Attachment 1- Required Chemicals List.xlsx
XLSX spreadsheet 1 MB Posted
- Attached to
- ORGANIC CHEMICALS
- Solicitation number
- 1333ND21QNB640302
About this file
This is a request for quotations from the National Institute of Standards and Technology seeking organic chemicals to support its mass spectrometry programs. The RFQ requires quotations by July 22nd for at least 75% of the chemicals listed in an attachment, priced using the unit quantities indicated. Award will be made based on a technically acceptable offer with the lowest aggregate price for a random sample of quoted chemicals. The solicitation is set aside for small businesses and provides delivery terms of FOB Destination. The NAICS code is 325199 and the non-manufacturer rule is waived.
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| File | Type | Posted |
|---|---|---|
| Provisions and Clauses.pdf | ||
| Statement of Requirement ( Final ).pdf |
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Attachment 1
| Structure_ID | CNC_ID | InChIKey (No stereochemistry) | MW | InChIKey | SMILES | InChI | Purity (equal to or greater than) | Unit of Issue | Unit Price |
| 249438251 | 1762262794 | DKJFUZIDAHUIJV | 206.55 | DKJFUZIDAHUIJV-UHFFFAOYSA-N | N#Cc1cc(Cl)nc(C(F)(F)F)c1 | InChI=1S/C7H2ClF3N2/c8-6-2-4(3-12)1-5(13-6)7(9,10)11/h1-2H | 90% | ||
| 339153060 | 1809263481 | MYJLJYSALGARCM | 411.34 | MYJLJYSALGARCM-UHFFFAOYSA-N | Brc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 | InChI=1S/C26H19Br/c27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H | 90% | ||
| 241404103 | 638455288 | AXHUVDDCLKLLFC | 433.55 | AXHUVDDCLKLLFC-UHFFFAOYSA-N | C=CCCCC(CCCC=C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | InChI=1S/C27H31NO4/c1-3-5-11-17-27(25(29)30,18-12-6-4-2)28-26(31)32-19-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h3-4,7-10,13-16,24H,1-2,5-6,11-12,17-19H2,(H,28,31)(H,29,30) | 90% | ||
| 28843282 | 638453042 | NPNNCHCGYDKUTA | 324.42 | NPNNCHCGYDKUTA-UHFFFAOYSA-N | COC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3 | 90% | ||
| 316853699 | 724701032 | BEYHRDFBLQUXIG | 213.64 | BEYHRDFBLQUXIG-UHFFFAOYSA-N | O=C1CC(c2c(F)cccc2Cl)CN1 | InChI=1S/C10H9ClFNO/c11-7-2-1-3-8(12)10(7)6-4-9(14)13-5-6/h1-3,6H,4-5H2,(H,13,14) | 90% | ||
| 28781991 | 517305268 | HUQGLWLBOCSVMD | 123.16 | HUQGLWLBOCSVMD-UHFFFAOYSA-N | Cc1cc(N)nc(N)c1 | InChI=1S/C6H9N3/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3,(H4,7,8,9) | 90% | ||
| 188062334 | 640096538 | CSHIGVLXOXJJMY | 236.45 | CSHIGVLXOXJJMY-UHFFFAOYSA-N | O=C(O)c1ccc(Br)nc1Cl | InChI=1S/C6H3BrClNO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11) | 90% | ||
| 240624659 | 457031318 | GLHXYSFEVOAOSL | 142.2 | GLHXYSFEVOAOSL-UHFFFAOYSA-N | C1CN(C2CNC2)CCO1 | InChI=1S/C7H14N2O/c1-3-10-4-2-9(1)7-5-8-6-7/h7-8H,1-6H2 | 90% | ||
| 117833258 | 3481412652 | FOAOSDYEDASXTN | 138.52 | FOAOSDYEDASXTN-UHFFFAOYSA-N | O=C(O)C1CC1(F)Cl | InChI=1S/C4H4ClFO2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8) | 90% | ||
| 243316749 | 1809258268 | XZXJUWDREBPKRI | 310.92 | XZXJUWDREBPKRI-UHFFFAOYSA-N | O=Cc1cc(Br)cc(I)c1 | InChI=1S/C7H4BrIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H | 90% | ||
| 29085511 | 514455382 | LVNDZUPLJHHVKR | 335.92 | LVNDZUPLJHHVKR-UHFFFAOYSA-N | FC(F)(Br)c1ccc(C(F)(F)Br)cc1 | InChI=1S/C8H4Br2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H | 90% | ||
| 244162370 | 413077761 | PIRDWQBTHFZINC | 193.14 | PIRDWQBTHFZINC-UHFFFAOYSA-N | CNc1ccc(F)c(C(F)(F)F)c1 | InChI=1S/C8H7F4N/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3 | 90% | ||
| 244174171 | 3515237170 | YSHVUTKATXCKBP | 302.03 | YSHVUTKATXCKBP-UHFFFAOYSA-N | OCc1cc(C(F)(F)F)ccc1I | InChI=1S/C8H6F3IO/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-3,13H,4H2 | 90% | ||
| 29088934 | 638391794 | ZISJNXNHJRQYJO | 254.33 | ZISJNXNHJRQYJO-UHFFFAOYSA-N | CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O | InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3 | 90% | ||
| 128223181 | 1762231627 | GJCHFNVRRQTXHL | 227.93 | GJCHFNVRRQTXHL-UHFFFAOYSA-N | BrCC1(CBr)CC1 | InChI=1S/C5H8Br2/c6-3-5(4-7)1-2-5/h1-4H2 | 90% | ||
| 116553121 | 329152875 | HBCBLDVYTZWYLL | 297.92 | HBCBLDVYTZWYLL-UHFFFAOYSA-N | Nc1ccc(I)c(Br)c1 | InChI=1S/C6H5BrIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 | 90% | ||
| 28927158 | 413216030 | TXXWSOKUXUMWRZ | 154.21 | TXXWSOKUXUMWRZ-UHFFFAOYSA-N | CCOC(=O)C=C1CCCC1 | InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3 | 90% | ||
| 27277989 | 371598184 | WWHJLVMBXXXUFO | 186.64 | WWHJLVMBXXXUFO-UHFFFAOYSA-N | COc1ccc(CCl)cc1OC | InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3 | 90% | ||
