,1H3;
    LEDSXFUCNNKEDB-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-]; N2
    (c1ccccc1[N+]([O-])=O)CCN(CC2)C(=O)C; CC
    (=O)N1CCN(CC1)c2ccccc2[N+]([O-])=O    		 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
    37607 T2K
    CHEMBL4874191    		 1 C18 H13 Cl2 N O3 InChI=1S/C18H13Cl2NO3/c19
    -13-8-12(9-14(20)10-13)18
    -17(11-4-2-1-3-5-11)21-15
    (24-18)6-7-16(22)23/h1-5,
    8-10H,6-7H2,(H,22,23);
    MNBKLGOJIXFSTI-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)
    Cl)Cl; OC(=O)CCc1oc(c2cc(Cl)cc(Cl)c2)c(n
    1)c3ccccc3    		 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
    37608 T2L 4 C30 H37 F4 N5 O5 S InChI=1S/C30H37F4N5O5S/c1
    -28(2,3)22(38-27(44)30(32
    ,33)34)26(43)39-12-14-18(
    29(14,4)5)20(39)24(42)36-
    16(11-13-9-10-35-23(13)41
    )21(40)25-37-19-15(31)7-6
    -8-17(19)45-25/h6-8,13-14
    ,16,18,20-22,40H,9-12H2,1
    -5H3,(H,35,41)(H,36,42)(H
    ,38,44)/t13-,14-,16-,18-,
    20-,21-,22+/m0/s1;
    HZJVVPOOURAASY-SWSSSNQJSA-N    		 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C
    (C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)[C@@H](c4nc5c(cccc5s4)F)O)C;
    FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(C
    C1CCNC1=O)C(O)c1nc3c(F)cccc3s1)C2(C)C)C(
    C)(C)C; CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)N
    C(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5
    c(cccc5s4)F)O)C; CC(C)(C)[CH](NC(=O)C(F)
    (F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C
    [CH]3CCNC3=O)[CH](O)c4sc5cccc(F)c5n4)C2(
    C)C; CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N
    1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H
    ]3CCNC3=O)[C@H](O)c4sc5cccc(F)c5n4)C2(C)
    C    		 (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    37609 T2M
    DB08594
    ZINC000033821524    		 1 C7 H13 N3 O2 InChI=1S/C7H13N3O2/c1-7(2
    ,3)12-6(11)9-10(4)5-8/h1-
    4H3,(H,9,11);
    SWELYBAPJHIOQT-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NN(C)C#N; O=C(OC(C)(C)C)NN
    (C#N)C; CN(NC(=O)OC(C)(C)C)C#N    		 TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
    37610 T2N 8 Fe4 O2 S2 InChI=1S/4Fe.2O.2S/q;;;;;
    ;;+1;
    ZZXANUDJVNRRAL-UHFFFAOYSA-N    		 O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1; O1[Fe]O[Fe]
    2S[Fe][S@+]2[Fe]1    		 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane
    37611 T2O 1 C19 H17 Cl N2 O3 S InChI=1S/C19H17ClN2O3S/c1
    -11-16(19(23)22-26(24,25)
    14-6-7-14)10-17(15-8-9-21
    -18(11)15)12-2-4-13(20)5-
    3-12/h2-5,8-10,14,21H,6-7
    H2,1H3,(H,22,23);
    ANQYGKVLKNBYFQ-UHFFFAOYSA-N    		 Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3
    )c4ccc(Cl)cc4; Cc1c(cc(c2c1[nH]cc2)c3ccc
    (cc3)Cl)C(=O)NS(=O)(=O)C4CC4    		 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
    37612 T2P
    DB03812
    ZINC000012501846    		 2 C13 H21 N4 O11 P InChI=1S/C13H21N4O11P/c18
    -5-7(20)9(21)6(19)4-17-10
    -8(11(22)15-12(23)14-10)1
    6(13(17)24)2-1-3-28-29(25
    ,26)27/h6-7,9,18-21H,1-5H
    2,(H2,25,26,27)(H2,14,15,
    22,23)/t6-,7+,9+/m0/s1;
    KPHFGOGGKPGLTM-LKEWCRSYSA-N    		 OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P]
    (O)(O)=O)C2=C1NC(=O)NC2=O; C(CN1C2=C(NC(
    =O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(
    O)O; C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H
    ]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O; OC[
    C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCO[
    P](O)(O)=O)C2=C1NC(=O)NC2=O; O=C1C2=C(NC
    (=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C
    (O)CO    		 3-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
    37613 T2Q 2 C27 H25 F3 N4 O5 S InChI=1S/C27H25F3N4O5S/c1
    -40(36,37)23-11-13-33(14-
    12-23)21-4-2-3-18(15-21)1
    6-34-17-20(7-10-24(34)35)
    26-31-25(32-39-26)19-5-8-
    22(9-6-19)38-27(28,29)30/
    h2-10,15,17,23H,11-14,16H
    2,1H3;
    IFOZIXCZFLEIQV-UHFFFAOYSA-N    		 C[S](=O)(=O)C1CCN(CC1)c2cccc(CN3C=C(C=CC
    3=O)c4onc(n4)c5ccc(OC(F)(F)F)cc5)c2; CS(
    =O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=
    O)c4nc(no4)c5ccc(cc5)OC(F)(F)F    		 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
    37614 T2R 2 C33 H44 N4 O8 S InChI=1S/C33H44N4O8S/c1-1
    9(2)16-37(46(40,41)23-10-
    11-25-28(14-23)44-32(35-2
    5)34-20(3)4)17-27(38)26(1
    2-21-8-6-5-7-9-21)36-33(3
    9)45-29-13-22-18-42-31-24
    (22)15-30(29)43-31/h5-11,
    14,19-20,22,24,26-27,29-3
    1,38H,12-13,15-18H2,1-4H3
    ,(H,34,35)(H,36,39)/t22-,
    24-,26-,27+,29-,30+,31-/m
    0/s1;
    LVSYGMOPBBVUQW-LZYYYSQTSA-N    		 c1(NC(C)C)oc2c(n1)ccc(c2)S(=O)(N(CC(O)C(
    NC(OC4CC3C5C(OC3)OC4C5)=O)Cc6ccccc6)CC(C
    )C)=O; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2C
    C3COC4C3CC2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n
    6)NC(C)C; CC(C)CN(C[C@H]([C@H](Cc1ccccc1
    )NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@
    H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C
    ; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=
    O)O[C@H]2C[C@H]3CO[C@H]4O[C@@H]2C[C@@H]3
    4)[S](=O)(=O)c5ccc6nc(NC(C)C)oc6c5; CC(C
    )CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2C
    [CH]3CO[CH]4O[CH]2C[CH]34)[S](=O)(=O)c5c
    cc6nc(NC(C)C)oc6c5    		 (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
    37615 T2S
    DB02980    		 0 C10 H15 N2 O6 P S2 InChI=1S/C10H15N2O6PS2/c1
    -5-3-12(10(15)11-9(5)14)8
    -2-6(13)7(18-8)4-17-19(16
    ,20)21/h3,6-8,13H,2,4H2,1
    H3,(H,11,14,15)(H2,16,20,
    21)/t6-,7+,8+/m0/s1;
    KMPXQZWMYQHTNT-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )CO[P@](=S)(O)S)O; CC1=CN(C(=O)NC1=O)C2C
    C(C(O2)COP(=S)(O)S)O; CC1=CN([CH]2C[CH](
    O)[CH](CO[P](O)(S)=S)O2)C(=O)NC1=O; O=C1
    NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)S; C
    C1=CN([C@H]2C[C@H](O)[C@@H](CO[P@](O)(S)
    =S)O2)C(=O)NC1=O    		 THYMIDINE-5'-DITHIOPHOSPHORATE
    37616 T2T
    ZINC000058638661    		 0 C25 H36 N5 O13 P InChI=1S/C25H36N5O13P/c1-
    11(5-14-6-17(42-16(14)10-
    41-44(37,38)39)29-8-12(2)
    21(33)27-24(29)35)20(32)2
    6-7-15-18(31)19(40-4)23(4
    3-15)30-9-13(3)22(34)28-2
    5(30)36/h8-9,11,14-19,23,
    31H,5-7,10H2,1-4H3,(H,26,
    32)(H,27,33,35)(H,28,34,3
    6)(H2,37,38,39)/t11-,14-,
    15+,16+,17+,18+,19+,23+/m
    0/s1;
    ATFPAUAOEANBDJ-QCSMCPAWSA-N    		 CO[CH]1[CH](O)[CH](CNC(=O)[CH](C)C[CH]2C
    [CH](O[CH]2CO[P](O)(O)=O)N3C=C(C)C(=O)NC
    3=O)O[CH]1N4C=C(C)C(=O)NC4=O; CC1=CN(C(=
    O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O
    )O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C
    @@H](O3)N4C=C(C(=O)NC4=O)C)OC)O; O=C1C(=
    CN(C(=O)N1)C2OC(COP(=O)(O)O)C(C2)CC(C(=O
    )NCC4OC(N3C(=O)NC(=O)C(=C3)C)C(OC)C4O)C)
    C; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O
    )O)CC(C)C(=O)NCC3C(C(C(O3)N4C=C(C(=O)NC4
    =O)C)OC)O; CO[C@@H]1[C@H](O)[C@@H](CNC(=
    O)[C@@H](C)C[C@H]2C[C@@H](O[C@@H]2CO[P](
    O)(O)=O)N3C=C(C)C(=O)NC3=O)O[C@H]1N4C=C(
    C)C(=O)NC4=O    		 [(2S,3S,5R)-3-[(2S)-3-({[(2R,3S,4R,5R)-3-HYDROXY-4-METHOXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL}AMINO)-2-METHYL-3-OXOPROPYL]-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
    37617 T2U
    CHEMBL4575218
    ZINC000000404788    		 1 C7 H4 Cl N O InChI=1S/C7H4ClNO/c8-7-9-
    5-3-1-2-4-6(5)10-7/h1-4H;
    BBVQDWDBTWSGHQ-UHFFFAOYSA-N    		 c1ccc2c(c1)nc(o2)Cl; Clc1oc2ccccc2n1; Cl
    c1nc2ccccc2o1    		 2-chloro-1,3-benzoxazole
    37618 T2V 1 C14 H16 N2 O S InChI=1S/C14H16N2OS/c1-10
    (17)16-8-4-5-11(9-16)14-1
    5-12-6-2-3-7-13(12)18-14/
    h2-3,6-7,11H,4-5,8-9H2,1H
    3/t11-/m1/s1;
    VRHLKEQAZUIMQF-LLVKDONJSA-N    		 CC(=O)N1CCCC(C1)c2nc3ccccc3s2; CC(=O)N1C
    CC[CH](C1)c2sc3ccccc3n2; CC(=O)N1CCC[C@H
    ](C1)c2nc3ccccc3s2; CC(=O)N1CCC[C@H](C1)
    c2sc3ccccc3n2; n2c(C1CCCN(C1)C(C)=O)sc3c
    2cccc3    		 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
    37619 T2W 3 C27 H44 N2 O5 InChI=1S/C27H44N2O5/c1-19
    (8-15-23-17-27(5,32)18-26
    (3,4)34-23)7-10-21-11-13-
    22(14-12-21)29-24(30)16-9
    -20(2)33-25(31)28-6/h7-9,
    15-16,20-23,32H,10-14,17-
    18H2,1-6H3,(H,28,31)(H,29
    ,30)/b15-8+,16-9-,19-7+/t
    20-,21-,22+,23+,27+/m0/s1;
    WXUPGKFMAYJXHQ-PSSYVFDHSA-N    		 CC(C=CC(=O)NC1CCC(CC1)CC=C(C)C=CC2CC(CC(
    O2)(C)C)(C)O)OC(=O)NC; C[C@@H](/C=C\C(=O
    )NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](
    CC(O2)(C)C)(C)O)OC(=O)NC; CNC(=O)O[CH](C
    )C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]
    2C[C](C)(O)CC(C)(C)O2; CNC(=O)O[C@@H](C)
    \C=C/C(=O)N[C@H]1CC[C@H](CC1)C\C=C(C)\C=
    C\[C@@H]2C[C@@](C)(O)CC(C)(C)O2    		 [(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
    37620 T2X 0 C7 H14 O3 InChI=1S/C7H14O3/c1-5(2)3
    -4-6(8)7(9)10/h5-6,8H,3-4
    H2,1-2H3,(H,9,10)/t6-/m1/
    s1;
    PFEZQIWIVSFGSC-ZCFIWIBFSA-N    		 CC(C)CC[C@@H](O)C(O)=O; CC(C)CC[C@H](C(=
    O)O)O; CC(C)CCC(O)C(O)=O; CC(C)CC[CH](O)
    C(O)=O; CC(C)CCC(C(=O)O)O    		 (2R)-2-hydroxy-5-methylhexanoic acid
    37621 T2Y
    ZINC000001564847    		 1 C10 H11 N O3 InChI=1S/C10H11NO3/c1-7(1
    2)11-5-8-2-3-9-10(4-8)14-
    6-13-9/h2-4H,5-6H2,1H3,(H
    ,11,12);
    YFWYIWVJRPDXQD-UHFFFAOYSA-N    		 CC(=O)NCc1ccc2c(c1)OCO2; c2cc1c(OCO1)cc2
    CNC(C)=O; CC(=O)NCc1ccc2OCOc2c1    		 N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
    37622 T2Z
    ZINC000070718700    		 2 C30 H48 O9 InChI=1S/C30H48O9/c1-8-23
    (33)20(4)28-24(38-28)17-2
    9(6,35)14-9-10-18(2)27-19
    (3)11-12-25(37-21(5)31)30
    (7,36)15-13-22(32)16-26(3
    4)39-27/h9-12,14,19-20,22
    -25,27-28,32-33,35-36H,8,
    13,15-17H2,1-7H3/b12-11+,
    14-9+,18-10+/t19-,20+,22+
    ,23-,24+,25-,27+,28+,29-,
    30+/m0/s1;
    SDUSVHUQNWGNCQ-MLQHUJDKSA-N    		 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](
    C)(O)\C=C\C=C(/C)[C@H]2OC(=O)C[C@H](O)CC
    [C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]2C;
    CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=
    CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH
    ](OC(C)=O)C=C[CH]2C; CC[C@@H]([C@@H](C)[
    C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@
    @H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O
    )O2)O)(C)O)OC(=O)C)C)O)O; CCC(C(C)C1C(O1
    )CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)
    O)(C)O)OC(=O)C)C)O)O    		 [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
    37623 T3
    CHEMBL1544
    DB00279
    ZINC000003830999    		 21 C15 H12 I3 N O4 InChI=1S/C15H12I3NO4/c16-
    9-6-8(1-2-13(9)20)23-14-1
    0(17)3-7(4-11(14)18)5-12(
    19)15(21)22/h1-4,6,12,20H
    ,5,19H2,(H,21,22)/t12-/m0
    /s1;
    AUYYCJSJGJYCDS-LBPRGKRZSA-N    		 c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O
    ; N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)
    c1)C(O)=O; O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c
    (O)cc1)c(I)c2; c1cc(c(cc1Oc2c(cc(cc2I)C[
    C@@H](C(=O)O)N)I)I)O; N[CH](Cc1cc(I)c(Oc
    2ccc(O)c(I)c2)c(I)c1)C(O)=O    		 3,5,3'TRIIODOTHYRONINE;
    T3;
    THYROID HORMONE;
    LIOTHYRONINE
    37624 T30
    CHEMBL476142
    ZINC000039111147    		 4 C21 H19 F4 N3 O InChI=1S/C21H19F4N3O/c1-1
    3(2)28-18(14-3-9-17(10-4-
    14)29-21(23,24)25)26-27-1
    9(28)20(11-12-20)15-5-7-1
    6(22)8-6-15/h3-10,13H,11-
    12H2,1-2H3;
    BDLBQEJTZWWSND-UHFFFAOYSA-N    		 CC(C)n1c(nnc1C2(CC2)c3ccc(F)cc3)c4ccc(OC
    (F)(F)F)cc4; Fc1ccc(cc1)C4(c3nnc(c2ccc(O
    C(F)(F)F)cc2)n3C(C)C)CC4; CC(C)n1c(nnc1C
    2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F    		 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole
    37625 T31 0 C9 H13 N2 O8 P S InChI=1/C9H13N2O8PS/c12-5
    -1-2-11(9(15)10-5)8-7(14)
    6(13)4(19-8)3-18-20(16,17
    )21/h1-2,4,6-8,13-14H,3H2
    ,(H,10,12,15)(H2,16,17,21
    )/t4-,6-,7-,8-/m1/s1/f/h1
    0,16,21H;
    NSEBKRRODBXALJ-NMPKEWRQDK    		 O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2
    O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(S)=O
    )N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)[C@H]
    2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)
    O)O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)
    (O)S)O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]
    1CO[P@@](O)(S)=O)N2C=CC(=O)NC2=O    		 THYMIDINE 5'-MONOTHIOPHOSPHATE
    37626 T32
    ZINC000058638634    		 0 C12 H19 N2 O7 P InChI=1S/C12H19N2O7P/c1-6
    -4-14(12(17)13-11(6)16)9-
    3-10(15)8(7(9)2)5-21-22(1
    8,19)20/h4,7-10,15H,3,5H2
    ,1-2H3,(H,13,16,17)(H2,18
    ,19,20)/t7-,8-,9-,10-/m0/
    s1;
    LAMPGVURVUFMOO-XKNYDFJKSA-N    		 O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O
    )C; C[CH]1[CH](CO[P](O)(O)=O)[CH](O)C[CH
    ]1N2C=C(C)C(=O)NC2=O; CC1C(CC(C1COP(=O)(
    O)O)O)N2C=C(C(=O)NC2=O)C; C[C@@H]1[C@H](
    C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)N
    C2=O)C; C[C@H]1[C@H](CO[P](O)(O)=O)[C@@H
    ](O)C[C@@H]1N2C=C(C)C(=O)NC2=O    		 6'-ALPHA-METHYL CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE
    37627 T33
    CHEMBL1236140
    ZINC000016051523    		 2 C15 H13 I2 N O4 InChI=1S/C15H13I2NO4/c16-
    10-7-9(2-3-13(10)19)22-14
    -4-1-8(5-11(14)17)6-12(18
    )15(20)21/h1-5,7,12,19H,6
    ,18H2,(H,20,21)/t12-/m0/s
    1;
    CPCJBZABTUOGNM-LBPRGKRZSA-N    		 O=C(O)C(N)Cc2ccc(Oc1cc(I)c(O)cc1)c(I)c2;
    c1cc(c(cc1CC(C(=O)O)N)I)Oc2ccc(c(c2)I)O
    ; N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)
    C(O)=O; c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2
    ccc(c(c2)I)O; N[CH](Cc1ccc(Oc2ccc(O)c(I)
    c2)c(I)c1)C(O)=O    		 3,3'-DEIODO-THYROXINE
    37628 T34
    CHEMBL4101727    		 4 C15 H16 N2 O2 InChI=1S/C15H16N2O2/c1-11
    -7-8-13(15(18)17-19)9-14(
    11)16-10-12-5-3-2-4-6-12/
    h2-9,16,19H,10H2,1H3,(H,1
    7,18);
    PZBARTUEWCQNSN-UHFFFAOYSA-N    		 Cc1ccc(cc1NCc2ccccc2)C(=O)NO 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide
    37629 T35
    CHEMBL3585576
    ZINC000220931095    		 1 C33 H35 N3 O9 InChI=1S/C33H35N3O9/c1-6-
    28(29-19-27(35-45-29)22-1
    2-14-24(15-13-22)44-33(2,
    3)30(37)38)43-32(40)36(20
    -21-10-8-7-9-11-21)31(39)
    34-23-16-25(41-4)18-26(17
    -23)42-5/h7-19,28H,6,20H2
    ,1-5H3,(H,34,39)(H,37,38)
    /t28-/m0/s1;
    WSCPDRVLOQMVLP-NDEPHWFRSA-N    		 CC[CH](OC(=O)N(Cc1ccccc1)C(=O)Nc2cc(OC)c
    c(OC)c2)c3onc(c3)c4ccc(OC(C)(C)C(O)=O)cc
    4; CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc2cc(
