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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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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    31001
    NR3    		 1 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6+,7+,8+,9-,10
    -,11+,12+,25-/m0/s1;
    OMKXVFDVAGCPBS-HTOPOKEGSA-N    		 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]
    ([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[
    O-])O)CO)O)O; C1C(C(C([S+]1CC(C(C(C(C(CO
    )O)O)O)OS(=O)(=O)[O-])O)CO)O)O; OC[CH](O
    )[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH
    ](O)C[S+]1C[CH](O)[CH](O)[CH]1CO; OC[C@H
    ](O)[C@H](O)[C@@H](O)[C@H](O[S]([O-])(=O
    )=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@
    H]1CO    		 (1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    31002
    NR4    		 1 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6-,7-,8-,9+,10
    +,11-,12-,25+/m1/s1;
    OMKXVFDVAGCPBS-WJKNVNJGSA-N    		 C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(
    =O)[O-])O)CO)O)O; OC[CH](O)[CH](O)[CH](O
    )[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH
    ](O)[CH](O)[CH]1CO; OC[C@@H](O)[C@H](O)[
    C@@H](O)[C@H](O[S]([O-])(=O)=O)[C@H](O)C
    [S@+]1C[C@@H](O)[C@H](O)[C@H]1CO; C1[C@H
    ]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H
    ]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O
    )CO)O)O    		 (1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    31003
    NR5
    CHEMBL4574515    		 1 C25 H35 Cl N6 O3 InChI=1S/C25H35ClN6O3/c1-
    23(2,34)10-11-32-19-12-16
    (8-9-18(19)30(7)22(32)33)
    28-20-17(26)13-27-21(29-2
    0)31-14-24(3,4)35-25(5,6)
    15-31/h8-9,12-13,34H,10-1
    1,14-15H2,1-7H3,(H,27,28,
    29);
    BGCPLWWYPZAURQ-UHFFFAOYSA-N    		 CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3
    )N(C(=O)N4C)CCC(C)(C)O)Cl)C; CN1C(=O)N(C
    CC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC
    (C)(C)C4)ccc12    		 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    31004
    NR6    		 1 C18 H22 Cl2 N2 O3 InChI=1S/C18H22Cl2N2O3/c1
    9-11-16(23)21-12-13-5-9-2
    2(10-6-13)17(24)18(7-8-18
    )25-15-3-1-14(20)2-4-15/h
    1-4,13H,5-12H2,(H,21,23);
    QXDWNDTZFISQJX-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(C
    l)cc3; c1cc(ccc1OC2(CC2)C(=O)N3CCC(CC3)C
    NC(=O)CCl)Cl    		 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
    31005
    NR7
    CHEMBL4438562
    ZINC000205444408    		 1 C29 H30 Cl N5 O4 InChI=1S/C29H30ClN5O4/c1-
    39-29(38)32-21-10-11-22-2
    3(16-21)33-26(36)9-4-2-3-
    8-25(28-31-17-24(22)34-28
    )35-13-12-19(15-27(35)37)
    18-6-5-7-20(30)14-18/h2-3
    ,5-7,10-11,14,16-17,19,25
    H,4,8-9,12-13,15H2,1H3,(H
    ,31,34)(H,32,38)(H,33,36)
    /b3-2+/t19-,25-/m0/s1;
    YMEHWISYYMKMFO-WOMRJYOTSA-N    		 COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]
    cc2n3)N4CCC(CC4=O)c5cccc(c5)Cl; COC(=O)N
    c1ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](CC3=O)
    c4cccc(Cl)c4)c5[nH]cc2n5)c1; COC(=O)Nc1c
    cc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n
    3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl; COC(=O)
    Nc1ccc2c(NC(=O)CC/C=C/C[C@H](N3CC[C@@H](
    CC3=O)c4cccc(Cl)c4)c5[nH]cc2n5)c1; c1c(c
    c2c(c1)c5cnc(C(CC=CCCC(N2)=O)N4C(CC(c3cc
    cc(Cl)c3)CC4)=O)n5)NC(OC)=O    		 methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
    31006
    NR8
    CHEMBL4550911    		 1 C18 H18 Cl N5 O2 InChI=1S/C18H18ClN5O2/c1-
    3-12(25)10-24-16-8-11(4-5
    -15(16)23(2)18(24)26)22-1
    4-6-7-21-17(19)13(14)9-20
    /h4-8,12,25H,3,10H2,1-2H3
    ,(H,21,22)/t12-/m0/s1;
    YYQGUWHFXVXQOO-LBPRGKRZSA-N    		 CC[C@H](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c
    3C#N)cc12; CC[CH](O)CN1C(=O)N(C)c2ccc(Nc
    3ccnc(Cl)c3C#N)cc12; CC[C@@H](CN1c2cc(cc
    c2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O; CCC(CN1c2
    cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O    		 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    31007
    NR9
    CHEMBL393929
    ZINC000028821265    		 3 C18 H13 N3 O S2 InChI=1S/C18H13N3OS2/c22-
    17-16(24-18(21-17)20-11-1
    4-4-2-8-23-14)10-12-5-6-1
    5-13(9-12)3-1-7-19-15/h1-
    10H,11H2,(H,20,21,22)/b16
    -10-;
    XOLMRFUGOINFDQ-YBEGLDIGSA-N    		 O=C\1N=C(NCc2sccc2)SC\1=C\c3ccc4ncccc4c3
    ; c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cc
    cs4; O=C1N=C(S/C1=C\c3cc2cccnc2cc3)NCc4s
    ccc4; c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3
    )NCc4cccs4; O=C1N=C(NCc2sccc2)SC1=Cc3ccc
    4ncccc4c3    		 (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
    31008
    NRA
    CHEMBL187265
    ZINC000006090922    		 1 C13 H8 O6 InChI=1S/C13H8O6/c14-5-1-
    9(17)12-11(2-5)19-10-4-8(
    16)7(15)3-6(10)13(12)18/h
    1-4,14-17H;
    ZHTQCPCDXKMMLU-UHFFFAOYSA-N    		 O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3; c1
    c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O; Oc1c
    c(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1    		 norathyriol;
    1,3,6,7-tetrahydroxy-9H-xanthen-9-one
    31009
    NRB
    ZINC000016051866    		 5 C28 H47 N O7 InChI=1S/C28H47NO7/c1-10-
    23-15(2)11-12-22(30)16(3)
    13-17(4)26(19(6)24(31)20(
    7)27(33)35-23)36-28-25(32
    )21(29(8)9)14-18(5)34-28/
    h11-12,15-21,23,25-26,28,
    32H,10,13-14H2,1-9H3/b12-
    11+/t15-,16-,17+,18+,19-,
    20-,21-,23-,25-,26+,28-/m
    1/s1;
    OXFYAOOMMKGGAI-ZMIJTAGNSA-N    		 CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[C
    H]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[C
    H](C)C(=O)C=C[CH]1C; CCC1C(C=CC(=O)C(CC(
    C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(
    C)C)O)C)C)C; CC[C@@H]1[C@@H](\C=C\C(=O)[
    C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C
    (=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H]
    (O2)C)N(C)C)O)C)C)C; CC[C@H]1OC(=O)[C@H]
    (C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C
    )C[C@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C
    )C(=O)\C=C\[C@H]1C; O=C2C(C(OC1OC(CC(N(C
    )C)C1O)C)C(C)CC(C(=O)C=CC(C)C(OC(=O)C2C)
    CC)C)C    		 NARBOMYCIN
    31010
    NRC    		 1 C16 H15 Cl N2 O3 InChI=1S/C16H15ClN2O3/c1-
    10-6-7-18-9-13(10)19-15(2
    0)14(16(21)22-2)11-4-3-5-
    12(17)8-11/h3-9,14H,1-2H3
    ,(H,19,20)/t14-/m1/s1;
    LOFUGDOYUSJHEA-CQSZACIVSA-N    		 O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC; C
    c1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(=O)O
    C; COC(=O)[C@@H](C(=O)Nc1cnccc1C)c2cccc(
    Cl)c2; Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=
    O)OC; COC(=O)[CH](C(=O)Nc1cnccc1C)c2cccc
    (Cl)c2    		 methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate
    31011
    NRD
    CHEMBL55214
    DB11620
    ZINC000001999491    		 4 C6 H17 N O7 P2 InChI=1S/C6H17NO7P2/c7-5-
    3-1-2-4-6(8,15(9,10)11)16
    (12,13)14/h8H,1-5,7H2,(H2
    ,9,10,11)(H2,12,13,14);
    PUUSSSIBPPTKTP-UHFFFAOYSA-N    		 C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN; NCCCCC
    C(O)([P](O)(O)=O)[P](O)(O)=O    		 (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
    31012
    NRE
    CHEMBL2413522
    ZINC000096917227    		 2 C20 H23 Br F N3 O2 InChI=1S/C20H23BrFN3O2/c1
    -13-6-8-15(11-24-18-9-7-1
    4(21)10-23-18)25(12-13)20
    (26)16-4-3-5-17(22)19(16)
    27-2/h3-5,7,9-10,13,15H,6
    ,8,11-12H2,1-2H3,(H,23,24
    )/t13-,15-/m0/s1;
    TWCRHJLMMAYSTE-ZFWWWQNUSA-N    		 CC1CCC(N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c
    n3)Br; COc1c(F)cccc1C(=O)N2C[CH](C)CC[CH
    ]2CNc3ccc(Br)cn3; COc1c(F)cccc1C(=O)N2C[
    C@@H](C)CC[C@H]2CNc3ccc(Br)cn3; C[C@H]1C
    C[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c
    n3)Br    		 [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
    31013
    NRF
    CHEMBL1881194
    ZINC000000271610    		 5 C12 H9 Cl F3 N3 O InChI=1S/C12H9ClF3N3O/c1-
    17-9-6-18-19(11(20)10(9)1
    3)8-4-2-3-7(5-8)12(14,15)
    16/h2-6,17H,1H3;
    NVGOPFQZYCNLDU-UHFFFAOYSA-N    		 CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl
    ; CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F
    )F    		 Norflurazon
    31014
    NRG
    CHEMBL227744
    DB04223
    ZINC000019796052    		 7 C6 H13 N5 O4 InChI=1S/C6H13N5O4/c7-4(5
    (12)13)2-1-3-9-6(8)10-11(
    14)15/h4H,1-3,7H2,(H,12,1
    3)(H3,8,9,10)/t4-/m0/s1;
    MRAUNPAHJZDYCK-BYPYZUCNSA-N    		 N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [O-
    ][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N; N[C@@
    H](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [H]/N=
    C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]; [
    H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-]    		 N-OMEGA-NITRO-L-ARGININE;
    NNA
    31015
    NRH
    CHEMBL275224
    ZINC000000066039    		 2 C11 H8 N2 InChI=1S/C11H8N2/c1-2-4-1
    0-8(3-1)9-5-6-12-7-11(9)1
    3-10/h1-7,13H;
    AIFRHYZBTHREPW-UHFFFAOYSA-N    		 n3ccc2c1c(cccc1)nc2c3; c1ccc2c(c1)c3ccnc
    c3[nH]2; [nH]1c2ccccc2c3ccncc13    		 Norharmane;
    9H-beta-carboline
    31016
    NRI
    ZINC000005975943    		 0 C5 H12 N O5 P InChI=1S/C5H12NO5P/c7-5-2
    -6-1-4(5)3-11-12(8,9)10/h
    4-7H,1-3H2,(H2,8,9,10)/t4
    -,5+/m1/s1;
    DZBMWXHITVAZTC-UHNVWZDZSA-N    		 O[C@H]1CNC[C@@H]1CO[P](O)(O)=O; O[CH]1CN
    C[CH]1CO[P](O)(O)=O; C1[C@@H]([C@H](CN1)
    O)COP(=O)(O)O; C1C(C(CN1)O)COP(=O)(O)O;
    O=P(OCC1CNCC1O)(O)O    		 PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER
    31017
    NRJ
    CHEMBL4515523    		 1 C28 H28 Cl N5 O5 InChI=1S/C28H28ClN5O5/c1-
    38-27(36)31-19-10-11-20-2
    1(15-19)32-25(35)9-4-2-3-
    8-23(26-30-16-22(20)33-26
    )34-13-12-24(39-28(34)37)
    17-6-5-7-18(29)14-17/h2-3
    ,5-7,10-11,14-16,23-24H,4
    ,8-9,12-13H2,1H3,(H,30,33
    )(H,31,36)(H,32,35)/b3-2+
    /t23-,24+/m0/s1;
    ZRELHZVMHRERCT-KXHVVKIWSA-N    		 COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H]
    (c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)
    Cl; COC(=O)Nc1ccc2c(NC(=O)CC/C=C/C[C@H](
    N3CC[C@@H](OC3=O)c4cccc(Cl)c4)c5[nH]cc2n
    5)c1; c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cc
    cc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O; CO
    C(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc
    2n3)N4CCC(OC4=O)c5cccc(c5)Cl; COC(=O)Nc1
    ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](OC3=O)c4
    cccc(Cl)c4)c5[nH]cc2n5)c1    		 methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
    31018
    NRK
    CHEMBL3545367
    DB11951
    ZINC000118073503    		 3 C22 H20 F2 N4 O2 InChI=1S/C22H20F2N4O2/c1-
    13-19(11-25-14(2)27-13)30
    -12-22(15-4-3-5-16(23)8-1
    5)9-18(22)21(29)28-20-7-6
    -17(24)10-26-20/h3-8,10-1
    1,18H,9,12H2,1-2H3,(H,26,
    28,29)/t18-,22+/m0/s1;
    MUGXRYIUWFITCP-PGRDOPGGSA-N    		 Cc1c(cnc(n1)C)OCC2(CC2C(=O)Nc3ccc(cn3)F)
    c4cccc(c4)F; Cc1ncc(OC[C@]2(C[C@H]2C(=O)
    Nc3ccc(F)cn3)c4cccc(F)c4)c(C)n1; Cc1c(cn
    c(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)
    c4cccc(c4)F; Cc1ncc(OC[C]2(C[CH]2C(=O)Nc
    3ccc(F)cn3)c4cccc(F)c4)c(C)n1    		 (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
    31019
    NRL    		 0 C12 H17 N5 O5 InChI=1S/C12H17N5O5/c13-7
    -5-22-6-8(7)17(4-11(19)20
    )10(18)3-16-2-1-9(14)15-1
    2(16)21/h1-2,7-8H,3-6,13H
    2,(H,19,20)(H2,14,15,21)/
    t7-,8-/m0/s1;
    SSCQFEZTHMEZLU-YUMQZZPRSA-N    		 N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=CC(=NC
    2=O)N; N[C@H]1COC[C@@H]1N(CC(O)=O)C(=O)C
    N2C=CC(=NC2=O)N; C1C(C(CO1)N(CC(=O)O)C(=
    O)CN2C=CC(=NC2=O)N)N; C1[C@@H]([C@H](CO1
    )N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N; OC(=
    O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
    31020
    NRM
    CHEMBL1234822
    ZINC000058639126    		 1 C13 H11 N7 S InChI=1S/C13H11N7S/c1-8-4
    -11(21-19-8)18-12-13-15-7
    -10(9-5-16-17-6-9)20(13)3
    -2-14-12/h2-7H,1H3,(H,14,
    18)(H,16,17);
    XWFNCZUACYBPGT-UHFFFAOYSA-N    		 Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4; Cc
    1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1; n4c(
    Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4    		 N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
    31021
    NRN
    CHEMBL129014    		 2 C10 H13 N5 O3 InChI=1S/C10H13N5O3/c11-9
    -6-10(13-2-12-9)15(3-14-6
    )4-1-5(16)8(18)7(4)17/h2-
    5,7-8,16-18H,1H2,(H2,11,1
    2,13)/t4-,5+,7+,8-/m1/s1;
    VFKHECGAEJNAMV-HETMPLHPSA-N    		 c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([
    C@H]3O)O)O)N; Nc1ncnc2n(cnc12)[CH]3C[CH]
    (O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]
    3C[C@H](O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)
    n(cn2)C3CC(C(C3O)O)O)N    		 (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol;
    noraristeromycin
    31022
    NRO
    DB08302
    ZINC000006050692    		 3 C16 H15 N O5 InChI=1S/C16H15NO5/c1-2-4
    -13(17(20)21)10-14-7-8-15
    (22-14)11-5-3-6-12(9-11)1
    6(18)19/h3,5-10H,2,4H2,1H
    3,(H,18,19)/b13-10-;
    IRHZCQDCMUWUKV-RAXLEYEMSA-N    		 CCCC(=Cc1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O
    -])=O; CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)
    [N+](=O)[O-]; CCC\C(=C\c1oc(cc1)c2cccc(c
    2)C(O)=O)[N+]([O-])=O; [O-][N+](=O)/C(=C
    \c1oc(cc1)c2cccc(C(=O)O)c2)CCC    		 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
    31023
    NRP    		 0 C17 H19 N3 O4 InChI=1S/C17H19N3O4/c1-10
    (2)7-13(18)16-19-14(17(24
    )20(16)9-15(22)23)8-11-3-
    5-12(21)6-4-11/h3-6,8,10,
    18,21H,7,9H2,1-2H3,(H,22,
    23)/b14-8+,18-13+;
    BJIZAOIYQSFLFE-VHQTWSSFSA-N    		 [H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=
    O)N1CC(=O)O; CC(C)CC(=N)C1=NC(=Cc2ccc(O)
    cc2)C(=O)N1CC(O)=O; O=C1C(\N=C(C(=[N@H])
    CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2; CC(C)CC
    (=N)C1=NC(=C/c2ccc(O)cc2)/C(=O)N1CC(O)=O
    ; CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1
    CC(=O)O    		 {4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (LEU-TYR-GLY)
    31024
    NRQ    		 1 C16 H17 N3 O4 S InChI=1S/C16H17N3O4S/c1-2
    4-7-6-12(17)15-18-13(16(2
    3)19(15)9-14(21)22)8-10-2
    -4-11(20)5-3-10/h2-5,8,17
    ,20H,6-7,9H2,1H3,(H,21,22
    )/b13-8-,17-12-;
    QMTDZFYJRUOYRB-JEAYZUIJSA-N    		 [H]N=C(CCSC)C1=NC(=Cc2ccc(cc2)O)C(=O)N1C