| 37438039 | 321848677 | LAXXXFLVHDQNLA | 168.63 | LAXXXFLVHDQNLA-UHFFFAOYSA-N | Cc1nc(Cl)c2c(n1)CCC2 | InChI=1S/C8H9ClN2/c1-5-10-7-4-2-3-6(7)8(9)11-5/h2-4H2,1H3 | 90% | ||
| 135992684 | 465750299 | YFRBKEVUUCQYOW | 377.49 | YFRBKEVUUCQYOW-UHFFFAOYSA-N | O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 | InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2 | 90% | ||
| 407814010 | 1762311121 | GHEFZYZTGHKBBI | 247.06 | GHEFZYZTGHKBBI-UHFFFAOYSA-N | COC(=O)c1cc(CBr)ccc1F | InChI=1S/C9H8BrFO2/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4H,5H2,1H3 | 90% | ||
| 151858824 | 371383272 | KOMFNSXHHNSAFR | 268.13 | KOMFNSXHHNSAFR-UHFFFAOYSA-N | O=Cc1csc(-c2ccc(Br)cc2)n1 | InChI=1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H | 90% | ||
| 70744649 | 457032465 | MLKZSLFDXAYSHO | 151.16 | MLKZSLFDXAYSHO-UHFFFAOYSA-N | NCC(=O)c1ccc(O)cc1 | InChI=1S/C8H9NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5,9H2 | 90% | ||
| 28808422 | 371599717 | RHQSBXZVIMBYKW | 406.42 | RHQSBXZVIMBYKW-UHFFFAOYSA-N | O=P(Cl)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl | InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H | 90% | ||
| 250704482 | 448433781 | FZQOFIVDXNZKTJ | 221.01 | FZQOFIVDXNZKTJ-UHFFFAOYSA-N | O=C(Cl)c1ccc(F)c(C(=O)Cl)c1 | InChI=1S/C8H3Cl2FO2/c9-7(12)4-1-2-6(11)5(3-4)8(10)13/h1-3H | 90% | ||
| 234767115 | 947322425 | PRJBXUBPUYNFQF | 267.04 | PRJBXUBPUYNFQF-UHFFFAOYSA-N | FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 | InChI=1S/C9H3Cl2F3N2/c10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7/h1-3H | 90% | ||
| 188062384 | 465084575 | YWBDBLXIRAQZIH | 283.84 | YWBDBLXIRAQZIH-UHFFFAOYSA-N | C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21 | InChI=1S/C12H18ClN3OSi/c1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16/h4-5,8H,6-7,9H2,1-3H3 | 90% | ||
| 112859676 | 371383321 | SZKBLRSZGQAWBA | 150.18 | SZKBLRSZGQAWBA-UHFFFAOYSA-N | COc1ccccc1C(=N)N | InChI=1S/C8H10N2O/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H3,9,10) | 90% | ||
| 243590334 | 448430870 | GJLIPAZOKHTKBR | 135.99 | GJLIPAZOKHTKBR-UHFFFAOYSA-N | BrC1CNC1 | InChI=1S/C3H6BrN/c4-3-1-5-2-3/h3,5H,1-2H2 | 90% | ||
| 180936482 | 1762268252 | GUCOEKKQKHACCX | 299.89 | GUCOEKKQKHACCX-UHFFFAOYSA-N | Oc1ncc(I)cc1Br | InChI=1S/C5H3BrINO/c6-4-1-3(7)2-8-5(4)9/h1-2H,(H,8,9) | 90% | ||
| 308304642 | 448438230 | DSJLGFMRGIJMJK | 215.02 | DSJLGFMRGIJMJK-UHFFFAOYSA-N | Fc1ccc2[nH]ncc2c1Br | InChI=1S/C7H4BrFN2/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,(H,10,11) | 90% | ||
| 29532346 | 509447831 | IWKXDMQDITUYRK | 266.26 | IWKXDMQDITUYRK-KUBHLMPHSA-N | OC[C@H]1N[C@@H](c2c[nH]c3c(O)ncnc23)[C@H](O)[C@@H]1O | InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 | 90% | ||
| 29526024 | 3486134429 | IJWPAFMIFNSIGD | 361.39 | IJWPAFMIFNSIGD-UHFFFAOYSA-N | CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O | InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23) | 90% | ||
| 243753595 | 2477292777 | WFIFISZIQCYPCA | 128.17 | WFIFISZIQCYPCA-UHFFFAOYSA-N | CN(C)C(=O)C1CNC1 | InChI=1S/C6H12N2O/c1-8(2)6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3 | 90% | ||
| 244320610 | 428293582 | MMRSDRAYRVDTJH | 162.16 | MMRSDRAYRVDTJH-UHFFFAOYSA-N | COC(=O)C1(F)CCOCC1 | InChI=1S/C7H11FO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5H2,1H3 | 90% | ||
| 243590325 | 457030173 | GAXJNXCLEVZPFX | 91.54 | GAXJNXCLEVZPFX-UHFFFAOYSA-N | ClC1CNC1 | InChI=1S/C3H6ClN/c4-3-1-5-2-3/h3,5H,1-2H2 | 90% | ||
| 300837886 | 1843758303 | VMNYMIKGYQYJHK | 188.64 | VMNYMIKGYQYJHK-UHFFFAOYSA-N | CSc1ncc(C=O)c(Cl)n1 | InChI=1S/C6H5ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3 | 90% | ||
| 243753602 | 390218297 | IEZPZICUISHPCM | 128.17 | IEZPZICUISHPCM-UHFFFAOYSA-N | CC(=O)N(C)C1CNC1 | InChI=1S/C6H12N2O/c1-5(9)8(2)6-3-7-4-6/h6-7H,3-4H2,1-2H3 | 90% | ||
| 240626313 | 390217256 | YXRHIFORQJRTTA | 170.57 | YXRHIFORQJRTTA-UHFFFAOYSA-N | Fc1cnc2[nH]ccc2c1Cl | InChI=1S/C7H4ClFN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-3H,(H,10,11) | 90% | ||
| 244807184 | 1843699250 | JYAUQLBWOPEZFN | 279.47 | JYAUQLBWOPEZFN-UHFFFAOYSA-N | Clc1cnc2[nH]cc(I)c2n1 | InChI=1S/C6H3ClIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10) | 90% | ||
| 336607603 | 2477293140 | QIPKJJHSPMUFFY | 147.18 | QIPKJJHSPMUFFY-UHFFFAOYSA-N | NCc1cnc2[nH]ccc2c1 | InChI=1S/C8H9N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,5H,4,9H2,(H,10,11) | 90% | ||
| 326450200 | 388708769 | PEVCDMDOTQHPPL | 419.63 | PEVCDMDOTQHPPL-UHFFFAOYSA-N | O=S(=O)(c1ccccc1)n1c(I)cc2c(Cl)ncnc21 | InChI=1S/C12H7ClIN3O2S/c13-11-9-6-10(14)17(12(9)16-7-15-11)20(18,19)8-4-2-1-3-5-8/h1-7H | 90% | ||
| 299840487 | 412122214 | IJVQAJHYYRVZNE | 87.12 | IJVQAJHYYRVZNE-UHFFFAOYSA-N | CN1CC(O)C1 | InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3 | 90% | ||