    OC)cc(OC)c2)c3onc(c3)c4ccc(OC(C)(C)C(O)=
    O)cc4; CCC(c1cc(no1)c2ccc(cc2)OC(C)(C)C(
    =O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)
    OC)OC; CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)
    (C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(c
    c(c4)OC)OC    		 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
    37630 T36 0 C10 H15 N2 O7 P InChI=1/C10H15N2O7P/c1-6-
    3-11-10(14)12(4-6)9-2-7(1
    3)8(19-9)5-18-20(15,16)17
    /h3-4,7-9,13H,2,5H2,1H3,(
    H2,15,16,17)/t7-,8+,9+/m0
    /s1/f/h15-16H;
    TWYWJJKQSULVQX-ZRPKJLBLDL    		 CC1=CN(C(=O)N=C1)C2CC(C(O2)COP(=O)(O)O)O
    ; CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O
    )O2)C(=O)N=C1; O=C1N=CC(=CN1C2OC(C(O)C2)
    COP(=O)(O)O)C; CC1=CN(C(=O)N=C1)[C@H]2C[
    C@@H]([C@H](O2)COP(=O)(O)O)O; CC1=CN([C@
    H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O
    )N=C1    		 SPLIT LINKAGE THYMIDINE 5'-MONOPHOSPHATE
    37631 T37 0 C10 H16 N3 O7 P InChI=1/C10H16N3O7P/c1-5-
    3-13(10(15)12-9(5)14)8-2-
    6(11)7(20-8)4-19-21(16,17
    )18/h3,6-8H,2,4,11H2,1H3,
    (H,12,14,15)(H2,16,17,18)
    /t6-,7+,8+/m0/s1/f/h12,16
    -17H;
    BQZMHQZNZNBJNF-KKSGRANYDR    		 CC1=CN([C@H]2C[C@H](N)[C@@H](CO[P](O)(O)
    =O)O2)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC
    (C(O2)COP(=O)(O)O)N; O=C1NC(=O)N(C=C1C)C
    2OC(C(N)C2)COP(=O)(O)O; CC1=CN(C(=O)NC1=
    O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N;
    CC1=CN([CH]2C[CH](N)[CH](CO[P](O)(O)=O)O
    2)C(=O)NC1=O    		 3'-AMINO-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE
    37632 T38
    ZINC000058638662    		 0 C13 H21 N2 O10 P InChI=1S/C13H21N2O10P/c1-
    3-22-6-23-10-9(16)8(5-24-
    26(19,20)21)25-12(10)15-4
    -7(2)11(17)14-13(15)18/h4
    ,8-10,12,16H,3,5-6H2,1-2H
    3,(H,14,17,18)(H2,19,20,2
    1)/t8-,9-,10-,12-/m1/s1;
    ZHEHKUXUPODKJV-DNRKLUKYSA-N    		 P(=O)(O)(O)OCC1OC(C(C1O)OCOCC)N2C(=O)NC(
    =O)C(C)=C2; CCOCOC1C(C(OC1N2C=C(C(=O)NC2
    =O)C)COP(=O)(O)O)O; CCOCO[C@@H]1[C@H](O)
    [C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O
    )NC2=O; CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1
    N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O; CCOCO[
    CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=
    C(C)C(=O)NC2=O    		 2'-O-ETHOXYMETHYLENE THYMIDINE 5'-MONOPHOSPHATE
    37633 T39
    ZINC000058650689    		 0 C13 H21 N2 O10 P InChI=1S/C13H21N2O10P/c1-
    7-5-15(13(18)14-11(7)17)1
    2-10(23-4-3-22-2)9(16)8(2
    5-12)6-24-26(19,20)21/h5,
    8-10,12,16H,3-4,6H2,1-2H3
    ,(H,14,17,18)(H2,19,20,21
    )/t8-,9-,10-,12-/m1/s1;
    BLSQXXFKLSKRRX-DNRKLUKYSA-N    		 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)C(O
    CCOC)C2O; CC1=CN(C(=O)NC1=O)C2C(C(C(O2)C
    OP(=O)(O)O)O)OCCOC; COCCO[C@@H]1[C@H](O)
    [C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O
    )NC2=O; CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([
    C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC; COCC
    O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2
    C=C(C)C(=O)NC2=O    		 2'-O-METHOXYETHYLENE THYMIDINE 5'-MONOPHOSPHATE
    37634 T3A
    ZINC000001611594    		 8 C7 H17 N O6 S InChI=1S/C7H17NO6S/c9-4-7
    (5-10,6-11)8-2-1-3-15(12,
    13)14/h8-11H,1-6H2,(H,12,
    13,14);
    YNLCVAQJIKOXER-UHFFFAOYSA-N    		 C(CNC(CO)(CO)CO)CS(=O)(=O)O; OCC(CO)(CO)
    NCCC[S](O)(=O)=O; O=S(=O)(O)CCCNC(CO)(CO
    )CO    		 N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID
    37635 T3B
    CHEMBL5169387    		 6 C30 H31 N5 O5 S2 InChI=1S/C30H31N5O5S2/c1-
    21(2)27(36)33-30-32-19-26
    (41-30)28(37)31-17-18-35(
    20-22-9-5-3-6-10-22)29(38
    )23-13-15-25(16-14-23)42(
    39,40)34-24-11-7-4-8-12-2
    4/h3-16,19,21,34H,17-18,2
    0H2,1-2H3,(H,31,37)(H,32,
    33,36);
    YVPYJSSYGACUSE-UHFFFAOYSA-N    		 CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)
    C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4; CC(C)
    C(=O)Nc1sc(cn1)C(=O)NCCN(Cc2ccccc2)C(=O)
    c3ccc(cc3)[S](=O)(=O)Nc4ccccc4    		 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
    37636 T3C
    CHEMBL2312185
    ZINC000095597277    		 3 C21 H24 N8 S InChI=1S/C21H24N8S/c1-14-
    19(30-21(23-2)26-14)18-15
    (12-22)13-25-20(28-18)27-
    16-5-3-6-17(11-16)29-9-4-
    7-24-8-10-29/h3,5-6,11,13
    ,24H,4,7-10H2,1-2H3,(H,23
    ,26)(H,25,27,28);
    BKOYUSKBPMSUBK-UHFFFAOYSA-N    		 CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)N4CCCNCC4)
    ncc2C#N; N#Cc1c(nc(nc1)Nc3cccc(N2CCCNCC2
    )c3)c4sc(nc4C)NC; Cc1c(sc(n1)NC)c2c(cnc(
    n2)Nc3cccc(c3)N4CCCNCC4)C#N    		 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
    37637 T3D 1 C27 H42 N7 O19 P3 S InChI=1S/C27H42N7O19P3S/c
    1-27(2,22(40)25(41)30-8-7
    -16(35)29-9-10-57-18(38)6
    -4-3-5-17(36)37)12-50-56(
    47,48)53-55(45,46)49-11-1
    5-21(52-54(42,43)44)20(39
    )26(51-15)34-14-33-19-23(
    28)31-13-32-24(19)34/h3-4
    ,13-15,20-22,26,39-40H,5-
    12H2,1-2H3,(H,29,35)(H,30
    ,41)(H,36,37)(H,45,46)(H,
    47,48)(H2,28,31,32)(H2,42
    ,43,44)/b4-3+/t15-,20-,21
    -,22+,26-/m1/s1;
    VYSXESTVCZRDBA-ZPJAMBCCSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC
    (=O)O)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)OC
    [CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cn
    c3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=
    O)CC=CCC(O)=O; CC(C)(COP(=O)(O)OP(=O)(O)
    OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O
    )C(C(=O)NCCC(=O)NCCSC(=O)CC=CCC(=O)O)O;
    CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C
    @H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(
    N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)
    C/C=C/CC(O)=O    		 (~{E})-6-[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]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
    37638 T3E
    CHEMBL2312183
    ZINC000095597472    		 3 C16 H15 N7 O2 S2 InChI=1S/C16H15N7O2S2/c1-
    9-14(26-16(19-2)21-9)13-1
    0(7-17)8-20-15(23-13)22-1
    1-4-3-5-12(6-11)27(18,24)
    25/h3-6,8H,1-2H3,(H,19,21
    )(H2,18,24,25)(H,20,22,23
    );
    SGOFFNQMBSXTRU-UHFFFAOYSA-N    		 CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)[S](N)(=O)
    =O)ncc2C#N; Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3
    cccc(c3)S(=O)(=O)N)C#N; O=S(=O)(N)c1cccc
    (c1)Nc2ncc(C#N)c(n2)c3sc(nc3C)NC    		 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
    37639 T3F
    ZINC000058638663    		 18 C16 H27 N3 O14 P2 InChI=1S/C16H27N3O14P2/c1
    -6-4-19(16(24)18-14(6)23)
    10-3-8(20)9(31-10)5-29-34
    (25,26)33-35(27,28)32-15-
    13(22)11(17)12(21)7(2)30-
    15/h4,7-13,15,20-22H,3,5,
    17H2,1-2H3,(H,25,26)(H,27
    ,28)(H,18,23,24)/t7-,8+,9
    -,10-,11+,12+,13-,15-/m1/
    s1;
    KVYJLJOGNUNRJK-FQLHZTMTSA-N    		 O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3
    OC(N2C=C(C(=O)NC2=O)C)CC3O; C[CH]1O[CH](
    O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]
    2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N)[CH]
    1O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2
    C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N)O; C[C@
    H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@
    H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[
    C@H](O)[C@@H](N)[C@H]1O; C[C@@H]1[C@@H](
    [C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@]
    (=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C
    (=O)NC3=O)C)O)O)N)O    		 (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;
    thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminogalactose
    37640 T3G 1 C12 H14 F2 N2 O3 S InChI=1S/C12H14F2N2O3S/c1
    -9(17)15-5-7-16(8-6-15)20
    (18,19)12-10(13)3-2-4-11(
    12)14/h2-4H,5-8H2,1H3;
    IQKBRWMUAKOXSG-UHFFFAOYSA-N    		 N2(CCN(S(c1c(cccc1F)F)(=O)=O)CC2)C(=O)C;
    CC(=O)N1CCN(CC1)[S](=O)(=O)c2c(F)cccc2F
    ; CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F    		 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
    37641 T3H 1 C25 H30 N10 O InChI=1S/C25H30N10O/c1-26
    -25(27-2)30-17-7-9-18(10-
    8-17)35-12-4-5-21(35)24(3
    6)28-14-16-6-11-19-20(13-
    16)32-23(31-19)22-15-29-3
    3-34(22)3/h6-11,13,15,21H
    ,4-5,12,14H2,1-3H3,(H,28,
    36)(H,31,32)(H2,26,27,30)
    /t21-/m0/s1;
    MXOKQNYTQUSCFY-NRFANRHFSA-N    		 CNC(Nc1ccc(cc1)N2CCC[CH]2C(=O)NCc3ccc4[n
    H]c(nc4c3)c5cnnn5C)=NC; CNC(=NC)Nc1ccc(c
    c1)N2CCCC2C(=O)NCc3ccc4c(c3)nc([nH]4)c5c
    nnn5C; CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2
    C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C; CNC
    (Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4[nH]
    c(nc4c3)c5cnnn5C)=NC    		 (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide
    37642 T3I 1 C18 H18 Cl N3 O3 S InChI=1S/C18H18ClN3O3S/c1
    -11-15(18(23)21-26(24,25)
    22(2)3)10-16(14-8-9-20-17
    (11)14)12-4-6-13(19)7-5-1
    2/h4-10,20H,1-3H3,(H,21,2
    3);
    KVLWDVXAVQTEGW-UHFFFAOYSA-N    		 Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)NS
    (=O)(=O)N(C)C; CN(C)[S](=O)(=O)NC(=O)c1c
    c(c2ccc(Cl)cc2)c3cc[nH]c3c1C    		 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
    37643 T3J
    ZINC000041172145    		 1 C12 H14 F N O2 InChI=1S/C12H14FNO2/c1-9(
    15)14-6-7-16-12(8-14)10-2
    -4-11(13)5-3-10/h2-5,12H,
    6-8H2,1H3/t12-/m0/s1;
    HUEBTMPZBSOCPP-LBPRGKRZSA-N    		 CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F; c1(ccc(
    F)cc1)C2CN(C(C)=O)CCO2; CC(=O)N1CCO[CH](
    C1)c2ccc(F)cc2; CC(=O)N1CCOC(C1)c2ccc(cc
    2)F; CC(=O)N1CCO[C@@H](C1)c2ccc(F)cc2    		 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
    37644 T3K 2 C21 H30 N2 O5 InChI=1S/C21H30N2O5/c1-16
    (22-27-12-9-21(24)23-10-1
    3-26-14-11-23)17-7-8-19(2
    5-2)20(15-17)28-18-5-3-4-
    6-18/h7-8,15,18H,3-6,9-14
    H2,1-2H3/b22-16+;
    JXTYCFKAGIEBPC-CJLVFECKSA-N    		 C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3C
    CCC3)OC; COc1ccc(cc1OC2CCCC2)\C(C)=N\OCC
    C(=O)N3CCOCC3; COc1ccc(cc1OC2CCCC2)C(C)=
    NOCCC(=O)N3CCOCC3; CC(=NOCCC(=O)N1CCOCC1
    )c2ccc(c(c2)OC3CCCC3)OC    		 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
    37645 T3M
    CHEMBL1236145
    ZINC000058650700    		 1 C20 H19 N3 O5 InChI=1S/C20H19N3O5/c1-26
    -15-8-13(9-16(27-2)18(15)
    28-3)14-10-22-19(21)17(23
    -14)11-4-6-12(7-5-11)20(2
    4)25/h4-10H,1-3H3,(H2,21,
    22)(H,24,25);
    JOVBKEMPKRSFDQ-UHFFFAOYSA-N    		 COc1cc(cc(OC)c1OC)c2cnc(N)c(n2)c3ccc(cc3
    )C(O)=O; COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3
    ccc(cc3)C(=O)O)N; O=C(O)c1ccc(cc1)c2nc(c
    nc2N)c3cc(OC)c(OC)c(OC)c3    		 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
    37646 T3N
    ZINC000000093096    		 1 C10 H11 N O4 InChI=1S/C10H11NO4/c1-7(1
    2)11-8-2-4-9(5-3-8)15-6-1
    0(13)14/h2-5H,6H2,1H3,(H,
    11,12)(H,13,14);
    LYJCGBYEVXKOST-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(cc1)OCC(=O)O; CC(=O)Nc1ccc(
    OCC(O)=O)cc1    		 2-(4-acetamidophenoxy)ethanoic acid
    37647 T3O
    DB08595
    ZINC000002496982    		 2 C17 H22 O2 InChI=1S/C17H22O2/c1-11-4
    -7-13-10-15(11)16(19-17(1
    3,2)3)12-5-8-14(18)9-6-12
    /h4-6,8-9,13,15-16,18H,7,
    10H2,1-3H3/t13-,15-,16-/m
    0/s1;
    BBZPJHFECDCNGT-BPUTZDHNSA-N    		 CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc
    (cc3)O; CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C
    )C)c3ccc(O)cc3; CC1=CC[CH]2C[CH]1[CH](OC
    2(C)C)c3ccc(O)cc3; CC1=CCC2CC1C(OC2(C)C)
    c3ccc(cc3)O; Oc1ccc(cc1)C3OC(C2CC=C(C3C2
    )C)(C)C    		 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
    37648 T3P
    CHEMBL408119
    ZINC000006521315    		 5 C10 H15 N2 O8 P InChI=1S/C10H15N2O8P/c1-5
    -3-12(10(15)11-9(5)14)8-2
    -6(7(4-13)19-8)20-21(16,1
    7)18/h3,6-8,13H,2,4H2,1H3
    ,(H,11,14,15)(H2,16,17,18
    )/t6-,7+,8+/m0/s1;
    XXYIANZGUOSQHY-XLPZGREQSA-N    		 CC1=CN([C@H]2C[C@H](O[P](O)(O)=O)[C@@H](
    CO)O2)C(=O)NC1=O; CC1=CN([CH]2C[CH](O[P]
    (O)(O)=O)[CH](CO)O2)C(=O)NC1=O; O=C1NC(=
    O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO; CC1=C
    N(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)O; CC
    1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C
    O)OP(=O)(O)O    		 THYMIDINE-3'-PHOSPHATE;
    ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE
    37649 T3Q
    ZINC000008436920    		 21 C16 H27 N3 O14 P2 InChI=1S/C16H27N3O14P2/c1
    -6-4-19(16(24)18-14(6)23)
    10-3-8(20)9(31-10)5-29-34
    (25,26)33-35(27,28)32-15-
    13(22)11(17)12(21)7(2)30-
    15/h4,7-13,15,20-22H,3,5,
    17H2,1-2H3,(H,25,26)(H,27
    ,28)(H,18,23,24)/t7-,8+,9
    -,10-,11+,12-,13-,15-/m1/
    s1;
    KVYJLJOGNUNRJK-HALQBZCBSA-N    		 O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3
    OC(N2C=C(C(=O)NC2=O)C)CC3O; C[CH]1O[CH](
    O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]
    2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](N)[CH]
    1O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2
    C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)N)O; C[C@
    @H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O
    )(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](
    O2)N3C=C(C(=O)NC3=O)C)O)O)N)O; C[C@H]1O[
    C@H](O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[
    C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](
    O)[C@@H](N)[C@@H]1O    		 [(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;
    thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminoglucose
    37650 T3R 0 C8 H17 N O2 InChI=1S/C8H17NO2/c1-6(2)
    4-5-7(9-3)8(10)11/h6-7,9H
    ,4-5H2,1-3H3,(H,10,11)/t7
    -/m0/s1;
    NEBSZBVQOBTMPC-ZETCQYMHSA-N    		 CC(C)CCC(C(=O)O)NC; CN[C@@H](CCC(C)C)C(O
    )=O; CN[CH](CCC(C)C)C(O)=O; CNC(CCC(C)C)
    C(=O)O; CC(C)CC[C@@H](C(=O)O)NC    		 N,5-dimethyl-L-norleucine
    37651 T3S
    CHEMBL460910
    DB08596
    ZINC000040864131    		 1 C15 H23 N3 O4 InChI=1S/C15H23N3O4/c1-10
    -8-18(15(21)16-14(10)20)1
    3-7-11(19)12(22-13)9-17-5
    -3-2-4-6-17/h8,11-13,19H,
    2-7,9H2,1H3,(H,16,20,21)/
    t11-,12+,13+/m0/s1;
    GMOUOGHZJCSNOZ-YNEHKIRRSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )CN3CCCCC3)O; CC1=CN([CH]2C[CH](O)[CH](C
    N3CCCCC3)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1
    C)C2OC(C(O)C2)CN3CCCCC3; CC1=CN([C@H]2C[
    C@H](O)[C@@H](CN3CCCCC3)O2)C(=O)NC1=O; C
    C1=CN(C(=O)NC1=O)C2CC(C(O2)CN3CCCCC3)O    		 5'-deoxy-5'-piperidin-1-ylthymidine
