Attachment_1_FINAL.xlsx

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Multiple Chemicals Federal contract opportunity
Solicitation number
SB1341-17-RFQ-01712-1
Issued by
Department of Commerce National Institute of Standards and Technology

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AMS_CART_249400

SOW - Attacment 1 - Chemical List
#IUPAC NameFormulaFormula WeightQTY_REQUESTEDQTY_UOMINCHISMILESUNIT PRICETOTAL PRICE
15-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehydeC6H7ClN2O158.585610mg1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3Clc1[n](nc(c1C=O)C)C$ - 0
21H-indole-6-carbonitrileC9H6N2142.157310mg1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H[nH]1c2c(cc1)ccc(c2)C#N$ - 0
34-fluoro-2-hydroxybenzoic acidC7H5FO3156.111210mg1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)Fc1cc(c(cc1)C(=O)O)O$ - 0
4N-methyl-1-(thiophen-2-yl)methanamineC6H9NS127.207410mg1S/C6H9NS/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3[s]1c(ccc1)CNC$ - 0
53-(thiophen-2-yl)-1H-pyrazoleC7H6N2S150.200910mg1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)[s]1c(ccc1)c2n[nH]cc2$ - 0
61-(1,4-diazepan-1-yl)ethan-1-oneC7H14N2O142.198910mg1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3N1(CCNCCC1)C(=O)C$ - 0
7N-(2-fluorophenyl)hydrazinecarbothioamideC7H8FN3S185.221910mg1S/C7H8FN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)Fc1c(cccc1)NC(=S)NN$ - 0
82,4-dichloropyridineC5H3Cl2N147.9910mg1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3HClc1nccc(c1)Cl$ - 0
9(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acidC7H8N2O4184.149410mg1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)N1(C=C(C(=O)NC1=O)C)CC(=O)O$ - 0
103-(3-fluorophenyl)propanoic acidC9H9FO2168.16510mg1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)Fc1cc(ccc1)CCC(=O)O$ - 0
116-fluoro-2H-3,1-benzoxazine-2,4(1H)-dioneC8H4FNO3181.120710mg1S/C8H4FNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)Fc1cc2c(cc1)NC(=O)OC2=O$ - 0
124-chloro-2-benzofuran-1,3-dioneC8H3ClO3182.560610mg1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3HClc1c2c(ccc1)C(=O)OC2=O$ - 0
13cinnolin-4-olC8H6N2O146.14610mg1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)n1ncc(c2c1cccc2)O$ - 0
143-fluoro-4-methylbenzaldehydeC8H7FO138.13910mg1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3Fc1c(ccc(c1)C=O)C$ - 0
152-(1H-pyrazol-1-yl)anilineC9H9N3159.187910mg1S/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2[n]2(nccc2)c1c(cccc1)N$ - 0
166-fluoropyridine-3-carboxylic acidC6H4FNO2141.099910mg1S/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)Fc1ncc(cc1)C(=O)O$ - 0
17methyl 5-amino-4-oxopentanoate--hydrogen chloride (1/1)C6H12ClNO3181.6174 (36.4609+145.1564)10mg1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1HCl.NCC(=O)CCC(=O)OC$ - 0
181,3-benzothiazol-5-amineC7H6N2S150.200910mg1S/C7H6N2S/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2[s]1c2c(nc1)cc(cc2)N$ - 0
192,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethan-1-oneC6H4F3NO163.097310mg1S/C6H4F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10HFC(F)(F)C(=O)c1[nH]ccc1$ - 0
202-chloro-3-methylquinolineC10H8ClN177.630210mg1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3Clc1nc2c(cc1C)cccc2$ - 0
215-nitrothiophene-2-carboxylic acidC5H3NO4S173.146610mg1S/C5H3NO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)[s]1c(ccc1C(=O)O)[N+](=O)[O-]$ - 0
22methyl 2-isothiocyanatobenzoateC9H7NO2S193.222410mg1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3S=C=Nc1c(cccc1)C(=O)OC$ - 0
234-(4-methylpiperazin-1-yl)anilineC11H17N3191.272810mg1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3N1(CCN(CC1)c2ccc(cc2)N)C$ - 0
24N-(2-methylpropyl)ureaC5H12N2O116.161610mg1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)N(CC(C)C)C(=O)N$ - 0
25(1H-benzotriazol-1-yl)methanolC7H7N3O149.1510mg1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2[n]1(nnc2c1cccc2)CO$ - 0
265-methyl-1H-benzimidazol-2-amineC8H9N3147.177210mg1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)[nH]1c2c(nc1N)cc(cc2)C$ - 0
275-phenyl-2H-1,3,4-oxathiazol-2-oneC8H5NO2S179.195810mg1S/C8H5NO2S/c10-8-11-7(9-12-8)6-4-2-1-3-5-6/h1-5HS1N=C(OC1=O)c2ccccc2$ - 0
281H-pyrazol-3-ylboronic acidC3H5BN2O2111.89510mg1S/C3H5BN2O2/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6)B(O)(O)c1n[nH]cc1$ - 0
293-phosphonopropanoic acidC3H7O5P154.058410mg1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)[P](=O)(O)(O)CCC(=O)O$ - 0
30(3-methoxyphenyl)boronic acidC7H9BO3151.955610mg1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3B(O)(O)c1cc(ccc1)OC$ - 0
312,6-dimethyl-4-nitroanilineC8H10N2O2166.177210mg1S/C8H10N2O2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,9H2,1-2H3[N+](=O)([O-])c1cc(c(c(c1)C)N)C$ - 0
321,2,2,6,6-pentamethylpiperidin-4-olC10H21NO171.279810mg1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3N1(C(CC(CC1(C)C)O)(C)C)C$ - 0
334-fluoro-3-methylanilineC7H8FN125.143510mg1S/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3Fc1c(cc(cc1)N)C$ - 0
344-phenoxypyridineC11H9NO171.195310mg1S/C11H9NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9Hn1ccc(cc1)Oc2ccccc2$ - 0
356-chloro-2H-1,4-benzoxazin-3(4H)-oneC8H6ClNO2183.591710mg1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)Clc1cc2c(cc1)OCC(=O)N2$ - 0
363-aminopyridin-4-olC5H6N2O110.113910mg1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)Nc1cnccc1O$ - 0
378-chloro-2H-3,1-benzoxazine-2,4(1H)-dioneC8H4ClNO3197.575310mg1S/C8H4ClNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)Clc1c2c(ccc1)C(=O)OC(=O)N2$ - 0
382,2-difluoroethan-1-amineC2H5F2N81.064610mg1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2FC(F)CN$ - 0
393-(benzenesulfonyl)propanenitrileC9H9NO2S195.238310mg1S/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2[S](=O)(=O)(CCC#N)c1ccccc1$ - 0
40N-(2-fluorophenyl)ureaC7H7FN2O154.141710mg1S/C7H7FN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)Fc1c(cccc1)NC(=O)N$ - 0
415-(pyridin-4-yl)-1H-1,2,4-triazole-3-thiolC7H6N4S178.214310mg1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)Sc1n[nH]c(n1)c2ccncc2$ - 0