| 41342407 | 371478243 | UPLGQRHDYAHDRC | 152.2 | UPLGQRHDYAHDRC-UHFFFAOYSA-N | COc1cccc(CNN)c1 | InChI=1S/C8H12N2O/c1-11-8-4-2-3-7(5-8)6-10-9/h2-5,10H,6,9H2,1H3 | 90% | ||
| 152120852 | 443542642 | XDWXXCFPUDFKBE | 123.16 | XDWXXCFPUDFKBE-UHFFFAOYSA-N | NNCc1ccccn1 | InChI=1S/C6H9N3/c7-9-5-6-3-1-2-4-8-6/h1-4,9H,5,7H2 | 90% | ||
| 249444182 | 1762284146 | MMDQFYIMUCGXIW | 213.65 | MMDQFYIMUCGXIW-UHFFFAOYSA-N | O=C(O)c1cccc2nc(Cl)sc12 | InChI=1S/C8H4ClNO2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H,11,12) | 90% | ||
| 28788003 | 1809256398 | NCPNJBWUNXRYGW | 199.44 | NCPNJBWUNXRYGW-UHFFFAOYSA-N | Fc1c(Cl)cc(Cl)cc1Cl | InChI=1S/C6H2Cl3F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H | 90% | ||
| 243842051 | 1827718013 | XJDPGQHSQGMWEV | 243.49 | XJDPGQHSQGMWEV-UHFFFAOYSA-N | Clc1ncc2c(Br)cccc2n1 | InChI=1S/C8H4BrClN2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H | 90% | ||
| 100710686 | 3515325780 | RHRRKORKKIVAGJ | 257 | RHRRKORKKIVAGJ-UHFFFAOYSA-N | Oc1cc(OC(F)(F)F)ccc1Br | InChI=1S/C7H4BrF3O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H | 90% | ||
| 243477290 | 2477272415 | FKGQJUAOTNPVFD | 210.03 | FKGQJUAOTNPVFD-UHFFFAOYSA-N | N#Cc1cc(Br)cc(C=O)c1 | InChI=1S/C8H4BrNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H | 90% | ||
| 244495319 | 1762249653 | MGXZKAYHSITHMW | 408.28 | MGXZKAYHSITHMW-UHFFFAOYSA-N | Cc1ccc(I)cc1Cc1ccc(-c2ccc(F)cc2)s1 | InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3 | 90% | ||
| 100710595 | 443542135 | LKKOOHKPOMOOAI | 209.14 | LKKOOHKPOMOOAI-UHFFFAOYSA-N | NCc1ccc(OC(F)(F)F)c(F)c1 | InChI=1S/C8H7F4NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H,4,13H2 | 90% | ||
| 136985511 | 1809264699 | NAWJZCSEYBQUGY | 151.17 | NAWJZCSEYBQUGY-UHFFFAOYSA-N | NC(=O)c1cccc(N)c1N | InChI=1S/C7H9N3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H2,10,11) | 90% | ||
| 180918132 | 2849758351 | DXSHRLNTFMMNIQ | 243.54 | DXSHRLNTFMMNIQ-UHFFFAOYSA-N | O=[N+]([O-])c1cc(Cl)c(F)c(C(F)(F)F)c1 | InChI=1S/C7H2ClF4NO2/c8-5-2-3(13(14)15)1-4(6(5)9)7(10,11)12/h1-2H | 90% | ||
| 117833202 | 443542054 | ILUCOEVDXAZECW | 198.55 | ILUCOEVDXAZECW-UHFFFAOYSA-N | Fc1cccc(Cl)c1C(F)(F)F | InChI=1S/C7H3ClF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H | 90% | ||
| 180918136 | 443542046 | BBEDFMIZRIVTRI | 277.44 | BBEDFMIZRIVTRI-UHFFFAOYSA-N | Fc1c(Cl)cc(Br)cc1C(F)(F)F | InChI=1S/C7H2BrClF4/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H | 90% | ||
| 127634129 | 1703781686 | KSDLYLRIDDWCNS | 250.01 | KSDLYLRIDDWCNS-UHFFFAOYSA-N | O=Cc1cc(F)ccc1I | InChI=1S/C7H4FIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H | 90% | ||
| 28826589 | 517309363 | DFWFGNCVGITLCM | 278.05 | DFWFGNCVGITLCM-UHFFFAOYSA-N | Cc1cc([N+](=O)[O-])cc(I)c1N | InChI=1S/C7H7IN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3 | 90% | ||
| 28986770 | 1842714527 | FPJOBRDFPQKHLI | 207.48 | FPJOBRDFPQKHLI-UHFFFAOYSA-N | O=S(=O)(Cl)CCBr | InChI=1S/C2H4BrClO2S/c3-1-2-7(4,5)6/h1-2H2 | 90% | ||
| 159321594 | 2737450891 | CSPJUZSNJFANNU | 200.28 | CSPJUZSNJFANNU-UHFFFAOYSA-N | CC(C)(C)OC(=O)NCCC1CNC1 | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13) | 90% | ||
| 28901719 | 1762306898 | DTETYCNJKAUROO | 115.09 | DTETYCNJKAUROO-REOHCLBHSA-N | C[C@@H]1NC(=O)OC1=O | InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m0/s1 | 90% | ||
| 311477265 | 414275510 | KDFQVEDUSUYBCO | 213.03 | KDFQVEDUSUYBCO-UHFFFAOYSA-N | N#Cc1cnn2c(Cl)cc(Cl)nc12 | InChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H | 90% | ||
| 70581749 | 1762272160 | LNFVQIGQENWZQN | 152.19 | LNFVQIGQENWZQN-UHFFFAOYSA-N | CC(C)c1ccc(O)cc1O | InChI=1S/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3 | 90% | ||
| 249438203 | 388708560 | BTSMTJZXDAFYOI | 175.64 | BTSMTJZXDAFYOI-UHFFFAOYSA-N | Clc1nc2c(s1)COCC2 | InChI=1S/C6H6ClNOS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2 | 90% | ||
| 321702299 | 517310768 | IOOXDBPYLFQAQH | 240.98 | IOOXDBPYLFQAQH-UHFFFAOYSA-N | Fc1cncc(F)c1I | InChI=1S/C5H2F2IN/c6-3-1-9-2-4(7)5(3)8/h1-2H | 90% | ||
| 187846649 | 372911234 | GYCGAPQMEYPDIJ | 117.12 | GYCGAPQMEYPDIJ-UHFFFAOYSA-N | O=C1CCNCC1F | InChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2 | 90% | ||
| 135799091 | 2839771481 | FIRDBEQIJQERSE | 264.18 | FIRDBEQIJQERSE-QPPQHZFASA-N | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)[nH]1 | InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t4-,6-,7-/m1/s1 | 90% | ||
| 183147727 | 371475513 | SLZBOFGNZPNOOK | 114.15 | SLZBOFGNZPNOOK-UHFFFAOYSA-N | NC1CCNC(=O)C1 | InChI=1S/C5H10N2O/c6-4-1-2-7-5(8)3-4/h4H,1-3,6H2,(H,7,8) | 90% | ||