    C(=O)O; [H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(c
    c2)O)/C(=O)N1CC(=O)O; CSCCC(=N)C1=NC(=Cc
    2ccc(O)cc2)C(=O)N1CC(O)=O; CSCCC(=N)C1=N
    \C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; O=C1C(
    \N=C(C(=[N@H])CCSC)N1CC(=O)O)=C\c2ccc(O)
    cc2    		 {(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (MET-TYR-GLY)
    31025
    NRR    		 1 C27 H29 N5 O InChI=1S/C27H29N5O/c1-30(
    2)11-10-26(33)20-6-9-25-2
    3(16-20)24-17-21(18-28-27
    (24)29-25)19-4-7-22(8-5-1
    9)32-14-12-31(3)13-15-32/
    h4-11,16-18H,12-15H2,1-3H
    3,(H,28,29)/b11-10-;
    JFOIWAWELQEHHK-KHPPLWFESA-N    		 CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c
    4nc3)C(=O)C=CN(C)C; CN(C)\C=C/C(=O)c1ccc
    2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5
    ; CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c
    4ccc(cc4)N5CCN(C)CC5    		 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one
    31026
    NRS
    CHEMBL3931964    		 1 C19 H15 N3 O4 S InChI=1S/C19H15N3O4S/c1-2
    2(14-7-6-12-4-2-3-5-13(12
    )10-14)27(25,26)15-8-9-16
    -17(11-15)21-19(24)18(23)
    20-16/h2-11H,1H3,(H,20,23
    )(H,21,24);
    HSAXTPZNMSIOAI-UHFFFAOYSA-N    		 CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC
    (=O)C(=O)N4; CN(c1ccc2ccccc2c1)[S](=O)(=
    O)c3ccc4NC(=O)C(=O)Nc4c3; O=S(c1ccc2c(c1
    )NC(C(N2)=O)=O)(N(C)c3ccc4c(c3)cccc4)=O    		 N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
    31027
    NRT    		 0 C10 H13 N5 O2 InChI=1S/C10H13N5O2/c11-1
    0-14-8-7(12-5-13-8)9(15-1
    0)17-4-6-2-1-3-16-6/h5-6H
    ,1-4H2,(H3,11,12,13,14,15
    )/t6-/m0/s1;
    HNPVBOXKEKDGNE-LURJTMIESA-N    		 Nc1nc2[nH]cnc2c(OC[C@@H]3CCCO3)n1; c1[nH
    ]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3; Nc1nc2
    [nH]cnc2c(OC[CH]3CCCO3)n1; n2c(OCC1OCCC1
    )c3ncnc3nc2N; c1[nH]c2c(n1)c(nc(n2)N)OCC
    3CCCO3    		 6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-PURIN-2-AMINE
    31028
    NRU    		 0 H18 N6 Ru InChI=1S/6H3N.Ru/h6*1H3;/
    q;;;;;;+3;
    HOOVQFBYNWLMGV-UHFFFAOYSA-N    		 N.N.N.N.N.N.[Ru+3]; [NH3][Ru+3]([NH3])([
    NH3])([NH3])([NH3])[NH3]    		 RUTHENIUM (III) HEXAAMINE ION;
    HEXAAMINORUTHENIUM
    31029
    NRV
    CHEMBL1524317
    ZINC000002205864    		 1 C16 H20 F N5 S InChI=1S/C16H20FN5S/c1-4-
    22(5-2)8-9-23-16-18-15-14
    (19-20-16)12-10-11(17)6-7
    -13(12)21(15)3/h6-7,10H,4
    -5,8-9H2,1-3H3;
    CBDNCFPVVCMFOD-UHFFFAOYSA-N    		 CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1; CCN
    (CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1; Cn2c1c
    cc(cc1c3c2nc(SCCN(CC)CC)nn3)F    		 N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine
    31030
    NRW
    ZINC000048344789    		 1 C12 H13 N3 O2 InChI=1S/C12H13N3O2/c1-9-
    6-11(17-14-9)12(16)15(2)8
    -10-4-3-5-13-7-10/h3-7H,8
    H2,1-2H3;
    YRZCJLIACJLYBI-UHFFFAOYSA-N    		 Cc1cc(on1)C(=O)N(C)Cc2cccnc2; CN(Cc1cccn
    c1)C(=O)c2onc(C)c2; Cc2cc(C(N(C)Cc1cccnc
    1)=O)on2    		 N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
    31031
    NRX    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    12-5-3-4-11(8-12)9-14(20)
    18-15-13-6-1-2-7-19(13)10
    -17-15/h1-8,10H,9H2,(H,18
    ,20);
    SDPLNJUUYIUIPZ-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2ncn3ccccc23)c1; c1ccn2
    cnc(c2c1)NC(=O)Cc3cccc(c3)Cl; Clc1cccc(c
    1)CC(=O)Nc1ncn2ccccc12    		 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide
    31032
    NRY    		 1 C21 H15 F2 N2 O InChI=1S/C21H15F2N2O/c22-
    17-7-3-15(4-8-17)20(26)14
    -25-13-12-24-11-1-2-19(24
    )21(25)16-5-9-18(23)10-6-
    16/h1-13H,14H2/q+1;
    QVAOSDLYVRSWEJ-UHFFFAOYSA-N    		 c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4c
    cc(cc4)F; c2[n+](c(c1ccc(F)cc1)c3cccn3c2
    )CC(=O)c4ccc(cc4)F; Fc1ccc(cc1)C(=O)C[n+
    ]2ccn3cccc3c2c4ccc(F)cc4    		 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
    31033
    NRZ
    CHEMBL3597952
    ZINC000009068446    		 1 C20 H24 N2 O4 S InChI=1S/C20H24N2O4S/c1-1
    4-11-15(2)13-16(12-14)21-
    20(23)19-5-4-10-22(19)27(
    24,25)18-8-6-17(26-3)7-9-
    18/h6-9,11-13,19H,4-5,10H
    2,1-3H3,(H,21,23)/t19-/m0
    /s1;
    NHPQGZOBHSVTAQ-IBGZPJMESA-N    		 COc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)N
    c3cc(C)cc(C)c3; COc1ccc(cc1)[S](=O)(=O)N
    2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3; Cc1cc(cc(
    c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)OC)C;
    Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)
    c3ccc(cc3)OC)C    		 (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
    31034
    NS0
    ZINC000058638795    		 101 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11+,25
    -15+,26-16+,31-17+,35-21+
    ,36-22+,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-XILUKMICSA-N    		 CC(C)CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C
    /C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C;
    CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(
    \C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C
    )/C)/C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 all-trans-1,2-dihydroneurosporene
    31035
    NS1
    ZINC000064436656    		 1 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11+,25
    -15+,26-16+,31-17+,35-21+
    ,36-22-,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-HFHFAFRXSA-N    		 CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/
    C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)
    /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C
    )=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC
    =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 15-trans-1,2-dihydroneurosporene
    31036
    NS2
    CHEMBL4297590
    DB15031    		 2 C23 H23 Cl N6 O2 InChI=1S/C23H23ClN6O2/c1-
    14-17(24)6-7-18-20(14)28-
    22(27-18)23(2)9-4-12-29(2
    3)21(31)16-13-15(32-3)5-8
    -19(16)30-25-10-11-26-30/
    h5-8,10-11,13H,4,9,12H2,1
    -3H3,(H,27,28)/t23-/m0/s1;
    NBGABHGMJVIVBW-QHCPKHFHSA-N    		 Cc1c(ccc2c1[nH]c(n2)C3(CCCN3C(=O)c4cc(cc
    c4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2)c(c1)
    C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4
    ; Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c
    4cc(ccc4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2
    )c(c1)C(=O)N3CCC[C@@]3(C)c4[nH]c5c(C)c(C
    l)ccc5n4    		 [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone
    31037
    NS3
    DB08303
    ZINC000053683061    		 1 C18 H28 N4 O4 S2 InChI=1S/C18H28N4O4S2/c1-
    13-11-15-17(27(23,24)20-1
    8(19-15)14-5-3-4-6-14)12-
    16(13)28(25,26)22-9-7-21(
    2)8-10-22/h11-12,14,18-20
    H,3-10H2,1-2H3/t18-/m0/s1;
    CUMKMTBOHBENJI-SFHVURJKSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[C@@H](N[S
    ]3(=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(
    c1)S(=O)(=O)NC(N2)C3CCCC3)C)N4CCN(C)CC4;
    Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=
    O)N[C@H](N2)C4CCCC4; CN1CCN(CC1)[S](=O)(
    =O)c2cc3c(N[CH](N[S]3(=O)=O)C4CCCC4)cc2C
    ; Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(
    =O)NC(N2)C4CCCC4    		 (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
    31038
    NS4
    CHEMBL7162
    DB14060
    ZINC000003791739    		 2 C13 H18 N2 O5 S InChI=1S/C13H18N2O5S/c1-2
    1(18,19)14-12-8-7-10(15(1
    6)17)9-13(12)20-11-5-3-2-
    4-6-11/h7-9,11,14H,2-6H2,
    1H3;
    KTDZCOWXCWUPEO-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O
    -]; C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]
    ([O-])=O; [O-][N+](=O)c2cc(OC1CCCCC1)c(N
    S(=O)(=O)C)cc2    		 N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
    31039
    NS5
    ZINC000064436376    		 35 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11-,25
    -15+,26-16+,31-17+,35-21+
    ,36-22+,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-DBWJSHEJSA-N    		 CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/
    C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)
    /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C
    )=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC
    =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 15-cis-1,2-dihydroneurosporene
    31040
    NS6
    DB08304
    ZINC000038397218    		 4 C18 H27 N3 O4 S2 InChI=1S/C18H27N3O4S2/c1-
    20-8-10-21(11-9-20)27(24,
    25)16-7-6-15-12-17(14-4-2
    -3-5-14)19-26(22,23)18(15
    )13-16/h6-7,13-14,17,19H,
    2-5,8-12H2,1H3/t17-/m1/s1;
    QZBQVXXESPXFPZ-QGZVFWFLSA-N    		 CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)
    NC(C3)C4CCCC4; CN1CCN(CC1)[S](=O)(=O)c2c
    cc3C[C@@H](N[S](=O)(=O)c3c2)C4CCCC4; CN1
    CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C
    @H](C3)C4CCCC4; O=S(=O)(c1ccc2c(c1)S(=O)
    (=O)NC(C2)C3CCCC3)N4CCN(C)CC4; CN1CCN(CC
    1)[S](=O)(=O)c2ccc3C[CH](N[S](=O)(=O)c3c
    2)C4CCCC4    		 (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
    31041
    NS7
    DB08305
    ZINC000039286895    		 2 C19 H29 N3 O4 S2 InChI=1S/C19H29N3O4S2/c1-
    14-11-16-12-17(15-5-3-4-6
    -15)20-27(23,24)19(16)13-
    18(14)28(25,26)22-9-7-21(
    2)8-10-22/h11,13,15,17,20
    H,3-10,12H2,1-2H3/t17-/m1
    /s1;
    KQAGZLQCEURCKJ-QGZVFWFLSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[CH](N[S]3
    (=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(c1
    )S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4; C
    c1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)
    NC(C2)C4CCCC4; Cc1cc2c(cc1S(=O)(=O)N3CCN
    (CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4; CN1CC
    N(CC1)[S](=O)(=O)c2cc3c(C[C@@H](N[S]3(=O
    )=O)C4CCCC4)cc2C    		 (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
    31042
    NS8
    CHEMBL230156
    ZINC000001700197    		 3 C8 H7 N O2 InChI=1S/C8H7NO2/c10-9(11
    )7-6-8-4-2-1-3-5-8/h1-7H/
    b7-6+;
    PIAOLBVUVDXHHL-VOTSOKGWSA-N    		 c1ccc(cc1)/C=C/[N+](=O)[O-]; [O-][N+](=O
    )/C=C/c1ccccc1; [O-][N+](=O)C=Cc1ccccc1;
    c1ccc(cc1)C=C[N+](=O)[O-]; [O-][N+]([C@
    H]=Cc1ccccc1)=O    		 trans beta nitrostyrene
    31043
    NS9
    CHEMBL1234833
    ZINC000058655676    		 2 C20 H27 N5 O3 InChI=1S/C20H27N5O3/c1-13
    (2)15-10-22-25-19(21-9-14
    -6-4-3-5-7-14)8-18(24-20(
    15)25)23-16(11-26)17(28)1
    2-27/h3-8,10,13,16-17,21,
    26-28H,9,11-12H2,1-2H3,(H
    ,23,24)/t16-,17+/m0/s1;
    KRIWIRSMQRQYJG-DLBZAZTESA-N    		 CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO
    )[C@@H](CO)O; CC(C)c1cnn2c(NCc3ccccc3)cc
    (N[CH](CO)[CH](O)CO)nc12; CC(C)c1cnn2c1n
    c(cc2NCc3ccccc3)NC(CO)C(CO)O; n2c(cc(NCc
    1ccccc1)n3ncc(c23)C(C)C)NC(C(O)CO)CO; CC
    (C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H
    ](O)CO)nc12    		 (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
    31044
    NSA
    CHEMBL1234834
    ZINC000001564818    		 0 C8 H7 Cl2 N O InChI=1S/C8H7Cl2NO/c9-7(1
    0)8(12)11-6-4-2-1-3-5-6/h
    1-5,7H,(H,11,12);
    KJSVAEGLTPBKAA-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)C(Cl)Cl; ClC(Cl)C(=O)Nc1cc
    ccc1; c1ccc(cc1)NC(=O)C(Cl)Cl    		 2,2-DICHLORO-N-PHENYL-ACETAMIDE
    31045
    NSB
    ZINC000001674777    		 1 C6 H16 N O3 S InChI=1S/C6H15NO3S/c1-7(2
    ,3)5-4-6-11(8,9)10/h4-6H2
    ,1-3H3/p+1;
    WFJHXXPYPMNRPK-UHFFFAOYSA-O    		 O=S(=O)(O)CCC[N+](C)(C)C; C[N+](C)(C)CCC
    S(=O)(=O)O; C[N+](C)(C)CCC[S](O)(=O)=O    		 N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM
    31046
    NSC
    CHEMBL87223
    DB04452
    ZINC000022910880    		 4 C21 H20 N6 O InChI=1S/C21H20N6O/c1-11-
    7-17(22)15-9-13(3-5-19(15
    )24-11)26-21(28)27-14-4-6
    -20-16(10-14)18(23)8-12(2
    )25-20/h3-10H,1-2H3,(H2,2
    2,24)(H2,23,25)(H2,26,27,
    28);
    HOUSDILKOJMENG-UHFFFAOYSA-N    		 Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3
    )ccc2n1; c2c1c(N)cc(C)nc1ccc2NC(=O)Nc4cc
    3c(N)cc(C)nc3cc4; Cc1cc(c2cc(ccc2n1)NC(=
    O)Nc3ccc4c(c3)c(cc(n4)C)N)N    		 N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
    31047
    NSD
    CHEMBL28743
    ZINC000001529642    		 5 C6 H17 N3 InChI=1S/C6H17N3/c7-3-1-5
    -9-6-2-4-8/h9H,1-8H2;
    OTBHHUPVCYLGQO-UHFFFAOYSA-N    		 C(CN)CNCCCN; NCCCNCCCN N-(3-aminopropyl)propane-1,3-diamine
    31048
    NSE
    CHEMBL3103988
    ZINC000078938112    		 12 C14 H8 N4 O InChI=1S/C14H8N4O/c15-8-1
    0-3-1-4-11(7-10)14-17-13(
    18-19-14)12-5-2-6-16-9-12
    /h1-7,9H;
    HGFXDSQLRSWUBO-UHFFFAOYSA-N    		 c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N; N#Cc1c
    ccc(c1)c2onc(n2)c3cccnc3; N#Cc3cccc(c1nc
    (no1)c2cnccc2)c3    		 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;
    NS9283
    31049
    NSF    		 0 C12 H15 I N4 O6 InChI=1S/C12H15IN4O6/c13-
    6-1-16(12(22)15-11(6)21)2
    -9(18)17(3-10(19)20)8-5-2
    3-4-7(8)14/h1,7-8H,2-5,14
    H2,(H,19,20)(H,15,21,22)/
    t7-,8-/m0/s1;
    ZIWCTTLPOMQDJH-YUMQZZPRSA-N    		 C1[C@@H]([C@H](CO1)N(CC(=O)O)C(=O)CN2C=C
    (C(=O)NC2=O)I)N; N[CH]1COC[CH]1N(CC(O)=O
    )C(=O)CN2C=C(I)C(=O)NC2=O; C1C(C(CO1)N(C
    C(=O)O)C(=O)CN2C=C(C(=O)NC2=O)I)N; OC(=O
    )CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O; N
    [C@H]1COC[C@@H]1N(CC(O)=O)C(=O)CN2C=C(I)
    C(=O)NC2=O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
    31050
    NSG
    ZINC000199600282    		 2 C8 H15 N O4 S InChI=1S/C8H15NO4S/c1-3-9
    -5-7(12)6(11)4(2-10)13-8(
    5)14-3/h3-12H,2H2,1H3/t3-
    ,4+,5+,6-,7+,8+/m0/s1;
    XWPUWEBFKDEDIF-JMHNFOGYSA-N    		 CC1NC2C(C(C(OC2S1)CO)O)O; C[CH]1N[CH]2[C
    H](O)[CH](O)[CH](CO)O[CH]2S1; C[C@H]1N[C
    @@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]
    2S1; C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[
    C@@H]2S1)CO)O)O    		 (2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol
    31051
    NSI
    CHEMBL376627
    ZINC000001911737    		 2 C30 H23 F3 N2 O4 S InChI=1S/C30H23F3N2O4S/c1
    -39-23-16-14-21(15-17-23)
    27-25-12-5-6-13-26(25)35(
    19-20-8-7-9-22(18-20)30(3
    1,32)33)28(27)29(36)34-40
    (37,38)24-10-3-2-4-11-24/
    h2-18H,19H2,1H3,(H,34,36);
    BCPFCXDCWUXOGT-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3ccccc3n(Cc4cccc(c4)C(F)(
    F)F)c2C(=O)N[S](=O)(=O)c5ccccc5; O=S(=O)
    (c1ccccc1)NC(=O)c3c(c2ccccc2n3Cc4cccc(c4
    )C(F)(F)F)c5ccc(OC)cc5; COc1ccc(cc1)c2c3
    ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5ccc