424-hydroxy-3-methoxy-2-nitrobenzaldehydeC8H7NO5197.144910mg1S/C8H7NO5/c1-14-8-6(11)3-2-5(4-10)7(8)9(12)13/h2-4,11H,1H3[N+](=O)([O-])c1c(c(ccc1C=O)O)OC$ - 0
432-(chloromethyl)-4-nitrophenolC7H6ClNO3187.580410mg1S/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2ClCc1c(ccc(c1)[N+](=O)[O-])O$ - 0
441-(piperazin-1-yl)ethan-1-oneC6H12N2O128.172310mg1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3N1(CCNCC1)C(=O)C$ - 0
454H-thieno[3,2-b]pyrrole-5-carboxylic acidC7H5NO2S167.185110mg1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)[s]1c2c([nH]c(c2)C(=O)O)cc1$ - 0
462-chloro-3-methylquinoxalineC9H7ClN2178.618310mg1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3Clc1nc2c(nc1C)cccc2$ - 0
47furan-2-ylboronic acidC4H5BO3111.891710mg1S/C4H5BO3/c6-5(7)4-2-1-3-8-4/h1-3,6-7HB(O)(O)c1[o]ccc1$ - 0
484-(6-chloropyridazin-3-yl)morpholineC8H10ClN3O199.637510mg1S/C8H10ClN3O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2Clc1nnc(cc1)N2CCOCC2$ - 0
492,6-dioxopiperidine-4-carboxylic acidC6H7NO4157.124110mg1S/C6H7NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h3H,1-2H2,(H,10,11)(H,7,8,9)N1C(=O)CC(CC1=O)C(=O)O$ - 0
507-chloro-2H-3,1-benzoxazine-2,4(1H)-dioneC8H4ClNO3197.575310mg1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)Clc1cc2c(cc1)C(=O)OC(=O)N2$ - 0
514-(4-fluorophenyl)-1H-imidazoleC9H7FN2162.163710mg1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)Fc1ccc(cc1)c2nc[nH]c2$ - 0
522-chloro-N,N-diethylethan-1-amine--hydrogen chloride (1/1)C6H15Cl2N172.0960 (135.6351+36.4609)10mg1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1HClCCN(CC)CC.Cl$ - 0
533-amino-4-hydroxy-1lambda~6~-thiolane-1,1-dioneC4H9NO3S151.184210mg1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2[S]1(=O)(=O)CC(C(C1)O)N$ - 0
54N-(2-cyanophenyl)methanesulfonamideC8H8N2O2S196.226310mg1S/C8H8N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3[S](=O)(=O)(Nc1c(cccc1)C#N)C$ - 0
558-fluoroquinolineC9H6FN147.14910mg1S/C9H6FN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6HFc1c2ncccc2ccc1$ - 0
566-chloroquinoxaline-2,3-diolC8H5ClN2O2196.590510mg1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)Clc1cc2nc(c(nc2cc1)O)O$ - 0
574,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acidC9H10O2S182.239510mg1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)[s]1c2c(cc1C(=O)O)CCCC2$ - 0
582,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acidC9H5NO4191.140310mg1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)N1c2c(cccc2C(=O)O)C(=O)C1=O$ - 0
595,6,7,8-tetrahydronaphthalene-2-carboxylic acidC11H12O2176.211810mg1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)OC(=O)c1cc2c(cc1)CCCC2$ - 0
60quinoline-3-carbaldehydeC10H7NO157.168710mg1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7Hn1c2c(cc(c1)C=O)cccc2$ - 0
61(4-ethylphenyl)boronic acidC8H11BO2149.982710mg1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3B(O)(O)c1ccc(cc1)CC$ - 0
62(3-chlorophenyl)boronic acidC6H6BClO2156.374610mg1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10HB(O)(O)c1cc(ccc1)Cl$ - 0
632-chloro-5-nitrobenzamideC7H5ClN2O3200.579210mg1S/C7H5ClN2O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,(H2,9,11)Clc1c(cc(cc1)[N+](=O)[O-])C(=O)N$ - 0
64[4-(2-methylpropyl)phenyl]acetic acidC12H16O2192.254210mg1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)OC(=O)Cc1ccc(cc1)CC(C)C$ - 0
653-chloro-1H-indazoleC7H5ClN2152.58110mg1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)Clc1n[nH]c2c1cccc2$ - 0
66amino(oxo)acetic acidC2H3NO389.050110mg1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)NC(=O)C(=O)O$ - 0
67(3-nitrophenyl)boronic acidC6H6BNO4166.927110mg1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10HB(O)(O)c1cc(ccc1)[N+](=O)[O-]$ - 0
685-methyl-1,2-oxazol-3-olC4H5NO299.08810mg1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)n1[o]c(cc1O)C$ - 0
696-bromopyridin-2-amineC5H5BrN2173.010610mg1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)Brc1nc(ccc1)N$ - 0
705-chloro-1,3-benzoxazole-2-thiolC7H4ClNOS185.630810mg1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)Sc1nc2c([o]1)ccc(c2)Cl$ - 0
71(4-chlorophenyl)boronic acidC6H6BClO2156.374610mg1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10HB(O)(O)c1ccc(cc1)Cl$ - 0
722-amino-1-phenylethan-1-one--hydrogen chloride (1/1)C8H10ClNO171.6241 (36.4609+135.1632)10mg1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1HCl.NCC(=O)c1ccccc1$ - 0
73[(4-hydroxyphenyl)methylidene]propanedinitrileC10H6N2O170.167410mg1S/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13HN#CC(=Cc1ccc(cc1)O)C#N$ - 0
746-chloroquinazolin-4-olC8H5ClN2O180.591110mg1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)Clc1cc2c(ncnc2O)cc1$ - 0
752-methylquinoline-4-carboxamideC11H10N2O186.209910mg1S/C11H10N2O/c1-7-6-9(11(12)14)8-4-2-3-5-10(8)13-7/h2-6H,1H3,(H2,12,14)NC(=O)c1c2c(nc(c1)C)cccc2$ - 0
762-chloro-1H-indole-3-carbaldehydeC9H6ClNO179.60310mg1S/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11HClc1[nH]c2c(c1C=O)cccc2$ - 0
77isocyanocyclohexaneC7H11N109.168910mg1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2[N+](#[C-])C1CCCCC1$ - 0
785-methylimidazo[1,2-a]pyridineC8H8N2132.162510mg1S/C8H8N2/c1-7-3-2-4-8-9-5-6-10(7)8/h2-6H,1H3[n]21c(ncc2)C=CC=C1C$ - 0
79N-(3-methoxyphenyl)thioureaC8H10N2OS182.242810mg1S/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)S=C(Nc1cc(ccc1)OC)N$ - 0
801-benzothiophen-2-ylboronic acidC8H7BO2S178.01610mg1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11HB(O)(O)c1[s]c2c(c1)cccc2$ - 0
811,3,5-triazinane-2,4-dioneC3H5N3O2115.090710mg1S/C3H5N3O2/c7-2-4-1-5-3(8)6-2/h1H2,(H3,4,5,6,7,8)N1CNC(=O)NC1=O$ - 0
82(4-chlorophenoxy)acetonitrileC8H6ClNO167.592310mg1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2Clc1ccc(cc1)OCC#N$ - 0
836-fluoro-1H-indoleC8H6FN135.138310mg1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10HFc1cc2[nH]ccc2cc1$ - 0
846-amino-5-methyl-1H-benzimidazol-2-olC8H9N3O163.176610mg1S/C8H9N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3,(H2,10,11,12)[nH]1c2c(nc1O)cc(c(c2)N)C$ - 0