| 68216518 | 1762301072 | ZPTBUEKFZSYXBD | 180.01 | ZPTBUEKFZSYXBD-UHFFFAOYSA-N | Nc1ccc(Cl)c(Cl)c1F | InChI=1S/C6H4Cl2FN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2 | 90% | ||
| 243767979 | 1762259711 | XTVZOIZUAZZTOX | 267.9 | XTVZOIZUAZZTOX-UHFFFAOYSA-N | Clc1nc(Cl)c2c(Br)n[nH]c2n1 | InChI=1S/C5HBrCl2N4/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H,9,10,11,12) | 90% | ||
| 316185902 | 371599767 | NOZCLAVGNUXSGX | 323.92 | NOZCLAVGNUXSGX-UHFFFAOYSA-N | Brc1nccn2c(I)cnc12 | InChI=1S/C6H3BrIN3/c7-5-6-10-3-4(8)11(6)2-1-9-5/h1-3H | 90% | ||
| 128875320 | 413075261 | SZRNPDHDBPGZOA | 280.46 | SZRNPDHDBPGZOA-UHFFFAOYSA-N | Clc1nc(I)nc2nc[nH]c12 | InChI=1S/C5H2ClIN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11) | 90% | ||
| 243324654 | 371598299 | YSEFEUMYRXRNND | 198.66 | YSEFEUMYRXRNND-UHFFFAOYSA-N | Clc1nccnc1N1CCNCC1 | InChI=1S/C8H11ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2 | 90% | ||
| 243753747 | 1762249713 | LTXDXOMHOOIKAB | 329.78 | LTXDXOMHOOIKAB-UHFFFAOYSA-N | CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Cl)ncn1 | InChI=1S/C14H20ClN3O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-7-9(15)16-8-17-10/h7-8H,1-6H3 | 90% | ||
| 68786539 | 1762298188 | CTJSPUFGQNVJJP | 149.19 | CTJSPUFGQNVJJP-UHFFFAOYSA-N | Oc1ccc2c(c1)CCCN2 | InChI=1S/C9H11NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10-11H,1-2,5H2 | 90% | ||
| 70599590 | 372908522 | SRJBDGLSCPDXBL | 221.04 | SRJBDGLSCPDXBL-UHFFFAOYSA-N | CCOC(=O)c1cnc(Cl)nc1Cl | InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3 | 90% | ||
| 130090516 | 1843695466 | RYFSAMIAUWCFNT | 116.14 | RYFSAMIAUWCFNT-UHFFFAOYSA-N | O=C1CCC(F)CC1 | InChI=1S/C6H9FO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2 | 90% | ||
| 117832981 | 3518532062 | GPMCRPWQJBLUIO | 173.55 | GPMCRPWQJBLUIO-UHFFFAOYSA-N | N#Cc1ccc(F)c(Cl)c1F | InChI=1S/C7H2ClF2N/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2H | 90% | ||
| 28847113 | 385975154 | KFPMRYNOEZCHDP | 110.16 | KFPMRYNOEZCHDP-UHFFFAOYSA-N | N#CC1(N)CCCC1 | InChI=1S/C6H10N2/c7-5-6(8)3-1-2-4-6/h1-4,8H2 | 90% | ||
| 70578997 | 428347688 | DMLNXUUGRSBBBR | 178.19 | DMLNXUUGRSBBBR-UHFFFAOYSA-N | CC1(C)Oc2cccnc2NC1=O | InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12) | 90% | ||
| 156504800 | 3134368695 | JDOTVVAIWOCYFL | 182.22 | JDOTVVAIWOCYFL-UHFFFAOYSA-N | CC(C)(C)OC(=O)Nn1cccc1 | InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)10-11-6-4-5-7-11/h4-7H,1-3H3,(H,10,12) | 90% | ||
| 187835523 | 326366426 | IPSIICUFLIHDCA | 204.06 | IPSIICUFLIHDCA-UHFFFAOYSA-N | Clc1nc(Cl)c2c(n1)CNCC2 | InChI=1S/C7H7Cl2N3/c8-6-4-1-2-10-3-5(4)11-7(9)12-6/h10H,1-3H2 | 90% | ||
| 234767155 | 3481235128 | UILXDKCIJUPNOF | 233.01 | UILXDKCIJUPNOF-UHFFFAOYSA-N | O=[N+]([O-])c1cc2c(Cl)nc(Cl)nn2c1 | InChI=1S/C6H2Cl2N4O2/c7-5-4-1-3(12(13)14)2-11(4)10-6(8)9-5/h1-2H | 90% | ||
| 187835516 | 326366405 | VWYTZNPMXYCBPK | 187.04 | VWYTZNPMXYCBPK-UHFFFAOYSA-N | Nc1cccc(Br)c1N | InChI=1S/C6H7BrN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2 | 90% | ||
| 154630549 | 1762249978 | WBOOAXJWGJAIMB | 240.14 | WBOOAXJWGJAIMB-UHFFFAOYSA-N | CC1(C)CCNc2ccc(Br)cc21 | InChI=1S/C11H14BrN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3 | 90% | ||
| 120966513 | 1762285542 | NGQHLYGRTFVUEM | 201.19 | NGQHLYGRTFVUEM-UHFFFAOYSA-N | FC(F)(F)c1ccc2c(c1)CNCC2 | InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2 | 90% | ||
| 243768343 | 1843757227 | XUKQJXYLFMTDNU | 291.76 | XUKQJXYLFMTDNU-UHFFFAOYSA-N | CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 | InChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h4-7H,1-3H3,(H,13,14) | 90% | ||
| 34698859 | 389310920 | UXUZARPLRQRNNX | 285.24 | UXUZARPLRQRNNX-DXTOWSMRSA-N | Nc1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)c2n1 | InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1 | 90% | ||
| 28862388 | 2883423 | ZBQQRPFYLMVOQH | 300.24 | ZBQQRPFYLMVOQH-UHFFFAOYSA-N | CC(C)N(CCOc1ccc(Br)cc1)C(C)C | InChI=1S/C14H22BrNO/c1-11(2)16(12(3)4)9-10-17-14-7-5-13(15)6-8-14/h5-8,11-12H,9-10H2,1-4H3 | 90% | ||
| 187183181 | 1703782032 | NLUJKZOGZQXBJB | 154.12 | NLUJKZOGZQXBJB-UHFFFAOYSA-N | N#Cc1c(N)cc(F)cc1F | InChI=1S/C7H4F2N2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,11H2 | 90% | ||
| 28774955 | 457030914 | AQVKVGOTPBBVMS | 229.92 | AQVKVGOTPBBVMS-UHFFFAOYSA-N | Clc1ccc(C(Cl)Cl)c(Cl)c1 | InChI=1S/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H | 90% | ||
| 244168630 | 371592473 | GXTAPCZZZBYYPK | 237.5 | GXTAPCZZZBYYPK-UHFFFAOYSA-N | Fc1ccc(CCBr)cc1Cl | InChI=1S/C8H7BrClF/c9-4-3-6-1-2-8(11)7(10)5-6/h1-2,5H,3-4H2 | 90% | ||
| 326705559 | 371592393 | GZQKVLNMJUKYHW | 261.04 | GZQKVLNMJUKYHW-UHFFFAOYSA-N | N#CCc1ccc(I)c(F)c1 | InChI=1S/C8H5FIN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2 | 90% | ||