    c(c5)C(F)(F)F    		 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE
    31052
    NSJ
    ZINC000000237165    		 4 C11 H15 N O S InChI=1S/C11H15NOS/c13-11
    -3-1-2-10(8-11)9-12-4-6-1
    4-7-5-12/h1-3,8,13H,4-7,9
    H2;
    NSDQSEGFFDPDRA-UHFFFAOYSA-N    		 Oc1cccc(CN2CCSCC2)c1; c1cc(cc(c1)O)CN2CC
    SCC2; N1(CCSCC1)Cc2cccc(c2)O    		 3-[(thiomorpholin-4-yl)methyl]phenol
    31053
    NSK
    ZINC000016052354    		 1 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c11-6
    -2-1-3-7(10(16)17)12-8(13
    )4-5-9(14)15/h7H,1-6,11H2
    ,(H,12,13)(H,14,15)(H,16,
    17)/t7-/m0/s1;
    XEOGRHZGJFTETQ-ZETCQYMHSA-N    		 NCCCC[C@H](NC(=O)CCC(O)=O)C(O)=O; O=C(NC
    (C(=O)O)CCCCN)CCC(=O)O; NCCCC[CH](NC(=O)
    CCC(O)=O)C(O)=O; C(CCN)CC(C(=O)O)NC(=O)C
    CC(=O)O; C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(
    =O)O    		 N-SUCCINYL LYSINE;
    N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
    31054
    NSL
    CHEMBL79759
    ZINC000100010406    		 2 C12 H10 N2 O InChI=1S/C12H10N2O/c15-12
    -8-6-11(7-9-12)14-13-10-4
    -2-1-3-5-10/h1-9,15H/b14-
    13+;
    BEYOBVMPDRKTNR-BUHFOSPRSA-N    		 c1ccc(cc1)/N=N/c2ccc(cc2)O; c1ccc(cc1)N=
    Nc2ccc(cc2)O; c1ccc(cc1)\N=N\c2ccc(O)cc2
    ; Oc1ccc(cc1)N=Nc2ccccc2    		 4-Hydroxyazobenzene;
    4-[(E)-phenyldiazenyl]phenol
    31055
    NSM    		 8 C H3 N O InChI=1S/CH3NO/c1-2-3/h1H
    3;
    IMHRONYAKYWGCC-UHFFFAOYSA-N    		 CN=O; O=NC NITROSOMETHANE
    31056
    NSN
    ZINC000058638732    		 1 C7 H11 N3 O4 InChI=1S/C7H11N3O4/c1-3(6
    (8)13)10-4(7(9)14)2-5(11)
    12/h4H,2H2,1H3,(H2,8,13)(
    H2,9,14)(H,11,12)/b10-3+/
    t4-/m0/s1;
    YZKQNDLOQTXCHV-BNTYAIEMSA-N    		 CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O;
    [O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N; C
    C(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N; CC(=
    [NH+][C@@H](CC([O-])=O)C(N)=O)C(N)=O; CC
    (=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N    		 N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE
    31057
    NSO    		 1 C28 H28 F N7 O InChI=1S/C28H28FN7O/c1-3-
    26(37)30-21-5-4-6-22(18-2
    1)31-27-24-17-19(29)7-12-
    25(24)33-28(34-27)32-20-8
    -10-23(11-9-20)36-15-13-3
    5(2)14-16-36/h3-12,17-18H
    ,1,13-16H2,2H3,(H,30,37)(
    H2,31,32,33,34);
    KDWNVZXLHSMELQ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cc4c(n3)N
    c5cccc(c5)NC(=O)C=C)F; CN1CCN(CC1)c2ccc(
    Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3
    )cc2    		 ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
    31058
    NSP
    DB03204
    ZINC000000336542    		 0 C6 H10 N4 InChI=1S/C6H10N4/c1-4-9-3
    -5(2-7)6(8)10-4/h3H,2,7H2
    ,1H3,(H2,8,9,10);
    OZOHTVFCSKFMLL-UHFFFAOYSA-N    		 n1c(N)c(cnc1C)CN; Cc1ncc(c(n1)N)CN; Cc1n
    cc(CN)c(N)n1    		 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE
    31059
    NSQ
    ZINC000263620619    		 10 C12 H15 N O10 S InChI=1S/C12H15NO10S/c14-
    9-8(5-24(19,20)21)23-12(1
    1(16)10(9)15)22-7-3-1-6(2
    -4-7)13(17)18/h1-4,8-12,1
    4-16H,5H2,(H,19,20,21)/t8
    -,9-,10+,11-,12+/m1/s1;
    JRVQBBIDMNDOQV-ZIQFBCGOSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@
    H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O; O[
    C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[C@H]
    (Oc2ccc(cc2)[N+]([O-])=O)[C@@H]1O; c1cc(
    ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CS(=O)(=O
    )O)O)O)O; O[CH]1[CH](O)[CH](C[S](O)(=O)=
    O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O    		 4-nitrophenyl alpha-D-6-sulfoquinovoside;
    4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE
    31060
    NSR    		 2 C19 H15 Cl N2 O2 InChI=1S/C19H15ClN2O2/c20
    -13-5-6-18-16(9-13)15(7-8
    -24-18)19(23)22-17-11-21-
    10-12-3-1-2-4-14(12)17/h1
    -6,9-11,15H,7-8H2,(H,22,2
    3)/t15-/m1/s1;
    QRUNNMAOPKEFMJ-OAHLLOKOSA-N    		 Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21;
    c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl
    ; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc
    (cc4)Cl; Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4
    ccccc34)c2c1; Clc1ccc2OCC[CH](C(=O)Nc3cn
    cc4ccccc34)c2c1    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31061
    NSS    		 7 C14 H21 N8 O8 S InChI=1S/C14H20N8O8S/c15-
    5(1-7(16)23)13(26)21-31(2
    7,28)29-2-6-9(24)10(25)14
    (30-6)22-4-20-8-11(17)18-
    3-19-12(8)22/h3-6,9-10,14
    ,24-25H,1-2,15H2,(H2,16,2
    3)(H,21,26)(H2,17,18,19)/
    p+1/t5-,6+,9+,10+,14+/m0/
    s1;
    MOAVDHSPHZUJSX-UFIIOMENSA-O    		 O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3O)[NH3+]; NC(=O)C[CH]([NH3
    +])C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(c
    n2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(
    =O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N; NC(
    =O)C[C@H]([NH3+])C(=O)N[S](=O)(=O)OC[C@H
    ]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc
    23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)
    (=O)NC(=O)C(CC(=O)N)[NH3+])O)O)N    		 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE;
    ASN-SA
    31062
    NST
    DB08306
    ZINC000003881295    		 1 C11 H8 N2 O6 S2 InChI=1S/C11H8N2O6S2/c14-
    11(15)10-9(4-5-20-10)21(1
    8,19)12-7-2-1-3-8(6-7)13(
    16)17/h1-6,12H,(H,14,15);
    CITCNTPVKZFUAJ-UHFFFAOYSA-N    		 c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc
    2C(=O)O; OC(=O)c1sccc1[S](=O)(=O)Nc2cccc
    (c2)[N+]([O-])=O; O=C(O)c1sccc1S(=O)(=O)
    Nc2cccc([N+]([O-])=O)c2    		 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
    31063
    NSU    		 0 C13 H18 N4 O6 InChI=1S/C13H18N4O6/c1-7-
    2-16(13(22)15-12(7)21)3-1
    0(18)17(4-11(19)20)9-6-23
    -5-8(9)14/h2,8-9H,3-6,14H
    2,1H3,(H,19,20)(H,15,21,2
    2)/t8-,9-/m0/s1;
    VRGRCASITUVCPS-IUCAKERBSA-N    		 CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2
    COC[C@@H]2N; OC(=O)CN(C1COCC1N)C(=O)CN1C
    =C(C)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)CC(=O
    )N(CC(=O)O)C2COCC2N; CC1=CN(CC(=O)N(CC(O
    )=O)[C@H]2COC[C@@H]2N)C(=O)NC1=O; CC1=CN
    (CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1
    =O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
    31064
    NSV
    ZINC000049533897    		 1 C9 H15 N3 S InChI=1S/C9H15N3S/c1-8-11
    -6-9(13-8)7-12-4-2-10-3-5
    -12/h6,10H,2-5,7H2,1H3;
    JBVOQOLBRWVANK-UHFFFAOYSA-N    		 Cc1ncc(s1)CN2CCNCC2; n2cc(CN1CCNCC1)sc2C
    ; Cc1sc(CN2CCNCC2)cn1    		 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine
    31065
    NSW    		 6 C25 H21 N4 O3 InChI=1S/C25H20N4O3/c30-2
    0-10-6-18(7-11-20)15-29-2
    5(32)28-16-23(19-8-12-21(
    31)13-9-19)26-22(24(28)27
    -29)14-17-4-2-1-3-5-17/h1
    -13,16,30-31H,14-15H2/p+1;
    FAFQJYQLYIUGAT-UHFFFAOYSA-O    		 Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c
    5ccc(O)cc5)cc1; c1ccc(cc1)Cc2c3[n+](cc(n
    2)c4ccc(cc4)O)C(=O)N(N3)Cc5ccc(cc5)O    		 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
    31066
    NSX
    ZINC000150344818    		 6 C57 H64 N8 O6 InChI=1S/C57H64N8O6/c58-5
    7(59)62-35-12-20-50(56(71
    )65-51(37-41-25-31-48(66)
    32-26-41)54(69)61-36-33-4
    0-13-4-1-5-14-40)64-55(70
    )49(63-53(68)39-43-23-29-
    47(30-24-43)45-17-8-3-9-1
    8-45)19-10-11-34-60-52(67
    )38-42-21-27-46(28-22-42)
    44-15-6-2-7-16-44/h1-9,13
    -18,21-32,49-51,66H,10-12
    ,19-20,33-39H2,(H,60,67)(
    H,61,69)(H,63,68)(H,64,70
    )(H,65,71)(H4,58,59,62)/t
    49-,50+,51-/m0/s1;
    IFVMSTPAHOWZAK-HLRAQNEOSA-N    		 O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=
    O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccc(O)c
    c4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6; N
    C(=N)NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc
    1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4ccc
    cc4)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCCc6
    ccccc6; c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O
    )NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)Cc
    3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccc
    cc6; [H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](
    Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H
    ](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc
    5ccc(cc5)c6ccccc6; NC(=N)NCCC[CH](NC(=O)
    [CH](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O
    )Cc3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccc(O
    )cc5)C(=O)NCCc6ccccc6    		 N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
    31067
    NSY
    ZINC000150344820    		 12 C57 H64 N8 O5 InChI=1S/C57H64N8O5/c58-5
    7(59)62-36-15-25-50(56(70
    )65-51(38-42-18-7-2-8-19-
    42)54(68)61-37-34-41-16-5
    -1-6-17-41)64-55(69)49(63
    -53(67)40-44-28-32-48(33-
    29-44)46-22-11-4-12-23-46
    )24-13-14-35-60-52(66)39-
    43-26-30-47(31-27-43)45-2
    0-9-3-10-21-45/h1-12,16-2
    3,26-33,49-51H,13-15,24-2
    5,34-40H2,(H,60,66)(H,61,
    68)(H,63,67)(H,64,69)(H,6
    5,70)(H4,58,59,62)/t49-,5
    0+,51-/m0/s1;
    YLNSEFZQVOPLSQ-HLRAQNEOSA-N    		 NC(=N)NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)C
    c1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4cc
    ccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)NCCc6cc
    ccc6; [H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H]
    (Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](
    CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5c
    cc(cc5)c6ccccc6; NC(=N)NCCC[CH](NC(=O)[C
    H](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O)C
    c3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccccc5)
    C(=O)NCCc6ccccc6; c1ccc(cc1)CCNC(=O)C(Cc
    2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN
    C(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc
    5)c6ccccc6; O=C(NCCCCC(NC(=O)Cc2ccc(c1cc
    ccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc
    3)Cc4ccccc4)CCCNC(=[N@H])N)Cc6ccc(c5cccc
    c5)cc6    		 N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
    31068
    NSZ
    ZINC000058638412    		 2 C41 H49 N7 O4 S InChI=1S/C41H49N7O4S/c1-5
    3-28-36(46-37(49)27-31-19
    -21-33(22-20-31)32-16-9-4
    -10-17-32)40(52)47-34(18-
    11-24-45-41(42)43)39(51)4
    8-35(26-30-14-7-3-8-15-30
    )38(50)44-25-23-29-12-5-2
    -6-13-29/h2-10,12-17,19-2
    2,34-36H,11,18,23-28H2,1H
    3,(H,44,50)(H,46,49)(H,47
    ,52)(H,48,51)(H4,42,43,45
    )/t34-,35+,36+/m1/s1;
    UYRQVAFRIYOHSH-SBPNQFBHSA-N    		 CSC[C@H](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O)
    N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3
    )C(=O)NCCc4ccccc4; [H]/N=C(/N)\NCCCC(C(=
    O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(
    =O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4; CSCC
    (C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(
    =O)NCCc2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4
    ; CSC[CH](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O
    )N[CH](CCCNC(N)=N)C(=O)N[CH](Cc3ccccc3)C
    (=O)NCCc4ccccc4; O=C(NC(C(=O)NC(C(=O)NC(
    C(=O)NCCc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])
    N)CSC)Cc4ccc(c3ccccc3)cc4    		 N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
    31069
    NT
    CHEMBL307767
    ZINC000004403891    		 0 C18 H26 N10 O3 InChI=1S/C18H26N10O3/c1-2
    7-9-11(6-12(27)16(30)23-4
    -3-14(19)20)26-17(31)13-5
    -10(8-28(13)2)25-15(29)7-
    24-18(21)22/h5-6,8-9H,3-4
    ,7H2,1-2H3,(H3,19,20)(H,2
    3,30)(H,25,29)(H,26,31)(H
    4,21,22,24);
    IDBIFFKSXLYUOT-UHFFFAOYSA-N    		 Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)
    N)NC(=O)CNC(=N)N; O=C(Nc1cc(C(=O)NCCC(=[
    N@H])N)n(c1)C)c2cc(NC(=O)CNC(=[N@H])N)cn
    2C; Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=N)cn2C
    )cc1C(=O)NCCC(N)=N    		 NETROPSIN
    31070
    NT0    		 2 C23 H19 N3 O2 InChI=1S/C23H19N3O2/c27-2
    2(15-19-12-7-13-28-19)26-
    23-20(14-17-8-3-1-4-9-17)
    25-21(16-24-23)18-10-5-2-
    6-11-18/h1-13,16H,14-15H2
    ,(H,24,26,27);
    SGNAEEQPPHGYPX-UHFFFAOYSA-N    		 O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc
    4; c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)
    Cc4ccco4    		 N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide;
    2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide
    31071
    NT1    		 0 C55 H98 O54 S6 InChI=1S/C55H98O54S6/c1-7
    8-15-21-14-22(80-3)33(82-
    5)50(95-21)100-30-24(16-7
    9-2)96-51(43(87-10)34(30)
    83-6)101-31-25(19-93-111(
    63,64)65)97-52(44(88-11)3
    5(31)84-7)103-38-36(85-8)
    46(90-13)54(106-41(38)48(
    56)57)102-32-26(20-94-112
    (66,67)68)98-55(47(109-11
    5(75,76)77)40(32)108-114(
    72,73)74)104-39-37(86-9)4
    5(89-12)53(105-42(39)49(5
    8)59)99-29-23(18-92-110(6
    0,61)62)91-17-27(28(29)81
    -4)107-113(69,70)71/h21-5
    9H,14-20H2,1-13H3,(H,60,6
    1,62)(H,63,64,65)(H,66,67
    ,68)(H,69,70,71)(H,72,73,
    74)(H,75,76,77)/t21-,22-,
    23+,24+,25+,26+,27-,28+,2
    9+,30+,31+,32+,33+,34-,35
    -,36-,37-,38-,39-,40-,41-
    ,42+,43+,44+,45+,46+,47+,
    50?,51-,52+,53+,54+,55+/m
    0/s1;
    QNKPWFIPDVKGET-ARQCQYMKSA-N    		 COC[CH]1C[CH](OC)[CH](OC)[CH](O1)O[CH]2[
    CH](COC)O[CH](O[CH]3[CH](CO[S](O)(=O)=O)
    O[CH](O[CH]4[CH](OC)[CH](OC)[CH](O[CH]4C
    (O)O)O[CH]5[CH](CO[S](O)(=O)=O)O[CH](O[C
    H]6[CH](OC)[CH](OC)[CH](O[CH]6C(O)O)O[CH
    ]7[CH](CO[S](O)(=O)=O)OC[CH](O[S](O)(=O)
    =O)[CH]7OC)[CH](O[S](O)(=O)=O)[CH]5O[S](
    O)(=O)=O)[CH](OC)[CH]3OC)[CH](OC)[CH]2OC
    ; COC[C@@H]1C[C@H](OC)[C@@H](OC)[C@H](O1
    )O[C@@H]2[C@@H](COC)O[C@@H](O[C@@H]3[C@@
    H](CO[S](O)(=O)=O)O[C@H](O[C@H]4[C@H](OC
    )[C@@H](OC)[C@@H](O[C@@H]4C(O)O)O[C@@H]5
    [C@@H](CO[S](O)(=O)=O)O[C@H](O[C@H]6[C@H
    ](OC)[C@@H](OC)[C@@H](O[C@H]6C(O)O)O[C@@
    H]7[C@@H](CO[S](O)(=O)=O)OC[C@H](O[S](O)
    (=O)=O)[C@H]7OC)[C@H](O[S](O)(=O)=O)[C@H
    ]5O[S](O)(=O)=O)[C@H](OC)[C@H]3OC)[C@H](
    OC)[C@H]2OC; COCC1CC(C(C(O1)OC2C(OC(C(C2
    OC)OC)OC3C(OC(C(C3OC)OC)OC4C(C(C(OC4C(O)
    O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC
    6C(C(C(OC6C(O)O)OC7C(OCC(C7OC)OS(=O)(=O)
    O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)
    COS(=O)(=O)O)COC)OC)OC; O=S(=O)(OCC7OCC(
    OS(=O)(=O)O)C(OC)C7OC6OC(C(O)O)C(OC5OC(C
    (OC4OC(C(OC3OC(COS(=O)(=O)O)C(OC2OC(COC)