    37652 T3T
    CHEMBL1340204
    ZINC000000795103    		 2 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-2-
    6-16-12(3-1)9-15-8-11-4-5
    -13-14(7-11)18-10-17-13/h
    1-7,15H,8-10H2;
    KZQVJMBMNZMAGV-UHFFFAOYSA-N    		 c1ccnc(c1)CNCc2ccc3c(c2)OCO3; C1Oc2ccc(C
    NCc3ccccn3)cc2O1    		 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine
    37653 T3U 1 C22 H20 Cl N5 O4 S InChI=1S/C22H20ClN5O4S/c1
    -13-16(22(29)27-33(30,31)
    28(2)3)11-17(15-6-7-26-21
    (13)15)14-4-5-18(23)19(10
    -14)32-20-12-24-8-9-25-20
    /h4-12,26H,1-3H3,(H,27,29
    );
    ZCEDSBRRQLSVCI-UHFFFAOYSA-N    		 CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc
    3cnccn3)c2)c4cc[nH]c4c1C; Cc1c(cc(c2c1[n
    H]cc2)c3ccc(c(c3)Oc4cnccn4)Cl)C(=O)NS(=O
    )(=O)N(C)C    		 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
    37654 T3V 1 C12 H15 F N2 O3 S InChI=1S/C12H15FN2O3S/c1-
    10(16)14-6-8-15(9-7-14)19
    (17,18)12-5-3-2-4-11(12)1
    3/h2-5H,6-9H2,1H3;
    IMFVSIUUYBHKNQ-UHFFFAOYSA-N    		 N2(CCN(S(c1ccccc1F)(=O)=O)CC2)C(=O)C; CC
    (=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2F; CC(=
    O)N1CCN(CC1)S(=O)(=O)c2ccccc2F    		 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
    37655 T3W 2 C12 H8 I N3 O InChI=1S/C12H8IN3O/c13-9-
    3-1-8(2-4-9)10-7-16-11(15
    -10)5-6-14-12(16)17/h1-4,
    6-7H,5H2;
    JYLKLWHWBQXQPC-UHFFFAOYSA-N    		 c1cc(ccc1c2cn3c(n2)CC=NC3=O)I; Ic1ccc(cc
    1)c2cn3C(=O)N=CCc3n2    		 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one
    37656 T3X
    CHEMBL2316582
    DB16185
    ZINC000095594040    		 6 C29 H27 F3 N6 O InChI=1S/C29H27F3N6O/c1-1
    9-3-5-22(14-21(19)6-4-20-
    13-24-17-34-36-27(24)33-1
    6-20)28(39)35-25-8-7-23(2
    6(15-25)29(30,31)32)18-38
    -11-9-37(2)10-12-38/h3,5,
    7-8,13-17H,9-12,18H2,1-2H
    3,(H,35,39)(H,33,34,36);
    TZKBVRDEOITLRB-UHFFFAOYSA-N    		 Cc1ccc(cc1C#Cc2cc3cn[nH]c3nc2)C(=O)Nc4cc
    c(c(c4)C(F)(F)F)CN5CCN(CC5)C; CN1CCN(CC1
    )Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5[nH]
    ncc5c4)cc2C(F)(F)F; FC(F)(F)c1cc(ccc1CN1
    CCN(C)CC1)NC(=O)c1cc(C#Cc2cc3cn[NH]c3nc2
    )c(C)cc1    		 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
    37657 T3Y
    CHEMBL1092710
    ZINC000095537394    		 35 C28 H24 O16 S4 InChI=1S/C28H24O16S4/c29-
    25-13-1-14-6-22(46(36,37)
    38)8-16(26(14)30)3-18-10-
    24(48(42,43)44)12-20(28(1
    8)32)4-19-11-23(47(39,40)
    41)9-17(27(19)31)2-15(25)
    7-21(5-13)45(33,34)35/h5-
    12,29-32H,1-4H2,(H,33,34,
    35)(H,36,37,38)(H,39,40,4
    1)(H,42,43,44);
    JFYBCAFLVNKHHG-UHFFFAOYSA-N    		 c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5
    cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)
    (=O)O)O)S(=O)(=O)O; Oc1c2Cc3cc(cc(Cc4cc(
    cc(Cc5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5O)[S
    ](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=
    O)=O; O=S(=O)(O)c1cc5c(O)c(c1)Cc2c(O)c(c
    c(c2)S(=O)(=O)O)Cc3c(O)c(cc(c3)S(=O)(=O)
    O)Cc4cc(cc(c4O)C5)S(=O)(=O)O    		 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid;
    5,11,17,23-tetra-sulphonato-calix[4]arene-25,26,27,28-tetrol
    37658 T3Z
    ZINC000025773506    		 2 C12 H16 N2 O InChI=1S/C12H16N2O/c1-8-4
    -3-5-11(13-8)12(15)14-9(2
    )10-6-7-10/h3-5,9-10H,6-7
    H2,1-2H3,(H,14,15)/t9-/m1
    /s1;
    HZPLHNFJXLSHCY-SECBINFHSA-N    		 C[C@@H](NC(=O)c1cccc(C)n1)C2CC2; Cc1cccc
    (n1)C(=O)N[C@H](C)C2CC2; Cc1cccc(n1)C(=O
    )NC(C)C2CC2; C[CH](NC(=O)c1cccc(C)n1)C2C
    C2    		 (R)-N-(1-cyclopropylethyl)-6-methylpicolinamide;
    ~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
    37659 T40
    CHEMBL3764967
    ZINC000204955815    		 1 C21 H23 N3 O InChI=1S/C21H23N3O/c1-15-
    3-2-4-18-19(15)13-20(23-2
    1(18)25)17-7-5-16(6-8-17)
    14-24-11-9-22-10-12-24/h2
    -8,13,22H,9-12,14H2,1H3,(
    H,23,25);
    ZZCWXOKQTXSKMI-UHFFFAOYSA-N    		 Cc1cccc2C(=O)NC(=Cc12)c3ccc(CN4CCNCC4)cc
    3; O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCNC
    C3)C; Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4C
    CNCC4    		 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
    37660 T41
    ZINC000058638671    		 0 C11 H17 N2 O9 P InChI=1S/C11H17N2O9P/c1-5
    -3-13(11(16)12-9(5)15)10-
    8(20-2)7(14)6(22-10)4-21-
    23(17,18)19/h3,6-8,10,14H
    ,4H2,1-2H3,(H,12,15,16)(H
    2,17,18,19)/t6-,7-,8+,10-
    /m1/s1;
    AMKCISYJIZUJJQ-BDNRQGISSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@
    H](O2)COP(=O)(O)O)O)OC; CO[CH]1[CH](O)[C
    H](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=
    O; CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(
    O)O)O)OC; CO[C@H]1[C@H](O)[C@@H](CO[P](O
    )(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O; N1(C(N
    C(C(C)=C1)=O)=O)C2C(OC)C(C(O2)COP(=O)(O)
    O)O    		 1-(2-O-METHYL-BETA-D-ARABINOFURANOSYL)THYMIDINE 5'-MONOPHOSPHATE
    37661 T42
    ZINC000195751069    		 1 C30 H39 B N4 O7 InChI=1S/C30H39BN4O7/c1-4
    1-19-9-15-25(31(39)40)32-
    28(36)24-14-8-16-35(24)29
    (37)27(33-30(38)34-17-20-
    42-21-18-34)26(22-10-4-2-
    5-11-22)23-12-6-3-7-13-23
    /h2-8,10-14,16,25-27,30,3
    3,38-40H,9,15,17-21H2,1H3
    ,(H,32,36)/t25-,27+,30-/m
    0/s1;
    DTJORIMAIDQZOF-NSROOHRNSA-N    		 COCCC[C@H](NC(=O)c1cccn1C(=O)[C@H](N[C@H
    ](O)N2CCOCC2)C(c3ccccc3)c4ccccc4)B(O)O;
    B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C
    (c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O
    )O; B(C(CCCOC)NC(=O)c1cccn1C(=O)C(C(c2cc
    ccc2)c3ccccc3)NC(N4CCOCC4)O)(O)O; O=C(NC
    (B(O)O)CCCOC)c1cccn1C(=O)C(NC(O)N2CCOCC2
    )C(c3ccccc3)c4ccccc4; COCCC[CH](NC(=O)c1
    cccn1C(=O)[CH](N[CH](O)N2CCOCC2)C(c3cccc
    c3)c4ccccc4)B(O)O    		 MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID
    37662 T43 1 C30 H35 F4 N5 O4 S2 InChI=1S/C30H35F4N5O4S2/c
    1-28(2,3)22(38-27(43)30(3
    2,33)34)26(42)39-12-14-18
    (29(14,4)5)20(39)24(44)36
    -16(11-13-9-10-35-23(13)4
    1)21(40)25-37-19-15(31)7-
    6-8-17(19)45-25/h6-8,13-1
    4,16,18,20,22H,9-12H2,1-5
    H3,(H,35,41)(H,36,44)(H,3
    8,43)/t13-,14-,16-,18-,20
    -,22+/m0/s1;
    GDKLDALGJZVEKT-MCUUEWDYSA-N    		 CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]
    2[CH]([CH]1C(=S)N[CH](C[CH]3CCNC3=O)C(=O
    )c4sc5cccc(F)c5n4)C2(C)C; CC1([C@@H]2[C@
    H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)
    C(F)(F)F)C(=S)N[C@@H](C[C@@H]3CCNC3=O)C(
    =O)c4nc5c(cccc5s4)F)C; CC(C)(C)[C@H](NC(
    =O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C
    (=S)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c4sc5cc
    cc(F)c5n4)C2(C)C; FC(F)(F)C(=O)NC(C(=O)N
    1CC2C(C1C(=S)NC(CC1CCNC1=O)C(=O)c1nc3c(F
    )cccc3s1)C2(C)C)C(C)(C)C; CC1(C2C1C(N(C2
    )C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=S)NC(
    CC3CCNC3=O)C(=O)c4nc5c(cccc5s4)F)C    		 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide
    37663 T44
    CHEMBL1624
    DB00451
    ZINC000003830993    		 56 C15 H11 I4 N O4 InChI=1S/C15H11I4NO4/c16-
    8-4-7(5-9(17)13(8)21)24-1
    4-10(18)1-6(2-11(14)19)3-
    12(20)15(22)23/h1-2,4-5,1
    2,21H,3,20H2,(H,22,23)/t1
    2-/m0/s1;
    XUIIKFGFIJCVMT-LBPRGKRZSA-N    		 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H
    ](C(=O)O)N; N[CH](Cc1cc(I)c(Oc2cc(I)c(O)
    c(I)c2)c(I)c1)C(O)=O; O=C(O)C(N)Cc2cc(I)
    c(Oc1cc(I)c(O)c(I)c1)c(I)c2; N[C@@H](Cc1
    cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O;
    c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(
    =O)O)N    		 3,5,3',5'-TETRAIODO-L-THYRONINE
    37664 T45
    ZINC000016052238    		 0 C4 H5 N3 O2 InChI=1S/C4H5N3O2/c1-9-4(
    8)3-2-5-7-6-3/h2H,1H3,(H,
    5,6,7);
    FZXQUCUWEZQIHL-UHFFFAOYSA-N    		 COC(=O)c1cn[nH]n1; O=C(OC)c1nnnc1 METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE
    37665 T46
    ZINC000018206939    		 6 C16 H24 N2 O15 P2 InChI=1S/C16H24N2O15P2/c1
    -6-4-18(16(24)17-14(6)23)
    10-3-8(19)9(31-10)5-29-34
    (25,26)33-35(27,28)32-15-
    13(22)12(21)11(20)7(2)30-
    15/h4,7-10,12-13,15,19,21
    -22H,3,5H2,1-2H3,(H,25,26
    )(H,27,28)(H,17,23,24)/t7
    -,8+,9-,10-,12+,13-,15-/m
    1/s1;
    PSXWNITXWWECNY-UCBTUHGZSA-N    		 CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C
    (CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O; O=C1C(=
    CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC
    3OC(C(=O)C(O)C3O)C)O)O)C; C[CH]1O[CH](O[
    P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O
    )N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)C1=O;
    C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O
    )(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N
    3C=C(C(=O)NC3=O)C)O)O)O; C[C@H]1O[C@H](O
    [P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@
    @H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](
    O)C1=O    		 dTDP-4-keto-6-deoxyglucose
    37666 T47 1 C13 H17 Cl N2 O InChI=1S/C13H17ClN2O/c1-1
    1(17)16-7-5-15(6-8-16)10-
    12-3-2-4-13(14)9-12/h2-4,
    9H,5-8,10H2,1H3;
    OACABXAYQRNFDV-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl; N1(CCN(C(
    C)=O)CC1)Cc2cccc(c2)Cl; CC(=O)N1CCN(CC1)
    Cc2cccc(Cl)c2    		 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
    37667 T48
    ZINC000058638673    		 0 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c1-5
    -3-13(11(17)12-10(5)16)7-
    2-8(14)6(9(7)15)4-21-22(1
    8,19)20/h3,6-9,14-15H,2,4
    H2,1H3,(H,12,16,17)(H2,18
    ,19,20)/t6-,7+,8+,9+/m1/s
    1;
    XBCGTBYCRNQMDB-XGEHTFHBSA-N    		 O=P(O)(O)OCC2C(O)C(N1C=C(C(=O)NC1=O)C)CC
    2O; CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O
    )(O)=O)[C@@H]2O)C(=O)NC1=O; CC1=CN(C(=O)
    NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=
    O)(O)O)O; CC1=CN(C(=O)NC1=O)C2CC(C(C2O)C
    OP(=O)(O)O)O; CC1=CN([CH]2C[CH](O)[CH](C
    O[P](O)(O)=O)[CH]2O)C(=O)NC1=O    		 6'-ALPHA-HYDROXY CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE
    37668 T49 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(21-8)4-19-20(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;
    VXWYIYUPUKWYJB-XLPZGREQSA-N    		 O=C1NC(=O)N(C=C1C)C2SC(C(O)C2)COP(=O)(O)
    O; CC1=CN(C(=O)NC1=O)C2CC(C(S2)COP(=O)(O
    )O)O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C
    @H](S2)COP(=O)(O)O)O; CC1=CN([CH]2C[CH](
    O)[CH](CO[P](O)(O)=O)S2)C(=O)NC1=O; CC1=
    CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)S
    2)C(=O)NC1=O    		 S4'-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE
    37669 T4A
    CHEMBL549748
    DB01751
    ZINC000008681598    		 7 C14 H8 I4 O4 InChI=1S/C14H8I4O4/c15-8-
    4-7(5-9(16)13(8)21)22-14-
    10(17)1-6(2-11(14)18)3-12
    (19)20/h1-2,4-5,21H,3H2,(
    H,19,20);
    PPJYSSNKSXAVDB-UHFFFAOYSA-N    		 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)
    O; OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(
    I)c1; Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)
    c2O    		 3,3',5,5'-TETRAIODOTHYROACETIC ACID
    37670 T4B
    CHEMBL247920
    ZINC000001549397    		 5 C31 H26 N2 O3 InChI=1S/C31H26N2O3/c1-2-
    27-30(22-12-5-3-6-13-22)3
    1(23-14-7-4-8-15-23)32-33
    (27)28-19-10-9-18-26(28)2
    4-16-11-17-25(20-24)36-21
    -29(34)35/h3-20H,2,21H2,1
    H3,(H,34,35);
    SJRVJRYZAQYCEE-UHFFFAOYSA-N    		 CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4
    ccccc4)c5ccccc5; CCc1n(nc(c2ccccc2)c1c3c
    cccc3)c4ccccc4c5cccc(OCC(O)=O)c5; O=C(O)
    COc5cccc(c1ccccc1n2nc(c(c2CC)c3ccccc3)c4
    ccccc4)c5    		 ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID
    37671 T4C 1 C15 H10 Cl N O2 InChI=1S/C15H10ClNO2/c16-
    11-3-1-9(2-4-11)13-7-10(1
    5(18)19)8-14-12(13)5-6-17
    -14/h1-8,17H,(H,18,19);
    QSVCYCVGLSKBCQ-UHFFFAOYSA-N    		 c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl; OC
    (=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3    		 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid
    37672 T4D
    ZINC000007308587    		 1 C13 H15 N3 O3 S InChI=1S/C13H15N3O3S/c1-1
    1(17)15-6-8-16(9-7-15)20(
    18,19)13-5-3-2-4-12(13)10
    -14/h2-5H,6-9H2,1H3;
    GOCXXCRVJCAULM-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N; N1
    (CCN(CC1)C(C)=O)S(c2ccccc2C#N)(=O)=O; CC
    (=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2C#N    		 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile
    37673 T4E
    CHEMBL2024114
    ZINC000084602037    		 4 C15 H11 Cl N4 O InChI=1S/C15H11ClN4O/c16-
    11-8-10(6-7-12(11)21)14-1
    3(18-15(17)20-19-14)9-4-2
    -1-3-5-9/h1-8,21H,(H2,17,
    18,20);
    ZHUZHTHIEMXLRA-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O;
    Nc1nnc(c2ccc(O)c(Cl)c2)c(n1)c3ccccc3; Cl
    c3cc(c1nnc(nc1c2ccccc2)N)ccc3O    		 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
    37674 T4F
    CHEMBL3933831
    ZINC000200999823    		 1 C25 H46 N4 O5 S InChI=1S/C25H46N4O5S/c1-2
    4(2)18-12-13-25(24,3)21(1
    6-18)27-22(30)20(15-17-9-
    5-4-6-10-17)29-35(33,34)2
    8-19(23(31)32)11-7-8-14-2
    6/h17-21,28-29H,4-16,26H2
    ,1-3H3,(H,27,30)(H,31,32)
    /t18-,19+,20+,21+,25+/m1/
    s1;
    IQHARPQKKWCGEY-PHGOAHNDSA-N    		 CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](C
    C3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O;
    C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[
    C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C
    (=O)O; CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)
    NC(=O)[C@H](CC3CCCCC3)N[S](=O)(=O)N[C@@H
    ](CCCCN)C(O)=O; CC1(C2CCC1(C(C2)NC(=O)C(
    CC3CCCCC3)NS(=O)(=O)NC(CCCCN)C(=O)O)C)C    		 (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid;
    tafCPB
    37675 T4G
    CHEMBL2024115
    ZINC000084602040    		 1 C16 H15 N5 InChI=1S/C16H15N5/c1-10-8
    -13(9-11(2)18-10)15-14(19
    -16(17)21-20-15)12-6-4-3-
    5-7-12/h3-9H,1-2H3,(H2,17
    ,19,21);
    SORFNYWLKDSNNF-UHFFFAOYSA-N    		 n2c(nnc(c1cc(nc(c1)C)C)c2c3ccccc3)N; Cc1
    cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3; Cc1cc(
    cc(C)n1)c2nnc(N)nc2c3ccccc3    		 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
    37676 T4H 1 C12 H11 Cl N2 O3 S InChI=1S/C12H11ClN2O3S/c1
    3-9-3-1-2-8(6-9)11(17)14-
    4-5-15-10(16)7-19-12(15)1
    8/h1-3,6H,4-5,7H2,(H,14,1
    7);
    CWILDSFKHIQHCJ-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O; Clc
    1cccc(c1)C(=O)NCCN2C(=O)CSC2=O    		 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide;
    ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide
    37677 T4I 1 C28 H24 N2 O5 InChI=1S/C28H24N2O5/c1-16
    -20(26(33)25-22(31)8-5-9-
    23(25)32)12-13-21-24(16)2
    7(34)30(28(35)29(21)2)15-
    17-10-11-18-6-3-4-7-19(18
    )14-17/h3-4,6-7,10-14,31H
    ,5,8-9,15H2,1-2H3;
    GHRJMVCPLXTDDU-UHFFFAOYSA-N    		 CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)c4c(C)c(c
    cc14)C(=O)C5=C(O)CCCC5=O; Cc1c(ccc2c1C(=
    O)N(C(=O)N2C)Cc3ccc4ccccc4c3)C(=O)C5=C(C
    CCC5=O)O    		 1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    37678 T4J 1 C13 H16 N2 O2 S InChI=1S/C13H16N2O2S/c1-1
    0(16)14-12-4-2-3-11(9-12)
    13(17)15-5-7-18-8-6-15/h2
    -4,9H,5-8H2,1H3,(H,14,16);
    GUMMRKWNILQOGK-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2; N1(CCSCC
    1)C(c2cccc(c2)NC(C)=O)=O    		 N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
    37679 T4K
    ZINC000098209432    		 12 C24 H35 N4 O19 P3 InChI=1S/C24H35N4O19P3/c1
    -10-7-28(24(34)27-22(10)3
    3)17-4-15(29)16(45-17)9-4
    3-49(38,39)47-50(40,41)46
    -23-21(32)20(31)18(12(3)4
    4-23)26-6-14-13(8-42-48(3
    5,36)37)5-25-11(2)19(14)3
    0/h5-7,12,15-18,20-21,23,
    29-32H,4,8-9H2,1-3H3,(H,3
    8,39)(H,40,41)(H,27,33,34
    )(H2,35,36,37)/b26-6+/t12
    -,15+,16-,17-,18-,20+,21-
    ,23-/m1/s1;
    LEIRFGMKEVPNBT-ZBVJAJKCSA-N    		 O=P(OC2OC(C(/N=C/c1c(cnc(c1O)C)COP(=O)(O
    )O)C(O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(
    =O)NC3=O)C)CC4O; C[C@H]1O[C@H](O[P@@](O)
    (=O)O[P@@](O)(=O)OC[C@H]2O[C@H](C[C@@H]2
    O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](O)[C
    @@H]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O; C[C
    H]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[
    CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[C
    H](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C
    2O)O)OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C
    (C(=O)NC4=O)C)O)C)O; Cc1c(c(c(cn1)COP(=O
    )(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([
    C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H
    ]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)
    C)O    		 (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
    37680 T4L
    ZINC000169702559    		 1 C19 H28 N8 O InChI=1S/C19H28N8O/c1-11(
    2)14-8-16(26-25-14)22-17-
    13-9-20-27-18(13)24-19(23
    -17)21-15(10-28)12-6-4-3-
    5-7-12/h8-9,11-12,15,28H,
    3-7,10H2,1-2H3,(H4,20,21,
    22,23,24,25,26,27)/t15-/m
    0/s1;
    ISQKTZJQIVTQSH-HNNXBMFYSA-N    		 CC(C)c1cc(n[nH]1)Nc2c3cn[nH]c3nc(n2)NC(C
    O)C4CCCCC4; CC(C)c1cc(n[nH]1)Nc2c3cn[nH]
    c3nc(n2)N[C@@H](CO)C4CCCCC4; CC(C)c1[nH]
    nc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc4[nH]ncc2
    4)c1; CC(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3
    [NH]ncc23)n[NH]1; CC(C)c1[nH]nc(Nc2nc(N[
    CH](CO)C3CCCCC3)nc4[nH]ncc24)c1    		 (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol
    37681 T4M
    ZINC000000387735    		 1 C14 H15 N O InChI=1S/C14H15NO/c1-10(1
    5-11(2)16)13-9-5-7-12-6-3
    -4-8-14(12)13/h3-10H,1-2H
    3,(H,15,16)/t10-/m1/s1;
    RFWQKLFRYNTMOB-SNVBAGLBSA-N    		 c1(cccc2c1cccc2)C(NC(=O)C)C; C[C@@H](c1c
    ccc2c1cccc2)NC(=O)C; CC(c1cccc2c1cccc2)N
    C(=O)C; C[CH](NC(C)=O)c1cccc2ccccc12; C[
    C@@H](NC(C)=O)c1cccc2ccccc12    		 N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
    37682 T4N
    ZINC000000052833    		 2 C13 H16 N2 O3 S InChI=1S/C13H16N2O3S/c1-1
    8-10-4-2-9(3-5-10)15-12(1
    6)8-11-13(17)14-6-7-19-11
    /h2-5,11H,6-8H2,1H3,(H,14
    ,17)(H,15,16)/t11-/m0/s1;
    NWPAXMXJJARHNG-NSHDSACASA-N    		 COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2; COc
    1ccc(cc1)NC(=O)CC2C(=O)NCCS2; COc1ccc(NC
    (=O)C[CH]2SCCNC2=O)cc1; COc1ccc(NC(=O)C[
    C@@H]2SCCNC2=O)cc1    		 ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide
    37683 T4O 1 C23 H21 Cl N4 O4 S InChI=1S/C23H21ClN4O4S/c1
    -14-17(23(29)27-33(30,31)
    28(2)3)13-18(16-9-11-26-2
    2(14)16)15-7-8-19(24)20(1
    2-15)32-21-6-4-5-10-25-21
    /h4-13,26H,1-3H3,(H,27,29
    );
    ABQBTGKORANNEM-UHFFFAOYSA-N    		 Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4ccccn4
    )Cl)C(=O)NS(=O)(=O)N(C)C; CN(C)[S](=O)(=
    O)NC(=O)c1cc(c2ccc(Cl)c(Oc3ccccn3)c2)c4c
    c[nH]c4c1C    		 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
    37684 T4P
    DB03973
    ZINC000032304140    		 4 C13 H21 N4 O11 P InChI=1S/C13H21N4O11P/c18
    -5-7(20)9(21)6(19)4-17-10
    -8(11(22)15-12(23)14-10)1
    6(13(17)24)2-1-3-28-29(25
    ,26)27/h6-7,9,18-21H,1-5H
    2,(H2,25,26,27)(H2,14,15,
    22,23)/t6-,7-,9-/m1/s1;
    KPHFGOGGKPGLTM-ZXFLCMHBSA-N    		 C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H
    ]([C@@H](CO)O)O)O)COP(=O)(O)O; OC[CH](O)
    [CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=O)
    C2=C1NC(=O)NC2=O; OC[C@@H](O)[C@H](O)[C@
    H](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=
    O)NC2=O; C(CN1C2=C(NC(=O)NC2=O)N(C1=O)CC
    (C(C(CO)O)O)O)COP(=O)(O)O; O=C1C2=C(NC(=
    O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O
    )CO    		 3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
    37685 T4Q 1 C17 H16 N2 O S2 InChI=1S/C17H16N2OS2/c18-
    12-13-6-1-3-8-15(13)22-16
    -9-4-2-7-14(16)17(20)19-1
    0-5-11-21/h1-4,6-9,21H,5,
    10-11H2,(H,19,20);
    GHSJGVJIDUIVOP-UHFFFAOYSA-N    		 SCCCNC(=O)c1ccccc1Sc2ccccc2C#N; c1ccc(c(
    c1)C#N)Sc2ccccc2C(=O)NCCCS    		 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide
    37686 T4R
    ZINC000089224608    		 1 C3 H3 I N2 InChI=1S/C3H3IN2/c4-3-1-2
    -5-6-3/h1-2H,(H,5,6);
    RUKDVLFJSMVBLV-UHFFFAOYSA-N    		 c1cn[nH]c1I; Ic1ccn[NH]1; Ic1[nH]ncc1 5-iodo-1H-pyrazole
    37687 T4S 0 C10 H15 N2 O7 P Se InChI=1S/C10H15N2O7PSe/c1
    -5-3-12(10(14)11-9(5)21)8
    -2-6(13)7(19-8)4-18-20(15
    ,16)17/h3,6-8,13H,2,4H2,1
    H3,(H,11,14,21)(H2,15,16,
    17)/t6-,7+,8+/m0/s1;
    HXENXQZDSWUILN-XLPZGREQSA-N    		 CC1=CN(C(=O)N=C1[SeH])C2CC(C(O2)COP(=O)(
    O)O)O; CC1=CN([CH]2C[CH](O)[CH](CO[P](O)
    (O)=O)O2)C(=O)N=C1[SeH]; CC1=CN([C@H]2C[
    C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1
    [SeH]; O=C1N=C([SeH])C(=CN1C2OC(C(O)C2)C
    OP(=O)(O)O)C; CC1=CN(C(=O)N=C1[SeH])[C@H
    ]2C[C@@H]([C@H](O2)COP(=O)(O)O)O    		 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-HYDROSELENO-5-METHYLPYRIMIDIN-2(1H)-ONE
    37688 T4T
    CHEMBL187734
    ZINC000008035065    		 2 C16 H32 O2 S InChI=1S/C16H32O2S/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-19-15-16(17)18/h2-15H2
    ,1H3,(H,17,18);
    IPBCWPPBAWQYOO-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCSCC(O)=O; CCCCCCCCCCCCCCSC
    C(=O)O    		 2-tetradecylsulfanylethanoic acid
    37689 T4U
    CHEMBL360328
    DB04871
    ZINC000006733300    		 3 C11 H14 Cl N InChI=1S/C11H14ClN/c1-8-7
    -13-5-4-9-2-3-10(12)6-11(
    8)9/h2-3,6,8,13H,4-5,7H2,
    1H3/t8-/m0/s1;
    XTTZERNUQAFMOF-QMMMGPOBSA-N    		 Clc1cc2c(CCNCC2C)cc1; C[C@H]1CNCCc2c1cc(
    cc2)Cl; C[CH]1CNCCc2ccc(Cl)cc12; C[C@H]1
    CNCCc2ccc(Cl)cc12; CC1CNCCc2c1cc(cc2)Cl    		 (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;
    Lorcaserin
    37690 T4V
    ZINC000019632960    		 2 C17 H20 N2 O InChI=1S/C17H20N2O/c1-14(
    20)19-11-9-18(10-12-19)13
    -16-7-4-6-15-5-2-3-8-17(1
    5)16/h2-8H,9-13H2,1H3;
    OCMXSYZDVBVSSV-UHFFFAOYSA-N    		 N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23; CC(=O
    )N1CCN(CC1)Cc2cccc3c2cccc3; CC(=O)N1CCN(
    CC1)Cc2cccc3ccccc23    		 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
    37691 T4W 1 C16 H14 N2 O S2 InChI=1S/C16H14N2OS2/c17-
    11-12-5-1-3-7-14(12)21-15
    -8-4-2-6-13(15)16(19)18-9
    -10-20/h1-8,20H,9-10H2,(H
    ,18,19);
    WBGJMSQTNYMXAQ-UHFFFAOYSA-N    		 SCCNC(=O)c1ccccc1Sc2ccccc2C#N; c1ccc(c(c
    1)C#N)Sc2ccccc2C(=O)NCCS    		 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide
    37692 T4X 1 C14 H9 F3 O4 InChI=1S/C14H9F3O4/c15-14
    (16,17)21-12-3-1-8(2-4-12
    )9-5-10(13(19)20)7-11(18)
    6-9/h1-7,18H,(H,19,20);
    GTYQGKSQYCEYBH-UHFFFAOYSA-N    		 OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2;
    c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F    		 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid
    37693 T4Y 1 C15 H22 N2 O InChI=1S/C15H22N2O/c1-13-
    6-3-4-7-15(13)12-16-8-5-9
    -17(11-10-16)14(2)18/h3-4
    ,6-7H,5,8-12H2,1-2H3;
    ADMDDIGRGVTLSU-UHFFFAOYSA-N    		 CC(=O)N1CCCN(CC1)Cc2ccccc2C; N2(CCCN(Cc1
    ccccc1C)CC2)C(=O)C; Cc1ccccc1CN2CCCN(CC2
    )C(=O)C    		 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
    37694 T4Z 1 C11 H14 Cl N O S2 InChI=1S/C11H14ClNOS2/c12
    -9-2-4-10(5-3-9)16-8-11(1
    4)13-6-1-7-15/h2-5,15H,1,
    6-8H2,(H,13,14);
    WUPWUIRPSWIHOS-UHFFFAOYSA-N    		 c1cc(ccc1SCC(=O)NCCCS)Cl; SCCCNC(=O)CSc1
    ccc(Cl)cc1    		 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
    37695 T50
    CHEMBL293961    		 1 C21 H14 F4 N2 InChI=1S/C21H14F4N2/c1-12
    -5-2-10-18-20(12)26-21(19
    -16(24)8-4-9-17(19)25)27(
    18)11-13-14(22)6-3-7-15(1
    3)23/h2-10H,11H2,1H3;
    JIYRSPUMGRIYBL-UHFFFAOYSA-N    		 Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)c4c(F)ccc
    c4F; Fc1cccc(F)c1Cn2c4cccc(c4nc2c3c(F)cc
    cc3F)C; Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c
    (cccc4F)F    		 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE
    37696 T51
    ZINC000584905698    		 1 C34 H35 N5 O5 InChI=1S/C34H35N5O5/c1-37
    -17-19-38(20-18-37)23-25-
    13-15-26(16-14-25)33(40)3
    5-22-28-7-2-3-8-29(28)24-
    44-32-12-5-4-11-31(32)36-
    34(41)27-9-6-10-30(21-27)
    39(42)43/h2-16,21H,17-20,
    22-24H2,1H3,(H,35,40)(H,3
    6,41);
    VZOUZIPPEQZPII-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc
    4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]; CN1
    CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4cc
    ccc4NC(=O)c5cccc(c5)[N+]([O-])=O; O=[N+]
    (c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC
    (=O)c4ccc(cc4)CN5CCN(CC5)C)[O-]    		 N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
    37697 T52 1 C30 H39 N4 O8 S InChI=1S/C30H38N4O8S/c1-6
    -12-40-20-14-21(41-13-8-7
    -11-31)16-22(15-20)42-28-
    19-26-25(33(2)30(35)34(26
    )3)18-24(28)32-43(36,37)2
    3-9-10-27(38-4)29(17-23)3
    9-5/h9-10,14-19,32H,6-8,1
    1-13,31H2,1-5H3/p+1;
    QPZLILYRGDXDKP-UHFFFAOYSA-O    		 CCCOc1cc(OCCCC[NH3+])cc(Oc2cc3N(C)C(=O)N
    (C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1;
    CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4c
    cc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+]    		 N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide;
    ~{N}-[6-[3-(4-azanylbutoxy)-5-propoxy-phenoxy]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]-3,4-dimethoxy-benzenesulfonamide
    37698 T53
    ZINC000584905696    		 1 C34 H35 N5 O5 InChI=1S/C34H35N5O5/c1-37
    -16-18-38(19-17-37)23-25-
    12-14-28(15-13-25)33(40)3
    5-22-26-6-4-7-27(20-26)24
    -44-32-11-3-2-10-31(32)36
    -34(41)29-8-5-9-30(21-29)
    39(42)43/h2-15,20-21H,16-
    19,22-24H2,1H3,(H,35,40)(
    H,36,41);
    SBYMRRQFPFQPFC-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(COc4
    ccccc4NC(=O)c5cccc(c5)[N+]([O-])=O)c3; C
    N1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)CO
    c4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]; O=
    [N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc
    (ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C    		 N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
    37699 T54 1 C10 H13 N O S InChI=1S/C10H13NOS/c11-10
    (12)9-3-1-2-8(9)7-4-5-13-
    6-7/h4-6,8-9H,1-3H2,(H2,1
    1,12)/t8-,9-/m1/s1;
    GQGCCJATUDDTKK-RKDXNWHRSA-N    		 NC(=O)[C@H]1CCC[C@H]1c2cscc2; c1c(csc1)C
    2C(C(N)=O)CCC2; c1cscc1[C@@H]2CCC[C@@H]2
    C(=O)N; c1cscc1C2CCCC2C(=O)N; NC(=O)[CH]
    1CCC[CH]1c2cscc2    		 (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
    37700 T55
    ZINC000002043770    		 9 C10 H20 O2 InChI=1S/C10H20O2/c1-9(2)
    7-5-3-4-6-8-10(11)12/h9H,
    3-8H2,1-2H3,(H,11,12);
    OAOABCKPVCUNKO-UHFFFAOYSA-N    		 CC(C)CCCCCCC(O)=O; O=C(N)CCCCCCC(C)C; CC
    (C)CCCCCCC(=O)O    		 8-METHYLNONANOIC ACID
    37701 T56 2 C15 H11 N O3 InChI=1S/C15H11NO3/c17-14
    (16-18)9-8-10-4-3-6-12-11
    -5-1-2-7-13(11)19-15(10)1
    2/h1-9,18H,(H,16,17)/b9-8
    +;
    KLEYDFVKAXXYIY-CMDGGOBGSA-N    		 ONC(=O)C=Cc1cccc2c1oc3ccccc23; c1ccc2c(c
    1)c3cccc(c3o2)C=CC(=O)NO; c1ccc2c(c1)c3c
    ccc(c3o2)/C=C/C(=O)NO; ONC(=O)/C=C/c1ccc
    c2c1oc3ccccc23    		 (E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide
    37702 T57
    CHEMBL3427435
    DB14965
    ZINC000098209433    		 1 C28 H40 F N4 O14 P InChI=1S/C28H40FN4O14P/c2
    9-18-9-7-17(8-10-18)25(38
    )30-15-3-1-2-6-22(34)32-2
    0(27(41)42)11-13-23(35)31
    -19(26(39)40)5-4-16-47-48
    (45,46)33-21(28(43)44)12-
    14-24(36)37/h7-10,19-21H,
    1-6,11-16H2,(H,30,38)(H,3
    1,35)(H,32,34)(H,36,37)(H
    ,39,40)(H,41,42)(H,43,44)
    (H2,33,45,46)/t19-,20-,21
    -/m0/s1;
    IZLOSIXADNUSCM-ACRUOGEOSA-N    		 c1cc(ccc1C(=O)NCCCCCC(=O)NC(CCC(=O)NC(CC
    COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O
    )O)F; c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](C
    CC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O
    )C(=O)O)O)C(=O)O)C(=O)O)F; OC(=O)CC[CH](
    N[P](O)(=O)OCCC[CH](NC(=O)CC[CH](NC(=O)C
    CCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)
    =O; O=C(c1ccc(F)cc1)NCCCCCC(=O)NC(C(=O)O
    )CCC(=O)NC(C(=O)O)CCCOP(=O)(O)NC(C(=O)O)
    CCC(=O)O; OC(=O)CC[C@H](N[P](O)(=O)OCCC[
    C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1cc
    c(F)cc1)C(O)=O)C(O)=O)C(O)=O    		 N-{6-[(4-fluorobenzoyl)amino]hexanoyl}-L-gamma-glutamyl-5-{[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-L-norvaline
    37703 T58
    CHEMBL4868302    		 1 C43 H53 N O9 InChI=1S/C43H53NO9/c1-47-
    36-21-19-29(25-37(36)48-2
    )18-20-35-31-15-12-16-33(
    26-31)51-23-10-11-24-52-3
    9-28-32(27-38(49-3)41(39)
    50-4)40(30-13-6-5-7-14-30
    )42(45)44-22-9-8-17-34(44
    )43(46)53-35/h10-12,15-16
    ,19,21,25-28,30,34-35,40H
    ,5-9,13-14,17-18,20,22-24
    H2,1-4H3/b11-10+/t34-,35+
    ,40-/m0/s1;
    NDUCBUBAJQQVOX-YBMMQTEXSA-N    		 COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH
    ](C4CCCCC4)c5cc(OC)c(OC)c(OCC=CCOc6cccc2