| 326705551 | 1811441770 | CMRUORQQYMIYDF | 280.04 | CMRUORQQYMIYDF-UHFFFAOYSA-N | O=C(O)Cc1ccc(I)c(F)c1 | InChI=1S/C8H6FIO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12) | 90% | ||
| 183975837 | 2477290192 | PLMQGTUDXNINPI | 272.67 | PLMQGTUDXNINPI-UHFFFAOYSA-N | CS(=O)(=O)c1ccc(CCl)c(C(F)(F)F)c1 | InChI=1S/C9H8ClF3O2S/c1-16(14,15)7-3-2-6(5-10)8(4-7)9(11,12)13/h2-4H,5H2,1H3 | 90% | ||
| 100710621 | 3134373931 | AQFVCOVRKUVQTA | 226.58 | AQFVCOVRKUVQTA-UHFFFAOYSA-N | OCc1ccc(Cl)c(OC(F)(F)F)c1 | InChI=1S/C8H6ClF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3,13H,4H2 | 90% | ||
| 31123485 | 1842719134 | CJEGSZFRYLCTLK | 235.03 | CJEGSZFRYLCTLK-UHFFFAOYSA-N | O=C(CBr)c1cc(F)cc(F)c1 | InChI=1S/C8H5BrF2O/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2 | 90% | ||
| 47027375 | 3514453093 | SBWSLWFNEXVAAY | 243.01 | SBWSLWFNEXVAAY-UHFFFAOYSA-N | O=C(Cl)c1ccc(Cl)cc1C(F)(F)F | InChI=1S/C8H3Cl2F3O/c9-4-1-2-5(7(10)14)6(3-4)8(11,12)13/h1-3H | 90% | ||
| 28841221 | 341033510 | ALXSEJVVJNYXOD | 336.72 | ALXSEJVVJNYXOD-UHFFFAOYSA-N | O=S(=O)(Cl)c1ccc(Oc2ccccc2C(F)(F)F)cc1 | InChI=1S/C13H8ClF3O3S/c14-21(18,19)10-7-5-9(6-8-10)20-12-4-2-1-3-11(12)13(15,16)17/h1-8H | 90% | ||
| 243260141 | 371383178 | XJFWLJGWEYXTDT | 260.21 | XJFWLJGWEYXTDT-UHFFFAOYSA-N | O=C1CNCCN1c1cccc(OC(F)(F)F)c1 | InChI=1S/C11H11F3N2O2/c12-11(13,14)18-9-3-1-2-8(6-9)16-5-4-15-7-10(16)17/h1-3,6,15H,4-5,7H2 | 90% | ||
| 30391710 | 398813710 | IDLVQOMJOKNXSL | 180.21 | IDLVQOMJOKNXSL-UHFFFAOYSA-N | CCOC(=O)c1cc(N)cc(N)c1 | InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,10-11H2,1H3 | 90% | ||
| 28813307 | 398813640 | IELBUWARMJVXDU | 302.01 | IELBUWARMJVXDU-UHFFFAOYSA-N | CC(C)(C)OC(=O)C(Br)CCBr | InChI=1S/C8H14Br2O2/c1-8(2,3)12-7(11)6(10)4-5-9/h6H,4-5H2,1-3H3 | 90% | ||
| 326955492 | 640092752 | AUARHFHPKLBXDO | 221 | AUARHFHPKLBXDO-UHFFFAOYSA-N | O=Cc1c(F)cc(F)cc1Br | InChI=1S/C7H3BrF2O/c8-6-1-4(9)2-7(10)5(6)3-11/h1-3H | 90% | ||
| 386017125 | 2849772150 | QHQHALMULRXBKM | 437.28 | QHQHALMULRXBKM-UHFFFAOYSA-N | Ic1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 | InChI=1S/C21H16IN3/c22-20-23-16-25(24-20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H | 90% | ||
| 27681362 | 390217471 | ZCXLAJCAJAMPHC | 330.89 | ZCXLAJCAJAMPHC-UHFFFAOYSA-N | Ic1cncc(I)c1 | InChI=1S/C5H3I2N/c6-4-1-5(7)3-8-2-4/h1-3H | 90% | ||
| 338938269 | 428293034 | YSEAGFBRAQOCFM | 111.15 | YSEAGFBRAQOCFM-UHFFFAOYSA-N | Cn1cnc(CN)c1 | InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3 | 90% | ||
| 292604935 | 1809255943 | MJTPNVWLMZFFIU | 270.99 | MJTPNVWLMZFFIU-UHFFFAOYSA-N | O=[N+]([O-])c1cc(C(F)(F)F)cnc1Br | InChI=1S/C6H2BrF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H | 90% | ||
| 182097662 | 1809259786 | DNFDLCRLLQVUQK | 234.47 | DNFDLCRLLQVUQK-UHFFFAOYSA-N | Clc1ccc2c(Cl)nc(Cl)nc2n1 | InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(9)12-7(10)13-6(3)11-4/h1-2H | 90% | ||
| 53247724 | 389310488 | KTCWXIDJSFQZCV | 354.58 | KTCWXIDJSFQZCV-UHFFFAOYSA-N | CC(C)(C)OC(=O)Nc1ccnc(Cl)c1I | InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(11)7(6)12/h4-5H,1-3H3,(H,13,14,15) | 90% | ||
| 128869220 | 1762245342 | XDXGFTCQRAQEEG | 289.72 | XDXGFTCQRAQEEG-UHFFFAOYSA-N | CCOc1cc2ncc(C#N)c(Cl)c2cc1NC(C)=O | InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19) | 90% | ||
| 117280018 | 3134375815 | ZNOXDBXBFJQERJ | 208.44 | ZNOXDBXBFJQERJ-UHFFFAOYSA-N | [O-][n+]1cc(Br)ccc1Cl | InChI=1S/C5H3BrClNO/c6-4-1-2-5(7)8(9)3-4/h1-3H | 90% | ||
| 326450390 | 947321486 | UEUGYIMGLFJGGX | 245.02 | UEUGYIMGLFJGGX-UHFFFAOYSA-N | Ic1ncnc2[nH]ccc12 | InChI=1S/C6H4IN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10) | 90% | ||
| 326665511 | 371475642 | QLSJCALZHFNFAL | 232.3 | QLSJCALZHFNFAL-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCCC(F)(CN)C1 | InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-6-4-5-11(12,7-13)8-14/h4-8,13H2,1-3H3 | 90% | ||
| 28862402 | 457043031 | VDPKUXGAEQOPME | 298.24 | VDPKUXGAEQOPME-UHFFFAOYSA-N | CCOC(=O)c1ccccc1OS(=O)(=O)C(F)(F)F | InChI=1S/C10H9F3O5S/c1-2-17-9(14)7-5-3-4-6-8(7)18-19(15,16)10(11,12)13/h3-6H,2H2,1H3 | 90% | ||
| 34435961 | 1762300818 | WVFXXOLKYIPCAX | 246.31 | WVFXXOLKYIPCAX-UHFFFAOYSA-N | CCOC(=O)CNCCNC(=O)OC(C)(C)C | InChI=1S/C11H22N2O4/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15) | 90% | ||
| 28862381 | 2883412 | LVMRWJLPIBPOMZ | 223.13 | LVMRWJLPIBPOMZ-UHFFFAOYSA-N | CCSCc1cnc(Cl)nc1Cl | InChI=1S/C7H8Cl2N2S/c1-2-12-4-5-3-10-7(9)11-6(5)8/h3H,2,4H2,1H3 | 90% | ||
| 237235790 | 1762324414 | LEQNUYXXLYRUNY | 194.28 | LEQNUYXXLYRUNY-UHFFFAOYSA-N | Sc1nc(-c2ccncc2)cs1 | InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11) | 90% | ||