85(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acidC6H6N2O4170.122810mg1S/C6H6N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-2H,3H2,(H,10,11)(H,7,9,12)N1(C=CC(=O)NC1=O)CC(=O)O$ - 0
862-(5-fluoro-1H-indol-3-yl)ethan-1-amineC10H11FN2178.206110mg1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2Fc1cc2c([nH]cc2CCN)cc1$ - 0
876-fluoro-2H-1,4-benzoxazin-3(4H)-oneC8H6FNO2167.137110mg1S/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)Fc1cc2c(cc1)OCC(=O)N2$ - 0
881-(5-chloropyridin-2-yl)piperazineC9H12ClN3197.664710mg1S/C9H12ClN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2Clc1cnc(cc1)N2CCNCC2$ - 0
892-(chloromethyl)benzonitrileC8H6ClN151.592910mg1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2ClCc1c(cccc1)C#N$ - 0
901-hydrazinylphthalazine--hydrogen chloride (1/1)C8H9ClN4196.6369 (36.4609+160.1759)10mg1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1HCl.N(N)c1nncc2c1cccc2$ - 0
91N-hydroxy-2-methylbenzene-1-carboximidamideC8H10N2O150.177810mg1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)N(O)C(=N)c1c(cccc1)C$ - 0
922-chloro-1-(pyrrolidin-1-yl)ethan-1-oneC6H10ClNO147.602710mg1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2ClCC(=O)N1CCCC1$ - 0
933,3-dimethyloxolane-2,5-dioneC6H8O3128.125910mg1S/C6H8O3/c1-6(2)3-4(7)9-5(6)8/h3H2,1-2H3O1C(=O)C(CC1=O)(C)C$ - 0
942-(2,6-dichlorophenyl)ethan-1-amineC8H9Cl2N190.069810mg1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2Clc1c(c(ccc1)Cl)CCN$ - 0
95ethyl 1-aminocyclopentane-1-carboxylate--hydrogen chloride (1/1)C8H16ClNO2193.6711 (36.4609+157.2102)10mg1S/C8H15NO2.ClH/c1-2-11-7(10)8(9)5-3-4-6-8;/h2-6,9H2,1H3;1HCl.NC1(CCCC1)C(=O)OCC$ - 0
961-(propan-2-yl)-1H-indole-3-carbaldehydeC12H13NO187.237710mg1S/C12H13NO/c1-9(2)13-7-10(8-14)11-5-3-4-6-12(11)13/h3-9H,1-2H3[n]1(c2c(c(c1)C=O)cccc2)C(C)C$ - 0
979-hydroxynonanoic acidC9H18O3174.237410mg1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)OCCCCCCCCC(=O)O$ - 0
982,5-dimethyl-1,3-thiazole-4-carboxylic acidC6H7NO2S157.190310mg1S/C6H7NO2S/c1-3-5(6(8)9)7-4(2)10-3/h1-2H3,(H,8,9)[s]1c(nc(c1C)C(=O)O)C$ - 0
991-(1-methylpiperidin-4-yl)methanamineC7H16N2128.215310mg1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3N1(CCC(CC1)CN)C$ - 0
1002-(difluoromethoxy)benzoic acidC8H6F2O3188.128210mg1S/C8H6F2O3/c9-8(10)13-6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)FC(F)Oc1c(cccc1)C(=O)O$ - 0
101oxan-4-amineC5H11NO101.146910mg1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2NC1CCOCC1$ - 0
102(2-iminoimidazolidin-1-yl)acetic acidC5H9N3O2143.143910mg1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)N1(CCNC1=N)CC(=O)O$ - 0
1034-ethyl-4-formylhexanenitrileC9H15NO153.221510mg1S/C9H15NO/c1-3-9(4-2,8-11)6-5-7-10/h8H,3-6H2,1-2H3N#CCCC(CC)(CC)C=O$ - 0
1042,2,5,5-tetramethylimidazolidine-4-thioneC7H14N2S158.264510mg1S/C7H14N2S/c1-6(2)5(10)8-7(3,4)9-6/h9H,1-4H3,(H,8,10)S=C1NC(NC1(C)C)(C)C$ - 0
1056-(trifluoromethyl)-1H-indoleC9H6F3N185.145810mg1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13HFC(F)(F)c1cc2[nH]ccc2cc1$ - 0
1064-ethynyl-1,1'-biphenylC14H10178.229210mg1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11Hc2(ccc(cc2)C#C)c1ccccc1$ - 0
1071-butyl-1H-benzimidazol-2-amineC11H15N3189.256910mg1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)[n]1(c2c(nc1N)cccc2)CCCC$ - 0
1085-bromo-1H-benzotriazoleC6H4BrN3198.020110mg1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)Brc1cc2nn[nH]c2cc1$ - 0
1092,3,5-trifluoro-6-nitroanilineC6H3F3N2O2192.095410mg1S/C6H3F3N2O2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H,10H2Fc1c(cc(c(c1N)[N+](=O)[O-])F)F$ - 0
110piperidine-4,4-diol--hydrogen chloride (1/1)C5H12ClNO2153.6073 (36.4609+117.1463)10mg1S/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1HCl.N1CCC(CC1)(O)O$ - 0
111N-methyl-1-(quinolin-3-yl)methanamineC11H12N2172.226410mg1S/C11H12N2/c1-12-7-9-6-10-4-2-3-5-11(10)13-8-9/h2-6,8,12H,7H2,1H3N(Cc1cnc2c(c1)cccc2)C$ - 0
112piperazine-2-carboxamideC5H11N3O129.160310mg1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)N1C(CNCC1)C(=O)N$ - 0
1131-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-oneC7H10N2O138.167110mg1S/C7H10N2O/c1-5-7(6(2)10)4-9(3)8-5/h4H,1-3H3[n]1(nc(c(c1)C(=O)C)C)C$ - 0
1144-(difluoromethoxy)benzoic acidC8H6F2O3188.128210mg1S/C8H6F2O3/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)FC(F)Oc1ccc(cc1)C(=O)O$ - 0
115[(2-fluorophenyl)sulfanyl]acetic acidC8H7FO2S186.203410mg1S/C8H7FO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)Fc1c(cccc1)SCC(=O)O$ - 0
116ethyl (1-aminocyclohexyl)acetateC10H19NO2185.263410mg1S/C10H19NO2/c1-2-13-9(12)8-10(11)6-4-3-5-7-10/h2-8,11H2,1H3NC1(CCCCC1)CC(=O)OCC$ - 0
1178-methoxy-3,4-dihydronaphthalen-2(1H)-oneC11H12O2176.211810mg1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3O(C)c1c2c(ccc1)CCC(=O)C2$ - 0
1182-(4-methylpiperidin-1-yl)ethan-1-amineC8H18N2142.241910mg1S/C8H18N2/c1-8-2-5-10(6-3-8)7-4-9/h8H,2-7,9H2,1H3N1(CCC(CC1)C)CCN$ - 0
1193-(1H-pyrazol-4-yl)benzoic acidC10H8N2O2188.182710mg1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)[nH]1ncc(c1)c2cc(ccc2)C(=O)O$ - 0
1205-(trifluoromethyl)pyridin-2-olC6H4F3NO163.097310mg1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)FC(F)(F)c1cnc(cc1)O$ - 0
121N-(2-aminoethyl)pyridine-4-carboxamideC8H11N3O165.192410mg1S/C8H11N3O/c9-3-6-11-8(12)7-1-4-10-5-2-7/h1-2,4-5H,3,6,9H2,(H,11,12)N(CCN)C(=O)c1ccncc1$ - 0
122(2,4,6-trimethylphenyl)boronic acidC9H13BO2164.009310mg1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3B(O)(O)c1c(cc(cc1C)C)C$ - 0
1232,2,2-trifluoroethyl formateC3H3F3O2128.049910mg1S/C3H3F3O2/c4-3(5,6)1-8-2-7/h2H,1H2FC(F)(F)COC=O$ - 0
124thian-4-amine--hydrogen chloride (1/1)C5H12ClNS153.6735 (117.2125+36.4609)10mg1S/C5H11NS.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1HS1CCC(CC1)N.Cl$ - 0
1254-fluoro-1,3-benzothiazol-2-amineC7H5FN2S168.191410mg1S/C7H5FN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)Fc1c2nc([s]c2ccc1)N$ - 0
1261-(4-fluorophenyl)propan-1-olC9H11FO154.181410mg1S/C9H11FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3Fc1ccc(cc1)C(O)CC$ - 0