    C(OC1OC(CC(OC)C1OC)COC)C(OC)C2OC)C(OC)C3
    OC)C(OC)C4OC)C(O)O)C(OS(=O)(=O)O)C5OS(=O
    )(=O)O)COS(=O)(=O)O)C(OC)C6OC)O; COC[C@@
    H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@
    H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@
    @H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@
    H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[
    C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O
    )O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O
    )O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O
    )(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)O
    C)OC)COS(=O)(=O)O)COC)OC)OC    		 HEPARIN HEPTASACCHARIDE
    31072
    NT2    		 0 C6 H12 O18 S4 InChI=1S/C6H12O18S4/c7-6-
    5(24-28(17,18)19)4(23-27(
    14,15)16)3(22-26(11,12)13
    )2(21-6)1-20-25(8,9)10/h2
    -7H,1H2,(H,8,9,10)(H,11,1
    2,13)(H,14,15,16)(H,17,18
    ,19)/t2-,3-,4+,5-,6+/m1/s
    1;
    SPIXVQOXHJQNTH-DVKNGEFBSA-N    		 C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O
    )OS(=O)(=O)O)OS(=O)(=O)O; C([C@@H]1[C@H]
    ([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(
    =O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O; O=S(=O
    )(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O
    )C1OS(=O)(=O)O; O[CH]1O[CH](CO[S](O)(=O)
    =O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O
    )[CH]1O[S](O)(=O)=O; O[C@H]1O[C@H](CO[S]
    (O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S
    ](O)(=O)=O)[C@H]1O[S](O)(=O)=O    		 2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE
    31073
    NT3    		 4 C5 H Fe N6 O InChI=1S/5CN.Fe.HNO/c5*1-
    2;;1-2/h;;;;;;2H/q5*-1;+2
    ;/p+1;
    FXHPAMQNLMZRAK-UHFFFAOYSA-O    		 [Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#
    N.N#[OH+]; [C-](#N)[Fe+2]([C-]#N)([C-]#N
    )([C-]#N)([C-]#N)[N]#[OH+]    		 Nitroprusside ion
    31074
    NT4
    CHEMBL3289023    		 1 C27 H30 N6 O3 InChI=1S/C27H30N6O3/c28-1
    9-5-7-20(8-6-19)33-27(34)
    18-13-23(35-21-9-1-16(2-1
    0-21)25(29)30)15-24(14-18
    )36-22-11-3-17(4-12-22)26
    (31)32/h1-4,9-15,19-20H,5
    -8,28H2,(H3,29,30)(H3,31,
    32)(H,33,34)/t19-,20-;
    PCTUHSSCHRLPLB-MXVIHJGJSA-N    		 [H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)N
    C3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N; c1c
    c(ccc1C(=N)N)Oc2cc(cc(c2)Oc3ccc(cc3)C(=N
    )N)C(=O)NC4CCC(CC4)N; N[C@H]1CC[C@@H](CC
    1)NC(=O)c2cc(Oc3ccc(cc3)C(N)=N)cc(Oc4ccc
    (cc4)C(N)=N)c2; O=C(NC1CCC(N)CC1)c4cc(Oc
    2ccc(C(=[N@H])N)cc2)cc(Oc3ccc(C(=[N@H])N
    )cc3)c4; N[CH]1CC[CH](CC1)NC(=O)c2cc(Oc3
    ccc(cc3)C(N)=N)cc(Oc4ccc(cc4)C(N)=N)c2    		 N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide
    31075
    NT5
    CHEMBL2107822
    DB12158
    ZINC000043201232    		 2 C24 H25 F N4 O2 InChI=1S/C24H25FN4O2/c1-1
    6-4-8-20(23-26-10-3-11-27
    -23)21(12-16)24(30)29-14-
    18(6-5-17(29)2)15-31-22-9
    -7-19(25)13-28-22/h3-4,7-
    13,17-18H,5-6,14-15H2,1-2
    H3/t17-,18-/m1/s1;
    NPFDWHQSDBWQLH-QZTJIDSGSA-N    		 C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c
    3cc(C)ccc3c4ncccn4; Cc1ccc(c(c1)C(=O)N2C
    [C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4;
    C[CH]1CC[CH](COc2ccc(F)cn2)CN1C(=O)c3cc
    (C)ccc3c4ncccn4; Cc1ccc(c(c1)C(=O)N2CC(C
    CC2C)COc3ccc(cn3)F)c4ncccn4    		 [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone
    31076
    NT6    		 6 C16 H18 Cl2 N2 O InChI=1S/C16H18Cl2N2O/c17
    -12-4-14(19-8-13(12)18)20
    -15(21)16-5-9-1-10(6-16)3
    -11(2-9)7-16/h4,8-11H,1-3
    ,5-7H2,(H,19,20,21)/t9-,1
    0+,11-,16-;
    RBBBMHRIAFVEFR-XMEMTASGSA-N    		 Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
    ; c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)C
    l)Cl; O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(
    C3)C1)C2    		 (3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide
    31077
    NT7
    CHEMBL1605695
    ZINC000019235648    		 5 C14 H20 N2 O2 InChI=1S/C14H20N2O2/c1-11
    -4-3-5-13(12(11)2)15-14(1
    7)10-16-6-8-18-9-7-16/h3-
    5H,6-10H2,1-2H3,(H,15,17);
    PPTFUQPLPCCALB-UHFFFAOYSA-N    		 Cc1cccc(NC(=O)CN2CCOCC2)c1C; N(C(=O)CN1C
    COCC1)c2cccc(c2C)C; Cc1cccc(c1C)NC(=O)CN
    2CCOCC2    		 N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
    31078
    NT8
    CHEMBL5288063
    ZINC000100166436    		 2 C10 H25 N O6 P2 InChI=1S/C10H25NO6P2/c1-2
    -3-4-5-6-7-8-9-10(11,18(1
    2,13)14)19(15,16)17/h2-9,
    11H2,1H3,(H2,12,13,14)(H2
    ,15,16,17);
    TWYYYYAFACTHMV-UHFFFAOYSA-N    		 CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O; CCCCC
    CCCCC(N)([P](O)(O)=O)[P](O)(O)=O    		 (1-azanyl-1-phosphono-decyl)phosphonic acid
    31079
    NT9
    ZINC000004200648    		 3 C12 H13 N S InChI=1S/C12H13NS/c1-13-9
    -10-4-6-11(7-5-10)12-3-2-
    8-14-12/h2-8,13H,9H2,1H3;
    DRDAOZOONYPMPX-UHFFFAOYSA-N    		 CNCc1ccc(cc1)c2cccs2; CNCc1ccc(cc1)c2scc
    c2    		 ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine
    31080
    NTA
    CHEMBL1234848
    DB03040
    ZINC000001849692    		 9 C6 H9 N O6 InChI=1S/C6H9NO6/c8-4(9)1
    -7(2-5(10)11)3-6(12)13/h1
    -3H2,(H,8,9)(H,10,11)(H,1
    2,13);
    MGFYIUFZLHCRTH-UHFFFAOYSA-N    		 C(C(=O)O)N(CC(=O)O)CC(=O)O; O=C(O)CN(CC(
    =O)O)CC(=O)O; OC(=O)CN(CC(O)=O)CC(O)=O    		 NITRILOTRIACETIC ACID
    31081
    NTB
    CHEMBL13782
    ZINC000004789979    		 0 C4 H11 N InChI=1S/C4H11N/c1-4(2,3)
    5/h5H2,1-3H3;
    YBRBMKDOPFTVDT-UHFFFAOYSA-N    		 NC(C)(C)C; CC(C)(C)N TERTIARY-BUTYLAMINE
    31082
    NTC    		 1 C5 H7 N O7 InChI=1S/C5H7NO7/c7-3(8)1
    -5(11,4(9)10)2-6(12)13/h1
    1H,1-2H2,(H,7,8)(H,9,10)/
    t5-/m1/s1;
    MTIGFRIXIPBOPZ-RXMQYKEDSA-N    		 OC(=O)C[C@@](O)(C[N+]([O-])=O)C(O)=O; C(
    C(=O)O)C(C[N+](=O)[O-])(C(=O)O)O; OC(=O)
    C[C](O)(C[N+]([O-])=O)C(O)=O; O=C(O)CC(O
    )(C(=O)O)C[N+](=O)[O-]; C(C(=O)O)[C@@](C
    [N+](=O)[O-])(C(=O)O)O    		 2-HYDROXY-2-NITROMETHYL SUCCINIC ACID
    31083
    NTD
    CHEMBL23996
    DB08307
    ZINC000013473744    		 13 C14 H10 F3 N O5 InChI=1S/C14H10F3NO5/c15-
    14(16,17)7-4-5-8(9(6-7)18
    (22)23)13(21)12-10(19)2-1
    -3-11(12)20/h4-6,21H,1-3H
    2;
    PMHVFNYNPNKNRO-UHFFFAOYSA-N    		 c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=
    O)CCCC2=O)O; O=C2C(=C(\O)c1ccc(cc1[N+]([
    O-])=O)C(F)(F)F)\C(=O)CCC2; OC(c1ccc(cc1
    [N+]([O-])=O)C(F)(F)F)=C2C(=O)CCCC2=O    		 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE
    31084
    NTE    		 4 C34 H31 Fe N5 O6 InChI=1S/C34H33N5O6.Fe/c1
    -6-21-17(2)27-15-30-24(11
    -12-39(44)45)20(5)26(36-3
    0)13-25-18(3)22(7-9-33(40
    )41)31(37-25)16-32-23(8-1
    0-34(42)43)19(4)28(38-32)
    14-29(21)35-27;/h6,11-16H
    ,1,7-10H2,2-5H3,(H4,35,36
    ,37,38,40,41,42,43);/q;+2
    /p-2/b12-11+,25-13-,26-13
    -,27-15-,28-14-,29-14-,30
    -15-,31-16-,32-16-;;
    MBEUICWDKPMPCN-RXJYIKGQSA-L    		 CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7
    n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8\C
    =C\[N+]([O-])=O)C)c(C)c7C=C; CC1=C(CCC(O
    )=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|
    6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C[N+]([O-])
    =O)C)c(C)c7C=C; Cc1c2n3c(c1CCC(=O)O)C=C4
    C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=
    C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C
    )CCC(=O)O; N45[Fe]26n1c8c(c(c1C=C3N2=C(C
    (=C3C)\C=C\[N+]([O-])=O)C=C4C(=C(C5=CC7=
    N6C(C(=C7C)CCC(=O)O)=C8)\C=C)C)C)CCC(O)=
    O; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[
    Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(
    C7=C2)C)C=C[N+](=O)[O-])C)CCC(=O)O    		 [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron;
    Nitriheme
    31085
    NTF
    CHEMBL1234850
    ZINC000013863726    		 1 C8 H12 F3 N O6 InChI=1S/C8H12F3NO6/c9-8(
    10,11)7(17)12-6-5(16)4(15
    )3(14)2(1-13)18-6/h2-6,13
    -16H,1H2,(H,12,17)/t2-,3-
    ,4+,5-,6-/m1/s1;
    XMUBEPVSEUVEBW-VFUOTHLCSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC
    (=O)C(F)(F)F)O)O)O)O; OC[C@H]1O[C@@H](NC
    (=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O;
    C(C1C(C(C(C(O1)NC(=O)C(F)(F)F)O)O)O)O; O
    C[CH]1O[CH](NC(=O)C(F)(F)F)[CH](O)[CH](O
    )[CH]1O; O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F
    )F    		 N-(trifluoroacetyl)-beta-D-glucopyranosylamine;
    N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE;
    N-(trifluoroacetyl)-beta-D-glucosylamine;
    N-(trifluoroacetyl)-D-glucosylamine;
    N-(trifluoroacetyl)-glucosylamine
    31086
    NTG
    CHEMBL4901185
    ZINC000097227385    		 6 C11 H13 N3 O InChI=1S/C11H13N3O/c12-8-
    10-2-3-11(9-13-10)14-4-1-
    6-15-7-5-14/h2-3,9H,1,4-7
    H2;
    QPJKHSFVBDONPD-UHFFFAOYSA-N    		 c1cc(ncc1N2CCCOCC2)C#N; N#Cc1ccc(cn1)N2C
    CCOCC2; N#Cc2ncc(N1CCCOCC1)cc2    		 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
    31087
    NTH
    DB08308
    ZINC000033821445    		 2 C22 H30 O5 InChI=1S/C22H30O5/c1-22-1
    1-10-16-15-5-3-14(23)12-1
    3(15)2-4-17(16)18(22)6-7-
    19(22)27-21(26)9-8-20(24)
    25/h12,15-19H,2-11H2,1H3,
    (H,24,25)/t15-,16+,17+,18
    -,19+,22-/m0/s1;
    IRQUJNVGEAJGSD-KIEDKLRZSA-N    		 O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3C(=CC(=
    O)CC3)CC4; C[C@]12CC[C@H]3[C@@H](CCC4=CC
    (=O)CC[C@H]34)[C@@H]1CC[C@H]2OC(=O)CCC(O
    )=O; C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]
    34)[CH]1CC[CH]2OC(=O)CCC(O)=O; CC12CCC3C
    (C1CCC2OC(=O)CCC(=O)O)CCC4=CC(=O)CCC34;
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=
    O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34    		 SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER
    31088
    NTI
    CHEMBL1401
    DB00507
    ZINC000003956788    		 1 C12 H9 N3 O5 S InChI=1S/C12H9N3O5S/c1-7(
    16)20-9-5-3-2-4-8(9)11(17
    )14-12-13-6-10(21-12)15(1
    8)19/h2-6H,1H3,(H,13,14,1
    7);
    YQNQNVDNTFHQSW-UHFFFAOYSA-N    		 CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O
    -]; CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([
    O-])=O; O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccc
    cc2OC(=O)C    		 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
    31089
    NTJ
    ZINC000038424911    		 10 C4 H12 N O2 P InChI=1S/C4H12NO2P/c1-4-7
    -8(6)5(2)3/h8H,4H2,1-3H3;
    VJBIKDDUGQICEU-UHFFFAOYSA-N    		 CCOP(=O)N(C)C; O=P(OCC)N(C)C; CCO[P@H](=
    O)N(C)C; CCO[PH](=O)N(C)C    		 R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
    31090
    NTK
    CHEMBL118722
    DB12709
    ZINC000003860906    		 3 C15 H26 O6 InChI=1S/C15H26O6/c1-4-7-
    13(16)19-10-12(21-15(18)9
    -6-3)11-20-14(17)8-5-2/h1
    2H,4-11H2,1-3H3;
    UYXTWWCETRIEDR-UHFFFAOYSA-N    		 CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC 2,3-di(butanoyloxy)propyl butanoate
    31091
    NTL    		 2 C23 H43 N5 O8 InChI=1S/C23H43N5O8/c1-5-
    27-15-8-13(25)18(35-21-14
    (28-11(2)29)7-6-12(9-24)3
    4-21)16(30)19(15)36-22-17
    (31)20(26-4)23(3,32)10-33
    -22/h6,13-22,26-27,30-32H
    ,5,7-10,24-25H2,1-4H3,(H,
    28,29)/t13-,14+,15+,16-,1
    7+,18+,19-,20-,21+,22+,23
    -/m0/s1;
    GQIIPKQUZXGMPH-PWAQZHRDSA-N    		 CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C
    @@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O
    )O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N; CC
    NC1C(C(C(C(C1)N)OC2C(CC=C(CN)O2)NC(C)=O)
    O)OC3OCC(C)(C(C3O)NC)O; CCNC1CC(C(C(C1OC
    2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N
    C(=O)C)N; CCN[CH]1C[CH](N)[CH](O[CH]2OC(
    =CC[CH]2NC(C)=O)CN)[CH](O)[CH]1O[CH]3OC[
    C](C)(O)[CH](NC)[CH]3O; CCN[C@@H]1C[C@H]
    (N)[C@@H](O[C@H]2OC(=CC[C@H]2NC(C)=O)CN)
    [C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@@H](
    NC)[C@H]3O    		 N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide;
    acetylated-netilmicin
    31092
    NTM
    CHEMBL286204
    DB01796
    ZINC000000331671    		 29 C7 H5 N O4 InChI=1S/C7H5NO4/c9-6(10)
    4-2-1-3-8-5(4)7(11)12/h1-
    3H,(H,9,10)(H,11,12);
    GJAWHXHKYYXBSV-UHFFFAOYSA-N    		 c1cc(c(nc1)C(=O)O)C(=O)O; OC(=O)c1cccnc1
    C(O)=O; O=C(O)c1ncccc1C(=O)O    		 QUINOLINIC ACID
    31093
    NTN
    ZINC000002389932    		 13 C6 H7 N3 InChI=1S/C6H7N3/c7-6(8)5-
    1-3-9-4-2-5/h1-4H,(H3,7,8
    );
    BIJRUEBMNUUNIJ-UHFFFAOYSA-N    		 NC(=N)c1ccncc1; c1cnccc1C(=N)N; [N@H]=C(
    N)c1ccncc1    		 ISONICOTINAMIDINE
    31094
    NTO    		 0 C31 H53 N3 O49 S8 InChI=1S/C31H53N3O49S8/c1
    -69-27-9(33-85(48,49)50)1
    3(37)17(6(74-27)3-71-88(5
    7,58)59)76-31-22(83-91(66
    ,67)68)16(40)21(24(81-31)
    26(43)44)79-29-10(34-86(5
    1,52)53)19(82-90(63,64)65
    )18(7(75-29)4-72-89(60,61
    )62)77-30-15(39)14(38)20(
    23(80-30)25(41)42)78-28-8
    (32-84(45,46)47)12(36)11(
    35)5(73-28)2-70-87(54,55)
    56/h5-24,27-40H,2-4H2,1H3
    ,(H,41,42)(H,43,44)(H,45,
    46,47)(H,48,49,50)(H,51,5
    2,53)(H,54,55,56)(H,57,58
    ,59)(H,60,61,62)(H,63,64,
    65)(H,66,67,68)/t5-,6-,7-
    ,8-,9-,10-,11-,12-,13-,14
    -,15-,16+,17-,18-,19-,20+
    ,21+,22-,23+,24-,27+,28-,
    29-,30-,31-/m1/s1;
    KANJSNBRCNMZMV-ABRZTLGGSA-N    		 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    S(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C
    @@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@
    H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([
    C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@
    H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)
    O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)
    O)O)OS(=O)(=O)O)O)NS(=O)(=O)O; CO[C@H]1O
    [C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]2O[C@
    H]([C@@H](O[C@H]3O[C@H](CO[S](O)(=O)=O)[
    C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@
    H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]
    5N[S](O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C
    @H](O[S](O)(=O)=O)[C@H]3N[S](O)(=O)=O)[C
    @H](O)[C@H]2O[S](O)(=O)=O)C(O)=O)[C@H](O
    )[C@H]1N[S](O)(=O)=O; COC1C(C(C(C(O1)COS
    (=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(
    C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)O
    C5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)
    O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=
    O)O)O)NS(=O)(=O)O; CO[CH]1O[CH](CO[S](O)
    (=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH]