| 361599987 | 386054409 | AQLHAAMPLQHZRM | 265.89 | AQLHAAMPLQHZRM-UHFFFAOYSA-N | O=Cc1nc(Br)cnc1Br | InChI=1S/C5H2Br2N2O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H | 90% | ||
| 28902904 | 370310596 | BOIWYTYYWPXGAT | 176.22 | BOIWYTYYWPXGAT-UHFFFAOYSA-N | C=C(C(=O)OCC)c1ccccc1 | InChI=1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3 | 90% | ||
| 243263706 | 1843700117 | ZLKZGKDNYHEPFV | 98.1 | ZLKZGKDNYHEPFV-UHFFFAOYSA-N | NCc1ncco1 | InChI=1S/C4H6N2O/c5-3-4-6-1-2-7-4/h1-2H,3,5H2 | 90% | ||
| 243989386 | 3096279894 | PUUNMOULCTUKSG | 273.07 | PUUNMOULCTUKSG-UHFFFAOYSA-N | O=C1CCc2cc(I)ccc2N1 | InChI=1S/C9H8INO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12) | 90% | ||
| 88119176 | 3515325768 | LWXJFPSARBURQS | 245.02 | LWXJFPSARBURQS-UHFFFAOYSA-N | N#Cc1cc(I)ccc1O | InChI=1S/C7H4INO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H | 90% | ||
| 34701007 | 118889608 | XCGLXUJEPIVZJM | 301.39 | XCGLXUJEPIVZJM-UHFFFAOYSA-N | Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1 | InChI=1S/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3 | 90% | ||
| 120893917 | 3518473479 | JMXUWJPKHDKROF | 263.05 | JMXUWJPKHDKROF-UHFFFAOYSA-N | COC(=O)c1nc(Br)[nH]c1C(=O)OC | InChI=1S/C7H7BrN2O4/c1-13-5(11)3-4(6(12)14-2)10-7(8)9-3/h1-2H3,(H,9,10) | 90% | ||
| 28848750 | 1762256477 | KPAZLWVDWUAYII | 220.74 | KPAZLWVDWUAYII-UHFFFAOYSA-N | CC(C)COC(=O)C(C)(C)CCCCl | InChI=1S/C11H21ClO2/c1-9(2)8-14-10(13)11(3,4)6-5-7-12/h9H,5-8H2,1-4H3 | 90% | ||
| 245063696 | 341033174 | QWIIJVGEBIQHSW | 162.02 | QWIIJVGEBIQHSW-UHFFFAOYSA-N | ClCc1cccnc1Cl | InChI=1S/C6H5Cl2N/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2 | 90% | ||
| 243547701 | 245845910 | RQRMFFGCUUGYPC | 228.34 | RQRMFFGCUUGYPC-UHFFFAOYSA-N | CC(C)(C)OC(=O)NCCC1CCNCC1 | InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15) | 90% | ||
| 184984413 | 457042354 | UHEVNPHRPRHQGH | 178.07 | UHEVNPHRPRHQGH-UHFFFAOYSA-N | BrCC1CCNCC1 | InChI=1S/C6H12BrN/c7-5-6-1-3-8-4-2-6/h6,8H,1-5H2 | 90% | ||
| 258818861 | 457042142 | LZAXVCBLZXZVCK | 322.93 | LZAXVCBLZXZVCK-UHFFFAOYSA-N | Brc1cnc2ccc(I)cn12 | InChI=1S/C7H4BrIN2/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H | 90% | ||
| 68581151 | 2477629098 | VKFSFYVDNIXBMQ | 244.14 | VKFSFYVDNIXBMQ-UHFFFAOYSA-N | NCCCCNc1ccc(Br)cn1 | InChI=1S/C9H14BrN3/c10-8-3-4-9(13-7-8)12-6-2-1-5-11/h3-4,7H,1-2,5-6,11H2,(H,12,13) | 90% | ||
| 67529111 | 1743792464 | LJQFYBCLMVVNAQ | 136.2 | LJQFYBCLMVVNAQ-UHFFFAOYSA-N | NCCc1cccc(N)c1 | InChI=1S/C8H12N2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5,9-10H2 | 90% | ||
| 184984321 | 457041563 | OEWYVHJLQDINFS | 136.2 | OEWYVHJLQDINFS-UHFFFAOYSA-N | NCCc1ccccc1N | InChI=1S/C8H12N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,9-10H2 | 90% | ||
| 28947437 | 457028653 | DURRSEGFTCZKMK | 125.17 | DURRSEGFTCZKMK-UHFFFAOYSA-N | C=CCN1CCCC1=O | InChI=1S/C7H11NO/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2 | 90% | ||
| 316038044 | 3134381161 | LBMYKRXWOHTRIK | 171.24 | LBMYKRXWOHTRIK-UHFFFAOYSA-N | CCOC(=O)C(N)CC1CCC1 | InChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3 | 90% | ||
| 150559357 | 371602225 | SPSXSTDJXLNVJF | 298.77 | SPSXSTDJXLNVJF-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCN(c2nccc(Cl)n2)CC1 | InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-15-5-4-10(14)16-11/h4-5H,6-9H2,1-3H3 | 90% | ||
| 244358709 | 1843703946 | RITZCZHXWUGXCP | 217.66 | RITZCZHXWUGXCP-UHFFFAOYSA-N | COC(CNc1cc(Cl)ncn1)OC | InChI=1S/C8H12ClN3O2/c1-13-8(14-2)4-10-7-3-6(9)11-5-12-7/h3,5,8H,4H2,1-2H3,(H,10,11,12) | 90% | ||
| 243276417 | 371383894 | MSCLVLGMLLYXFV | 188.27 | MSCLVLGMLLYXFV-UHFFFAOYSA-N | CC(N)CCNC(=O)OC(C)(C)C | InChI=1S/C9H20N2O2/c1-7(10)5-6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12) | 90% | ||
| 298901570 | 1762253097 | AFGKBPUFODGXJD | 302.17 | AFGKBPUFODGXJD-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCn2c(cnc2Br)C1 | InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-13-9(15)12/h6H,4-5,7H2,1-3H3 | 90% | ||
| 28804065 | 3513338480 | JNONGIUWXHOEEN | 259.08 | JNONGIUWXHOEEN-UHFFFAOYSA-N | CC(C)OP(=O)(CBr)OC(C)C | InChI=1S/C7H16BrO3P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-7H,5H2,1-4H3 | 90% | ||
| 152357261 | 326364458 | JRDURDSKNUSNRW | 297.92 | JRDURDSKNUSNRW-UHFFFAOYSA-N | Cc1cnc(Br)c(I)c1 | InChI=1S/C6H5BrIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3 | 90% | ||
| 27731177 | 3481451229 | GQGPDDREGSRIRX | 200.62 | GQGPDDREGSRIRX-UHFFFAOYSA-N | O=C(Cl)OCCOc1ccccc1 | InChI=1S/C9H9ClO3/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2 | 90% | ||