1272-(5-methyl-1H-pyrazol-1-yl)propanoic acidC7H10N2O2154.166510mg1S/C7H10N2O2/c1-5-3-4-8-9(5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)[n]1(nccc1C)C(C)C(=O)O$ - 0
128(1-methyl-1H-imidazol-2-yl)(thiophen-2-yl)methanolC9H10N2OS194.253510mg1S/C9H10N2OS/c1-11-5-4-10-9(11)8(12)7-3-2-6-13-7/h2-6,8,12H,1H3[s]1c(ccc1)C(O)c2[n](ccn2)C$ - 0
1296-hydroxypyridine-3-carbonitrileC6H4N2O120.108810mg1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)n1c(ccc(c1)C#N)O$ - 0
130(5-fluoro-2-methoxyphenyl)boronic acidC7H8BFO3169.94610mg1S/C7H8BFO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3B(O)(O)c1c(ccc(c1)F)OC$ - 0
131(2-chloro-4-fluorophenyl)acetic acidC8H6ClFO2188.583410mg1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)Fc1cc(c(cc1)CC(=O)O)Cl$ - 0
1322-chloro-6-methylbenzoic acidC8H7ClO2170.59310mg1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)Clc1c(c(ccc1)C)C(=O)O$ - 0
1331-bromo-3-methoxypropaneC4H9BrO153.017710mg1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3BrCCCOC$ - 0
1341-ethenyl-4-(trifluoromethyl)benzeneC9H7F3172.147110mg1S/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2FC(F)(F)c1ccc(cc1)C=C$ - 0
1352-azido-1H-benzimidazoleC7H5N5159.148110mg1S/C7H5N5/c8-12-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)[N+](=[N-])=Nc1[nH]c2c(n1)cccc2$ - 0
1362,4-dichloro-1,3-thiazole-5-carbaldehydeC4HCl2NOS182.027810mg1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H[s]1c(nc(c1C=O)Cl)Cl$ - 0
1374-(6-chloropyrimidin-4-yl)morpholineC8H10ClN3O199.637510mg1S/C8H10ClN3O/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2Clc1ncnc(c1)N2CCOCC2$ - 0
1383-(4H-1,2,4-triazol-4-yl)benzoic acidC9H7N3O2189.170810mg1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,(H,13,14)[n]2(cnnc2)c1cc(ccc1)C(=O)O$ - 0
1392-(difluoromethoxy)anilineC7H7F2NO159.133410mg1S/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2FC(F)Oc1c(cccc1)N$ - 0
1404-(furan-2-yl)-1,3-thiazol-2-amineC7H6N2OS166.200310mg1S/C7H6N2OS/c8-7-9-5(4-11-7)6-2-1-3-10-6/h1-4H,(H2,8,9)[s]1c(nc(c1)c2[o]ccc2)N$ - 0
1411,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-amineC8H10N4162.191810mg1S/C8H10N4/c1-5-7-3-6(9)4-10-8(7)12(2)11-5/h3-4H,9H2,1-2H3[n]1(nc(c2c1ncc(c2)N)C)C$ - 0
142(3-ethoxyphenyl)boronic acidC8H11BO3165.982110mg1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3B(O)(O)c1cc(ccc1)OCC$ - 0
1435-(4-methoxyphenyl)-1H-pyrazol-3-amineC10H11N3O189.213810mg1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)[nH]1nc(cc1c2ccc(cc2)OC)N$ - 0
1442-methyl-1H-benzimidazol-4-amineC8H9N3147.177210mg1S/C8H9N3/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,9H2,1H3,(H,10,11)[nH]1c2c(nc1C)c(ccc2)N$ - 0
1452-(thiophen-2-yl)acetamideC6H7NOS141.190910mg1S/C6H7NOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H2,7,8)[s]1c(ccc1)CC(=O)N$ - 0
1464-methoxy-2-nitrobenzonitrileC8H6N2O3178.144810mg1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3[N+](=O)([O-])c1c(ccc(c1)OC)C#N$ - 0
1474-chloro-2-fluorobenzaldehydeC7H4ClFO158.557510mg1S/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4HFc1c(ccc(c1)Cl)C=O$ - 0
1485-chloro-3-methyl-1-benzothiopheneC9H7ClS182.669910mg1S/C9H7ClS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3[s]1c2c(c(c1)C)cc(cc2)Cl$ - 0
1492-amino-5-phenylfuran-3-carbonitrileC11H8N2O184.19410mg1S/C11H8N2O/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2Nc1[o]c(cc1C#N)c2ccccc2$ - 0
150N-cyclopropyl-2-hydroxybenzamideC10H11NO2177.199810mg1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)N(C2CC2)C(=O)c1c(cccc1)O$ - 0
1512-methyl-4-(trimethylsilyl)but-3-yn-2-olC8H16OSi156.297510mg1S/C8H16OSi/c1-8(2,9)6-7-10(3,4)5/h9H,1-5H3[Si](C)(C)(C)C#CC(O)(C)C$ - 0
1522-amino-4,6-dimethylpyridine-3-carboxamideC8H11N3O165.192410mg1S/C8H11N3O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,9,11)(H2,10,12)Nc1nc(cc(c1C(=O)N)C)C$ - 0
1534-cyanobenzene-1-sulfonamideC7H6N2O2S182.199710mg1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)[S](=O)(=O)(N)c1ccc(cc1)C#N$ - 0
1541,4,5,6-tetrahydropyrimidineC4H8N284.119710mg1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)N1CCCN=C1$ - 0
155(1R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acidC11H12O2176.211810mg1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)/t10-/m1/s1OC(=O)[C@@H]1CCCc2c1cccc2$ - 0
1564-hydroxybenzene-1-carbothioamideC7H7NOS153.201610mg1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)S=C(N)c1ccc(cc1)O$ - 0
1573-(chloromethyl)-5-phenyl-1,2,4-oxadiazoleC9H7ClN2O194.617710mg1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2ClCc1n[o]c(n1)c2ccccc2$ - 0
158ethyl (1-hydroxycyclohexyl)acetateC10H18O3186.248110mg1S/C10H18O3/c1-2-13-9(11)8-10(12)6-4-3-5-7-10/h12H,2-8H2,1H3OC1(CCCCC1)CC(=O)OCC$ - 0
1591-(2-chloroethyl)piperidine--hydrogen chloride (1/1)C7H15Cl2N184.1067 (147.6458+36.4609)10mg1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1HClCCN1CCCCC1.Cl$ - 0
1602-amino-5-fluorobenzonitrileC7H5FN2136.126410mg1S/C7H5FN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2Fc1cc(c(cc1)N)C#N$ - 0
161(2-fluorophenyl)hydrazine--hydrogen chloride (1/1)C6H8ClFN2162.5925 (126.1316+36.4609)10mg1S/C6H7FN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1HFc1c(cccc1)NN.Cl$ - 0
1621,1-dimethylpiperidin-1-ium chlorideC7H16ClN149.6616 (35.4535+114.2081)10mg1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1[Cl-].[N+]1(CCCCC1)(C)C$ - 0
1636-hydroxy-5-nitropyridine-3-carboxylic acidC6H4N2O5184.106410mg1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)[N+](=O)([O-])c1c(ncc(c1)C(=O)O)O$ - 0
1643,4,5-trifluorobenzoic acidC7H3F3O2176.092710mg1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)Fc1c(cc(cc1F)C(=O)O)F$ - 0
1652-sulfanylpyridine-3-carbonitrileC6H4N2S136.174410mg1S/C6H4N2S/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)Sc1ncccc1C#N$ - 0
1662-amino-1,3-benzothiazol-6-olC7H6N2OS166.200310mg1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9)[s]1c2c(nc1N)ccc(c2)O$ - 0