    (CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[
    CH]5O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[
    CH]5N[S](O)(=O)=O)[CH](O)[CH]4O)C(O)=O)[
    CH](O[S](O)(=O)=O)[CH]3N[S](O)(=O)=O)[CH
    ](O)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O)[CH
    ]1N[S](O)(=O)=O; O=S(=O)(O)NC5C(O)C(O)C(
    OC5OC1C(O)C(O)C(OC1C(=O)O)OC4C(OC(OC3C(O
    )C(OS(=O)(=O)O)C(OC2C(O)C(NS(=O)(=O)O)C(
    OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(NS(=O)(=O
    )O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O
    )O    		 TRISULFOAMINO HEPARIN PENTASACCHARIDE;
    Fondaparinux
    31095
    NTP    		 0 C36 H60 O55 S9 InChI=1S/C36H60O55S9/c1-6
    8-13-10(7-74-92(41,42)43)
    78-34(26(16(13)69-2)88-97
    (56,57)58)82-19-17(70-3)2
    5(72-5)33(84-23(19)30(37)
    38)80-15-12(9-76-94(47,48
    )49)79-35(29(91-100(65,66
    )67)22(15)87-96(53,54)55)
    83-20-18(71-4)27(89-98(59
    ,60)61)36(85-24(20)31(39)
    40)81-14-11(8-75-93(44,45
    )46)77-32(73-6)28(90-99(6
    2,63)64)21(14)86-95(50,51
    )52/h10-29,32-36H,7-9H2,1
    -6H3,(H,37,38)(H,39,40)(H
    ,41,42,43)(H,44,45,46)(H,
    47,48,49)(H,50,51,52)(H,5
    3,54,55)(H,56,57,58)(H,59
    ,60,61)(H,62,63,64)(H,65,
    66,67)/t10-,11-,12-,13-,1
    4-,15-,16+,17+,18+,19+,20
    +,21+,22+,23+,24-,25-,26-
    ,27-,28-,29-,32+,33-,34-,
    35-,36-/m1/s1;
    MQLWHPBUPXUQHM-XAYBSJBFSA-N    		 CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[C
    @@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO[S](O
    )(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[
    C@H]5O[C@H](CO[S](O)(=O)=O)[C@@H](OC)[C@
    H](OC)[C@H]5O[S](O)(=O)=O)[C@H](OC)[C@H]
    4OC)C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]3O[S
    ](O)(=O)=O)[C@H](OC)[C@H]2O[S](O)(=O)=O)
    C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)
    (=O)=O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH]
    (O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(=
    O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](C
    O[S](O)(=O)=O)[CH](OC)[CH](OC)[CH]5O[S](
    O)(=O)=O)[CH](OC)[CH]4OC)C(O)=O)[CH](O[S
    ](O)(=O)=O)[CH]3O[S](O)(=O)=O)[CH](OC)[C
    H]2O[S](O)(=O)=O)C(O)=O)[CH](O[S](O)(=O)
    =O)[CH]1O[S](O)(=O)=O; O=S(=O)(OC5C(OC)C
    (OC)C(OC5OC1C(OC)C(OC)C(OC1C(=O)O)OC4C(O
    C(OC3C(OC)C(OS(=O)(=O)O)C(OC2C(OS(=O)(=O
    )O)C(OS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC
    3C(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS(
    =O)(=O)O)COS(=O)(=O)O)O; COC1C(OC(C(C1OC
    )OS(=O)(=O)O)OC2C(C(C(OC2C(=O)O)OC3C(OC(
    C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4
    C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O
    )O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O
    )(=O)O)OC)OC)COS(=O)(=O)O; CO[C@@H]1[C@H
    ](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[
    C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)
    O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O
    )(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([
    C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H
    ]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O
    C)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O
    )O)OC)OC)COS(=O)(=O)O    		 HEPARIN PENTASACCHARIDE
    31096
    NTQ
    CHEMBL4639973    		 2 C17 H20 F2 N4 O2 InChI=1S/C17H20F2N4O2/c1-
    8-14-11(6-13(24)21-15(14)
    23-22-8)9-2-4-10(5-3-9)20
    -16(25)12-7-17(12,18)19/h
    6,9-10,12H,2-5,7H2,1H3,(H
    ,20,25)(H2,21,22,23,24)/t
    9-,10-,12-/m0/s1;
    OWAGRTBSGRSEOG-NHCYSSNCSA-N    		 Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)
    [C@@H]4CC4(F)F; Cc1[nH]nc2NC(=O)C=C([C@@
    H]3CC[C@H](CC3)NC(=O)[C@@H]4CC4(F)F)c12;
    Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(
    =O)[CH]4CC4(F)F)c12; Cc1c2c(n[nH]1)NC(=O
    )C=C2C3CCC(CC3)NC(=O)C4CC4(F)F    		 (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
    31097
    NTR
    ZINC000002018403    		 0 C8 H9 N O4 InChI=1S/C8H9NO4/c9-7(8(1
    2)13)4-1-2-5(10)6(11)3-4/
    h1-3,7,10-11H,9H2,(H,12,1
    3)/t7-/m1/s1;
    ZBWTWPZGSGMRTG-SSDOTTSWSA-N    		 c1cc(c(cc1C(C(=O)O)N)O)O; c1cc(c(cc1[C@H
    ](C(=O)O)N)O)O; O=C(O)C(c1cc(O)c(O)cc1)N
    ; N[CH](C(O)=O)c1ccc(O)c(O)c1; N[C@@H](C
    (O)=O)c1ccc(O)c(O)c1    		 META-HYDROXY BETA NOR-TYROSINE
    31098
    NTS
    DB04409    		 1 C10 H5 O9 S3 InChI=1S/C10H8O9S3/c11-20
    (12,13)7-1-2-9-6(3-7)4-8(
    21(14,15)16)5-10(9)22(17,
    18)19/h1-5H,(H,11,12,13)(
    H,14,15,16)(H,17,18,19)/p
    -3;
    ZPBSAMLXSQCSOX-UHFFFAOYSA-K    		 [O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-]
    )(=O)=O)[S]([O-])(=O)=O; [O-]S(=O)(=O)c1
    cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=
    O)=O; c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O
    )(=O)[O-])S(=O)(=O)[O-]    		 NAPHTHALENE TRISULFONATE
    31099
    NTT
    ZINC000263620830    		 0 C12 H18 N3 O9 P InChI=1S/C12H18N3O9P/c1-6
    -3-15(11(18)13-9(6)17)10-
    7-8(16)12(23-10,4-14(2)24
    -7)5-22-25(19,20)21/h3,7-
    8,10,16H,4-5H2,1-2H3,(H,1
    3,17,18)(H2,19,20,21)/t7-
    ,8+,10-,12-/m1/s1;
    OFICQOIAWJEWLX-UJYYTQATSA-N    		 CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH
    ]2O)N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=
    O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)C
    OP(=O)(O)O)O; CC1=CN(C(=O)NC1=O)C2C3C(C(
    O2)(CN(O3)C)COP(=O)(O)O)O; CN1C[C@]2(CO[
    P](O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C=
    C(C)C(=O)NC3=O; O=C1C(=CN(C(=O)N1)C3OC2(
    C(O)C3ON(C)C2)COP(=O)(O)O)C    		 [(1R,5R,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
    31100
    NTU
    DB02979
    ZINC000012502908    		 2 C18 H38 N4 S2 InChI=1S/C18H38N4S2/c1-23
    -17(19)21-15-13-11-9-7-5-
    3-4-6-8-10-12-14-16-22-18
    (20)24-2/h3-16H2,1-2H3,(H
    2,19,21)(H2,20,22);
    IOKDMHHZKWLWKO-UHFFFAOYSA-N    		 CSC(=NCCCCCCCCCCCCCCN=C(N)SC)N; CSC(N)=N
    CCCCCCCCCCCCCCN=C(N)SC; N(=C(/SC)N)\CCCC
    CCCCCCCCCC/N=C(\SC)N; CS/C(=N\CCCCCCCCCC
    CCCCN=C(N)SC)/N    		 N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE
    31101
    NTV
    CHEMBL4998099
    ZINC000000804572    		 3 C12 H14 Cl N O2 InChI=1S/C12H14ClNO2/c1-8
    -9(13)4-2-5-10(8)14-12(15
    )11-6-3-7-16-11/h2,4-5,11
    H,3,6-7H2,1H3,(H,14,15)/t
    11-/m0/s1;
    BKWNJEPRFSSIFE-NSHDSACASA-N    		 N(C(=O)C1CCCO1)c2cccc(c2C)Cl; Cc1c(cccc1
    Cl)NC(=O)[C@@H]2CCCO2; Cc1c(Cl)cccc1NC(=
    O)[C@@H]2CCCO2; Cc1c(Cl)cccc1NC(=O)[CH]2
    CCCO2; Cc1c(cccc1Cl)NC(=O)C2CCCO2    		 (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
    31102
    NTW
    CHEMBL4645814    		 2 C15 H18 N4 O InChI=1S/C15H18N4O/c1-9-1
    4-12(8-13(20)17-15(14)19-
    18-9)11-4-2-10(3-5-11)6-7
    -16/h8,10-11H,2-6H2,1H3,(
    H2,17,18,19,20)/t10-,11-;
    ZPCWQNHNXIMUEY-XYPYZODXSA-N    		 Cc1n[nH]c2NC(=O)C=C([C@H]3CC[C@@H](CC3)C
    C#N)c12; Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(C
    C3)CC#N; Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH]
    (CC3)CC#N)c12    		 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
    31103
    NTX
    CHEMBL3289301    		 1 C29 H34 N6 O3 InChI=1S/C29H34N6O3/c30-2
    3-7-9-24(10-8-23)35-29(36
    )22-13-25(37-16-18-3-1-5-
    20(11-18)27(31)32)15-26(1
    4-22)38-17-19-4-2-6-21(12
    -19)28(33)34/h1-6,11-15,2
    3-24H,7-10,16-17,30H2,(H3
    ,31,32)(H3,33,34)(H,35,36
    )/t23-,24-;
    UKPKEJBTCDGYRU-RQNOJGIXSA-N    		 N[CH]1CC[CH](CC1)NC(=O)c2cc(OCc3cccc(c3)
    C(N)=N)cc(OCc4cccc(c4)C(N)=N)c2; c1cc(cc
    (c1)C(=N)N)COc2cc(cc(c2)OCc3cccc(c3)C(=N
    )N)C(=O)NC4CCC(CC4)N; [H]/N=C(\N)/c1cc(c
    cc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4c
    c(ccc4)/C(=N/[H])/N; O=C(NC1CCC(N)CC1)c4
    cc(OCc2cccc(C(=[N@H])N)c2)cc(OCc3cccc(C(
    =[N@H])N)c3)c4; N[C@H]1CC[C@@H](CC1)NC(=
    O)c2cc(OCc3cccc(c3)C(N)=N)cc(OCc4cccc(c4
    )C(N)=N)c2    		 N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide
    31104
    NTY    		 0 C8 H9 N O3 InChI=1/C8H9NO3/c9-7(8(11
    )12)5-1-3-6(10)4-2-5/h1-4
    ,7,10H,9H2,(H,11,12)/t7-/
    m1/s1/f/h11H;
    LJCWONGJFPCTTL-OVWMGBBEDO    		 N[CH](C(O)=O)c1ccc(O)cc1; O=C(O)C(N)c1cc
    c(O)cc1; c1cc(ccc1C(C(=O)O)N)O; c1cc(ccc
    1[C@H](C(=O)O)N)O; N[C@@H](C(O)=O)c1ccc(
    O)cc1    		 BETA NOR-TYROSINE
    31105
    NTZ
    DB02471
    ZINC000017193216    		 14 C6 H10 N4 O4 InChI=1S/C6H10N4O4/c11-1-
    2-3(12)4(13)5(14)6-7-8-9-
    10(2)6/h2-5,11-14H,1H2/t2
    -,3-,4+,5-/m1/s1;
    UCJXQRFJERKPOZ-SQOUGZDYSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O
    )O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O
    )c2nnnn12; n1nnn2c1C(O)C(O)C(O)C2CO; C(C
    1C(C(C(c2n1nnn2)O)O)O)O; OC[CH]1[CH](O)[
    CH](O)[CH](O)c2nnnn12    		 NOJIRIMYCINE TETRAZOLE
    31106
    NU0    		 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    13-3-1-2-11(6-13)7-16(21)
    20-15-10-19-8-12-4-5-18-9
    -14(12)15/h1-6,8-10H,7H2,
    (H,20,21);
    VQNYZMIKTVJRNS-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cncc3; Clc
    1cccc(CC(=O)Nc2cncc3ccncc23)c1; Clc1cccc
    (c1)CC(=O)Nc1cncc2ccncc21    		 2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide
    31107
    NU1
    CHEMBL123904
    DB02690
    ZINC000018145500    		 5 C9 H8 N2 O2 InChI=1S/C9H8N2O2/c1-5-10
    -8-6(9(13)11-5)3-2-4-7(8)
    12/h2-4,12H,1H3,(H,10,11,
    13);
    YJDAOHJWLUNFLX-UHFFFAOYSA-N    		 CC1=Nc2c(cccc2O)C(=O)N1; CC1=Nc2c(O)cccc
    2C(=O)N1; O=C1c2c(N=C(N1)C)c(O)ccc2    		 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE;
    NU1025
    31108
    NU2
    CHEMBL429736
    DB11818
    ZINC000006718496    		 1 C27 H34 N4 O5 InChI=1S/C27H34N4O5/c1-4-
    16(2)23-25(32)29-22(20-13
    -18-7-5-6-8-19(18)14-20)2
    6(33)31(23)24(21-15-36-17
    (3)28-21)27(34)30-9-11-35
    -12-10-30/h5-8,15-16,20,2
    2-24H,4,9-14H2,1-3H3,(H,2
    9,32)/t16-,22+,23+,24+/m0
    /s1;
    PLVGDGRBPMVYPB-FDUHJNRSSA-N    		 CCC(C)C1C(=O)NC(C(=O)N1C(c2coc(n2)C)C(=O
    )N3CCOCC3)C4Cc5ccccc5C4; CC[C@H](C)[C@H]
    1N([C@@H](C(=O)N2CCOCC2)c3coc(C)n3)C(=O)
    [C@H](NC1=O)C4Cc5ccccc5C4; CC[C@H](C)[C@
    @H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C
    )C(=O)N3CCOCC3)C4Cc5ccccc5C4; CC[CH](C)[
    CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O
    )[CH](NC1=O)C4Cc5ccccc5C4    		 (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
    31109
    NU3
    CHEMBL131719
    ZINC000000026019    		 1 C14 H11 N3 O2 InChI=1S/C14H11N3O2/c15-1
    3(19)10-2-1-3-11-12(10)17
    -14(16-11)8-4-6-9(18)7-5-
    8/h1-7,18H,(H2,15,19)(H,1
    6,17);
    KOUGHMOSYJCJLE-UHFFFAOYSA-N    		 c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N;
    O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N; NC(=O
    )c1cccc2[nH]c(nc12)c3ccc(O)cc3    		 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
    31110
    NU4
    ZINC000001516906    		 11 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c1-8-
    10(4-7-15-8)11(14)13-9-2-
    5-12-6-3-9/h2-7H,1H3,(H,1
    2,13,14);
    YQBDLYFUZJNLDH-UHFFFAOYSA-N    		 Cc1occc1C(=O)Nc2ccncc2; N(c1ccncc1)C(c2c
    coc2C)=O; Cc1c(cco1)C(=O)Nc2ccncc2    		 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
    31111
    NU5
    DB08309
    ZINC000016052683    		 2 C23 H32 N6 O4 S InChI=1S/C23H32N6O4S/c30-
    13-4-11-24-12-14-34(31,32
    )19-9-7-18(8-10-19)27-23-
    28-21-20(25-16-26-21)22(2
    9-23)33-15-17-5-2-1-3-6-1
    7/h7-10,16-17,24,30H,1-6,
    11-15H2,(H2,25,26,27,28,2
    9);
    AMFGILNPFBVREA-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4
    CCCCC4)CCNCCCO; c1cc(ccc1Nc2nc3c(c(n2)OC
    C4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO; OCCCN
    CC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4C
    CCCC4)n2)cc1    		 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
    31112
    NU6
    CHEMBL4742985
    ZINC000584905644    		 1 C19 H22 N6 O2 InChI=1S/C19H22N6O2/c20-1
    6(26)13-7-4-8-14(9-13)23-
    19-24-17-15(21-11-22-17)1
    8(25-19)27-10-12-5-2-1-3-
    6-12/h4,7-9,11-12H,1-3,5-
    6,10H2,(H2,20,26)(H2,21,2
    2,23,24,25);
    XAOVCENYRWWHPR-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH
    ]3)C(=O)N; NC(=O)c1cccc(Nc2nc3[nH]cnc3c(
    OCC4CCCCC4)n2)c1    		 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide
    31113
    NU7
    CHEMBL4525406
    ZINC000098209245    		 3 C26 H24 F3 N5 O2 S InChI=1S/C26H24F3N5O2S/c1
    -34-12-10-25(11-13-34,24-
    31-20(15-37-24)17-6-3-2-4
    -7-17)16-30-22(35)19-9-5-
    8-18(14-19)21-32-23(36-33
    -21)26(27,28)29/h2-9,14-1
    5H,10-13,16H2,1H3,(H,30,3
    5);
    BQFISAUAZNJOEG-UHFFFAOYSA-N    		 CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3noc(n3)C(
    F)(F)F)c4scc(n4)c5ccccc5; FC(F)(F)c1nc(n
    o1)c2cccc(c2)C(=O)NCC5(c3nc(cs3)c4ccccc4
    )CCN(C)CC5; CN1CCC(CC1)(CNC(=O)c2cccc(c2
    )c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5    		 N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
    31114
    NU8
    CHEMBL3740099
    ZINC000141996744    		 1 C20 H15 F3 N4 O5 S InChI=1S/C20H15F3N4O5S/c1
    -31-16-8-12(9-25-19(16)32
    -2)27-20(28)26(10-13-14(2
    2)6-11(21)7-15(13)23)18-1
    7(33(27,29)30)4-3-5-24-18
    /h3-9H,10H2,1-2H3;
    SUQZCEUKWPKXEE-UHFFFAOYSA-N    		 COc1cc(cnc1OC)N2C(=O)N(Cc3c(F)cc(F)cc3F)
    c4ncccc4[S]2(=O)=O; COc1cc(cnc1OC)N2C(=O
    )N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F    		 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
    31115
    NU9
    CHEMBL3110004
    ZINC000095828732    		 1 C25 H21 F3 N4 O3 S InChI=1S/C25H21F3N4O3S/c2
    6-25(27,28)22-31-20(32-35
    -22)17-7-4-8-18(13-17)21(
    33)29-15-24(9-11-34-12-10
    -24)23-30-19(14-36-23)16-
    5-2-1-3-6-16/h1-8,13-14H,
    9-12,15H2,(H,29,33);
    HORXBWNTEDOVKN-UHFFFAOYSA-N    		 FC(F)(F)c1nc(no1)c2cccc(c2)C(=O)NCC5(c3n
    c(cs3)c4ccccc4)CCOCC5; FC(F)(F)c1onc(n1)
    c2cccc(c2)C(=O)NCC3(CCOCC3)c4scc(n4)c5cc
    ccc5; c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=
    O)c4cccc(c4)c5nc(on5)C(F)(F)F    		 N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
    31116
    NUA
    ZINC000058393661    		 9 C10 H15 N3 O InChI=1S/C10H15N3O/c1-2-1
    3-7-9(6-11-13)12-10(14)8-
    4-3-5-8/h6-8H,2-5H2,1H3,(
    H,12,14);
    UVTFDTBDFQZRHD-UHFFFAOYSA-N    		 CCn1cc(cn1)NC(=O)C2CCC2; n1(CC)ncc(c1)NC