| 101380142 | 3481451274 | ZCBWGEKVGZXGBI | 405.68 | ZCBWGEKVGZXGBI-UHFFFAOYSA-N | O=C(O)CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 | InChI=1S/C18H14BrClN2O2/c19-14-4-1-12(2-5-14)18-13(3-10-17(23)24)11-22(21-18)16-8-6-15(20)7-9-16/h1-2,4-9,11H,3,10H2,(H,23,24) | 90% | ||
| 243292788 | 3481451273 | NTDHIBWHDCGFSK | 302.07 | NTDHIBWHDCGFSK-UHFFFAOYSA-N | COC(=O)c1n[nH]c2ccc(I)cc12 | InChI=1S/C9H7IN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12) | 90% | ||
| 53168366 | 3481451272 | NXSXNFISDKPVCF | 431.27 | NXSXNFISDKPVCF-QGZVFWFLSA-N | CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(I)cc1)C(=O)O | InChI=1S/C17H22INO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1 | 90% | ||
| 53168248 | 3481451243 | FGCYUNZSPGBIGH | 235.31 | FGCYUNZSPGBIGH-SECBINFHSA-N | N[C@@H](CC(=O)O)Cc1csc2ccccc12 | InChI=1S/C12H13NO2S/c13-9(6-12(14)15)5-8-7-16-11-4-2-1-3-10(8)11/h1-4,7,9H,5-6,13H2,(H,14,15)/t9-/m1/s1 | 90% | ||
| 28812385 | 1809255961 | ZXTVBLZVILLKPM | 226.1 | ZXTVBLZVILLKPM-UHFFFAOYSA-N | CC(=O)Oc1c(F)c(F)c(F)c(F)c1F | InChI=1S/C8H3F5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3 | 90% | ||
| 35361964 | 110986496 | DNCOUBWXEBETIP | 184.22 | DNCOUBWXEBETIP-UHFFFAOYSA-N | COC(=O)CC(=O)c1cccs1 | InChI=1S/C8H8O3S/c1-11-8(10)5-6(9)7-3-2-4-12-7/h2-4H,5H2,1H3 | 90% | ||
| 28800054 | 3481451208 | KQAHMVLQCSALSX | 262.47 | KQAHMVLQCSALSX-UHFFFAOYSA-N | CCCCCCCCCC[Si](OC)(OC)OC | InChI=1S/C13H30O3Si/c1-5-6-7-8-9-10-11-12-13-17(14-2,15-3)16-4/h5-13H2,1-4H3 | 90% | ||
| 28841222 | 249460454 | PYUKPZBUJCFYRQ | 217.7 | PYUKPZBUJCFYRQ-UHFFFAOYSA-N | NCc1ccc(-c2ccc(Cl)cc2)cc1 | InChI=1S/C13H12ClN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H,9,15H2 | 90% | ||
| 28841216 | 3481451247 | QUVLZOAPMANZQR | 269.71 | QUVLZOAPMANZQR-UHFFFAOYSA-N | O=S(=O)(Cl)c1ccc(Oc2cccnc2)cc1 | InChI=1S/C11H8ClNO3S/c12-17(14,15)11-5-3-9(4-6-11)16-10-2-1-7-13-8-10/h1-8H | 90% | ||
| 28804212 | 3481451325 | DQYKDYVAYNNRER | 288.53 | DQYKDYVAYNNRER-UHFFFAOYSA-N | CC(=O)n1cc(O)c2c(Cl)c(Br)ccc21 | InChI=1S/C10H7BrClNO2/c1-5(14)13-4-8(15)9-7(13)3-2-6(11)10(9)12/h2-4,15H,1H3 | 90% | ||
| 28834122 | 249455480 | JDRTXRTVJTWITJ | 136.2 | JDRTXRTVJTWITJ-UHFFFAOYSA-N | CCCc1cccc(N)n1 | InChI=1S/C8H12N2/c1-2-4-7-5-3-6-8(9)10-7/h3,5-6H,2,4H2,1H3,(H2,9,10) | 90% | ||
| 35362158 | 3481451259 | NVBIVUJFWSTKGZ | 334.83 | NVBIVUJFWSTKGZ-UHFFFAOYSA-N | CCCCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)Cl)c1 | InChI=1S/C13H19ClN2O4S/c1-3-5-8-15-13(17)16-10-6-7-11(20-4-2)12(9-10)21(14,18)19/h6-7,9H,3-5,8H2,1-2H3,(H2,15,16,17) | 90% | ||
| 30023895 | 3481451249 | JNZDYUPZUHCHFK | 148.21 | JNZDYUPZUHCHFK-UHFFFAOYSA-N | c1cncc(C2CCNC2)c1 | InChI=1S/C9H12N2/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-2,4,6,9,11H,3,5,7H2 | 90% | ||
| 40671820 | 326363204 | PQXRHKBSMBRBBW | 405.43 | PQXRHKBSMBRBBW-QFIPXVFZSA-N | O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 | InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1 | 90% | ||
| 28433272 | 3481451246 | JZJBJZHUZJDMMU | 305.12 | JZJBJZHUZJDMMU-VIFPVBQESA-N | N[C@H](CC(=O)O)Cc1ccc(I)cc1 | InChI=1S/C10H12INO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1 | 90% | ||
| 28433255 | 3481451245 | LYHJWUKHUZUWDC | 215.2 | LYHJWUKHUZUWDC-ZETCQYMHSA-N | N[C@H](CC(=O)O)Cc1ccc(F)c(F)c1 | InChI=1S/C10H11F2NO2/c11-8-2-1-6(4-9(8)12)3-7(13)5-10(14)15/h1-2,4,7H,3,5,13H2,(H,14,15)/t7-/m0/s1 | 90% | ||
| 28433180 | 3481451258 | DAUFDZAPQZNOGC | 258.11 | DAUFDZAPQZNOGC-VIFPVBQESA-N | N[C@H](CC(=O)O)Cc1ccc(Br)cc1 | InChI=1S/C10H12BrNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1 | 90% | ||
| 37325525 | 3481451268 | HOQVHRMJXLYZNT | 440.49 | HOQVHRMJXLYZNT-UHFFFAOYSA-N | CC(C)(C)OC(=O)NCCOc1cc(OCCNC(=O)OC(C)(C)C)cc(C(=O)O)c1 | InChI=1S/C21H32N2O8/c1-20(2,3)30-18(26)22-7-9-28-15-11-14(17(24)25)12-16(13-15)29-10-8-23-19(27)31-21(4,5)6/h11-13H,7-10H2,1-6H3,(H,22,26)(H,23,27)(H,24,25) | 90% | ||
| 28833700 | 333209434 | OTXKQKKLEDBPAD | 160.22 | OTXKQKKLEDBPAD-LURJTMIESA-N | CCOC(=O)[C@@H](N)CCCN | InChI=1S/C7H16N2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1 | 90% | ||
| 131640869 | 3185428072 | JCMUOFQHZLPHQP | 289.29 | JCMUOFQHZLPHQP-BQBZGAKWSA-N | CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O | InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 | 90% | ||
| 30177047 | 371380213 | DNDWZFHLZVYOGF | 357.5 | DNDWZFHLZVYOGF-KKUMJFAQSA-N | CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1 | 90% | ||
| 28848768 | 3481451231 | FIKNCGRWSBGBKP | 439.1 | FIKNCGRWSBGBKP-SNVBAGLBSA-N | CC(C)(C)OC(=O)N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O | InChI=1S/C14H17Br2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m1/s1 | 90% | ||