1675-(trifluoromethyl)-1,3,4-oxadiazol-2-amineC3H2F3N3O153.062710mg1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)FC(F)(F)c1nnc([o]1)N$ - 0
1685-fluoro-2-methoxypyrimidin-4-olC5H5FN2O2144.103810mg1S/C5H5FN2O2/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)Fc1c(nc(nc1)OC)O$ - 0
1692,2-dimethyl-3-phenylpropan-1-olC11H16O164.244110mg1S/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3OCC(Cc1ccccc1)(C)C$ - 0
1702-(piperazin-1-yl)acetamideC6H13N3O143.186910mg1S/C6H13N3O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2,(H2,7,10)N1(CCNCC1)CC(=O)N$ - 0
1714-methoxyfuran-2(5H)-oneC5H6O3114.099310mg1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3O1CC(=CC1=O)OC$ - 0
1725-methyl-1,2-oxazole-4-carboxylic acidC5H5NO3127.098110mg1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)n1[o]c(c(c1)C(=O)O)C$ - 0
1737H-purine-2,6-dithiolC5H4N4S2184.242110mg1S/C5H4N4S2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)Sc1nc2nc[nH]c2c(n1)S$ - 0
174imidazo[1,2-b]pyridazineC6H5N3119.12410mg1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H[n]21c(ncc2)C=CC=N1$ - 0
175quinoline-6-carbaldehydeC10H7NO157.168710mg1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7Hn1c2c(cc(cc2)C=O)ccc1$ - 0
176N-(4-acetylphenyl)thioureaC9H10N2OS194.253510mg1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)S=C(Nc1ccc(cc1)C(=O)C)N$ - 0
1772-chloro-5-fluoroanilineC6H5ClFN145.56210mg1S/C6H5ClFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2Fc1cc(c(cc1)Cl)N$ - 0
178N-(3-methoxyphenyl)ureaC8H10N2O2166.177210mg1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)N(c1cc(ccc1)OC)C(=O)N$ - 0
1792-chloro-1H-isoindole-1,3(2H)-dioneC8H4ClNO2181.575910mg1S/C8H4ClNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4HClN1C(=O)c2c(cccc2)C1=O$ - 0
1804-hydroxy-3-methylphenyl thiocyanateC8H7NOS165.212310mg1S/C8H7NOS/c1-6-4-7(11-5-9)2-3-8(6)10/h2-4,10H,1H3S(c1cc(c(cc1)O)C)C#N$ - 0
1813,5,5-trimethylcyclohexane-1,2-dioneC9H14O2154.206310mg1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3O=C1C(CC(CC1=O)(C)C)C$ - 0
182(1H-imidazol-4-yl)methanol--hydrogen chloride (1/1)C4H7ClN2O134.5642 (36.4609+98.1032)10mg1S/C4H6N2O.ClH/c7-2-4-1-5-3-6-4;/h1,3,7H,2H2,(H,5,6);1HCl.[nH]1cnc(c1)CO$ - 0
1833-amino-4-fluorobenzoic acidC7H6FNO2155.126410mg1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)Fc1c(cc(cc1)C(=O)O)N$ - 0
1841-(propan-2-yl)piperazineC7H16N2128.215310mg1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3N1(CCNCC1)C(C)C$ - 0
1854-bromobenzene-1,2-diamineC6H7BrN2187.037210mg1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2Brc1cc(c(cc1)N)N$ - 0
1867-chloro-1H-indazoleC7H5ClN2152.58110mg1S/C7H5ClN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)Clc1c2[nH]ncc2ccc1$ - 0
187(pyridin-4-yl)acetic acid--hydrogen chloride (1/1)C7H8ClNO2173.5969 (36.4609+137.1360)10mg1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1HCl.n1ccc(cc1)CC(=O)O$ - 0
188(1-methyl-1H-pyrazol-5-yl)methanolC5H8N2O112.129810mg1S/C5H8N2O/c1-7-5(4-8)2-3-6-7/h2-3,8H,4H2,1H3[n]1(nccc1CO)C$ - 0
1893-methyl-1-(4-methylphenyl)-1H-pyrazol-5-amineC11H13N3187.24110mg1S/C11H13N3/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3[n]2(nc(cc2N)C)c1ccc(cc1)C$ - 0
1902-(chloromethyl)-1-methyl-1H-benzimidazoleC9H9ClN2180.634210mg1S/C9H9ClN2/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3ClCc1[n](c2c(n1)cccc2)C$ - 0
1911,3-thiazole-4-carbaldehydeC4H3NOS113.1377250mg1S/C4H3NOS/c6-1-4-2-7-3-5-4/h1-3H[s]1cnc(c1)C=O$ - 0
1921-hexylpiperazineC10H22N2170.295110mg1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3N1(CCNCC1)CCCCCC$ - 0
1933-(chloromethyl)benzonitrileC8H6ClN151.592910mg1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2ClCc1cc(ccc1)C#N$ - 0
1943-phenyl-1,3-thiazolidine-2,4-dioneC9H7NO2S193.222410mg1S/C9H7NO2S/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h1-5H,6H2S1CC(=O)N(C1=O)c2ccccc2$ - 0
1953-(oxolan-2-yl)propanoic acidC7H12O3144.168410mg1S/C7H12O3/c8-7(9)4-3-6-2-1-5-10-6/h6H,1-5H2,(H,8,9)O1C(CCC1)CCC(=O)O$ - 0
1965-ethoxy-1H-benzimidazole-2-thiolC9H10N2OS194.253510mg1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)Sc1[nH]c2c(n1)cc(cc2)OCC$ - 0
197N-methyl-1-(1-methylpiperidin-2-yl)methanamineC8H18N2142.241910mg1S/C8H18N2/c1-9-7-8-5-3-4-6-10(8)2/h8-9H,3-7H2,1-2H3N1(C(CCCC1)CNC)C$ - 0
1984-chloro-2-methoxy-5-methylanilineC8H10ClNO171.624110mg1S/C8H10ClNO/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,10H2,1-2H3Clc1c(cc(c(c1)OC)N)C$ - 0
1997-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrileC7H5N5159.148110mg1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2[n]21nccc2N=CC(=C1N)C#N$ - 0
2002-phenyl-1H-imidazole-4-carboxylic acidC10H8N2O2188.182710mg1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)[nH]1c(nc(c1)C(=O)O)c2ccccc2$ - 0
2014-bromo-3-methyl-1,2-oxazol-5-amineC4H5BrN2O176.999310mg1S/C4H5BrN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3Brc1c(n[o]c1N)C$ - 0
2025-fluoro-1H-indazole-3-carboxylic acidC8H5FN2O2180.135910mg1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)Fc1cc2c([nH]nc2C(=O)O)cc1$ - 0
203piperidine-2-carboxamideC6H12N2O128.172310mg1S/C6H12N2O/c7-6(9)5-3-1-2-4-8-5/h5,8H,1-4H2,(H2,7,9)N1C(CCCC1)C(=O)N$ - 0
2042-hydroxy-1H-imidazole-4-carboxylic acidC4H4N2O3128.086210mg1S/C4H4N2O3/c7-3(8)2-1-5-4(9)6-2/h1H,(H,7,8)(H2,5,6,9)[nH]1c(nc(c1)C(=O)O)O$ - 0
205N-(5-nitropyridin-2-yl)acetamideC7H7N3O3181.148810mg1S/C7H7N3O3/c1-5(11)9-7-3-2-6(4-8-7)10(12)13/h2-4H,1H3,(H,8,9,11)[N+](=O)([O-])c1cnc(cc1)NC(=O)C$ - 0
206(2,4-difluorophenoxy)acetic acidC8H6F2O3188.128210mg1S/C8H6F2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)Fc1c(ccc(c1)F)OCC(=O)O$ - 0
207N-(3,5-dimethylphenyl)thioureaC9H12N2S180.2710mg1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)S=C(Nc1cc(cc(c1)C)C)N$ - 0
2084,5-dimethoxy-2,3-dihydro-1H-inden-1-oneC11H12O3192.211210mg1S/C11H12O3/c1-13-10-6-4-7-8(11(10)14-2)3-5-9(7)12/h4,6H,3,5H2,1-2H3O(C)c1c2c(ccc1OC)C(=O)CC2$ - 0
209N-(cyclohexylmethyl)ethanamineC9H19N141.253910mg1S/C9H19N/c1-2-10-8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3N(CC1CCCCC1)CC$ - 0