    (=O)C2CCC2; CCn1cc(NC(=O)C2CCC2)cn1    		 N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
    31117
    NUB
    CHEMBL4456922    		 2 C20 H23 N3 O2 InChI=1S/C20H23N3O2/c1-14
    -11-16(13-22(2)20(14)24)1
    9-21-17-5-3-4-6-18(17)23(
    19)12-15-7-9-25-10-8-15/h
    3-6,11,13,15H,7-10,12H2,1
    -2H3;
    IWELMDBRVJWCNU-UHFFFAOYSA-N    		 CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4
    ; CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOC
    C4    		 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one;
    1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
    31118
    NUC    		 8 C23 H24 N4 O3 InChI=1S/C23H24N4O3/c1-14
    -17-5-3-4-6-19(17)30-20(1
    4)13-27(2)21(28)10-7-15-1
    1-16-8-9-18(24)23(29)26-2
    2(16)25-12-15/h3-7,10-12,
    18H,8-9,13,24H2,1-2H3,(H,
    25,26,29)/b10-7+/t18-/m0/
    s1;
    ZWQNEFFHBSGFHV-HKMNZKMDSA-N    		 NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2
    ccccc2c1C; CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3
    cnc4NC(=O)[CH](N)CCc4c3; Cc1c2ccccc2oc1C
    N(C)C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N; CN
    (Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4NC(=O)[
    C@@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C)C(=O)
    /C=C/c3cc4c(nc3)NC(=O)[C@H](CC4)N    		 (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
    31119
    NUD
    CHEMBL3086883
    ZINC000097758762    		 1 C18 H17 N5 O3 S InChI=1S/C18H17N5O3S/c1-1
    2-10-16(15(19)11-17(12)24
    )22-21-13-5-7-14(8-6-13)2
    7(25,26)23-18-4-2-3-9-20-
    18/h2-11,24H,19H2,1H3,(H,
    20,23)/b22-21+;
    DZTGIRNXWSZBIM-QURGRASLSA-N    		 Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)N
    c3ccccn3; Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)
    Nc3ccccn3)c(N)cc1O; Cc1cc(c(cc1O)N)N=Nc2
    ccc(cc2)S(=O)(=O)Nc3ccccn3; O=S(=O)(Nc1n
    cccc1)c3ccc(/N=N/c2cc(c(O)cc2N)C)cc3    		 4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
    31120
    NUE
    CHEMBL3086884
    ZINC000098209246    		 1 C19 H19 N5 O3 S InChI=1S/C19H19N5O3S/c1-1
    2-11-16(18(20)13(2)19(12)
    25)23-22-14-6-8-15(9-7-14
    )28(26,27)24-17-5-3-4-10-
    21-17/h3-11,25H,20H2,1-2H
    3,(H,21,24)/b23-22+;
    PJXWUXARDBIOKJ-GHVJWSGMSA-N    		 O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(
    c2N)C)C)cc3; Cc1cc(c(c(c1O)C)N)N=Nc2ccc(
    cc2)S(=O)(=O)Nc3ccccn3; Cc1cc(c(c(c1O)C)
    N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3; Cc1
    cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N
    )c(C)c1O    		 4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
    31121
    NUF    		 0 C34 H38 F2 N4 Ni O4 InChI=1S/C34H40F2N4O4.Ni/
    c35-29-21-31(37-23-25-7-9
    -27(19-33(25)41)43-17-15-
    39-11-3-1-4-12-39)32(22-3
    0(29)36)38-24-26-8-10-28(
    20-34(26)42)44-18-16-40-1
    3-5-2-6-14-40;/h7-10,19-2
    4,41-42H,1-6,11-18H2;/q;+
    2/p-2/b37-23+,38-24+;;
    KYJUZDGNLQRIDM-OHUAMDITSA-L    		 Fc8cc3c(N5=Cc7c(O[Ni]54Oc2cc(OCCN1CCCCC1
    )ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F; Fc1c
    c2N|3=Cc4ccc(OCCN5CCCCC5)cc4O[Ni]|6|3Oc7
    cc(OCCN8CCCCC8)ccc7C=N|6c2cc1F; c1cc2c(c
    c1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[
    N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F    		 [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II);
    N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Nickel (II)
    31122
    NUG    		 4 C10 H17 N O S InChI=1S/C10H17NOS/c12-10
    -1-4-11(5-2-10)7-9-3-6-13
    -8-9/h3,10,12H,1-2,4-8H2;
    PFVAURGZHWBFTG-UHFFFAOYSA-N    		 N2(CC1=CCSC1)CCC(CC2)O; C1CN(CCC1O)CC2=C
    CSC2; OC1CCN(CC1)CC2=CCSC2    		 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
    31123
    NUH
    CHEMBL4452292    		 3 C13 H13 N O2 InChI=1S/C13H13NO2/c1-14-
    9-11(6-7-13(14)15)10-4-3-
    5-12(8-10)16-2/h3-9H,1-2H
    3;
    WBOQDJCUHPQCRG-UHFFFAOYSA-N    		 CN1C=C(C=CC1=O)c2cccc(c2)OC; COc1cccc(c1
    )C2=CN(C)C(=O)C=C2    		 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one;
    5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
    31124
    NUI    		 4 C40 H52 Fe4 N8 O6 S10 InChI=1S/2C20H28N4O3S3.4F
    e.4S/c2*25-17(4-2-1-3-16-
    19-15(11-30-16)23-20(27)2
    4-19)21-8-18(26)22-14-6-1
    2(9-28)5-13(7-14)10-29;;;
    ;;;;;/h2*5-7,15-16,19,28-
    29H,1-4,8-11H2,(H,21,25)(
    H,22,26)(H2,23,24,27);;;;
    ;;;;/q;;2*+1;2*+2;4*-1/p-
    4/t2*15-,16-,19-;;;;;;;;/
    m00......../s1;
    BUAXODRGONQWCA-XTALMZNNSA-J    		 c1c2cc(cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+]
    78[S-]6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)C
    NC(=O)CCCCC1C3C(CS1)NC(=O)N3)CS8)SC2)NC(
    =O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2; O=C(CC
    CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCC(=O)
    Nc3cc4CS[Fe@]56[S-]7[Fe@]89SCc%10cc(CS[F
    e@@+]%11([S-]58)[S-]6[Fe@@+]7(SCc(c4)c3)
    [S-]9%11)cc(NC(=O)CNC(=O)CCCC[C@@H]%12SC
    [C@@H]%13NC(=O)N[C@H]%12%13)c%10; c1c2cc
    (cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+]78[S-]
    6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)CNC(=O)
    CCCC[C@H]1[C@@H]3[C@H](CS1)NC(=O)N3)CS8)
    SC2)NC(=O)CNC(=O)CCCC[C@H]1[C@@H]2[C@H](
    CS1)NC(=O)N2; O=C(CCCC[CH]1SC[CH]2NC(=O)
    N[CH]12)NCC(=O)Nc3cc4CS[Fe]56[S-]7[Fe]89
    SCc%10cc(CS[Fe+]%11([S-]58)[S-]6[Fe+]7(S
    Cc(c4)c3)[S-]9%11)cc(NC(=O)CNC(=O)CCCC[C
    H]%12SC[CH]%13NC(=O)N[CH]%12%13)c%10    		 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide
    31125
    NUJ    		 4 C11 H17 N3 O InChI=1S/C11H17N3O/c1-7-4
    -11(13-8(2)12-7)14(3)9-5-
    10(15)6-9/h4,9-10,15H,5-6
    H2,1-3H3/t9-,10-;
    SEZOHQAJJCEOMQ-MGCOHNPYSA-N    		 CN([CH]1C[CH](O)C1)c2cc(C)nc(C)n2; Cc1cc
    (nc(n1)C)N(C)C2CC(C2)O; N(c1nc(C)nc(c1)C
    )(C)C2CC(C2)O; CN([C@@H]1C[C@@H](O)C1)c2
    cc(C)nc(C)n2    		 trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
    31126
    NUK
    CHEMBL1173787
    ZINC000000107891    		 3 C7 H4 O2 S2 InChI=1S/C7H4O2S2/c8-7(9)
    6-3-5-4(11-6)1-2-10-5/h1-
    3H,(H,8,9);
    GVZXSZWCZGKLRS-UHFFFAOYSA-N    		 c1csc2c1sc(c2)C(=O)O; OC(=O)c1sc2ccsc2c1 thieno[3,2-b]thiophene-5-carboxylic acid
    31127
    NUL    		 1 C20 H25 N O4 InChI=1S/C20H25NO4/c1-11-
    6-5-7-12-10-13(19(25-4)21
    -16(11)12)17(23)15-14(22)
    8-9-20(2,3)18(15)24/h5-10
    ,14-15,17-18,22-24H,1-4H3
    /t14-,15+,17-,18+/m1/s1;
    AYRKTHYXDWJLTM-ATLSCFEFSA-N    		 Cc1cccc2c1nc(c(c2)C(C3C(C=CC(C3O)(C)C)O)
    O)OC; COc1nc2c(C)cccc2cc1[C@@H](O)[C@@H]
    3[C@H](O)C=CC(C)(C)[C@H]3O; Cc1cccc2c1nc
    (c(c2)[C@H]([C@@H]3[C@@H](C=CC([C@H]3O)(
    C)C)O)O)OC; COc1nc2c(C)cccc2cc1[CH](O)[C
    H]3[CH](O)C=CC(C)(C)[CH]3O    		 (1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol
    31128
    NUM
    ZINC000001016488    		 7 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c17-1
    2-6-4-11(5-7-12)8-10-16-1
    4(18)13-3-1-2-9-15-13/h1-
    7,9,17H,8,10H2,(H,16,18);
    YXENGKAXLJYJOP-UHFFFAOYSA-N    		 N(C(c1ccccn1)=O)CCc2ccc(cc2)O; Oc1ccc(CC
    NC(=O)c2ccccn2)cc1; c1ccnc(c1)C(=O)NCCc2
    ccc(cc2)O    		 N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
    31129
    NUN    		 6 C18 H18 N2 O S InChI=1S/C18H18N2OS/c1-18
    (2,3)15(21)11-22-17-19-10
    -13-9-8-12-6-4-5-7-14(12)
    16(13)20-17/h4-10H,11H2,1
    -3H3;
    VMPYQZVECCZOSV-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1; CC(
    C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1    		 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
    31130
    NUO    		 1 C19 H26 Cl N3 O2 InChI=1S/C19H26ClN3O2/c20
    -13-17(24)21-14-15-7-11-2
    3(12-8-15)18(25)19(9-4-10
    -19)22-16-5-2-1-3-6-16/h1
    -3,5-6,15,22H,4,7-14H2,(H
    ,21,24);
    FTHNPKJZIJMFGT-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3cccc
    c3; c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CN
    C(=O)CCl    		 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
    31131
    NUP
    CHEMBL514137
    ZINC000014975890    		 19 C9 H14 N3 O9 P InChI=1S/C9H14N3O9P/c10-4
    -1-5(13)11-9(16)12(4)8-7(
    15)6(14)3(21-8)2-20-22(17
    ,18)19/h1,3,6-8,14-15H,2,
    10H2,(H,11,13,16)(H2,17,1
    8,19)/t3-,6-,7-,8-/m1/s1;
    DUFXRFNPGXQQOI-YXZULKJRSA-N    		 C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)O)N; NC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](
    CO[P](O)(O)=O)[C@@H](O)[C@H]2O; O=C1NC(=
    O)N(C(N)=C1)C2OC(C(O)C2O)COP(=O)(O)O; C1
    =C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H
    ](O2)COP(=O)(O)O)O)O)N; NC1=CC(=O)NC(=O)
    N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O    		 6-AMINOURIDINE 5'-MONOPHOSPHATE
    31132
    NUQ
    CHEMBL4450089    		 4 C15 H12 F N3 O InChI=1S/C15H12FN3O/c1-19
    -8-11(4-7-13(19)20)15-14(
    17-9-18-15)10-2-5-12(16)6
    -3-10/h2-9H,1H3,(H,17,18);
    QXLXUFQMLZRGPI-UHFFFAOYSA-N    		 CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F;
    CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3    		 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
    31133
    NUR    		 1 C18 H15 Cl N2 O InChI=1S/C18H15ClN2O/c1-2
    1(18(22)10-13-5-4-7-15(19
    )9-13)17-12-20-11-14-6-2-
    3-8-16(14)17/h2-9,11-12H,
    10H2,1H3;
    XFUDGCDECOIROA-UHFFFAOYSA-N    		 CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl; Cl
    c1cccc(c1)CC(=O)N(C)c1cncc2ccccc21; CN(C
    (=O)Cc1cccc(Cl)c1)c2cncc3ccccc23    		 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
    31134
    NUT
    CHEMBL191334
    DB17039
    ZINC000016051336    		 15 C30 H30 Cl2 N4 O4 InChI=1S/C30H30Cl2N4O4/c1
    -18(2)40-25-16-23(39-3)12
    -13-24(25)29-34-27(19-4-8
    -21(31)9-5-19)28(20-6-10-
    22(32)11-7-20)36(29)30(38
    )35-15-14-33-26(37)17-35/
    h4-13,16,18,27-28H,14-15,
    17H2,1-3H3,(H,33,37)/t27-
    ,28+/m0/s1;
    BDUHCSBCVGXTJM-WUFINQPMSA-N    		 COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O
    )N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5;
    O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2
    ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5; CC(C)O
    c1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4c
    cc(cc4)Cl)c5ccc(cc5)Cl)OC; COc1ccc(c(OC(
    C)C)c1)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)
    C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5; CC(C)Oc1cc
    (ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3
    )c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC    		 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one;
    Nutlin 3a
    31135
    NUU    		 1 C17 H19 N3 O S InChI=1S/C17H19N3OS/c1-17
    (2,3)14(21)10-22-16-19-9-
    11-6-7-13-12(15(11)20-16)
    5-4-8-18-13/h4-5,8-9H,6-7
    ,10H2,1-3H3;
    DIKYWZUDUGEQDD-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2CCc3ncccc3c2n1; CC(
    C)(C)C(=O)CSc1ncc2c(n1)-c3cccnc3CC2; CC(
    C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1    		 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
    31136
    NUW
    CHEMBL4593025    		 1 C25 H30 N4 O3 InChI=1S/C25H30N4O3/c1-15
    -11-20(12-16(2)23(15)31)2
    4-27-21-13-19(25(32)26-4)
    5-6-22(21)29(24)14-18-7-9
    -28(10-8-18)17(3)30/h5-6,
    11-13,18,31H,7-10,14H2,1-
    4H3,(H,26,32);
    XUCCKWZFCMIDPS-UHFFFAOYSA-N    		 CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1
    )c4cc(C)c(O)c(C)c4; Cc1cc(cc(c1O)C)c2nc3
    cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC    		 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide;
    1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
    31137
    NUX    		 1 C24 H26 Cl2 F2 N2 O3 S InChI=1S/C24H26Cl2F2N2O3S
    /c1-4-24(27,28)22(31)14-3
    4(33)21-9-8-17(12-20(21)2
    6)23(32)30-11-10-29(15(2)
    16(30)3)19-7-5-6-18(25)13
    -19/h5-9,12-13,15-16H,4,1
    0-11,14H2,1-3H3/t15-,16-,
    34+/m0/s1;
    WYHRZGBTLDYJGW-GLVLYPABSA-N    		 CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N
    2CCN([CH](C)[CH]2C)c3cccc(Cl)c3; CCC(C(=
    O)CS(=O)c1ccc(cc1Cl)C(=O)N2CCN(C(C2C)C)c
    3cccc(c3)Cl)(F)F; CCC(F)(F)C(=O)C[S@@](=
    O)c1ccc(cc1Cl)C(=O)N2CCN([C@@H](C)[C@@H]
    2C)c3cccc(Cl)c3; CCC(C(=O)C[S@@](=O)c1cc
    c(cc1Cl)C(=O)N2CCN([C@H]([C@@H]2C)C)c3cc
    cc(c3)Cl)(F)F    		 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one;
    1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one
    31138
    NUY
    ZINC000055250732    		 8 C12 H18 N2 O S InChI=1S/C12H18N2OS/c1-10
    (2)13-5-7-14(8-6-13)12(15
    )11-4-3-9-16-11/h3-4,9-10
    H,5-8H2,1-2H3;
    ZEVVAPJSMUTCRY-UHFFFAOYSA-N    		 CC(C)N1CCN(CC1)C(=O)c2cccs2; CC(C)N1CCN(
    CC1)C(=O)c2sccc2; N1(C(C)C)CCN(CC1)C(c2c
    ccs2)=O    		 [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
    31139
    NUZ
    CHEMBL2032324
    ZINC000008781115    		 3 C21 H19 Cl N4 O4 InChI=1S/C21H19ClN4O4/c1-
    14-19(20(23-30-14)15-5-3-
    2-4-6-15)21(27)25-11-9-24
    (10-12-25)18-8-7-16(26(28
    )29)13-17(18)22/h2-8,13H,
    9-12H2,1H3;
    OWXBJAPOSQSWAO-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c
    (onc3c2ccccc2)C)CC4; Cc1onc(c2ccccc2)c1C
    (=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O;
    Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc
    (cc4Cl)[N+](=O)[O-]    		 [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone;
    nucleozin
    31140
    NV0    		 1 C20 H22 N2 O5 InChI=1S/C20H22N2O5/c1-4-
    10-22-19(26)16-11(2)12(8-
    9-13(16)21(3)20(22)27)18(
    25)17-14(23)6-5-7-15(17)2
    4/h8-9,23H,4-7,10H2,1-3H3;
    GZGGFOQLRZHBAA-UHFFFAOYSA-N    		 CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C
    (O)CCCC3=O; CCCN1C(=O)c2c(c(ccc2N(C1=O)C
    )C(=O)C3=C(CCCC3=O)O)C    		 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione
    31141
    NV1
    CHEMBL3302647
    ZINC000082288978    		 1 C13 H20 N2 O InChI=1S/C13H20N2O/c1-9(2
    )15(12(16)8-14)13-10(3)6-
    5-7-11(13)4/h5-7,9H,8,14H
    2,1-4H3;
    XTROKJGKHGPNON-UHFFFAOYSA-N    		 Cc1cccc(c1N(C(C)C)C(=O)CN)C; CC(C)N(C(=O
    )CN)c1c(C)cccc1C    		 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide
    31142
    NV2
    CHEMBL4438171    		 2 C23 H30 N4 O4 InChI=1S/C23H30N4O4/c1-16
    -11-17(13-25(2)23(16)28)2
    2-24-20-12-18(26-7-9-31-1
    0-8-26)5-6-21(20)27(22)19
    (14-29-3)15-30-4/h5-6,11-
    13,19H,7-10,14-15H2,1-4H3;
    DDSHVVXWYKDTTQ-UHFFFAOYSA-N    		 CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)CO
    C)N4CCOCC4; COCC(COC)n1c2ccc(cc2nc1C3=CN