    c6)c5)cc1OC; COc1ccc(cc1OC)CCC2c3cccc(c3
    )OCC=CCOc4cc(cc(c4OC)OC)C(C(=O)N5CCCCC5C
    (=O)O2)C6CCCCC6; COc1ccc(cc1OC)CC[C@@H]2
    c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H
    ](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6; COc
    1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@
    @H](C4CCCCC4)c5cc(OC)c(OC)c(OC/C=C/COc6c
    ccc2c6)c5)cc1OC    		 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione
    37704 T5A
    CHEMBL1236157
    DB03280
    ZINC000169331553    		 21 C20 H30 N7 O23 P5 InChI=1S/C20H30N7O23P5/c1
    -8-3-26(20(32)25-18(8)31)
    12-2-9(28)10(45-12)4-43-5
    1(33,34)47-53(37,38)49-55
    (41,42)50-54(39,40)48-52(
    35,36)44-5-11-14(29)15(30
    )19(46-11)27-7-24-13-16(2
    1)22-6-23-17(13)27/h3,6-7
    ,9-12,14-15,19,28-30H,2,4
    -5H2,1H3,(H,33,34)(H,35,3
    6)(H,37,38)(H,39,40)(H,41
    ,42)(H2,21,22,23)(H,25,31
    ,32)/t9-,10+,11+,12+,14+,
    15+,19+/m0/s1;
    JCFDSPQTEMXXLO-SLFMBYJQSA-N    		 CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)nc
    nc45)O2)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2
    CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]
    ([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@
    @](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@
    H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)
    O)O)O; CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P
    @](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)O[P@](
    O)(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](
    O)[C@@H]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=
    O    		 P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE
    37705 T5B
    CHEMBL4871144    		 1 C43 H55 N O11 InChI=1S/C43H55NO11/c1-49
    -36-19-17-27(21-37(36)50-
    2)16-18-35-29-13-10-14-31
    (22-29)53-25-33(45)34(46)
    26-54-39-24-30(23-38(51-3
    )41(39)52-4)40(28-11-6-5-
    7-12-28)42(47)44-20-9-8-1
    5-32(44)43(48)55-35/h10,1
    3-14,17,19,21-24,28,32-35
    ,40,45-46H,5-9,11-12,15-1
    6,18,20,25-26H2,1-4H3/t32
    -,33+,34+,35+,40-/m0/s1;
    KMMZNLFAOHLXKG-NXKLTUDVSA-N    		 COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH
    ](C4CCCCC4)c5cc(OC)c(OC)c(OC[CH](O)[CH](
    O)COc6cccc2c6)c5)cc1OC; COc1ccc(cc1OC)CC
    C2c3cccc(c3)OCC(C(COc4cc(cc(c4OC)OC)C(C(
    =O)N5CCCCC5C(=O)O2)C6CCCCC6)O)O; COc1ccc
    (cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H]
    (COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@
    H]5C(=O)O2)C6CCCCC6)O)O; COc1ccc(CC[C@H]
    2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C4CCCCC4
    )c5cc(OC)c(OC)c(OC[C@@H](O)[C@H](O)COc6c
    ccc2c6)c5)cc1OC    		 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione
    37706 T5C
    ZINC000085537050    		 7 C32 H39 N2 O12 S4 InChI=1S/C32H38N2O12S4/c1
    -22(8-6-10-29-31(2,3)25-2
    0-23(49(41,42)43)12-14-27
    (25)33(29)16-18-47(35,36)
    37)9-7-11-30-32(4,5)26-21
    -24(50(44,45)46)13-15-28(
    26)34(30)17-19-48(38,39)4
    0/h6-15,20-21H,16-19H2,1-
    5H3,(H3-,35,36,37,38,39,4
    0,41,42,43,44,45,46)/p+1;
    WKWHOLCUESSZIQ-UHFFFAOYSA-O    		 CC(=CC=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O
    )O)CCS(=O)(=O)O)C=CC=C3C(c4cc(ccc4N3CCS(
    =O)(=O)O)S(=O)(=O)O)(C)C; C\C(=C/C=CC1=[
    N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=
    O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O
    )S(=O)(=O)O)(C)C; CC(/C=C/C=C1/N(CC[S](O
    )(=O)=O)c2ccc(cc2C1(C)C)[S](O)(=O)=O)=C\
    C=C\C3=[N+](CC[S](O)(=O)=O)c4ccc(cc4C3(C
    )C)[S](O)(=O)=O; CC(C=CC=C1N(CC[S](O)(=O
    )=O)c2ccc(cc2C1(C)C)[S](O)(=O)=O)=CC=CC3
    =[N+](CC[S](O)(=O)=O)c4ccc(cc4C3(C)C)[S]
    (O)(=O)=O; O=S(=O)(O)CC[N+]=2c1ccc(cc1C(
    C=2\C=C\C=C(\C=C\C=C4\N(c3ccc(cc3C4(C)C)
    S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)
    O    		 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM;
    TETRASULFOCYANINE
    37707 T5D
    ZINC000084333727    		 1 C11 H15 N O InChI=1S/C11H15NO/c13-9-1
    1(6-2-3-7-11)10-5-1-4-8-1
    2-10/h1,4-5,8,13H,2-3,6-7
    ,9H2;
    NQXVUFAYASZGFN-UHFFFAOYSA-N    		 c1ccnc(c1)C2(CCCC2)CO; c1ccc(nc1)C2(CCCC
    2)CO; OCC1(CCCC1)c2ccccn2    		 [1-(pyridin-2-yl)cyclopentyl]methanol
    37708 T5E
    CHEMBL1269246
    ZINC000150345573    		 0 C50 H80 N12 O4 InChI=1S/C50H80N12O4/c1-5
    3-21-29-57(30-22-53)15-7-
    5-13-51-41-37-39-44-43-40
    (48(64)61(49(65)45(41)43)
    19-11-9-17-59-33-25-55(3)
    26-34-59)38-42(52-14-6-8-
    16-58-31-23-54(2)24-32-58
    )46(44)50(66)62(47(39)63)
    20-12-10-18-60-35-27-56(4
    )28-36-60/h37-38,51-52H,5
    -36H2,1-4H3;
    ZQKCDGPBUJAXIX-UHFFFAOYSA-N    		 CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c
    5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN
    7CCN(CC7)C)CCCCN8CCN(CC8)C; CN1CCN(CCCCN
    c2cc3C(=O)N(CCCCN4CCN(C)CC4)C(=O)c5c(NCC
    CCN6CCN(C)CC6)cc7C(=O)N(CCCCN8CCN(C)CC8)
    C(=O)c2c7c35)CC1; O=C6c2c5c3c(c(NCCCCN1C
    CN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCCN4CCN(
    C)CC4)c5C(=O)N6CCCCN7CCN(CC7)C)CCCCN8CCN
    (C)CC8    		 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2H,7H)-tetrone;
    BMSG-SH2
    37709 T5F 1 C25 H44 N4 O5 S InChI=1S/C25H44N4O5S/c26-
    9-5-4-8-21(24(31)32)28-35
    (33,34)29-22(13-17-6-2-1-
    3-7-17)23(30)27-25-14-18-
    10-19(15-25)12-20(11-18)1
    6-25/h17-22,28-29H,1-16,2
    6H2,(H,27,30)(H,31,32)/t1
    8-,19+,20-,21-,22-,25-/m0
    /s1;
    ABGAZACYUFFMDV-KBGBRKOKSA-N    		 C1CCC(CC1)CC(C(=O)NC23CC4CC(C2)CC(C4)C3)
    NS(=O)(=O)NC(CCCCN)C(=O)O; C1CCC(CC1)C[C
    @@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=
    O)N[C@@H](CCCCN)C(=O)O; NCCCC[CH](N[S](=
    O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(
    C4)C2)C3)C(O)=O; NCCCC[C@H](N[S](=O)(=O)
    N[C@@H](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C
    2)C3)C(O)=O    		 (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid;
    tafCPB
    37710 T5G
    CHEMBL178852
    ZINC000004369096    		 1 C6 H6 Br N O2 S InChI=1S/C6H6BrNO2S/c7-5-
    1-3-6(4-2-5)11(8,9)10/h1-
    4H,(H2,8,9,10);
    STYQHICBPYRHQK-UHFFFAOYSA-N    		 c1cc(ccc1S(=O)(=O)N)Br; N[S](=O)(=O)c1cc
    c(Br)cc1; c1c(ccc(c1)Br)S(N)(=O)=O    		 4-bromobenzene-1-sulfonamide
    37711 T5H 1 C43 H55 N O11 InChI=1S/C43H55NO11/c1-49
    -36-19-17-27(21-37(36)50-
    2)16-18-35-29-13-10-14-31
    (22-29)53-25-33(45)34(46)
    26-54-41-38(51-3)23-30(24
    -39(41)52-4)40(28-11-6-5-
    7-12-28)42(47)44-20-9-8-1
    5-32(44)43(48)55-35/h10,1
    3-14,17,19,21-24,28,32-35
    ,40,45-46H,5-9,11-12,15-1
    6,18,20,25-26H2,1-4H3/t32
    -,33+,34-,35+,40-/m0/s1;
    PBDSFPLSNACCRE-SWQWFPQGSA-N    		 COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]
    ([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC
    [C@H]5C(=O)O2)C6CCCCC6)OC)O)O; COc1ccc(C
    C[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C4
    CCCCC4)c5cc(OC)c(OC[C@H](O)[C@H](O)COc6c
    ccc2c6)c(OC)c5)cc1OC; COc1ccc(cc1OC)CCC2
    c3cccc(c3)OCC(C(COc4c(cc(cc4OC)C(C(=O)N5
    CCCCC5C(=O)O2)C6CCCCC6)OC)O)O; COc1ccc(C
    C[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC
    4)c5cc(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)
    c(OC)c5)cc1OC    		 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione
    37712 T5I 1 C19 H25 Cl O6 S Si InChI=1S/C19H25ClO6SSi/c1
    -27(24,25)15-9-8-12(17(20
    )19(15)26-10-11-28(2,3)4)
    18(23)16-13(21)6-5-7-14(1
    6)22/h8-9,21H,5-7,10-11H2
    ,1-4H3;
    UGVCBTJADGMNTL-UHFFFAOYSA-N    		 C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)
    C(=O)C2=C(O)CCCC2=O; C[Si](C)(C)CCOc1c(c
    cc(c1Cl)C(=O)C2=C(CCCC2=O)O)S(=O)(=O)C    		 2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one
    37713 T5J
    ZINC000004961150    		 1 C17 H15 F N2 O InChI=1S/C17H15FN2O/c1-10
    -6-7-12(9-13(10)18)19-16-
    8-11(2)17-14(20-16)4-3-5-
    15(17)21/h3-9,21H,1-2H3,(
    H,19,20);
    YIACXICIQWGRMA-UHFFFAOYSA-N    		 Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C; Cc1cc
    c(Nc2cc(C)c3c(O)cccc3n2)cc1F    		 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol
    37714 T5K
    ZINC000263620695    		 11 C24 H35 N4 O19 P3 InChI=1S/C24H35N4O19P3/c1
    -10-7-28(24(34)27-22(10)3
    3)17-4-15(29)16(45-17)9-4
    3-49(38,39)47-50(40,41)46
    -23-21(32)20(31)18(12(3)4
    4-23)26-6-14-13(8-42-48(3
    5,36)37)5-25-11(2)19(14)3
    0/h5-7,12,15-18,20-21,23,
    29-32H,4,8-9H2,1-3H3,(H,3
    8,39)(H,40,41)(H,27,33,34
    )(H2,35,36,37)/b26-6+/t12
    -,15+,16-,17-,18+,20+,21-
    ,23-/m1/s1;
    LEIRFGMKEVPNBT-QBLVGKJYSA-N    		 C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C
    @H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)
    [C@H](O)[C@@H](O)[C@H]1N=Cc4c(O)c(C)ncc4
    CO[P](O)(O)=O; C[CH]1O[CH](O[P](O)(=O)O[
    P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(
    =O)NC3=O)[CH](O)[CH](O)[CH]1N=Cc4c(O)c(C
    )ncc4CO[P](O)(O)=O; Cc1c(c(c(cn1)COP(=O)
    (O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@
    H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](
    C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O; Cc1
    c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)O)
    OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O
    )NC4=O)C)O)C)O; CC1C(C(C(C(O1)OP(OP(=O)(
    O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O)(=O)O)O
    )O)\N=C\c4c(cnc(C)c4O)COP(O)(O)=O    		 [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
    37715 T5L
    ZINC000000122702    		 8 C8 H12 O4 InChI=1S/C8H12O4/c9-7(10)
    5-3-1-2-4-6(5)8(11)12/h5-
    6H,1-4H2,(H,9,10)(H,11,12
    )/t5-,6-/m1/s1;
    QSAWQNUELGIYBC-PHDIDXHHSA-N    		 OC(=O)[CH]1CCCC[CH]1C(O)=O; C1CC[C@H]([C
    @@H](C1)C(=O)O)C(=O)O; OC(=O)[C@@H]1CCCC
    [C@H]1C(O)=O; C1CCC(C(C1)C(=O)O)C(=O)O    		 (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid
    37716 T5M
    CHEMBL1236159
    ZINC000058638468    		 1 C19 H21 N O2 InChI=1S/C19H21NO2/c1-19(
    2,3)16-10-13(8-9-17(16)21
    )18(22)20-11-14-6-4-5-7-1
    5(14)12-20/h4-10,21H,11-1
    2H2,1-3H3;
    AGHRSYDXIACWAH-UHFFFAOYSA-N    		 O=C(c1ccc(O)c(c1)C(C)(C)C)N3Cc2ccccc2C3;
    CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2    		 2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL
    37717 T5N 1 C12 H16 Br N O2 S InChI=1S/C12H16BrNO2S/c1-
    12(2,11(15)14-7-8-17)16-1
    0-5-3-9(13)4-6-10/h3-6,17
    H,7-8H2,1-2H3,(H,14,15);
    KYRLGFWGXVFTSV-UHFFFAOYSA-N    		 CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br; CC(C)(Oc1
    ccc(Br)cc1)C(=O)NCCS    		 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    37718 T5O
    ZINC000013514791    		 0 C10 H15 N2 O9 P InChI=1S/C10H15N2O9P/c1-1
    9-6-3-12(10(15)11-9(6)14)
    8-2-5(13)7(21-8)4-20-22(1
    6,17)18/h3,5,7-8,13H,2,4H
    2,1H3,(H,11,14,15)(H2,16,
    17,18)/t5-,7+,8+/m0/s1;
    GEADDYZDICTQHP-UIISKDMLSA-N    		 COC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O
    )=O)O2)C(=O)NC1=O; COC1=CN(C(=O)NC1=O)[C
    @H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O; COC1
    =CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C
    (=O)NC1=O; COC1=CN(C(=O)NC1=O)C2CC(C(O2)
    COP(=O)(O)O)O; O=P(O)(O)OCC2OC(N1C(=O)NC
    (=O)C(OC)=C1)CC2O    		 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate);
    5-methoxy-2'-deoxyuridine-5'-phosphate
    37719 T5P
    CHEMBL477508
    DB02290
    ZINC000012501842    		 2 C13 H21 N4 O11 P InChI=1S/C13H21N4O11P/c18
    -5-7(20)9(21)6(19)4-17-10
    -8(11(22)15-12(23)14-10)1
    6(13(17)24)2-1-3-28-29(25
    ,26)27/h6-7,9,18-21H,1-5H
    2,(H2,25,26,27)(H2,14,15,
    22,23)/t6-,7+,9-/m0/s1;
    KPHFGOGGKPGLTM-OOZYFLPDSA-N    		 C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@
    @H]([C@@H](CO)O)O)O)COP(=O)(O)O; OC[CH](
    O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=
    O)C2=C1NC(=O)NC2=O; C(CN1C2=C(NC(=O)NC2=
    O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(O)O; O=
    C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)C
    C(O)C(O)C(O)CO; OC[C@@H](O)[C@@H](O)[C@@
    H](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=
    O)NC2=O    		 3-{2,6,8-TRIOXO-9-[(2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
    37720 T5Q 1 C12 H15 F2 N O2 S InChI=1S/C12H15F2NO2S/c1-
    12(2,11(16)15-3-4-18)17-1
    0-6-8(13)5-9(14)7-10/h5-7
    ,18H,3-4H2,1-2H3,(H,15,16
    );
    HNNHYHUTCFDRHL-UHFFFAOYSA-N    		 CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F; CC(C)(O
    c1cc(F)cc(F)c1)C(=O)NCCS    		 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    37721 T5R 1 C23 H18 F3 N O4 S InChI=1S/C23H18F3NO4S/c24
    -23(25,26)15-7-4-13(5-8-1
    5)11-27-16-10-14(6-9-19(1
    6)32-12-20(27)30)22(31)21
    -17(28)2-1-3-18(21)29/h4-
    10,28H,1-3,11-12H2;
    JAWDWPMQSRZCPA-UHFFFAOYSA-N    		 c1cc(ccc1CN2c3cc(ccc3SCC2=O)C(=O)C4=C(CC
    CC4=O)O)C(F)(F)F; OC1=C(C(=O)CCC1)C(=O)c
    2ccc3SCC(=O)N(Cc4ccc(cc4)C(F)(F)F)c3c2    		 6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one
    37722 T5S 0 C10 H15 N2 O8 P Se InChI=1S/C10H15N2O8PSe/c1
    -22-7-3-12(10(15)11-9(7)1
    4)8-2-5(13)6(20-8)4-19-21
    (16,17)18/h3,5-6,8,13H,2,
    4H2,1H3,(H,11,14,15)(H2,1
    6,17,18)/t5-,6+,8+/m0/s1;
    KJNLUXBKSKRISX-SHYZEUOFSA-N    		 C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H
    ](O2)COP(=O)(O)O)O; C[Se]C1=CN([C@H]2C[C
    @H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
    ; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C([Se]C)=
    C1)CC2O; C[Se]C1=CN(C(=O)NC1=O)C2CC(C(O2
    )COP(=O)(O)O)O; C[Se]C1=CN([CH]2C[CH](O)
    [CH](CO[P](O)(O)=O)O2)C(=O)NC1=O    		 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
    37723 T5T 1 C12 H16 F N O2 S InChI=1S/C12H16FNO2S/c1-1
    2(2,11(15)14-7-8-17)16-10
    -5-3-9(13)4-6-10/h3-6,17H
    ,7-8H2,1-2H3,(H,14,15);
    MOXSQMDQKZBNSI-UHFFFAOYSA-N    		 CC(C)(Oc1ccc(F)cc1)C(=O)NCCS; CC(C)(C(=O
    )NCCS)Oc1ccc(cc1)F    		 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    37724 T5U
    CHEMBL3684869
    ZINC000113978348    		 1 C13 H18 N2 O InChI=1S/C13H18N2O/c1-2-1
    0(11-6-4-3-5-7-11)8-12-9-
    16-13(14)15-12/h3-7,10,12
    H,2,8-9H2,1H3,(H2,14,15)/
    t10-,12-/m0/s1;
    IXDKFUBXESWHSL-JQWIXIFHSA-N    		 CC[C@@H](C[C@H]1COC(=N)N1)c2ccccc2; [H]/
    N=C\1/N[C@H](CO1)C[C@H](CC)c2ccccc2; CCC
    (CC1COC(=N)N1)c2ccccc2; CC[CH](C[CH]1COC
    (=N)N1)c2ccccc2    		 (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine;