2106-ethyl-1,3-benzothiazol-2-amineC9H10N2S178.254110mg1S/C9H10N2S/c1-2-6-3-4-7-8(5-6)12-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)[s]1c2c(nc1N)ccc(c2)CC$ - 0
2112-aminothiophene-3-carbonitrileC5H4N2S124.163710mg1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2[s]1c(c(cc1)C#N)N$ - 0
2123-chloro-2-fluoroanilineC6H5ClFN145.56210mg1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2Fc1c(cccc1N)Cl$ - 0
2135-chloro-2-hydroxybenzonitrileC7H4ClNO153.565810mg1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10HClc1cc(c(cc1)O)C#N$ - 0
2141-(4-hydroxyphenyl)hexan-1-oneC12H16O2192.254210mg1S/C12H16O2/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3Oc1ccc(cc1)C(=O)CCCCC$ - 0
2151,1'-(piperazine-1,4-diyl)di(prop-2-en-1-one)C10H14N2O2194.230410mg1S/C10H14N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-4H,1-2,5-8H2N1(CCN(CC1)C(=O)C=C)C(=O)C=C$ - 0
216methyl 1,1-dioxo-2,5-dihydro-1H-1lambda~6~-thiophene-3-carboxylateC6H8O4S176.190310mg1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3[S]1(=O)(=O)CC(=CC1)C(=O)OC$ - 0
2172-hydroxy-1H-benzimidazole-6-carboxylic acidC8H6N2O3178.144810mg1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)[nH]1c2c(nc1O)ccc(c2)C(=O)O$ - 0
2182-amino-1,3-thiazole-5-carbonitrileC4H3N3S125.151710mg1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)[s]1c(ncc1C#N)N$ - 0
219N,N-dimethyl-3-(piperazin-1-yl)propan-1-amineC9H21N3171.283110mg1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3N1(CCNCC1)CCCN(C)C$ - 0
2201-butylpiperazineC8H18N2142.241910mg1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3N1(CCNCC1)CCCC$ - 0
2214-chloro-1H-pyrrole-2-carboxylic acidC5H4ClNO2145.543810mg1S/C5H4ClNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)Clc1c[nH]c(c1)C(=O)O$ - 0
2222-bromo-4,6-dimethylanilineC8H10BrN200.075710mg1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3Brc1c(c(cc(c1)C)C)N$ - 0
2232-chloro-3-(1H-pyrrol-1-yl)pyridineC9H7ClN2178.618310mg1S/C9H7ClN2/c10-9-8(4-3-5-11-9)12-6-1-2-7-12/h1-7HClc1ncccc1[n]2cccc2$ - 0
2245-chloro-2-nitropyridineC5H3ClN2O2158.542510mg1S/C5H3ClN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3HClc1cnc(cc1)[N+](=O)[O-]$ - 0
2255-bromothiophene-2-carbonitrileC5H2BrNS188.045110mg1S/C5H2BrNS/c6-5-2-1-4(3-7)8-5/h1-2H[s]1c(ccc1C#N)Br$ - 0
2263-cyclopropyl-1-methyl-1H-pyrazol-5-amineC7H11N3137.182310mg1S/C7H11N3/c1-10-7(8)4-6(9-10)5-2-3-5/h4-5H,2-3,8H2,1H3[n]1(nc(cc1N)C2CC2)C$ - 0
2275-chloro-1H-indole-3-carbaldehydeC9H6ClNO179.60310mg1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11HClc1cc2c([nH]cc2C=O)cc1$ - 0
2282-methoxypyridin-3-amineC6H8N2O124.140510mg1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3Nc1c(nccc1)OC$ - 0
2295-(2-chloroethyl)-2H-tetrazoleC3H5ClN4132.551610mg1S/C3H5ClN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)ClCCc1n[nH]nn1$ - 0
230(5-methoxy-1H-indol-3-yl)acetonitrileC11H10N2O186.209910mg1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3[nH]1c2c(c(c1)CC#N)cc(cc2)OC$ - 0
231N-acetylglycylglycineC6H10N2O4174.154610mg1S/C6H10N2O4/c1-4(9)7-2-5(10)8-3-6(11)12/h2-3H2,1H3,(H,7,9)(H,8,10)(H,11,12)N(CC(=O)NCC(=O)O)C(=O)C$ - 0
2322-(methylamino)-1-(pyrrolidin-1-yl)ethan-1-oneC7H14N2O142.198910mg1S/C7H14N2O/c1-8-6-7(10)9-4-2-3-5-9/h8H,2-6H2,1H3N1(CCCC1)C(=O)CNC$ - 0
2334-(chloromethyl)pyridine--hydrogen chloride (1/1)C6H7Cl2N164.0325 (127.5715+36.4609)10mg1S/C6H6ClN.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1HClCc1ccncc1.Cl$ - 0
2345-chloroquinazolin-4-olC8H5ClN2O180.591110mg1S/C8H5ClN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)Clc1c2c(ncnc2O)ccc1$ - 0
2353-(3-chloro-1,2-oxazol-5-yl)propanoic acidC6H6ClNO3175.569710mg1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)Clc1n[o]c(c1)CCC(=O)O$ - 0
2366-(dimethylamino)-2-fluoro-3-formylbenzonitrileC10H9FN2O192.189710mg1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3Fc1c(ccc(c1C#N)N(C)C)C=O$ - 0
2373-(4-chlorophenyl)propan-1-olC9H11ClO170.63610mg1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2Clc1ccc(cc1)CCCO$ - 0
2382-methoxy-6-nitrobenzonitrileC8H6N2O3178.144810mg1S/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3[N+](=O)([O-])c1c(c(ccc1)OC)C#N$ - 0
2392-methyl-1,3-thiazole-4-carboxylic acidC5H5NO2S143.163710mg1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)[s]1c(nc(c1)C(=O)O)C$ - 0
2404-methyl-1,3-oxazole-5-carboxylic acidC5H5NO3127.098110mg1S/C5H5NO3/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)n1c[o]c(c1C)C(=O)O$ - 0
2414-(1H-indol-3-yl)butan-2-oneC12H13NO187.237710mg1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3[nH]1c2c(c(c1)CCC(=O)C)cccc2$ - 0
2421,3,2lambda~6~-dioxathiolane-2,2-dioneC2H4O4S124.115810mg1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2[S]1(=O)(=O)OCCO1$ - 0
243methyl piperazine-1-carboxylateC6H12N2O2144.171710mg1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3N1(CCNCC1)C(=O)OC$ - 0
2441-(2-chloroethyl)azepane--hydrogen chloride (1/1)C8H17Cl2N198.1333 (161.6723+36.4609)10mg1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1HClCCN1CCCCCC1.Cl$ - 0
2453-aminothiolan-2-one--hydrogen chloride (1/1)C4H8ClNOS153.6304 (117.1695+36.4609)10mg1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1HS1CCC(C1=O)N.Cl$ - 0
2466-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehydeC6H3ClN2OS186.618810mg1S/C6H3ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-3HS1c2[n](c(c(n2)Cl)C=O)C=C1$ - 0
247N~1~,N~1~-dimethylhexane-1,6-diamineC8H20N2144.257810mg1S/C8H20N2/c1-10(2)8-6-4-3-5-7-9/h3-9H2,1-2H3N(CCCCCCN)(C)C$ - 0
2481-(prop-2-en-1-yl)piperazineC7H14N2126.199510mg1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2N1(CCNCC1)CC=C$ - 0
2494-(difluoromethoxy)benzaldehydeC8H6F2O2172.128810mg1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8HFC(F)Oc1ccc(cc1)C=O$ - 0
2503-thiophen-2-ylserineC7H9NO3S187.216310mg1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)[s]1c(ccc1)C(O)C(N)C(=O)O$ - 0
251pyridin-3-ylboronic acidC5H6BNO2122.917610mg1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9HB(O)(O)c1cnccc1$ - 0
2524-chloro-3-fluoroanilineC6H5ClFN145.56210mg1S/C6H5ClFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2Fc1c(ccc(c1)N)Cl$ - 0