    (C)C(=O)C(=C3)C)N4CCOCC4    		 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one;
    5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
    31143
    NV3    		 6 C18 H17 Cl N2 O S InChI=1S/C18H17ClN2OS/c1-
    18(2,3)15(22)10-23-17-20-
    9-12-5-4-11-6-7-13(19)8-1
    4(11)16(12)21-17/h4-9H,10
    H2,1-3H3;
    IRDAWQNLMFUAHZ-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2ccc3ccc(cc3c2n1)Cl;
    CC(C)(C)C(=O)CSc1ncc2ccc3ccc(Cl)cc3c2n1
    ; CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn
    1    		 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
    31144
    NV4    		 4 C24 H23 N3 O7 S InChI=1S/C24H23N3O7S/c1-2
    9-17-4-11(5-18(30-2)21(17
    )31-3)19-12-6-15-16(34-10
    -33-15)7-13(12)22(35-24-2
    5-9-26-27-24)14-8-32-23(2
    8)20(14)19/h4-7,9,14,19-2
    0,22H,8,10H2,1-3H3,(H,25,
    26,27)/t14-,19-,20+,22+/m
    1/s1;
    WBKYKDGMCNMECE-QXHRYPSCSA-N    		 COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O
    )OC5)Sc6[nH]cnn6)OCO4; c25c(C(C1C(COC1=O
    )C2Sc3ncnn3)c4cc(c(c(c4)OC)OC)OC)cc6c(c5
    )OCO6; COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(c
    c3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cn
    n6)OCO4; COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH
    ](COC3=O)[CH](Sc4[nH]cnn4)c5cc6OCOc6cc25
    ; COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@@H](
    COC3=O)[C@@H](Sc4[nH]cnn4)c5cc6OCOc6cc25    		 (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
    31145
    NV5    		 1 C23 H18 N6 O2 S InChI=1S/C23H18N6O2S/c1-2
    9-18-7-3-2-6-17(18)21-22(
    29)26-23(28-27-21)32-14-1
    9(30)25-15-9-11-16(12-10-
    15)31-20-8-4-5-13-24-20/h
    2-13H,14H2,1H3,(H,25,30);
    ZQQZWZKGMACADA-UHFFFAOYSA-N    		 Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)
    Oc5ccccn5; Cn1c2ccccc2c3nnc(SCC(=O)Nc4cc
    c(Oc5ccccn5)cc4)nc13    		 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide
    31146
    NV6
    ZINC000000409842    		 4 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c11-1
    0(16)12-8(9(14)15)5-6-1-3
    -7(13)4-2-6/h1-4,8,13H,5H
    2,(H,14,15)(H3,11,12,16)/
    t8-/m0/s1;
    PNLKYZVGQWCHBH-QMMMGPOBSA-N    		 NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O; c1cc(cc
    c1C[C@@H](C(=O)O)NC(=O)N)O; NC(=O)N[C@@H
    ](Cc1ccc(O)cc1)C(O)=O; c1cc(ccc1CC(C(=O)
    O)NC(=O)N)O    		 (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
    31147
    NV7
    ZINC000019787430    		 4 C10 H16 N2 O3 S InChI=1S/C10H16N2O3S/c1-1
    6(13,14)12-6-4-11(5-7-12)
    9-10-3-2-8-15-10/h2-3,8H,
    4-7,9H2,1H3;
    GATWUHAFAYSJAM-UHFFFAOYSA-N    		 CS(=O)(=O)N1CCN(CC1)Cc2ccco2; N2(CCN(Cc1
    occc1)CC2)S(C)(=O)=O; C[S](=O)(=O)N1CCN(
    CC1)Cc2occc2    		 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
    31148
    NV8
    CHEMBL4590386    		 2 C21 H23 N3 O3 S InChI=1S/C21H23N3O3S/c25-
    28(26,17-7-2-1-3-8-17)24-
    14-6-11-21(24)12-15-23(16
    -13-21)20-22-18-9-4-5-10-
    19(18)27-20/h1-5,7-10H,6,
    11-16H2;
    KIKWLYIDCILHAP-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5
    ccccc5o4; O=[S](=O)(N1CCCC12CCN(CC2)c3oc
    4ccccc4n3)c5ccccc5    		 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
    31149
    NV9    		 1 C19 H15 Cl N2 O InChI=1S/C19H15ClN2O/c20-
    16-8-4-5-14(11-16)12-19(2
    3)22-18-13-21-10-9-17(18)
    15-6-2-1-3-7-15/h1-11,13H
    ,12H2,(H,22,23);
    VSOZJTYJJHNDPD-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl; O
    =C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1; Clc1
    cccc(CC(=O)Nc2cnccc2c3ccccc3)c1    		 2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
    31150
    NVA
    CHEMBL55612
    DB04185
    ZINC000000391821    		 21 C5 H11 N O2 InChI=1S/C5H11NO2/c1-2-3-
    4(6)5(7)8/h4H,2-3,6H2,1H3
    ,(H,7,8)/t4-/m0/s1;
    SNDPXSYFESPGGJ-BYPYZUCNSA-N    		 CCC[CH](N)C(O)=O; CCC[C@H](N)C(O)=O; CCC
    [C@@H](C(=O)O)N; O=C(O)C(N)CCC; CCCC(C(=
    O)O)N    		 NORVALINE
    31151
    NVB
    CHEMBL1093749
    ZINC000044460276    		 2 C24 H23 N3 O5 S InChI=1S/C24H23N3O5S/c1-2
    5-33(28,29)17-10-8-15(9-1
    1-17)18-6-5-7-19-23(18)27
    -20(14-26-19)16-12-21(30-
    2)24(32-4)22(13-16)31-3/h
    5-14,25H,1-4H3;
    LYSCAOWDVVWGQK-UHFFFAOYSA-N    		 CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4c
    c(c(c(c4)OC)OC)OC; CN[S](=O)(=O)c1ccc(cc
    1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4    		 N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
    31152
    NVC
    CHEMBL506649
    DB08310
    ZINC000040980708    		 3 C19 H25 N3 O4 InChI=1S/C19H25N3O4/c1-2-
    3-7-14(12-21(25)13-23)19(
    24)22-11-6-9-16(22)18-20-
    15-8-4-5-10-17(15)26-18/h
    4-5,8,10,13-14,16,25H,2-3
    ,6-7,9,11-12H2,1H3/t14-,1
    6+/m1/s1;
    QDDZLTVSNABZIK-ZBFHGGJFSA-N    		 CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c2oc3
    ccccc3n2; CCCC[CH](CN(O)C=O)C(=O)N1CCC[C
    H]1c2oc3ccccc3n2; O=CN(O)CC(C(=O)N3CCCC3
    c1nc2ccccc2o1)CCCC; CCCC[C@H](CN(C=O)O)C
    (=O)N1CCC[C@H]1c2nc3ccccc3o2; CCCCC(CN(C
    =O)O)C(=O)N1CCCC1c2nc3ccccc3o2    		 N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
    31153
    NVD
    CHEMBL1562665
    ZINC000000468583    		 6 C11 H15 N5 InChI=1S/C11H15N5/c1-15(2
    )11-5-3-10(4-6-11)7-14-16
    -8-12-13-9-16/h3-6,8-9,14
    H,7H2,1-2H3;
    ZPORTAACPUBAHX-UHFFFAOYSA-N    		 N(C)(C)c2ccc(CNn1cnnc1)cc2; CN(C)c1ccc(C
    Nn2cnnc2)cc1; CN(C)c1ccc(cc1)CNn2cnnc2    		 N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
    31154
    NVE
    CHEMBL2335856
    ZINC000095590437    		 1 C27 H33 N4 O5 P InChI=1S/C27H33N4O5P/c1-5
    -31-25-23(27(32)30(4)24-9
    -8-16-28-26(24)31)17-21(1
    8-29-25)11-10-20-12-14-22
    (15-13-20)34-19-37(33,35-
    6-2)36-7-3/h8-9,12-18H,5-
    7,10-11,19H2,1-4H3;
    YVBXNGRTCURFDW-UHFFFAOYSA-N    		 CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4
    N(C)C(=O)c3c2)cc1)OCC; O=P(OCC)(OCC)COc1
    ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)
    CC; CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4
    ccc(cc4)OCP(=O)(OCC)OCC)C    		 diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate;
    nevirapine phosphonate analogue
    31155
    NVF    		 6 C16 H18 N2 O S2 InChI=1S/C16H18N2OS2/c1-1
    6(2,3)13(19)9-21-15-17-8-
    10-4-5-12-11(6-7-20-12)14
    (10)18-15/h6-8H,4-5,9H2,1
    -3H3;
    YAJIYFCAESQMRI-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2c(n1)-c3ccsc3CC2; C
    C(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1    		 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
    31156
    NVG
    ZINC000016052576    		 2 C19 H22 N6 O5 InChI=1S/C19H22N6O5/c20-1
    3-7-8-25(19(29)24-13)18-1
    7(28)16(27)12(30-18)9-21-
    15(26)6-5-14-22-10-3-1-2-
    4-11(10)23-14/h1-4,7-8,12
    ,16-18,27-28H,5-6,9H2,(H,
    21,26)(H,22,23)(H2,20,24,
    29)/t12-,16+,17+,18+/m0/s
    1;
    IHRYIMVLMZNCKA-FCRVUTKVSA-N    		 c1ccc2c(c1)[nH]c(n2)CCC(=O)NCC3C(C(C(O3)
    N4C=CC(=NC4=O)N)O)O; c1ccc2c(c1)[nH]c(n2
    )CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4
    C=CC(=NC4=O)N)O)O; NC1=NC(=O)N(C=C1)[CH]
    2O[CH](CNC(=O)CCc3[nH]c4ccccc4n3)[CH](O)
    [CH]2O; NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H](
    CNC(=O)CCc3[nH]c4ccccc4n3)[C@@H](O)[C@H]
    2O; O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)C
    Cc3nc4ccccc4n3    		 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE
    31157
    NVH
    CHEMBL4592653    		 2 C19 H13 F3 N4 O5 S2 InChI=1S/C19H13F3N4O5S2/c
    1-32(28,29)13-7-12(8-23-9
    -13)26-19(27)25(10-14-15(
    21)5-11(20)6-16(14)22)18-
    17(33(26,30)31)3-2-4-24-1
    8/h2-9H,10H2,1H3;
    LWKUASRJTUZHSJ-UHFFFAOYSA-N    		 C[S](=O)(=O)c1cncc(c1)N2C(=O)N(Cc3c(F)cc
    (F)cc3F)c4ncccc4[S]2(=O)=O; CS(=O)(=O)c1
    cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c
    (cc(cc4F)F)F    		 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
    31158
    NVI
    ZINC000005853223    		 5 C5 H7 N2 InChI=1S/C5H6N2/c1-2-7-4-
    3-6-5-7/h2-5H,1H2/p+1;
    OSSNTDFYBPYIEC-UHFFFAOYSA-O    		 C=C[n+]1cc[nH]c1; C=C\[n+]1ccnc1; C=C[n+
    ]1c[nH]cc1    		 1-VINYLIMIDAZOLE
    31159
    NVJ
    CHEMBL1491504
    ZINC000000145618    		 1 C10 H13 N O2 InChI=1S/C10H13NO2/c1-2-1
    3-10(12)11-8-9-6-4-3-5-7-
    9/h3-7H,2,8H2,1H3,(H,11,1
    2);
    XSXLCQLOFRENHC-UHFFFAOYSA-N    		 N(Cc1ccccc1)C(=O)OCC; CCOC(=O)NCc1ccccc1 ethyl benzylcarbamate
    31160
    NVK
    CHEMBL291536
    ZINC000000008794    		 4 C17 H13 N5 O2 InChI=1S/C17H13N5O2/c1-10
    -20-12-5-4-11(9-15(12)24-
    10)21-17(23)22-14-6-8-18-
    13-3-2-7-19-16(13)14/h2-9
    H,1H3,(H2,18,21,22,23);
    AKMNUCBQGHFICM-UHFFFAOYSA-N    		 Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1; C
    c1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4    		 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
    31161
    NVM    		 2 C11 H14 N2 O S InChI=1S/C11H14N2OS/c1-9-
    3-2-5-13(6-4-9)11(14)10-7
    -15-8-12-10/h2,5,7-9H,3-4
    ,6H2,1H3/t9-/m1/s1;
    UZPOAAASLKBFBY-SECBINFHSA-N    		 C[CH]1CCN(C=CC1)C(=O)c2cscn2; N1(CCC(C)C
    C=C1)C(=O)c2cscn2; C[C@H]1CCN(C=CC1)C(=O
    )c2cscn2; CC1CCN(C=CC1)C(=O)c2cscn2    		 [(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone
    31162
    NVN
    CHEMBL1334465
    ZINC000003995426    		 3 C19 H18 F2 N4 O InChI=1S/C19H18F2N4O/c1-1
    1-8-17(15-9-12(20)10-16(2
    1)18(15)22-11)24-19(26)23
    -13-4-6-14(7-5-13)25(2)3/
    h4-10H,1-3H3,(H2,22,23,24
    ,26);
    JTARFZSNUAGHRB-UHFFFAOYSA-N    		 Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)
    N(C)C; CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)c
    c(F)cc23)cc1    		 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
    31163
    NVO    		 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    13-6-3-4-11(8-13)9-15(21)
    19-16-14-7-2-1-5-12(14)10
    -18-20-16/h1-8,10H,9H2,(H
    ,19,20,21);
    ATNZGZHLHMEMFV-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1; Clc1c
    ccc(c1)CC(=O)Nc1nncc2ccccc21; c1ccc2c(c1
    )cnnc2NC(=O)Cc3cccc(c3)Cl    		 2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
    31164
    NVP
    CHEMBL57
    DB00238
    ZINC000000004778    		 0 C15 H14 N4 O InChI=1S/C15H14N4O/c1-9-6
    -8-17-14-12(9)18-15(20)11
    -3-2-7-16-13(11)19(14)10-
    4-5-10/h2-3,6-8,10H,4-5H2
    ,1H3,(H,18,20);
    NQDJXKOVJZTUJA-UHFFFAOYSA-N    		 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N
    c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1
    NC(=O)c3cccnc3N2C4CC4    		 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE;
    NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE
    31165
    NVQ
    CHEMBL5086809    		 4 C22 H26 Br N5 O4 S InChI=1S/C22H26BrN5O4S/c1
    -24-13-6-14-25-20-19(27(2
    )33(31,32)18-7-4-3-5-8-18
    )21(29)26-22(30)28(20)15-
    16-9-11-17(23)12-10-16/h3
    -5,7-12,24-25H,6,13-15H2,
    1-2H3,(H,26,29,30);
    QIFWEJFIKAQPPP-UHFFFAOYSA-N    		 CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)
    NC(=O)N1Cc3ccc(Br)cc3; CNCCCNC1=C(C(=O)N
    C(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3cccc
    c3    		 ~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
    31166
    NVR    		 2 C23 H21 N3 O5 InChI=1S/C23H21N3O5/c27-2
    0-19-22(28)24-10-9-15-5-3
    -7-17(13-15)30-11-1-2-12-
    31-18-8-4-6-16(14-18)21(2
    5-19)26-23(20)29/h1-8,13-
    14,27H,9-12H2,(H,24,28)(H
    ,25,26,29)/b2-1-;
    BGEWHIHKXORALY-UPHRSURJSA-N    		 O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1
    =C(O)C(=O)N2; OC1=C2N=C(NC1=O)c3cccc(OC\
    C=C/COc4cccc(CCNC2=O)c4)c3; c1cc2cc(c1)O
    CC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)
    NCC2; OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cc
    cc(CCNC2=O)c4)c3; c1cc2cc(c1)OC/C=C\COc3
    cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2    		 (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione;
    SJ001034732-1 (Cis-form)
    31167
    NVS
    ZINC000043130039    		 6 C15 H13 N O4 InChI=1S/C15H13NO4/c1-19-
    13-6-3-11(4-7-13)16-9-10-
    2-5-12(17)8-14(10)20-15(1
    6)18/h2-8,17H,9H2,1H3;
    IBMJKJJMRYHRNQ-UHFFFAOYSA-N    		 COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O; N2(C(Oc
    1cc(O)ccc1C2)=O)c3ccc(cc3)OC; COc1ccc(cc
    1)N2Cc3ccc(cc3OC2=O)O    		 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one
    31168
    NVU
    CHEMBL3792472
    ZINC000000161692    		 12 C9 H7 N O3 InChI=1S/C9H7NO3/c11-9(12
    )5-7-6-3-1-2-4-8(6)13-10-
    7/h1-4H,5H2,(H,11,12);
    BVSIAYQIMUUCRW-UHFFFAOYSA-N    		 O=C(O)Cc2noc1ccccc12; c1ccc2c(c1)c(no2)C
    C(=O)O; OC(=O)Cc1noc2ccccc12    		 2-(1,2-benzoxazol-3-yl)ethanoic acid
    31169
    NVV
    ZINC000584905635    		 1 C19 H16 I N3 O2 InChI=1S/C19H16IN3O2/c20-
    13-3-1-2-12(6-13)18(24)16
    -9-21-8-15(16)11-4-5-14-1
    7(7-11)22-10-23-19(14)25/
    h1-7,10,15-16,21H,8-9H2,(
    H,22,23,25)/t15-,16+/m1/s
    1;
    GWAVIYJKLSHVMT-CVEARBPZSA-N    		 c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4
    c(c3)N=CNC4=O; Ic1cccc(c1)C(=O)[C@H]2CNC
    [C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc(c1)I
    )C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O; Ic1ccc
    c(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4
    c3    		 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
    31170
    NVW
    CHEMBL2385758
    ZINC000095920982    		 2 C25 H28 N4 O3 S InChI=1S/C25H28N4O3S/c1-2
    5(2,3)29-21(30)16-17-11-1
    3-19(14-12-17)26-24-22-20
    (10-7-15-33(22,31)32)27-2
    3(28-24)18-8-5-4-6-9-18/h
    4-6,8-9,11-14H,7,10,15-16
    H2,1-3H3,(H,29,30)(H,26,2
    7,28);
    IHIZFBWFXODXJS-UHFFFAOYSA-N    		 CC(C)(C)NC(=O)Cc1ccc(Nc2nc(nc3CCC[S](=O)
    (=O)c23)c4ccccc4)cc1; CC(C)(C)NC(=O)Cc1c
    cc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O
    ; O=C(NC(C)(C)C)Cc1ccc(cc1)Nc2nc(nc3c2S(
    =O)(=O)CCC3)c4ccccc4    		 N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide
    31171
    NVX
    ZINC000263621062    		 2 C19 H16 Cl N3 O2 InChI=1S/C19H16ClN3O2/c20
    -13-3-1-2-12(6-13)18(24)1
    6-9-21-8-15(16)11-4-5-14-
    17(7-11)22-10-23-19(14)25
    /h1-7,10,15-16,21H,8-9H2,
    (H,22,23,25)/t15-,16+/m1/
    s1;
    SWYGPPMJBPTZSH-CVEARBPZSA-N    		 c1cc(cc(c1)Cl)C(=O)C2CNCC2c3ccc4c(c3)N=C
    NC4=O; Clc1cccc(c1)C(=O)[CH]2CNC[CH]2c3c
    cc4C(=O)NC=Nc4c3; Clc1cccc(c1)C(=O)[C@H]
    2CNC[C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc(