    RO5256390
    37725 T5V
    ZINC000001593931    		 8 C4 H5 N3 InChI=1S/C4H5N3/c5-4-1-6-
    3-7-2-4/h1-3H,5H2;
    FVLAYJRLBLHIPV-UHFFFAOYSA-N    		 c1c(cncn1)N; n1cncc(N)c1; Nc1cncnc1 pyrimidin-5-amine
    37726 T5W 1 C12 H15 Cl2 N O2 S InChI=1S/C12H15Cl2NO2S/c1
    -12(2,11(16)15-3-4-18)17-
    10-6-8(13)5-9(14)7-10/h5-
    7,18H,3-4H2,1-2H3,(H,15,1
    6);
    BCCNIIUPNMZPKC-UHFFFAOYSA-N    		 CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl; CC(C)
    (Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS    		 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    37727 T5X
    ZINC000024933683    		 5 C17 H30 N4 O15 P3 S InChI=1S/C17H29N4O15P3S/c
    1-9-13(3-4-34-39(32,33)36
    -38(29,30)31)40-16(21(9)6
    -11-5-19-10(2)20-15(11)18
    )17(25,8-22)14(24)12(23)7
    -35-37(26,27)28/h5,12,14,
    22-25H,3-4,6-8H2,1-2H3,(H
    6-,18,19,20,26,27,28,29,3
    0,31,32,33)/p+1/t12-,14+,
    17+/m1/s1;
    CRLXIEJPMQNLRP-IFIJOSMWSA-O    		 O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2c
    nc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO; Cc
    1ncc(C[n+]2c(C)c(CCO[P@](O)(=O)O[P](O)(O
    )=O)sc2[C@](O)(CO)[C@@H](O)[C@H](O)CO[P]
    (O)(O)=O)c(N)n1; Cc1ncc(C[n+]2c(C)c(CCO[
    P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CO)[CH](
    O)[CH](O)CO[P](O)(O)=O)c(N)n1; Cc1c(sc([
    n+]1Cc2cnc(nc2N)C)C(CO)(C(C(COP(=O)(O)O)
    O)O)O)CCOP(=O)(O)OP(=O)(O)O; Cc1c(sc([n+
    ]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](CO
    P(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)
    O    		 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol;
    D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT
    37728 T5Y
    CHEMBL662
    ZINC000008737707    		 15 C5 H5 N O InChI=1S/C5H5NO/c7-5-3-1-
    2-4-6-5/h1-4H,(H,6,7);
    UBQKCCHYAOITMY-UHFFFAOYSA-N    		 c1nc(O)ccc1; c1ccnc(c1)O; Oc1ccccn1 pyridin-2-ol
    37729 T5Z 1 C13 H18 Br N O3 S InChI=1S/C13H18BrNO3S/c1-
    13(2,12(16)15-6-7-19)18-9
    -4-5-10(14)11(8-9)17-3/h4
    -5,8,19H,6-7H2,1-3H3,(H,1
    5,16);
    QVVVMZSMTQUOMU-UHFFFAOYSA-N    		 CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br; COc1c
    c(OC(C)(C)C(=O)NCCS)ccc1Br    		 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    37730 T60 8 C20 H20 N4 O3 InChI=1S/C20H20N4O3/c1-2-
    27-19(25)16-6-8-17(9-7-16
    )23-20(26)21-14-15-4-10-1
    8(11-5-15)24-13-3-12-22-2
    4/h3-13H,2,14H2,1H3,(H2,2
    1,23,26);
    KQUKHINHCUELQL-UHFFFAOYSA-N    		 CCOC(=O)c1ccc(NC(=O)NCc2ccc(cc2)n3cccn3)
    cc1; CCOC(=O)c1ccc(cc1)NC(=O)NCc2ccc(cc2
    )n3cccn3    		 ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate;
    ethyl 4-(3-(4-(1H-pyrazol-1-yl)benzyl)ureido)benzoate
    37731 T61
    CHEMBL3797843
    ZINC000653852787    		 4 C14 H11 Cl N2 O3 InChI=1S/C14H11ClN2O3/c15
    -11-7-6-10(14(19)17-20)8-
    12(11)16-13(18)9-4-2-1-3-
    5-9/h1-8,20H,(H,16,18)(H,
    17,19);
    BBBOKCZDRCMPOZ-UHFFFAOYSA-N    		 ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1; c1c
    cc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO    		 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide
    37732 T62
    CHEMBL3309986
    ZINC000098209436    		 1 C16 H13 N5 O2 InChI=1S/C16H13N5O2/c17-1
    6-19-15-12-3-1-2-4-13(12)
    18-14(21(15)20-16)7-9-5-1
    0(22)8-11(23)6-9/h1-6,8,2
    2-23H,7H2,(H2,17,20);
    DXCBGOVJQFRCDX-UHFFFAOYSA-N    		 n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4;
    c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O
    )N; Nc1nn2c(Cc3cc(O)cc(O)c3)nc4ccccc4c2n
    1    		 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
    37733 T63
    ZINC000020283025    		 2 C10 H8 N2 O InChI=1S/C10H8N2O/c13-9-6
    -11-10(12-7-9)8-4-2-1-3-5
    -8/h1-7,13H;
    VXOJYMHSOARYSV-UHFFFAOYSA-N    		 c1ccc(cc1)c2ncc(cn2)O; Oc1cnc(nc1)c2cccc
    c2; Oc1cnc(nc1)c1ccccc1    		 2-phenylpyrimidin-5-ol
    37734 T64
    ZINC000263620425    		 0 C20 H28 N4 O15 P2 InChI=1S/C20H28N4O15P2/c1
    -8-5-23-13-3-9(25)11(37-1
    3)6-36-41(33,34)39-10-4-1
    4(38-12(10)7-35-40(30,31)
    32)24-16(15(8)21-18(23)27
    )20(2,29)17(26)22-19(24)2
    8/h5,9-14,16,25,29H,3-4,6
    -7H2,1-2H3,(H,33,34)(H,22
    ,26,28)(H2,30,31,32)/t9-,
    10-,11+,12+,13+,14+,16-,2
    0+/m0/s1;
    FMDCHCYHBVGOEO-IWBSTULPSA-N    		 CC1=C[N]2[CH]3C[CH](O)[CH](CO[P](O)(=O)O
    [CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5[CH](C1
    =NC2=O)[C](C)(O)C(=O)NC5=O)O3; OP(OCC5C3
    CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)
    COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O; CC1
    =CN2C3CC(C(O3)COP(=O)(OC4CC(N5C(C1=NC2=O
    )C(C(=O)NC5=O)(C)O)OC4COP(=O)(O)O)O)O; P
    (=O)(OC[C@@H]1[C@H]2OP(OC[C@@H]3[C@H](C[
    C@H](N4C(N=C([C@H]5[C@@](C(NC(N5[C@H](O1
    )C2)=O)=O)(C)O)C(=C4)C)=O)O3)O)(=O)O)(O)
    O; CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)
    (O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C
    (=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O    		 (6-4)photoproduct;
    [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21- tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate
    37735 T65 1 C18 H31 N O3 InChI=1S/C18H31NO3/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-17(20)15-19-16-18(21)2
    2/h11-12,15H,2-10,13-14,1
    6H2,1H3,(H,21,22)/b12-11+
    ,19-15+;
    YSSZBWQPDXCJEP-IHFZGXTKSA-N    		 CCCCCCCCCC\C=C\CCC(=O)C=NCC(O)=O; CCCCCC
    CCCCC=CCCC(=O)C=NCC(=O)O; CCCCCCCCCCC=CC
    CC(=O)C=NCC(O)=O; CCCCCCCCCC/C=C/CCC(=O)
    /C=N/CC(=O)O    		 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid
    37736 T66
    ZINC000033821525    		 0 C15 H25 N5 O5 InChI=1S/C15H25N5O5/c1-10
    -8-19(15(25)18-13(10)22)9
    -12(21)20(7-6-17)11(14(23
    )24)4-2-3-5-16/h8,11H,2-7
    ,9,16-17H2,1H3,(H,23,24)(
    H,18,22,25)/t11-/m1/s1;
    BJZZFRWPJGBSSZ-LLVKDONJSA-N    		 CC1=CN(CC(=O)N(CCN)[CH](CCCCN)C(O)=O)C(=
    O)NC1=O; CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)C
    (CCCCN)C(=O)O; CC1=CN(C(=O)NC1=O)CC(=O)N
    (CCN)[C@H](CCCCN)C(=O)O; CC1=CN(CC(=O)N(
    CCN)[C@H](CCCCN)C(O)=O)C(=O)NC1=O; O=C(N
    (C(C(=O)O)CCCCN)CCN)CN1C=C(C(=O)NC1=O)C    		 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-THYMINE
    37737 T67 1 C14 H18 N4 O InChI=1S/C14H18N4O/c1-17-
    5-7-18(8-6-17)13(19)9-11-
    10-16-14-12(11)3-2-4-15-1
    4/h2-4,10H,5-9H2,1H3,(H,1
    5,16);
    XAAUHRXDRLNFFL-UHFFFAOYSA-N    		 N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C; CN1CCN
    (CC1)C(=O)Cc2c[nH]c3c2cccn3; CN1CCN(CC1)
    C(=O)Cc2c[nH]c3ncccc23    		 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
    37738 T68
    CHEMBL3322308
    ZINC000095920923    		 1 C13 H17 N3 O7 InChI=1S/C13H17N3O7/c17-5
    -7-8(18)9(19)10(20)12(23-
    7)16-13(22)15-11(21)6-3-1
    -2-4-14-6/h1-4,7-10,12,17
    -20H,5H2,(H2,15,16,21,22)
    /t7-,8-,9+,10-,12-/m1/s1;
    CGKGUAIYBUNWNI-WSOSLHDDSA-N    		 OC[CH]1O[CH](NC(=O)NC(=O)c2ccccn2)[CH](O
    )[CH](O)[CH]1O; c1ccnc(c1)C(=O)NC(=O)NC2
    C(C(C(C(O2)CO)O)O)O; c1ccnc(c1)C(=O)NC(=
    O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO
    )O)O)O; OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc
    ccn2)[C@H](O)[C@@H](O)[C@@H]1O; O=C(NC1O
    C(C(O)C(O)C1O)CO)NC(=O)c2ncccc2    		 N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine;
    N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine;
    N-[(pyridin-2-ylcarbonyl)carbamoyl]-D-glucosylamine;
    N-[(pyridin-2-ylcarbonyl)carbamoyl]-glucosylamine
    37739 T69 0 C19 H35 N O4 S InChI=1S/C19H35NO4S/c1-11
    (8-16(22)19(4,5)6)7-15(21
    )13(3)17-20-14(10-25-17)9
    -12(2)18(23)24/h9,11,13-1
    7,20-22H,7-8,10H2,1-6H3,(
    H,23,24)/b12-9+/t11-,13-,
    14-,15-,16-,17+/m0/s1;
    WVXLBCZSXMEAME-XOAMCSGCSA-N    		 CC(CC(C(C)C1NC(CS1)C=C(C)C(=O)O)O)CC(C(C
    )(C)C)O; C[C@@H](C[C@@H]([C@H](C)[C@@H]1
    N[C@H](CS1)/C=C(\C)/C(=O)O)O)C[C@@H](C(C
    )(C)C)O; C[CH](C[CH](O)[CH](C)[CH]1N[CH]
    (CS1)C=C(C)C(O)=O)C[CH](O)C(C)(C)C; C[C@
    @H](C[C@H](O)[C@H](C)[C@@H]1N[C@H](CS1)/
    C=C(C)/C(O)=O)C[C@H](O)C(C)(C)C; C\C(=C/
    C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O
    )O    		 (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
    37740 T6A
    ZINC000031516909    		 0 C15 H21 N6 O11 P InChI=1S/C15H21N6O11P/c1-
    5(22)7(14(25)26)19-15(27)
    20-11-8-12(17-3-16-11)21(
    4-18-8)13-10(24)9(23)6(32
    -13)2-31-33(28,29)30/h3-7
    ,9-10,13,22-24H,2H2,1H3,(
    H,25,26)(H2,28,29,30)(H2,
    16,17,19,20,27)/t5-,6-,7+
    ,9-,10-,13-/m1/s1;
    BHFCEFYJTLMMEQ-DWVDDHQFSA-N    		 CC(C(C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)O)O)O)O; C[CH](O)[CH](N
    C(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]3O)C(O)=O; C[C@@H](O)[C
    @H](NC(=O)Nc1ncnc2n(cnc12)[C@@H]3O[C@H](
    CO[P](O)(O)=O)[C@@H](O)[C@H]3O)C(O)=O; O
    =C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)
    COP(=O)(O)O)C(O)C; C[C@H]([C@@H](C(=O)O)
    NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)COP(=O)(O)O)O)O)O    		 N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE;
    N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE
    37741 T6B
    CHEMBL4932930
    ZINC000072424172    		 1 C17 H17 N3 O3 InChI=1S/C17H17N3O3/c1-19
    -7-5-13-12(4-6-18-16(13)1
    9)14-2-3-15(23-14)17(21)2
    0-8-10-22-11-9-20/h2-7H,8
    -11H2,1H3;
    GADYVYMUQFVEQZ-UHFFFAOYSA-N    		 Cn1ccc2c1nccc2c3ccc(o3)C(=O)N4CCOCC4; Cn
    1ccc2c(ccnc12)c3oc(cc3)C(=O)N4CCOCC4    		 [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone;
    1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine
    37742 T6C
    CHEMBL309917
    ZINC000000391974    		 21 C6 H3 Cl3 O InChI=1S/C6H3Cl3O/c7-3-1-
    4(8)6(10)5(9)2-3/h1-2,10H;
    LINPIYWFGCPVIE-UHFFFAOYSA-N    		 c1c(cc(c(c1Cl)O)Cl)Cl; Oc1c(Cl)cc(Cl)cc1
    Cl; Clc1cc(Cl)cc(Cl)c1O    		 2,4,6-trichlorophenol
    37743 T6D 0 C22 H40 O12 InChI=1S/C22H40O12/c1-2-3
    -4-5-6-7-8-9-14(24)31-11-
    13-16(26)18(28)20(30)22(3
    3-13)34-21-19(29)17(27)15
    (25)12(10-23)32-21/h12-13
    ,15-23,25-30H,2-11H2,1H3/
    t12-,13-,15-,16-,17+,18+,
    19-,20-,21-,22-/m1/s1;
    NWUMPUQFMKERLR-KWOKUELKSA-N    		 CCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2O[CH](C
    O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH
    ]1O; C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)
    O)OC2C(C(C(C(CO)O2)O)O)O; CCCCCCCCCC(=O)
    OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)
    O)O; CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]
    ([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@
    @H]([C@H](O2)CO)O)O)O)O)O)O; CCCCCCCCCC(
    =O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H
    ](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@
    @H]1O    		 alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside;
    trehalose 6-decanoate
    37744 T6E
    CHEMBL1998585
    ZINC000003988861    		 1 C20 H13 F4 N5 O S InChI=1S/C20H13F4N5OS/c21
    -14-6-3-11(20(22,23)24)7-
    15(14)29-19(30)28-12-4-1-
    10(2-5-12)13-8-31-18-16(1
    3)17(25)26-9-27-18/h1-9H,
    (H2,25,26,27)(H2,28,29,30
    );
    PTVPBWWDGZSEAF-UHFFFAOYSA-N    		 c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(cc
    c4F)C(F)(F)F; Nc1ncnc2scc(c3ccc(NC(=O)Nc
    4cc(ccc4F)C(F)(F)F)cc3)c12; FC(F)(F)c1cc
    (c(F)cc1)NC(=O)Nc4ccc(c2c3c(ncnc3sc2)N)c
    c4    		 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
    37745 T6F
    ZINC000058632330    		 7 C18 H32 N4 O16 P3 S InChI=1S/C18H31N4O16P3S/c
    1-9-13(3-4-36-41(34,35)38
    -40(31,32)33)42-17(22(9)6
    -11-5-20-10(2)21-16(11)19
    )18(27,8-23)15(26)14(25)1
    2(24)7-37-39(28,29)30/h5,
    12,14-15,23-27H,3-4,6-8H2
    ,1-2H3,(H6-,19,20,21,28,2
    9,30,31,32,33,34,35)/p+1/
    t12-,14-,15+,18+/m1/s1;
    AJFWOWNNZFXSES-TXPWEPMLSA-O    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CO)(C(C(C(C
    OP(=O)(O)O)O)O)O)O)CCOP(=O)(O)OP(=O)(O)O
    ; O=P(O)(O)OCC(O)C(O)C(O)C(O)(c1sc(c([n+
    ]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)
    CO; Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)(
    [C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)
    CCO[P@@](=O)(O)OP(=O)(O)O; Cc1ncc(C[n+]2
    c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O
    )(CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)
    c(N)n1; Cc1ncc(C[n+]2c(C)c(CCO[P@](O)(=O
    )O[P](O)(O)=O)sc2[C@](O)(CO)[C@@H](O)[C@
    H](O)[C@H](O)CO[P](O)(O)=O)c(N)n1    		 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol;
    D-FRUCTOSE-6-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT
    37746 T6H 1 C12 H17 N O2 S InChI=1S/C12H17NO2S/c1-12
    (2,11(14)13-8-9-16)15-10-
    6-4-3-5-7-10/h3-7,16H,8-9
    H2,1-2H3,(H,13,14);
    BKIILAFCTOGNPQ-UHFFFAOYSA-N    		 CC(C)(Oc1ccccc1)C(=O)NCCS; CC(C)(C(=O)NC
    CS)Oc1ccccc1    		 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
    37747 T6I
    CHEMBL5284493    		 1 C23 H26 F N O3 InChI=1S/C23H26FNO3/c1-14
    -7-9-17(10-8-14)21(15(2)2
    3(27)28)25-22(26)20(24)19
    -12-11-16-5-3-4-6-18(16)1
    3-19/h7-13,15,20-21H,3-6H
    2,1-2H3,(H,25,26)(H,27,28
    )/t15-,20+,21+/m1/s1;
    MQNFGUOKPYSZBX-NQERJWCQSA-N    		 C[C@H]([C@H](NC(=O)[C@@H](F)c1ccc2CCCCc2
    c1)c3ccc(C)cc3)C(O)=O; C[CH]([CH](NC(=O)
    [CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
    ; Cc1ccc(cc1)C(C(C)C(=O)O)NC(=O)C(c2ccc3
    c(c2)CCCC3)F; Cc1ccc(cc1)[C@H]([C@@H](C)
    C(=O)O)NC(=O)[C@H](c2ccc3c(c2)CCCC3)F    		 (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
    37748 T6J
    ZINC000003888556    		 16 C9 H10 N2 O2 S InChI=1S/C9H10N2O2S/c1-14
    (12,13)6-9-10-7-4-2-3-5-8
    (7)11-9/h2-5H,6H2,1H3,(H,
    10,11);
    WCWTYTQSZZWNEW-UHFFFAOYSA-N    		 CS(=O)(=O)Cc1[nH]c2ccccc2n1; C[S](=O)(=O
    )Cc1[nH]c2ccccc2n1; n1c(nc2ccccc12)CS(C)
    (=O)=O    		 2-[(methylsulfonyl)methyl]-1H-benzimidazole
    37749 T6K
    ZINC000230571026    		 0 C16 H26 N2 O15 P2 InChI=1S/C16H26N2O15P2/c1
    -6-4-18(16(24)17-14(6)23)
    10-3-8(19)9(31-10)5-29-34
    (25,26)33-35(27,28)32-15-
    13(22)12(21)11(20)7(2)30-
    15/h6-10,12-13,15,19,21-2
    2H,3-5H2,1-2H3,(H,25,26)(
    H,27,28)(H,17,23,24)/t6-,
    7-,8+,9-,10-,12+,13-,15-/
    m1/s1;
    GOBYTWJNFOHSGZ-JXBWMLSMSA-N    		 C[C@@H]1CN([C@H]2C[C@H](O)[C@@H](CO[P](O
    )(=O)O[P](O)(=O)O[C@H]3O[C@H](C)C(=O)[C@
    H](O)[C@H]3O)O2)C(=O)NC1=O; C[CH]1CN([CH
    ]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[