2538-amino-2H-1,4-benzoxazin-3(4H)-oneC8H8N2O2164.161310mg1S/C8H8N2O2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4,9H2,(H,10,11)N1c2c(c(ccc2)N)OCC1=O$ - 0
254(2,6-dimethoxypyridin-3-yl)boronic acidC7H10BNO4182.969610mg1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3B(O)(O)c1c(nc(cc1)OC)OC$ - 0
2552-[(2-methylphenyl)methyl]pyrrolidineC12H17N175.270110mg1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3N1C(CCC1)Cc2c(cccc2)C$ - 0
2561-cyclopentyl-1H-pyrazol-5-amineC8H13N3151.208910mg1S/C8H13N3/c9-8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4,9H2[n]2(nccc2N)C1CCCC1$ - 0
2571-(2-hydroxyethyl)imidazolidine-2-thioneC5H10N2OS146.210710mg1S/C5H10N2OS/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)S=C1N(CCN1)CCO$ - 0
2581-(benzyloxy)-4-methylbenzeneC14H14O198.260410mg1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3O(Cc2ccccc2)c1ccc(cc1)C$ - 0
2594-isocyanobenzonitrileC8H4N2128.130810mg1S/C8H4N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5H[N+](#[C-])c1ccc(cc1)C#N$ - 0
260(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxylic acidC11H16O3196.242910mg1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)/t7-,8+,10+,11-O[C@]21C[C@@]3(C[C@H](C2)C[C@H](C1)C3)C(=O)O$ - 0
2613-(4-methylphenyl)-1H-pyrazole-4-carbaldehydeC11H10N2O186.209910mg1S/C11H10N2O/c1-8-2-4-9(5-3-8)11-10(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)[nH]1nc(c(c1)C=O)c2ccc(cc2)C$ - 0
2624-(2-chloroethyl)-3,5-dimethyl-1H-pyrazoleC7H11ClN2158.628610mg1S/C7H11ClN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)ClCCc1c([nH]nc1C)C$ - 0
2631-(2,4-difluorophenyl)piperazineC10H12F2N2198.212510mg1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2Fc1c(ccc(c1)F)N2CCNCC2$ - 0
2642H-1,3-benzodioxol-5-ylboronic acidC7H7BO4165.939110mg1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2B(O)(O)c1cc2c(cc1)OCO2$ - 0
2651-tert-butyl-3-methyl-1H-pyrazol-5-amineC8H15N3153.224810mg1S/C8H15N3/c1-6-5-7(9)11(10-6)8(2,3)4/h5H,9H2,1-4H3[n]1(nc(cc1N)C)C(C)(C)C$ - 0
2664,5-dihydro-1,3-thiazol-2-amine--hydrogen chloride (1/1)C3H7ClN2S138.6191 (102.1581+36.4609)10mg1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1HS1CCN=C1N.Cl$ - 0
267(4R)-4-(trichloromethyl)oxetan-2-oneC4H3Cl3O2189.424410mg1S/C4H3Cl3O2/c5-4(6,7)2-1-3(8)9-2/h2H,1H2/t2-/m1/s1ClC(Cl)(Cl)[C@@H]1OC(=O)C1$ - 0
2684-(4-fluorophenyl)-1,2-oxazol-5-amineC9H7FN2O178.163110mg1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2Fc1ccc(cc1)c2cn[o]c2N$ - 0
2693-aminothiophene-2-carboxylic acidC5H5NO2S143.163710mg1S/C5H5NO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H,7,8)[s]1c(c(cc1)N)C(=O)O$ - 0
2704,5,6,7-tetrahydro-2,1-benzoxazol-3-amineC7H10N2O138.167110mg1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2Nc1[o]nc2c1CCCC2$ - 0
271prolylalanineC8H14N2O3186.208410mg1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)N1C(CCC1)C(=O)NC(C)C(=O)O$ - 0
2723-bromo-1H-pyrazoleC3H3BrN2146.973310mg1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)Brc1n[nH]cc1$ - 0
273(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acidC7H8O5172.135410mg1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1O[C@H]1[C@@H](C(=O)C=C(C1)C(=O)O)O$ - 0
2741-(piperidin-1-yl)propan-2-olC8H17NO143.226710mg1S/C8H17NO/c1-8(10)7-9-5-3-2-4-6-9/h8,10H,2-7H2,1H3N1(CCCCC1)CC(O)C$ - 0
2758-(trifluoromethyl)-9H-purin-6-amineC6H4F3N5203.124710mg1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)FC(F)(F)c1[nH]c2ncnc(c2n1)N$ - 0
2761-(3-phenylpropyl)piperazineC13H20N2204.311310mg1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2N2(CCNCC2)CCCc1ccccc1$ - 0
2771-(2-bromoethyl)-3-methoxybenzeneC9H11BrO215.08710mg1S/C9H11BrO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6H2,1H3BrCCc1cc(ccc1)OC$ - 0
2781-iodopyrrolidine-2,5-dioneC4H4INO2224.984510mg1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2IN1C(=O)CCC1=O$ - 0
2793-[(2-fluorophenyl)methoxy]benzaldehydeC14H11FO2230.234310mg1S/C14H11FO2/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-9H,10H2Fc1c(cccc1)COc2cc(ccc2)C=O$ - 0
280N-benzyltryptophanamideC18H19N3O293.36310mg1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)[nH]1c2c(c(c1)CC(N)C(=O)NCc3ccccc3)cccc2$ - 0
2811-bromo-4-cyclohexylbenzeneC12H15Br239.151510mg1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2Brc1ccc(cc1)C2CCCCC2$ - 0
2825-bromo-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneC12H5BrO3277.070310mg1S/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5HBrc1cc2c3c(c1)C(=O)OC(=O)c3ccc2$ - 0
283tert-butyl 4-aminopiperidine-1-carboxylateC10H20N2O2200.27810mg1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3N1(CCC(CC1)N)C(=O)OC(C)(C)C$ - 0
284diethyl 1H-pyrazole-3,5-dicarboxylateC9H12N2O4212.202610mg1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)[nH]1nc(cc1C(=O)OCC)C(=O)OCC$ - 0
2851-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acidC11H10BrNO3284.10610mg1S/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)Brc1ccc(cc1)N2CC(CC2=O)C(=O)O$ - 0
286N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]glycinamide--hydrogen chloride (1/1)C12H19ClN2O4290.7433 (36.4609+254.2823)10mg1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1HCl.N(CC(O)c1c(ccc(c1)OC)OC)C(=O)CN$ - 0
2871-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acidC11H10FNO3223.200410mg1S/C11H10FNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)Fc1cc(ccc1)N2CC(CC2=O)C(=O)O$ - 0
288N-(5-bromopyridin-2-yl)acetamideC7H7BrN2O215.047310mg1S/C7H7BrN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)Brc1cnc(cc1)NC(=O)C$ - 0
2895-bromo-2-fluorobenzaldehydeC7H4BrFO203.008510mg1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4HFc1c(cc(cc1)Br)C=O$ - 0
2905-bromopyridine-2-carboxylic acidC6H4BrNO2202.005510mg1S/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)Brc1cnc(cc1)C(=O)O$ - 0
2911-(4-chlorophenyl)pyrrolidine-2,5-dioneC10H8ClNO2209.62910mg1S/C10H8ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-4H,5-6H2Clc1ccc(cc1)N2C(=O)CCC2=O$ - 0