    c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=
    CNC4=O    		 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
    31172
    NVY    		 5 C13 H19 F N2 InChI=1S/C13H19FN2/c1-2-1
    6-9-7-11(8-10-16)15-13-6-
    4-3-5-12(13)14/h3-6,11,15
    H,2,7-10H2,1H3;
    JXDKAPWBGLJUDX-UHFFFAOYSA-N    		 N1(CCC(CC1)Nc2ccccc2F)CC; CCN1CCC(CC1)Nc
    2ccccc2F    		 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine
    31173
    NVZ
    ZINC000095920950    		 8 C12 H18 N2 O4 S InChI=1S/C12H18N2O4S/c1-7
    (15)14-8-6-19-9(11(8)13-1
    2(14)18)4-2-3-5-10(16)17/
    h8-9,11H,2-6H2,1H3,(H,13,
    18)(H,16,17)/t8-,9-,11-/m
    0/s1;
    LXKFOEIWWHPOIN-QXEWZRGKSA-N    		 CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(
    =O)O; CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O;
    CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2
    NC1=O; CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[C
    H]2NC1=O; O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)
    NC12    		 5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
    31174
    NW0    		 1 C15 H15 Cl N2 O InChI=1S/C15H15ClN2O/c1-1
    1-7-8-17-10-14(11)18-15(1
    9)6-5-12-3-2-4-13(16)9-12
    /h2-4,7-10H,5-6H2,1H3,(H,
    18,19);
    CQMIDRCPLJZCFD-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)CCc2cccc(c2)Cl; Cc1ccncc1
    NC(=O)CCc2cccc(Cl)c2; O=C(Nc1cnccc1C)CCc
    1cccc(Cl)c1    		 3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
    31175
    NW1
    CHEMBL303958
    DB08312
    ZINC000003814479    		 1 C11 H17 N5 O2 InChI=1S/C11H17N5O2/c12-9
    -8(16-17)10(15-11(13)14-9
    )18-6-7-4-2-1-3-5-7/h7H,1
    -6H2,(H4,12,13,14,15);
    DGWXOLHKVGDQLN-UHFFFAOYSA-N    		 O=Nc2c(OCC1CCCCC1)nc(nc2N)N; Nc1nc(N)c(N
    =O)c(OCC2CCCCC2)n1; C1CCC(CC1)COc2c(c(nc
    (n2)N)N)N=O    		 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE
    31176
    NW2
    CHEMBL4646141    		 1 C27 H29 N O5 InChI=1S/C27H29NO5/c1-16(
    2)19-11-17(9-10-32-26-21(
    27(29)30)5-4-6-25(26)31-3
    )12-20(13-19)18-7-8-24-22
    (14-18)23(28)15-33-24/h4-
    8,11-14,16,23H,9-10,15,28
    H2,1-3H3,(H,29,30)/t23-/m
    1/s1;
    KXSZMPGKDDBJRE-HSZRJFAPSA-N    		 CC(C)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)CCOc4
    c(cccc4OC)C(=O)O; COc1cccc(C(O)=O)c1OCCc
    2cc(cc(c2)c3ccc4OC[C@@H](N)c4c3)C(C)C; C
    C(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)C
    COc4c(cccc4OC)C(=O)O; COc1cccc(C(O)=O)c1
    OCCc2cc(cc(c2)c3ccc4OC[CH](N)c4c3)C(C)C    		 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
    31177
    NW3    		 3 C16 H21 N3 O4 S InChI=1S/C16H21N3O4S/c1-1
    6(2)12(15(22)23)19-14(24-
    16)10(8-20)18-13(21)11(17
    )9-6-4-3-5-7-9/h3-8,10-12
    ,14,19H,17H2,1-2H3,(H,18,
    21)(H,22,23)/t10-,11-,12-
    ,14-/m0/s1;
    WHAIWIUXAXKSOT-MNXVOIDGSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=
    O)O)C; CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(
    =O)[CH](N)c2ccccc2)C=O; O=C(NC(C=O)C1NC(
    C(=O)O)C(C)(C)S1)C(N)c1ccccc1; CC1([C@@H
    ](N[C@@H](S1)[C@H](C=O)NC(=O)[C@H](c2ccc
    cc2)N)C(=O)O)C; CC1(C)S[C@H](N[C@H]1C(O)
    =O)[C@@H](NC(=O)[C@@H](N)c2ccccc2)C=O    		 (2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    31178
    NW4
    ZINC000000460647    		 4 C13 H23 N O2 InChI=1S/C13H23NO2/c15-13
    (14-8-10-16-11-9-14)7-6-1
    2-4-2-1-3-5-12/h12H,1-11H
    2;
    KUIOCGNNDZSGKS-UHFFFAOYSA-N    		 N1(CCOCC1)C(=O)CCC2CCCCC2; O=C(CCC1CCCCC
    1)N2CCOCC2; C1CCC(CC1)CCC(=O)N2CCOCC2    		 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
    31179
    NW5
    CHEMBL4636415    		 1 C27 H26 N2 O4 InChI=1S/C27H26N2O4/c1-27
    (2,16-28)21-10-17(14-32-2
    4-6-4-3-5-19(24)13-26(30)
    31)9-20(11-21)18-7-8-25-2
    2(12-18)23(29)15-33-25/h3
    -12,23H,13-15,29H2,1-2H3,
    (H,30,31)/t23-/m1/s1;
    SRKDCGUSWAONMJ-HSZRJFAPSA-N    		 CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)
    COc4ccccc4CC(=O)O; CC(C)(C#N)c1cc(COc2cc
    ccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3; C
    C(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO
    3)N)COc4ccccc4CC(=O)O; CC(C)(C#N)c1cc(CO
    c2ccccc2CC(O)=O)cc(c1)c3ccc4OC[C@@H](N)c
    4c3    		 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
    31180
    NW6
    CHEMBL9514
    DB08313
    ZINC000000056509    		 2 C14 H11 N3 O3 S InChI=1S/C14H11N3O3S/c1-2
    0-14(19)17-13-15-9-5-4-8(
    7-10(9)16-13)12(18)11-3-2
    -6-21-11/h2-7H,1H3,(H2,15
    ,16,17,19);
    KYRVNWMVYQXFEU-UHFFFAOYSA-N    		 COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3;
    COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3    		 nocodazole
    31181
    NW7
    ZINC000000373530    		 7 C11 H13 N3 O3 InChI=1S/C11H13N3O3/c1-4-
    8-10(7(3)17-13-8)11(15)12
    -9-5-6(2)16-14-9/h5H,4H2,
    1-3H3,(H,12,14,15);
    OZMHRDLCZDDXRS-UHFFFAOYSA-N    		 CCc1noc(C)c1C(=O)Nc2cc(C)on2; n2oc(C)c(C
    (Nc1noc(c1)C)=O)c2CC; CCc1c(c(on1)C)C(=O
    )Nc2cc(on2)C    		 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
    31182
    NW8
    CHEMBL4644541    		 2 C19 H13 Cl N2 InChI=1S/C19H13ClN2/c20-1
    6-10-8-14(9-11-16)17-7-4-
    12-22-13-18(21-19(17)22)1
    5-5-2-1-3-6-15/h1-13H;
    PWFFYDSSTMPMCL-UHFFFAOYSA-N    		 Clc1ccc(cc1)c2cccn3cc(nc23)c4ccccc4; c1c
    cc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl    		 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine
    31183
    NW9    		 1 C22 H26 N2 O6 InChI=1S/C22H26N2O6/c1-12
    -14(20(27)19-16(25)6-3-7-
    17(19)26)8-9-15-18(12)21(
    28)24(22(29)23(15)2)11-13
    -5-4-10-30-13/h4-5,8-10,1
    6-17,19-20,25-27H,3,6-7,1
    1H2,1-2H3/t16-,17-,20+/m1
    /s1;
    CYBBVYSDLXTTAV-HLIPFELVSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccco3)C(C4
    C(CCCC4O)O)O; Cc1c(ccc2c1C(=O)N(C(=O)N2C
    )Cc3ccco3)[C@@H](C4[C@@H](CCC[C@H]4O)O)O
    ; CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13)
    [C@H](O)C4[C@H](O)CCC[C@H]4O; CN1C(=O)N(
    Cc2occc2)C(=O)c3c(C)c(ccc13)[CH](O)C4[CH
    ](O)CCC[CH]4O    		 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione
    31184
    NWA
    ZINC000038191892    		 8 C8 H20 N O2 InChI=1S/C8H20NO2/c1-8(10
    ,11)6-5-7-9(2,3)4/h10-11H
    ,5-7H2,1-4H3/q+1;
    WEYSSHXEYINXQE-UHFFFAOYSA-N    		 CC(CCC[N+](C)(C)C)(O)O; CC(O)(O)CCC[N+](
    C)(C)C; OC(O)(C)CCC[N+](C)(C)C    		 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM
    31185
    NWB    		 0 C8 H18 N O InChI=1/C8H18NO/c1-8(10)6
    -5-7-9(2,3)4/h5-7H2,1-4H3
    /q+1;
    UKCYTFTWLWVZSO-UHFFFAOYAD    		 CC(=O)CCC[N+](C)(C)C; O=C(C)CCC[N+](C)(C
    )C    		 N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM
    31186
    NWD
    CHEMBL121191
    ZINC000001702710    		 10 C7 H8 N4 O6 InChI=1S/C7H8N4O6/c8-3(6(
    13)14)1-10-2-4(11(16)17)5
    (12)9-7(10)15/h2-3H,1,8H2
    ,(H,13,14)(H,9,12,15)/t3-
    /m0/s1;
    IEBVITXSHAFLJR-VKHMYHEASA-N    		 C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O
    -]; N[C@@H](CN1C=C(C(=O)NC1=O)[N+]([O-])
    =O)C(O)=O; C1=C(C(=O)NC(=O)N1C[C@@H](C(=
    O)O)N)[N+](=O)[O-]; N[CH](CN1C=C(C(=O)NC
    1=O)[N+]([O-])=O)C(O)=O; O=C(O)C(N)CN1C=
    C(C(=O)NC1=O)[N+]([O-])=O    		 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine;
    nitrowillardiine
    31187
    NWE
    CHEMBL4637306    		 1 C24 H23 N O3 InChI=1S/C24H23NO3/c26-24
    (27)14-21-5-1-2-7-23(21)2
    8-16-17-4-3-6-19(12-17)20
    -9-8-18-10-11-25-15-22(18
    )13-20/h1-9,12-13,25H,10-
    11,14-16H2,(H,26,27);
    PKSHGMOAJDEGBL-UHFFFAOYSA-N    		 c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c
    3)CNCC4; OC(=O)Cc1ccccc1OCc2cccc(c2)c3cc
    c4CCNCc4c3    		 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
    31188
    NWF    		 2 C29 H35 Cl N4 O4 S3 InChI=1S/C29H35ClN4O4S3/c
    30-25-8-7-24(41-25)27(36)
    31-12-23-29(38)33-10-1-2-
    22(15-33)28(37)34-13-21(1
    4-34)18-40-17-20-5-3-19(4
    -6-20)16-39-11-9-26(35)32
    -23/h3-8,21-23H,1-2,9-18H
    2,(H,31,36)(H,32,35)/t22-
    ,23+/m0/s1;
    DMWNMQDHKVVIKK-XZOQPEGZSA-N    		 Clc1sc(cc1)C(=O)NC[CH]2NC(=O)CCSCc3ccc(C
    SCC4CN(C4)C(=O)[CH]5CCC[N](C5)C2=O)cc3;
    c1cc2ccc1CSCCC(=O)N[C@@H](C(=O)N3CCC[C@@
    H](C3)C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5)
    Cl; c1cc2ccc1CSCCC(=O)NC(C(=O)N3CCCC(C3)
    C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5)Cl; Cl
    c1sc(cc1)C(=O)NC[C@H]2NC(=O)CCSCc3ccc(CS
    CC4CN(C4)C(=O)[C@H]5CCC[N@@](C5)C2=O)cc3    		 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide
    31189
    NWG
    ZINC000001529743    		 4 C6 H11 N3 O3 InChI=1S/C6H11N3O3/c7-6(8
    )9-3-1-2-4(10)5(11)12/h1-
    3H2,(H,11,12)(H4,7,8,9);
    ARBHXJXXVVHMET-UHFFFAOYSA-N    		 NC(N)=NCCCC(=O)C(O)=O; C(=O)(C(O)=O)CCC\
    N=C(/N)N; C(CC(=O)C(=O)O)CN=C(N)N    		 5-[(diaminomethylidene)amino]-2-oxopentanoic acid
    31190
    NWH
    DB03061    		 4 C8 H17 N O InChI=1S/C8H17NO/c1-3-4-5
    -6-8(2)9-7-10/h7-8H,3-6H2
    ,1-2H3,(H,9,10)/t8-/m0/s1;
    GFVRKPKAQHTAQK-QMMMGPOBSA-N    		 CCCCC[C@H](C)NC=O; CCCCC[CH](C)NC=O; CCC
    CCC(C)NC=O    		 N-[(2S)-heptan-2-yl]formamide;
    (S)-N-1-methylhexylformamide
    31191
    NWI    		 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    13-5-1-3-11(7-13)8-15(21)
    20-14-10-18-9-12-4-2-6-19
    -16(12)14/h1-7,9-10H,8H2,
    (H,20,21);
    AFQAFSYTYCJOEN-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3; Clc
    1cccc(CC(=O)Nc2cncc3cccnc23)c1; Clc1cccc
    (c1)CC(=O)Nc1cncc2cccnc21    		 2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide
    31192
    NWJ
    CHEMBL3318494
    ZINC000263621280    		 4 C18 H16 N6 O InChI=1S/C18H16N6O/c19-9-
    13-14-16(21-15(13)12-5-3-
    4-11(8-12)10-25)22-18(20)
    23-17(14)24-6-1-2-7-24/h3
    -5,8,10H,1-2,6-7H2,(H3,20
    ,21,22,23);
    YJUYKLYWYFTFQN-UHFFFAOYSA-N    		 c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N
    )C#N)C=O; Nc1nc2[nH]c(c3cccc(C=O)c3)c(C#
    N)c2c(n1)N4CCCC4; O=Cc1cccc(c1)c3c(C#N)c
    2c(nc(nc2n3)N)N4CCCC4    		 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    31193
    NWK
    CHEMBL5028560    		 2 C20 H20 Cl2 N4 O5 S InChI=1S/C20H20Cl2N4O5S/c
    1-10-14(21)15(22)17(23-10
    )18(27)25-20-24-16-12(8-1
    1(19(28)29)9-13(16)32-20)
    31-7-4-26-2-5-30-6-3-26/h
    8-9,23H,2-7H2,1H3,(H,28,2
    9)(H,24,25,27);
    IALGYKMHQTUZKU-UHFFFAOYSA-N    		 Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=
    O)O)OCCN4CCOCC4)Cl)Cl; Cc1[nH]c(C(=O)Nc2
    sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1
    Cl    		 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
    31194
    NWL
    ZINC000003276805    		 4 C13 H16 N4 O2 InChI=1S/C13H16N4O2/c1-2-
    15-10-11(14)17(13(19)16-1
    2(10)18)8-9-6-4-3-5-7-9/h
    3-7,15H,2,8,14H2,1H3,(H,1
    6,18,19);
    DHIDSSFRXLUFLN-UHFFFAOYSA-N    		 O=C1C(=C(N)N(C(=O)N1)Cc2ccccc2)NCC; CCNC
    1=C(N)N(Cc2ccccc2)C(=O)NC1=O; CCNC1=C(N(
    C(=O)NC1=O)Cc2ccccc2)N    		 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione
    31195
    NWM
    ZINC000263621234    		 4 C32 H51 N O8 InChI=1S/C32H51NO8/c1-8-3
    0(37)41-29(17-19-39-20-27
    -12-10-9-11-13-27)25(5)31
    (38)22(2)14-15-28(36)24(4
    )32(40-26(6)35)23(3)16-18
    -33(7)21-34/h9-13,21-25,2
    9,31-32,38H,8,14-20H2,1-7
    H3/t22-,23+,24-,25+,29+,3
    1+,32+/m0/s1;
    XTSMHDZMNHFSNK-YEERNSKASA-N    		 O=CN(C)CCC(C)C(OC(=O)C)C(C(=O)CCC(C)C(O)
    C(C)C(OC(=O)CC)CCOCc1ccccc1)C; CCC(=O)O[
    CH](CCOCc1ccccc1)[CH](C)[CH](O)[CH](C)CC
    C(=O)[CH](C)[CH](OC(C)=O)[CH](C)CCN(C)C=
    O; CCC(=O)OC(CCOCc1ccccc1)C(C)C(C(C)CCC(
    =O)C(C)C(C(C)CCN(C)C=O)OC(=O)C)O; CCC(=O
    )O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@
    @H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(
    C)C=O)OC(=O)C)O; CCC(=O)O[C@H](CCOCc1ccc
    cc1)[C@@H](C)[C@H](O)[C@@H](C)CCC(=O)[C@
    H](C)[C@H](OC(C)=O)[C@H](C)CCN(C)C=O    		 (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate
    31196
    NWN    		 2 C3 H4 Fe N2 Ni O InChI=1S/2CN.CH3O.Fe.Ni.H
    /c3*1-2;;;/h;;2H,1H2;;;/q
    ;;;;+2;-1;
    ZUFDVORDBCYGRI-UHFFFAOYSA-N    		 [H-]([Fe](CO)(C#N)C#N)[Ni+2]; [Ni++][H-]
    [Fe](CO)(C#N)C#N; [Ni+2][H-][Fe](C#N)(C#
    N)CO    		 hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron
    31197
    NWO
    ZINC000001712309    		 3 C7 H14 O InChI=1S/C7H14O/c1-6-3-2-
    4-7(8)5-6/h6-8H,2-5H2,1H3
    /t6-,7-/m0/s1;
    HTSABYAWKQAHBT-BQBZGAKWSA-N    		 CC1CCCC(C1)O; CC1CC(O)CCC1; C[C@H]1CCC[C
    @@H](C1)O; C[C@H]1CCC[C@H](O)C1; C[CH]1C
    CC[CH](O)C1    		 (1S,3S)-3-methylcyclohexan-1-ol
    31198
    NWP
    ZINC000040105632    		 2 C9 H20 N2 O3 S InChI=1S/C9H20N2O3S/c1-8(
    2)10(4)15(12,13)11-5-6-14
    -9(3)7-11/h8-9H,5-7H2,1-4
    H3/t9-/m1/s1;
    XYVINBFQYYSZBX-SECBINFHSA-N    		 CC(C)N(C)[S](=O)(=O)N1CCO[C@H](C)C1; CC1
    CN(CCO1)S(=O)(=O)N(C)C(C)C; CC(C)N(C)[S]
    (=O)(=O)N1CCO[CH](C)C1; C[C@@H]1CN(CCO1)
    S(=O)(=O)N(C)C(C)C; N1(S(N(C(C)C)C)(=O)=
    O)CCOC(C)C1    		 (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
    31199
    NWQ
    CHEMBL519809
    ZINC000001683110    		 1 C11 H14 N6 O4 InChI=1S/C11H14N6O4/c1-13
    -10(20)7-5(18)6(19)11(21-
    7)17-3-16-4-8(12)14-2-15-
    9(4)17/h2-3,5-7,11,18-19H
    ,1H3,(H,13,20)(H2,12,14,1
    5)/t5-,6+,7-,11+/m0/s1;
    PLYRYAHDNXANEG-QMWPFBOUSA-N    		 CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(
    N)ncnc23; CNC(=O)[C@@H]1[C@H]([C@H]([C@@
    H](O1)n2cnc3c2ncnc3N)O)O; CNC(=O)[C@H]1O
    [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23;
    CNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O    		 (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
    31200
    NWR    		 2 C30 H36 Cl N3 O3 S2 InChI=1S/C30H36ClN3O3S2/c
    31-26-11-9-22(10-12-26)18
    -27-30(37)34-15-3-4-25(19
    -34)29(36)32-14-1-2-16-38
    -20-23-5-7-24(8-6-23)21-3
    9-17-13-28(35)33-27/h1-2,
    5-12,25,27H,3-4,13-21H2,(
    H,32,36)(H,33,35)/b2-1+/t
    25-,27-/m0/s1;
    PYZAWVLVOFYELK-DXKRRACBSA-N    		 Clc1ccc(C[C@@H]2NC(=O)CCSCc3ccc(CSC/C=C/
    CNC(=O)[C@H]4CCC[N@@](C4)C2=O)cc3)cc1; C
    lc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=
    O)[CH]4CCC[N](C4)C2=O)cc3)cc1; c1cc2ccc1
    CSCCC(=O)NC(C(=O)N3CCCC(C3)C(=O)NCC=CCSC
    2)Cc4ccc(cc4)Cl; c1cc2ccc1CSCCC(=O)N[C@H
    ](C(=O)N3CCC[C@@H](C3)C(=O)NC/C=C/CSC2)C
    c4ccc(cc4)Cl    		 (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).