    CH]3O[CH](C)C(=O)[CH](O)[CH]3O)O2)C(=O)N
    C1=O; C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H
    ]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C
    @@H]([C@H](C(=O)[C@H](O3)C)O)O)O; C3(C(O
    C(OP(O)(OP(OCC1OC(CC1O)N2C(NC(C(C2)C)=O)
    =O)(=O)O)=O)C(O)C3O)C)=O; CC1CN(C(=O)NC1
    =O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C
    (=O)C(O3)C)O)O)O    		 (2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl {(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate
    37750 T6L
    CHEMBL5180161    		 1 C20 H17 Cl F5 N5 O4 InChI=1S/C20H17ClF5N5O4/c
    1-3-30-14(8-32)29-31(19(3
    0)34)16-13(23)7-10(18(28-
    16)35-9(2)20(24,25)26)17(
    33)27-15-11(21)5-4-6-12(1
    5)22/h4-7,9,32H,3,8H2,1-2
    H3,(H,27,33)/t9-/m0/s1;
    OTVJNMGRFHZVRL-VIFPVBQESA-N    		 CCN1C(=NN(C1=O)c2nc(O[C@@H](C)C(F)(F)F)c
    (cc2F)C(=O)Nc3c(F)cccc3Cl)CO; CCN1C(=NN(
    C1=O)c2c(cc(c(n2)OC(C)C(F)(F)F)C(=O)Nc3c
    (cccc3Cl)F)F)CO; Fc1cccc(Cl)c1NC(=O)c1cc
    (F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O
    ; CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C
    (F)(F)F)C(=O)Nc3c(cccc3Cl)F)F)CO; CCN1C(
    =NN(C1=O)c2nc(O[CH](C)C(F)(F)F)c(cc2F)C(
    =O)Nc3c(F)cccc3Cl)CO    		 (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide
    37751 T6M
    ZINC000007308566    		 1 C12 H15 Cl N2 O3 S InChI=1S/C12H15ClN2O3S/c1
    -10(16)14-6-8-15(9-7-14)1
    9(17,18)12-4-2-11(13)3-5-
    12/h2-5H,6-9H2,1H3;
    VTRBWFKJTCGLDP-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2;
    N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O
    ; CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl    		 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
    37752 T6N 1 C13 H19 N O2 S InChI=1S/C13H19NO2S/c1-10
    -4-6-11(7-5-10)16-13(2,3)
    12(15)14-8-9-17/h4-7,17H,
    8-9H2,1-3H3,(H,14,15);
    QMHUJMFZVOXMEY-UHFFFAOYSA-N    		 Cc1ccc(OC(C)(C)C(=O)NCCS)cc1; Cc1ccc(cc1
    )OC(C)(C)C(=O)NCCS    		 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide
    37753 T6O 1 C13 H17 N5 O8 S2 InChI=1S/C13H17N5O8S2/c1-
    5-7(10(20)18(5)28(23,24)2
    5)16-9(19)8(6-4-27-12(14)
    15-6)17-26-13(2,3)11(21)2
    2/h4-5,7H,1-3H3,(H2,14,15
    )(H,16,19)(H,21,22)(H,23,
    24,25)/t5-,7-/m1/s1;
    WZPBZJONDBGPKJ-IYSWYEEDSA-N    		 C[CH]1[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c2cs
    c(N)n2)C(=O)N1[S](O)(=O)=O; C[C@@H]1[C@@
    H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2
    )C(=O)N1[S](O)(=O)=O; CC1C(C(=O)N1S(=O)(
    =O)O)NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(n2)N    		 aztreonam;
    2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid
    37754 T6P 0 C12 H23 O14 P InChI=1S/C12H23O14P/c13-1
    -3-5(14)7(16)9(18)11(24-3
    )26-12-10(19)8(17)6(15)4(
    25-12)2-23-27(20,21)22/h3
    -19H,1-2H2,(H2,20,21,22)/
    t3-,4-,5-,6-,7+,8+,9-,10-
    ,11-,12-/m1/s1;
    LABSPYBHMPDTEL-LIZSDCNHSA-N    		 OC[CH]1O[CH](O[CH]2O[CH](CO[P](O)(O)=O)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
    ; O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C
    (O)C(O)C2O; C(C1C(C(C(C(O1)OC2C(C(C(C(O2
    )COP(=O)(O)O)O)O)O)O)O)O)O; C([C@@H]1[C@
    H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](
    [C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)
    O)O)O)O; OC[C@H]1O[C@H](O[C@H]2O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@
    H](O)[C@@H](O)[C@@H]1O    		 Trehalose-6-phosphate;
    6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
    37755 T6Q
    CHEMBL2348651
    ZINC000095603671    		 3 C23 H26 N8 O S InChI=1S/C23H26N8OS/c1-15
    -21(33-23(25-3)27-15)20-1
    7(13-24)14-26-22(29-20)28
    -18-6-4-7-19(12-18)31-9-5
    -8-30(10-11-31)16(2)32/h4
    ,6-7,12,14H,5,8-11H2,1-3H
    3,(H,25,27)(H,26,28,29);
    DZHBFQMOLIUZMP-UHFFFAOYSA-N    		 CNc1sc(c(C)n1)c2nc(Nc3cccc(c3)N4CCCN(CC4
    )C(C)=O)ncc2C#N; Cc1c(sc(n1)NC)c2c(cnc(n
    2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N; O=C(
    N4CCCN(c1cccc(c1)Nc2ncc(C#N)c(n2)c3sc(nc
    3C)NC)CC4)C    		 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
    37756 T6R
    ZINC000001473033    		 3 C9 H10 N2 InChI=1S/C9H10N2/c1-2-11-
    7-10-8-5-3-4-6-9(8)11/h3-
    7H,2H2,1H3;
    WVNMLOGVAVGQIT-UHFFFAOYSA-N    		 CCn1cnc2c1cccc2; CCn1cnc2ccccc21; CCn1cn
    c2ccccc12    		 1-ethyl-1H-benzimidazole
    37757 T6S
    CHEMBL4067008    		 2 C12 H22 O14 S InChI=1S/C12H22O14S/c13-1
    -3-5(14)7(16)9(18)11(24-3
    )26-12-10(19)8(17)6(15)4(
    25-12)2-23-27(20,21)22/h3
    -19H,1-2H2,(H,20,21,22)/t
    3-,4-,5-,6-,7+,8+,9-,10-,
    11-,12-/m1/s1;
    AJWOGPXMZBTABG-LIZSDCNHSA-N    		 OC[CH]1O[CH](O[CH]2O[CH](CO[S](O)(=O)=O)
    [CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1
    O; C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COS(=O)(
    =O)O)O)O)O)O)O)O)O; OC[C@H]1O[C@H](O[C@H
    ]2O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O
    )[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O; C([C
    @@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]
    2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O
    )O)O)O)O)O)O)O)O; C1(C(O)C(O)C(C(O1)OC2C
    (O)C(O)C(C(O2)CO)O)O)COS(O)(=O)=O    		 alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside
    37758 T6T
    CHEMBL3183898
    ZINC000003830878    		 6 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
    +/m1/s1;
    LKDRXBCSQODPBY-VANKVMQKSA-N    		 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O; OC1C(OC
    C(C1O)O)(CO)O; OC[C@]1(O)OC[C@@H](O)[C@H
    ](O)[C@@H]1O; C1[C@H]([C@@H]([C@@H]([C@@
    ](O1)(CO)O)O)O)O; C1C(C(C(C(O1)(CO)O)O)O
    )O    		 alpha-D-tagatopyranose;
    alpha-D-tagatose;
    D-tagatose;
    tagatose
    37759 T6U
    CHEMBL5289714    		 1 C8 H6 Br N3 O3 InChI=1S/C8H6BrN3O3/c1-3-
    10-8(12-15-3)6-7(14)4(13)
    2-5(9)11-6/h2,14H,1H3,(H,
    11,13);
    VCOZTCCRJIGBLQ-UHFFFAOYSA-N    		 Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O; Cc1onc(
    n1)C2=C(O)C(=O)C=C(Br)N2; OC1=C(NC(Br)=C
    C1=O)c1nc(C)on1    		 (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
    37760 T6V
    ZINC000001193291    		 1 C12 H13 N O3 S InChI=1S/C12H13NO3S/c1-10
    (14)13(11-5-3-2-4-6-11)12
    -7-8-17(15,16)9-12/h2-8,1
    2H,9H2,1H3/t12-/m0/s1;
    KBIYZUQDVPCCPL-LBPRGKRZSA-N    		 CC(=O)N(c1ccccc1)C2CS(=O)(=O)C=C2; CC(=O
    )N([CH]1C[S](=O)(=O)C=C1)c2ccccc2; CC(=O
    )N([C@@H]1C[S](=O)(=O)C=C1)c2ccccc2; CC(
    =O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2; c1c
    c(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O    		 N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
    37761 T6W 1 C12 H16 Cl N2 O4 S InChI=1S/C12H15ClN2O4S/c1
    -12(2,11(16)14-5-6-20)19-
    10-4-3-8(15(17)18)7-9(10)
    13/h3-4,7H,5-6H2,1-2H3,(H
    2-,14,16,17,18,20)/p+1;
    PHBDFVDEJDSKGW-UHFFFAOYSA-O    		 CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O;
    CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS    		 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    37762 T6X 6 C27 H36 N6 O InChI=1S/C27H36N6O/c1-4-2
    2(17-34)30-27-31-25(24-26
    (32-27)33(18-29-24)19(2)3
    )28-16-9-5-6-11-20-13-10-
    14-21-12-7-8-15-23(20)21/
    h7-8,10,12-15,18-19,22,34
    H,4-6,9,11,16-17H2,1-3H3,
    (H2,28,30,31,32)/t22-/m1/
    s1;
    VMZLWLKLMRYJFQ-JOCHJYFZSA-N    		 CC[C@H](CO)Nc1nc(NCCCCCc2cccc3ccccc23)c4
    ncn(C(C)C)c4n1; CC[C@H](CO)Nc1nc(c2c(n1)
    n(cn2)C(C)C)NCCCCCc3cccc4c3cccc4; CCC(CO
    )Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCCCc3cccc4c
    3cccc4; CC[CH](CO)Nc1nc(NCCCCCc2cccc3ccc
    cc23)c4ncn(C(C)C)c4n1    		 (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    37763 T6Y
    ZINC000045291477    		 1 C11 H15 Cl N2 O S InChI=1S/C11H15ClN2OS/c1-
    9(15)14-6-4-13(5-7-14)8-1
    0-2-3-11(12)16-10/h2-3H,4
    -8H2,1H3;
    KIKCPJKIAGFHCO-UHFFFAOYSA-N    		 N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl; CC(=O)N1
    CCN(CC1)Cc2sc(Cl)cc2; CC(=O)N1CCN(CC1)Cc
    2ccc(s2)Cl    		 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
    37764 T6Z
    CHEMBL4446363
    ZINC000621478275    		 1 C11 H12 N O4 P InChI=1S/C11H12NO4P/c1-12
    -10-5-3-2-4-9(10)8(6-11(1
    2)13)7-17(14,15)16/h2-6H,
    7H2,1H3,(H2,14,15,16);
    LOQZOOPJJBKDAA-UHFFFAOYSA-N    		 CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12; CN2C
    (C=C(CP(O)(=O)O)c1ccccc12)=O; CN1c2ccccc
    2C(=CC1=O)CP(=O)(O)O    		 [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
    37765 T70
    CHEMBL2325014
    DB14856
    ZINC000095582552    		 1 C18 H12 Cl2 F N5 O3 S2 InChI=1S/C18H12Cl2FN5O3S2
    /c19-9-1-2-14(10(3-9)11-6
    -24-25-18(11)22)29-15-5-1
    3(21)16(4-12(15)20)31(27,
    28)26-17-7-30-8-23-17/h1-
    8,26H,(H3,22,24,25);
    ZYSCOUXLBXGGIM-UHFFFAOYSA-N    		 Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[
    S](=O)(=O)Nc4cscn4; c1cc(c(cc1Cl)c2cn[nH
    ]c2N)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4cscn4)F    		 PF-05089771;
    4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
    37766 T71
    ZINC000005120545    		 1 C14 H20 N2 O3 S InChI=1S/C14H20N2O3S/c1-1
    1-4-5-12(2)14(10-11)20(18
    ,19)16-8-6-15(7-9-16)13(3
    )17/h4-5,10H,6-9H2,1-3H3;
    ISTPGRLEOGSGGV-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc(C)ccc2C;
    Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C
    ; N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C
    )=O    		 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
    37767 T72
    CHEMBL4855847    		 1 C20 H13 F6 N O3 InChI=1S/C20H13F6NO3/c21-
    19(22,23)13-8-12(9-14(10-
    13)20(24,25)26)18-17(11-4
    -2-1-3-5-11)27-15(30-18)6
    -7-16(28)29/h1-5,8-10H,6-
    7H2,(H,28,29);
    KMMWBOHSOIDNLP-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)
    C(F)(F)F)C(F)(F)F; OC(=O)CCc1oc(c2cc(cc(
    c2)C(F)(F)F)C(F)(F)F)c(n1)c3ccccc3    		 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid;
    3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
    37768 T73
    ZINC000002146360    		 3 C17 H22 O3 InChI=1S/C17H22O3/c1-16(2
    )12-8-9-17(16,3)14(10-12)
    20-15(19)11-4-6-13(18)7-5
    -11/h4-7,12,14,18H,8-10H2
    ,1-3H3/t12-,14+,17+/m0/s1;
    WZBMPPVYPMMRNT-DXCKQFNASA-N    		 C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc
    (cc3)O; CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)
    OC(=O)c3ccc(O)cc3; O=C(OC1C2(C(C(C1)CC2)
    (C)C)C)c3ccc(cc3)O; CC1(C)[CH]2CC[C]1(C)
    [CH](C2)OC(=O)c3ccc(O)cc3; CC1(C2CCC1(C(
    C2)OC(=O)c3ccc(cc3)O)C)C    		 (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate
    37769 T74
    CHEMBL472392
    ZINC000053281978    		 2 C29 H38 N8 O InChI=1S/C29H38N8O/c1-20-
    7-6-8-21(2)25(20)33-26-24
    -19-31-28(34-27(24)37(35-
    26)16-13-29(3,4)38-5)32-2
    2-9-11-23(12-10-22)36-17-
    14-30-15-18-36/h6-12,19,3
    0H,13-18H2,1-5H3,(H,33,35
    )(H,31,32,34);
    RDCUCMDUDZPOOV-UHFFFAOYSA-N    		 O(C)C(C)(C)CCn5nc(Nc1c(cccc1C)C)c2c5nc(n
    c2)Nc3ccc(cc3)N4CCNCC4; COC(C)(C)CCn1nc(
    Nc2c(C)cccc2C)c3cnc(Nc4ccc(cc4)N5CCNCC5)
    nc13; Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(
    C)OC)Nc4ccc(cc4)N5CCNCC5)C    		 N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
    37770 T75
    CHEMBL363648
    DB16108
    ZINC000006717791    		 2 C24 H21 N3 O S InChI=1S/C24H21N3OS/c1-3-
    21-27-22(18-11-7-8-16(2)1
    4-18)23(29-21)19-12-13-25
    -20(15-19)26-24(28)17-9-5
    -4-6-10-17/h4-15H,3H2,1-2
    H3,(H,25,26,28);
    HEKAIDKUDLCBRU-UHFFFAOYSA-N    		 O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C
    )CC)c4; CCc1sc(c2ccnc(NC(=O)c3ccccc3)c2)
    c(n1)c4cccc(C)c4; CCc1nc(c(s1)c2ccnc(c2)
    NC(=O)c3ccccc3)c4cccc(c4)C    		 TAK-715;
    N-{4-[2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL-5-YL]PYRIDIN-2-YL}BENZAMIDE
    37771 T76
    CHEMBL1236167
    ZINC000013537324    		 1 C25 H33 Cl N4 O5 InChI=1S/C25H33ClN4O5/c26
    -18-8-9-20-17(13-18)14-28
    -24(33)19-7-4-12-30(19)25
    (34)23(16-5-2-1-3-6-16)29
    -21(31)10-11-27-22(32)15-
    35-20/h8-9,13,16,19,23H,1
    -7,10-12,14-15H2,(H,27,32
    )(H,28,33)(H,29,31)/t19-,
    23+/m0/s1;
    CNGULIMOMYJRBP-WMZHIEFXSA-N    		 c1cc2c(cc1Cl)CNC(=O)C3CCCN3C(=O)C(NC(=O)
    CCNC(=O)CO2)C4CCCCC4; Clc1ccc2OCC(=O)NCC
    C(=O)N[CH](C3CCCCC3)C(=O)N4CCC[CH]4C(=O)
    NCc2c1; Clc1ccc2OCC(=O)NCCC(=O)N[C@H](C3
    CCCCC3)C(=O)N4CCC[C@H]4C(=O)NCc2c1; c1cc
    2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](N
    C(=O)CCNC(=O)CO2)C4CCCCC4; Clc4cc1c(OCC(
    =O)NCCC(=O)NC(C(=O)N2C(C(=O)NC1)CCC2)C3C
    CCCC3)cc4    		 (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE
    37772 T77
    CHEMBL2087873
    ZINC000035850835    		 2 C26 H29 N5 O S2 InChI=1S/C26H29N5OS2/c1-3
    1(2)12-13-32-20-10-8-19(9
    -11-20)24-22(18-6-4-3-5-7
    -18)23-25(28-17-29-26(23)
    30-24)27-16-21-33-14-15-3
    4-21/h3-11,17,21H,12-16H2
    ,1-2H3,(H2,27,28,29,30);
    RHDMCDPPAAUUMD-UHFFFAOYSA-N    		 CN(C)CCOc1ccc(cc1)c2[nH]c3ncnc(NCC4SCCS4
    )c3c2c5ccccc5; CN(C)CCOc1ccc(cc1)c2c(c3c
    ([nH]2)ncnc3NCC4SCCS4)c5ccccc5; n4c(NCC1
    SCCS1)c5c(c2ccccc2)c(c3ccc(OCCN(C)C)cc3)
    nc5nc4    		 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    37773 T78
    CHEMBL5193591    		 1 C20 H19 Cl F4 N6 O4 InChI=1S/C20H19ClF4N6O4/c
    1-4-30-13(8-32)29-31(19(3
    0)34)16-12(22)7-11(18(28-
    16)35-10(3)20(23,24)25)17
    (33)27-14-9(2)5-6-26-15(1
    4)21/h5-7,10,32H,4,8H2,1-
    3H3,(H,27,33)/t10-/m0/s1;
    XEDJGCIOZDHXOR-JTQLQIEISA-N    		 CCN1C(=NN(C1=O)c2c(cc(c(n2)OC(C)C(F)(F)F
    )C(=O)Nc3c(ccnc3Cl)C)F)CO; CCN1C(=NN(C1=
    O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc
    3c(ccnc3Cl)C)F)CO; CCN1C(=NN(C1=O)c2nc(O
    [C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(C)ccn
    c3Cl)CO; CCN1C(=NN(C1=O)c2nc(O[CH](C)C(F
    )(F)F)c(cc2F)C(=O)Nc3c(C)ccnc3Cl)CO; Cc1
    ccnc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)
    F)N1N=C(CO)N(CC)C1=O    		 (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide
    37774 T79
    ZINC000001721174    		 0 C6 H9 N O2 InChI=1S/C6H9NO2/c1-2-3-4
    -5(7)6(8)9/h5H,4,7H2,1H3,
    (H,8,9)/t5-/m0/s1;
    VDWGCMRALYSYJV-YFKPBYRVSA-N    		 CC#CC[C@@H](C(=O)O)N; CC#CC[CH](N)C(O)=O
    ; CC#CC[C@H](N)C(O)=O; CC#CCC(C(=O)O)N    		 (2S)-2-azanylhex-4-ynoic acid;
    (S)-2-Aminohex-4-ynoic acid;
    peptide staple
    37775 T7A
    CHEMBL4759082
    ZINC000000181061    		 1 C10 H10 N2 O2 S InChI=1S/C10H10N2O2S/c1-6