292N~1~-(6-aminohexyl)hexane-1,6-diamineC12H29N3215.378810mg1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2N(CCCCCCN)CCCCCCN$ - 0
2935-bromo-2-hydroxybenzamideC7H6BrNO2216.03210mg1S/C7H6BrNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)Brc1cc(c(cc1)O)C(=O)N$ - 0
2945-[3-(trifluoromethyl)phenyl]furan-2-carbaldehydeC12H7F3O2240.17810mg1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7HFC(F)(F)c1cc(ccc1)c2[o]c(cc2)C=O$ - 0
2956-bromo-2-hydroxyquinoline-4-carboxylic acidC10H6BrNO3268.063510mg1S/C10H6BrNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-4H,(H,12,13)(H,14,15)Brc1cc2c(nc(cc2C(=O)O)O)cc1$ - 0
2964-[2-(morpholin-4-yl)ethoxy]benzoic acidC13H17NO4251.278410mg1S/C13H17NO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H,15,16)N2(CCOCC2)CCOc1ccc(cc1)C(=O)O$ - 0
297[(4-hydroxyquinazolin-2-yl)sulfanyl]acetic acidC10H8N2O3S236.247110mg1S/C10H8N2O3S/c13-8(14)5-16-10-11-7-4-2-1-3-6(7)9(15)12-10/h1-4H,5H2,(H,13,14)(H,11,12,15)S(CC(=O)O)c1nc2c(c(n1)O)cccc2$ - 0
2983-iodo-4,5-dimethoxybenzaldehydeC9H9IO3292.070410mg1S/C9H9IO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3Ic1c(c(cc(c1)C=O)OC)OC$ - 0
2992-chloro-5-(4H-1,2,4-triazol-4-yl)benzoic acidC9H6ClN3O2223.615810mg1S/C9H6ClN3O2/c10-8-2-1-6(3-7(8)9(14)15)13-4-11-12-5-13/h1-5H,(H,14,15)Clc1c(cc(cc1)[n]2cnnc2)C(=O)O$ - 0
300N~1~-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen chloride (1/2)C12H16Cl2N2259.1748 (36.4609+36.4609+186.2530)10mg1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1HCl.Cl.N(CCN)c1c2c(ccc1)cccc2$ - 0
3014-iodo-3,5-dimethyl-1H-pyrazoleC5H7IN2222.026910mg1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)Ic1c([nH]nc1C)C$ - 0
3024-(4-fluoroanilino)-4-oxobutanoic acidC10H10FNO3211.189710mg1S/C10H10FNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)Fc1ccc(cc1)NC(=O)CCC(=O)O$ - 0
3037-oxo-7H-benzo[e]perimidine-4-carboxylic acidC16H8N2O3276.246310mg1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)n1c2c3c(nc1)c4c(cccc4)C(=O)c3ccc2C(=O)O$ - 0
3041-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acidC13H15NO3233.263110mg1S/C13H15NO3/c1-9-2-4-10(5-3-9)7-14-8-11(13(16)17)6-12(14)15/h2-5,11H,6-8H2,1H3,(H,16,17)N2(CC(CC2=O)C(=O)O)Cc1ccc(cc1)C$ - 0
305N-ethyl-N,N'-diphenylureaC15H16N2O240.300310mg1S/C15H16N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,16,18)N(CC)(c2ccccc2)C(=O)Nc1ccccc1$ - 0
3061-aminopyridin-1-ium iodideC5H7IN2222.0269 (126.9050+95.1219)10mg1S/C5H7N2.HI/c6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1[I-].[n+]1(ccccc1)N$ - 0
307N-{[(9H-fluoren-9-yl)methoxy]carbonyl}glycineC17H15NO4297.305310mg1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)N(CC(=O)O)C(=O)OCC1c2c(cccc2)c3c1cccc3$ - 0
3084-hydroxy-7,8-dimethylquinoline-3-carboxylic acidC12H11NO3217.220610mg1S/C12H11NO3/c1-6-3-4-8-10(7(6)2)13-5-9(11(8)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)n1c2c(c(c(c1)C(=O)O)O)ccc(c2C)C$ - 0
3091-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acidC10H11NO4209.198610mg1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)N2(CC(CC2=O)C(=O)O)Cc1[o]ccc1$ - 0
3104-chloro-1-(4-methoxyphenyl)butan-1-oneC11H13ClO2212.672710mg1S/C11H13ClO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3ClCCCC(=O)c1ccc(cc1)OC$ - 0
311N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamideC14H18N2O2246.304910mg1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)N2(CCCC2=O)CC(=O)Nc1c(cccc1C)C$ - 0
3122-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamideC13H11ClN2O2262.691610mg1S/C13H11ClN2O2/c1-18-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)Clc1ncccc1C(=O)Nc2ccc(cc2)OC$ - 0
3136-iodo-7H-purineC5H3IN4246.008610mg1S/C5H3IN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)Ic1ncnc2nc[nH]c21$ - 0
3142-bromo-N-(2-phenylethyl)acetamideC10H12BrNO242.112410mg1S/C10H12BrNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)BrCC(=O)NCCc1ccccc1$ - 0
3154-[(4-methylpiperazin-1-yl)methyl]anilineC12H19N3205.299410mg1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10,13H2,1H3N2(CCN(CC2)C)Cc1ccc(cc1)N$ - 0
3162-[(4-chlorophenyl)sulfanyl]propanoic acidC9H9ClO2S216.684610mg1S/C9H9ClO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)S(C(C)C(=O)O)c1ccc(cc1)Cl$ - 0
3178-bromo-4-hydroxyquinoline-3-carboxylic acidC10H6BrNO3268.063510mg1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)Brc1c2ncc(c(c2ccc1)O)C(=O)O$ - 0
3184-(1H-indol-3-yl)-4-oxobutanoic acidC12H11NO3217.220610mg1S/C12H11NO3/c14-11(5-6-12(15)16)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6H2,(H,15,16)[nH]1c2c(c(c1)C(=O)CCC(=O)O)cccc2$ - 0
3191-benzyl-4-bromobenzeneC13H11Br247.130410mg1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2Brc1ccc(cc1)Cc2ccccc2$ - 0
320[(2-oxo-2-phenylethyl)sulfanyl]acetic acidC10H10O3S210.249610mg1S/C10H10O3S/c11-9(6-14-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)S(CC(=O)O)CC(=O)c1ccccc1$ - 0
3213-bromo-N,N,N-trimethylpropan-1-aminium bromideC6H15Br2N260.9980 (79.9045+181.0935)10mg1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1[Br-].BrCCC[N+](C)(C)C$ - 0
3223-chloropropyl 4-methylbenzene-1-sulfonateC10H13ClO3S248.726410mg1S/C10H13ClO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3[S](=O)(=O)(OCCCCl)c1ccc(cc1)C$ - 0
3234,5-dimethoxy-2-nitrobenzonitrileC9H8N2O4208.170810mg1S/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3[N+](=O)([O-])c1c(cc(c(c1)OC)OC)C#N$ - 0
3243-sulfamoylthiophene-2-carboxylic acidC5H5NO4S2207.227510mg1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)[S](=O)(=O)(N)c1c([s]cc1)C(=O)O$ - 0
3251-(3-bromophenyl)-5-oxopyrrolidine-3-carboxylic acidC11H10BrNO3284.10610mg1S/C11H10BrNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)Brc1cc(ccc1)N2CC(CC2=O)C(=O)O$ - 0
3264-acetamidobenzene-1-sulfonyl azideC8H8N4O3S240.239110mg1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)[S](=O)(=O)(N=[N+]=[N-])c1ccc(cc1)NC(=O)C$ - 0
3273-(bromoacetyl)-2H-1-benzopyran-2-oneC11H7BrO3267.075510mg1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2BrCC(=O)C1=Cc2c(cccc2)OC1=O$ - 0

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