    (13)11-10-12-9-7(14-2)4-3
    -5-8(9)15-10/h3-5H,1-2H3,
    (H,11,12,13);
    AQDZPXNDPBKKSZ-UHFFFAOYSA-N    		 CC(=O)Nc1nc2c(cccc2s1)OC; COc1cccc2sc(NC
    (C)=O)nc12; n2c1c(cccc1OC)sc2NC(C)=O    		 N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
    37776 T7B
    ZINC000003258337    		 2 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c14-9
    -11(13-10(15)12-9)6-5-7-3
    -1-2-4-8(7)11/h1-4H,5-6H2
    ,(H2,12,13,14,15)/t11-/m0
    /s1;
    CDALGRHRPPTQPM-NSHDSACASA-N    		 O=C1NC(=O)[C]2(CCc3ccccc23)N1; O=C1NC(=O
    )NC21CCc1ccccc12; c1ccc2c(c1)CCC23C(=O)N
    C(=O)N3; c1ccc2c(c1)CC[C@@]23C(=O)NC(=O)
    N3; O=C1NC(=O)[C@@]2(CCc3ccccc23)N1    		 (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione
    37777 T7C 0 C7 H14 N2 O3 S InChI=1S/C7H14N2O3S/c8-6(
    10)5-9-2-4-13-3-1-7(11)12
    /h9H,1-5H2,(H2,8,10)(H,11
    ,12);
    MUBXWBWLTBTNGS-UHFFFAOYSA-N    		 NC(=O)CNCCSCCC(O)=O; C(CSCCNCC(=O)N)C(=O
    )O; O=C(N)CNCCSCCC(=O)O    		 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
    37778 T7D
    CHEMBL433117
    ZINC000026388353    		 1 C14 H18 N2 O2 InChI=1S/C14H18N2O2/c1-11
    (17)16-9-7-13(8-10-16)15-
    14(18)12-5-3-2-4-6-12/h2-
    6,13H,7-10H2,1H3,(H,15,18
    );
    KFVWQRVNMHXHKB-UHFFFAOYSA-N    		 N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O; CC(=O)
    N1CCC(CC1)NC(=O)c2ccccc2    		 N-(1-acetylpiperidin-4-yl)benzamide
    37779 T7F
    CHEMBL71752
    DB12131
    ZINC000019796031    		 1 C22 H26 N2 O2 InChI=1S/C22H26N2O2/c1-3-
    22-11-7-12-23-13-10-16-15
    -8-5-6-9-17(15)24(19(16)2
    0(22)23)18(14-22)21(25)26
    -4-2/h5-6,8-9,14,20H,3-4,
    7,10-13H2,1-2H3/t20-,22+/
    m1/s1;
    DDNCQMVWWZOMLN-IRLDBZIGSA-N    		 CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2
    )C(=O)OCC)CC3; CCOC(=O)C1=C[C]2(CC)CCCN3
    CCc4c5ccccc5n1c4[CH]23; CCC12CCCN3C1c4c(
    c5ccccc5n4C(=C2)C(=O)OCC)CC3; CCOC(=O)C1
    =C[C@]2(CC)CCCN3CCc4c5ccccc5n1c4[C@H]23    		 Vinpocetine;
    Ethyl apovincaminate
    37780 T7G 1 C14 H18 N2 O3 InChI=1S/C14H18N2O3/c1-10
    (17)16-8-6-11(7-9-16)14(1
    9)15-12-4-2-3-5-13(12)18/
    h2-5,11,18H,6-9H2,1H3,(H,
    15,19);
    YKBMCZDLJSTFOC-UHFFFAOYSA-N    		 CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O; N2(CCC(
    C(Nc1ccccc1O)=O)CC2)C(C)=O    		 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
    37781 T7H 0 C7 H13 N O4 S InChI=1S/C7H13NO4S/c9-6(1
    0)1-3-13-4-2-8-5-7(11)12/
    h8H,1-5H2,(H,9,10)(H,11,1
    2);
    CKNRVCNEJKWKTH-UHFFFAOYSA-N    		 OC(=O)CCSCCNCC(O)=O; C(CSCCNCC(=O)O)C(=O
    )O; OC(=O)CNCCSCCC(=O)O    		 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid
    37782 T7I 4 C19 H12 F3 N3 O InChI=1S/C19H12F3N3O/c20-
    19(21,22)17-16(13-9-5-2-6
    -10-13)18-23-14(11-15(26)
    25(18)24-17)12-7-3-1-4-8-
    12/h1-11,24H;
    OOAHQJLYDSAULT-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)N3C(=N2)C(=C(N3)C(F)(
    F)F)c4ccccc4; FC(F)(F)C1=C(c2ccccc2)C3=N
    C(=CC(=O)N3N1)c4ccccc4    		 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one
    37783 T7J
    ZINC000002697128    		 1 C13 H15 N O3 S InChI=1S/C13H15NO3S/c1-10
    -3-5-12(6-4-10)14(11(2)15
    )13-7-8-18(16,17)9-13/h3-
    8,13H,9H2,1-2H3/t13-/m1/s
    1;
    PPKLPLWDJXRWSL-CYBMUJFWSA-N    		 Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C
    ; C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=
    O; CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(
    C)cc2; Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=
    O)C; CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc
    (C)cc2    		 N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
    37784 T7K 1 C21 H29 N4 O7 Yb InChI=1S/C21H32N4O7.Yb/c2
    6-18-3-1-17(2-4-18)13-22-
    5-7-23(14-19(27)28)9-11-2
    5(16-21(31)32)12-10-24(8-
    6-22)15-20(29)30;/h1-4,26
    H,5-16H2,(H,27,28)(H,29,3
    0)(H,31,32);/q;+7/p-3;
    CKUMJXQWUQKKED-UHFFFAOYSA-K    		 c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC
    4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C
    5)O; Oc1ccc(CN2CCN3CCN4CCN(CC2)CC(=O)O[Y
    b](OC(=O)C4)OC(=O)C3)cc1    		 neutral Yb(III)-caged complex;
    8-[(4-hydroxyphenyl)methyl]-2,17,18-trioxa-5,8,11,14-tetraza-1(gamma)-ytterbatricyclo[9.6.3.25,14]docosane-3,16,19-trione;
    Yb(III) clathrochelate
    37785 T7L
    CHEMBL4572726
    ZINC000006116819    		 3 C10 H7 N O2 S InChI=1S/C10H7NO2S/c12-10
    (13)8-6-11-9(14-8)7-4-2-1
    -3-5-7/h1-6H,(H,12,13);
    LCALUFNLWHYTKX-UHFFFAOYSA-N    		 O=C(O)c1cnc(s1)c1ccccc1; OC(=O)c1sc(nc1)
    c2ccccc2; c1ccc(cc1)c2ncc(s2)C(=O)O    		 2-phenyl-1,3-thiazole-5-carboxylic acid
    37786 T7M
    ZINC000263621189    		 5 C46 H82 O16 P2 InChI=1S/C46H82O16P2/c1-3
    -5-7-9-11-13-15-17-19-20-
    21-23-25-27-29-31-33-35-4
    0(48)60-38(36-58-39(47)34
    -32-30-28-26-24-22-18-16-
    14-12-10-8-6-4-2)37-59-64
    (56,57)62-46-43(51)41(49)
    45(42(50)44(46)52)61-63(5
    3,54)55/h11,13,17,19,21,2
    3,27,29,38,41-46,49-52H,3
    -10,12,14-16,18,20,22,24-
    26,28,30-37H2,1-2H3,(H,56
    ,57)(H2,53,54,55)/b13-11-
    ,19-17-,23-21-,29-27-/t38
    -,41-,42+,43-,44-,45+,46+
    /m1/s1;
    WSLBJQQQZZTFBA-NPJVAJNNSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O
    )O[C@H]1[C@H](O)[C@@H](O)[C@H](O[P](O)(O
    )=O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C
    \C\C=C/C/C=C\CCCCC; CCCCCCCCCCCCCCCCC(=O
    )OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O
    )O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC; O=
    C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CC
    CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(
    O)C1O)CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    C(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@
    H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=
    O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC; CCCCC
    CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]
    1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)
    [CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC    		 (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;
    Phosphatidylinositol-4-phosphate
    37787 T7O
    CHEMBL4166143    		 4 C16 H14 O4 InChI=1S/C16H14O4/c1-11(1
    7)20-10-12-4-2-5-13(8-12)
    14-6-3-7-15(9-14)16(18)19
    /h2-9H,10H2,1H3,(H,18,19);
    BHNLEDGKZQUQLL-UHFFFAOYSA-N    		 CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O; CC(=
    O)OCc1cccc(c1)c2cccc(c2)C(O)=O    		 3-[3-(acetyloxymethyl)phenyl]benzoic acid
    37788 T7P
    ZINC000005071275    		 1 C12 H12 F N O3 S InChI=1S/C12H12FNO3S/c1-9
    (15)14(11-4-2-10(13)3-5-1
    1)12-6-7-18(16,17)8-12/h2
    -7,12H,8H2,1H3/t12-/m1/s1;
    ZNQRDHIQBZKZBG-GFCCVEGCSA-N    		 CC(=O)N(c1ccc(cc1)F)C2CS(=O)(=O)C=C2; CC
    (=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2;
    CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(F)c
    c2; C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)c
    c2; CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(
    F)cc2    		 N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
    37789 T7Q 4 C16 H15 N2 O3 InChI=1S/C16H14N2O3/c17-1
    2(16(20)21)8-9-5-6-14-11(
    7-9)15(19)10-3-1-2-4-13(1
    0)18-14/h1-7,12H,8,17H2,(
    H,18,19)(H,20,21)/p+1/t12
    -/m0/s1;
    NPALYBYZIAGBTE-LBPRGKRZSA-O    		 [NH3+][CH](Cc1ccc2Nc3ccccc3C(=O)c2c1)C(O
    )=O; c1ccc2c(c1)C(=O)c3cc(ccc3N2)CC(C(=O
    )O)[NH3+]; [NH3+][C@@H](Cc1ccc2Nc3ccccc3
    C(=O)c2c1)C(O)=O; O=C(O)C([NH3+])Cc1cc2C
    (=O)c3ccccc3Nc2cc1; c1ccc2c(c1)C(=O)c3cc
    (ccc3N2)C[C@@H](C(=O)O)[NH3+]    		 (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid;
    acridone amino acid (RS1)
    37790 T7R 2 C20 H24 N10 O14 P2 S4 W InChI=1S/2C10H14N5O6PS2.2
    O.W/c2*11-10-14-7-4(8(16)
    15-10)12-3-6(24)5(23)2(21
    -9(3)13-7)1-20-22(17,18)1
    9;;;/h2*2-3,9,12,23-24H,1
    H2,(H2,17,18,19)(H4,11,13
    ,14,15,16);;;/q;;;;+4/p-4
    /t2*2-,3+,9-;;;/m11.../s1;
    KOSOUPJZBKQLDF-RRYOYCSRSA-J    		 NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O
    )=O)C4=C3S[W]5(=O)(=O)(S4)SC6=C(S5)[CH]7
    NC8=C(N[CH]7O[CH]6CO[P](O)(O)=O)N=C(N)NC
    8=O)C(=O)N1; C(C1C2=C(C3C(O1)NC4=C(N3)C(
    =O)NC(=N4)N)S[W]5(=O)(=O)(S2)SC6=C(S5)C7
    C(NC8=C(N7)C(=O)NC(=N8)N)OC6COP(=O)(O)O)
    OP(=O)(O)O; C([C@@H]1C2=C([C@H]3[C@@H](O
    1)NC4=C(N3)C(=O)NC(=N4)N)S[W]5(=O)(=O)(S
    2)SC6=C(S5)[C@H]7[C@H](NC8=C(N7)C(=O)NC(
    =N8)N)O[C@@H]6COP(=O)(O)O)OP(=O)(O)O; NC
    1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](CO[P](O)
    (O)=O)C4=C3S[W]5(=O)(=O)(S4)SC6=C(S5)[C@
    @H]7NC8=C(N[C@@H]7O[C@@H]6CO[P](O)(O)=O)
    N=C(N)NC8=O)C(=O)N1    		 tungsten cofactor;
    [(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-6-sulfanyl-3,4~{a},5,5~{a},8,9~{a}-hexahydropyrano[3,2-g]pteridin-7-yl]sulfanyl-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-7-sulfanyl-3,5,5~{a},6,7,8,9~{a},10-octahydropyrano[3,2-g]pteridin-6-yl]sulfanyl]-bis($l^{1}-oxidanyl)tungsten
    37791 T7S 1 C13 H22 N2 O2 InChI=1S/C13H22N2O2/c1-11
    (16)14-9-5-12(6-10-14)13(
    17)15-7-3-2-4-8-15/h12H,2
    -10H2,1H3;
    VFXWKIZCOQQJGS-UHFFFAOYSA-N    		 N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O; CC(=O)N
    1CCC(CC1)C(=O)N2CCCCC2    		 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
    37792 T7U
    ZINC000000340344    		 2 C10 H11 N O2 InChI=1S/C10H11NO2/c12-9-
    4-2-1-3-8(9)10(13)11-7-5-
    6-7/h1-4,7,12H,5-6H2,(H,1
    1,13);
    UWYBOEZQGCFECQ-UHFFFAOYSA-N    		 Oc1ccccc1C(=O)NC2CC2; c1ccc(c(c1)C(=O)NC
    2CC2)O; O=C(NC1CC1)c1ccccc1O    		 N-cyclopropyl-2-hydroxybenzamide
    37793 T7V 1 C10 H12 Cl N O InChI=1S/C10H12ClNO/c1-7(
    12-8(2)13)9-4-3-5-10(11)6
    -9/h3-7H,1-2H3,(H,12,13)/
    t7-/m0/s1;
    XDFGWKFEFHPPQO-ZETCQYMHSA-N    		 C[C@H](c1cccc(c1)Cl)NC(=O)C; c1cc(Cl)cc(
    C(C)NC(=O)C)c1; CC(c1cccc(c1)Cl)NC(=O)C;
    C[C@H](NC(C)=O)c1cccc(Cl)c1; C[CH](NC(C
    )=O)c1cccc(Cl)c1    		 N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
    37794 T7W 1 C20 H22 N6 O4 InChI=1S/C20H22N6O4/c1-20
    (2,9-17(28)29)8-16(27)26-
    10-14-13(22-11-23-14)7-15
    (26)19-24-18(25-30-19)12-
    3-5-21-6-4-12/h3-6,11,15H
    ,7-10H2,1-2H3,(H,22,23)(H
    ,28,29)/t15-/m1/s1;
    BOQIHBGLAJGBMU-OAHLLOKOSA-N    		 CC(C)(CC(=O)N1Cc2c([nH]cn2)CC1c3nc(no3)c
    4ccncc4)CC(=O)O; CC(C)(CC(O)=O)CC(=O)N1C
    c2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4; CC(C)
    (CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c
    4ccncc4)CC(=O)O; CC(C)(CC(O)=O)CC(=O)N1C
    c2nc[nH]c2C[C@@H]1c3onc(n3)c4ccncc4    		 (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid;
    3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
    37795 T7X
    ZINC000584905691    		 83 C47 H83 O13 P InChI=1S/C47H83O13P/c1-3-
    5-7-9-11-13-15-17-19-20-2
    2-24-26-28-30-32-34-36-41
    (49)59-39(38-58-61(55,56)
    60-47-45(53)43(51)42(50)4
    4(52)46(47)54)37-57-40(48
    )35-33-31-29-27-25-23-21-
    18-16-14-12-10-8-6-4-2/h1
    1,13,17,19,22,24,28,30,39
    ,42-47,50-54H,3-10,12,14-
    16,18,20-21,23,25-27,29,3
    1-38H2,1-2H3,(H,55,56)/b1
    3-11+,19-17+,24-22-,30-28
    -/t39-,42-,43-,44+,45-,46
    -,47-/m1/s1;
    KRTOMQDUKGRFDJ-TWUHCGEESA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=
    O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]
    (O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C/C=C/C/C
    =C/CCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP(
    =O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=
    CCC=CCC=CCC=CCCCCC; CCCCCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC
    =CCC=CCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[C@
    H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@
    H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C
    /C=C/CCCCC; C1(C(C(C(C(C1O)O)O)O)O)OP(OC
    C(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CC\C=C\CCC
    CC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O    		 Phosphatidylinositol
    37796 T7Y
    CHEMBL1565601
    ZINC000000290981    		 2 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-9(
    15)13-10-4-2-5-11(8-10)14
    -7-3-6-12(14)16/h2,4-5,8H
    ,3,6-7H2,1H3,(H,13,15);
    CNXMKORZVSCVGQ-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(c1)N2CCCC2=O; N2(c1cccc(c1
    )NC(C)=O)CCCC2=O    		 N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
    37797 T7Z
    CHEMBL2312189
    ZINC000043207877    		 3 C21 H23 N7 O3 S2 InChI=1S/C21H23N7O3S2/c1-
    13-4-5-16(10-17(13)33(29,
    30)28-6-8-31-9-7-28)26-20
    -24-12-15(11-22)18(27-20)
    19-14(2)25-21(23-3)32-19/
    h4-5,10,12H,6-9H2,1-3H3,(
    H,23,25)(H,24,26,27);
    SSEDQERECATUBR-UHFFFAOYSA-N    		 O=S(=O)(N1CCOCC1)c2c(ccc(c2)Nc3ncc(C#N)c
    (n3)C=4S/C(=N/C)NC=4C)C; CN=C1NC(=C(S1)c
    2nc(Nc3ccc(C)c(c3)[S](=O)(=O)N4CCOCC4)nc
    c2C#N)C; Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3
    ncc(c(n3)C4=C(NC(=NC)S4)C)C#N    		 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile
    37798 T80
    ZINC000015657542    		 2 C29 H58 O7 InChI=1S/C29H58O7/c1-3-4-
    5-6-7-8-9-10-11-12-13-14-
    15-16-17-18-29(30)36-28-2
    7-35-26-25-34-24-23-33-22
    -21-32-20-19-31-2/h3-28H2
    ,1-2H3;
    AKUODCGCIHXMIY-UHFFFAOYSA-N    		 O=C(OCCOCCOCCOCCOCCOC)CCCCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC    		 METHYLPENTA(OXYETHYL) HEPTADECANOATE
    37799 T81
    CHEMBL1493596
    ZINC000019633911    		 1 C11 H15 Br N2 O S InChI=1S/C11H15BrN2OS/c1-
    9(15)14-6-4-13(5-7-14)8-1
    0-2-3-11(12)16-10/h2-3H,4
    -8H2,1H3;
    DJIREERJIYHRHW-UHFFFAOYSA-N    		 N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Br; CC(=O)N1
    CCN(CC1)Cc2ccc(s2)Br; CC(=O)N1CCN(CC1)Cc
    2sc(Br)cc2    		 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
    37800 T82 2 C16 H15 Br Cl N3 O2 InChI=1S/C16H15BrClN3O2/c
    17-14-6-10(4-5-15(14)22)9
    -20-21-16(23)13(8-19)11-2
    -1-3-12(18)7-11/h1-7,9,13
    ,22H,8,19H2,(H,21,23)/b20
    -9+/t13-/m1/s1;
    NCMIGNFSEKGWIC-PCQWDSEFSA-N    		 NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(C
    l)c2; c1cc(cc(c1)Cl)C(CN)C(=O)NN=Cc2ccc(
    c(c2)Br)O; c1cc(cc(c1)Cl)[C@@H](CN)C(=O)
    N/N=C/c2ccc(c(c2)Br)O; NC[C@@H](C(=O)N\N
    =C\c1ccc(O)c(Br)c1)c2cccc(Cl)c2    		 (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium;
    (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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