| 28813614 | 3481451202 | GTAAIHRZANUVJS | 288.35 | GTAAIHRZANUVJS-ZDUSSCGKSA-N | Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CC(C)C)ccc12 | InChI=1S/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20)/t13-/m0/s1 | 90% | ||
| 28831880 | 3481451224 | YMMVJNPHWLDKCQ | 413.45 | YMMVJNPHWLDKCQ-AWEZNQCLSA-N | CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 | InChI=1S/C17H23N3O7S/c1-11(21)18-10-28-9-14(19-16(23)27-17(2,3)4)15(22)26-13-7-5-12(6-8-13)20(24)25/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)/t14-/m0/s1 | 90% | ||
| 28809644 | 333211791 | KEULITJLZYZYPU | 420.42 | KEULITJLZYZYPU-AWEZNQCLSA-N | CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O | InChI=1S/C20H24N2O8/c1-20(2,3)29-19(27)21-14(18(26)30-22-15(23)9-10-16(22)24)11-17(25)28-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,27)/t14-/m0/s1 | 90% | ||
| 28831581 | 3481451223 | MLAPMZGXJGUYNO | 366.46 | MLAPMZGXJGUYNO-MRXNPFEDSA-N | CC(C)(C)OC(=O)N[C@@H](CO)CCCCNC(=O)OCc1ccccc1 | InChI=1S/C19H30N2O5/c1-19(2,3)26-18(24)21-16(13-22)11-7-8-12-20-17(23)25-14-15-9-5-4-6-10-15/h4-6,9-10,16,22H,7-8,11-14H2,1-3H3,(H,20,23)(H,21,24)/t16-/m1/s1 | 90% | ||
| 31124080 | 371377654 | JZBHVBQPWXZALQ | 434.45 | JZBHVBQPWXZALQ-FQEVSTJZSA-N | O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 | InChI=1S/C24H22N2O6/c27-21-11-12-22(28)26(21)32-23(29)20-10-5-13-25(20)24(30)31-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19-20H,5,10-14H2/t20-/m0/s1 | 90% | ||
| 129414555 | 947341393 | SCUMWVJJSLLWHQ | 273.73 | SCUMWVJJSLLWHQ-UHFFFAOYSA-N | Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C | InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17) | 90% | ||
| 235284233 | 3480221966 | NNULBSISHYWZJU | 383.41 | NNULBSISHYWZJU-LDYMZIIASA-N | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1 | InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/t8-,11-/m1/s1 | 90% | ||
| 92153741 | 1762268478 | PHEVHIWIKJRWDB | 416.32 | PHEVHIWIKJRWDB-UHFFFAOYSA-N | CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CBr | InChI=1S/C16H19BrFN3O2S/c1-10(2)14-13(9-17)15(11-5-7-12(18)8-6-11)20-16(19-14)21(3)24(4,22)23/h5-8,10H,9H2,1-4H3 | 90% | ||
| 242069750 | 1842713009 | QQBDLJCYGRGAKP | 302.24 | QQBDLJCYGRGAKP-UHFFFAOYSA-N | O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O | InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22) | 90% | ||
| 70235555 | 448429591 | WOIWWYDXDVSWAZ | 435.5 | WOIWWYDXDVSWAZ-RTWAWAEBSA-N | O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1 | InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1 | 90% | ||
| 29491779 | 458926179 | COKMIXFXJJXBQG | 440.61 | COKMIXFXJJXBQG-NRFANRHFSA-N | CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O | InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | 90% | ||
| 28763985 | 1842713500 | BVPWJMCABCPUQY | 373.88 | BVPWJMCABCPUQY-UHFFFAOYSA-N | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25) | 90% | ||
| 28844441 | 321745242 | FLKHVLRENDBIDB | 215.25 | FLKHVLRENDBIDB-UHFFFAOYSA-N | C=CC(=O)OCCOC(=O)NCCCC | InChI=1S/C10H17NO4/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,13) | 90% | ||
| 187835484 | 390216800 | POZFSLLRNAMHBC | 244.48 | POZFSLLRNAMHBC-UHFFFAOYSA-N | Clc1ncnc2cc(Br)cnc12 | InChI=1S/C7H3BrClN3/c8-4-1-5-6(10-2-4)7(9)12-3-11-5/h1-3H | 90% | ||
| 244322125 | 1762294616 | WRGKROVGVSWJMI | 445.91 | WRGKROVGVSWJMI-UHFFFAOYSA-N | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N | InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30) | 90% | ||
| 92417114 | 1762236277 | FICLVQOYKYBXFN | 238.67 | FICLVQOYKYBXFN-VIFPVBQESA-N | N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O | InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1 | 90% | ||
| 113020237 | 314196346 | UJVHVMNGOZXSOZ | 118.14 | UJVHVMNGOZXSOZ-VKHMYHEASA-N | CNC[C@H](N)C(=O)O | InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1 | 90% | ||
| 70578665 | 2030235203 | MOTBXEPLFOLWHZ | 196.46 | MOTBXEPLFOLWHZ-UHFFFAOYSA-N | Nc1cc(Cl)cc(Cl)c1Cl | InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2 | 90% | ||
| 292605312 | 428296361 | WAYSQXHNUWIYPM | 237.08 | WAYSQXHNUWIYPM-UHFFFAOYSA-N | NS(=O)(=O)c1cccc(Br)n1 | InChI=1S/C5H5BrN2O2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H,(H2,7,9,10) | 90% | ||
| 27931284 | 517308191 | USJALFVAJSYMSN | 223.23 | USJALFVAJSYMSN-UHFFFAOYSA-N | O=c1[nH]c2ccccc2c(=O)c2ccccc12 | InChI=1S/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8H,(H,15,17) | 90% | ||
| 28437741 | 497683289 | KPNLMRWITBJHTK | 215.12 | KPNLMRWITBJHTK-UHFFFAOYSA-N | COC(=O)c1nc(O)nc(O)c1[N+](=O)[O-] | InChI=1S/C6H5N3O6/c1-15-5(11)2-3(9(13)14)4(10)8-6(12)7-2/h1H3,(H2,7,8,10,12) | 90% | ||
| 28811752 | 371379272 | HRRYYCWYCMJNGA | 169.18 | HRRYYCWYCMJNGA-UHFFFAOYSA-N | CC(N)(Cc1c[nH]cn1)C(=O)O | InChI=1S/C7H11N3O2/c1-7(8,6(11)12)2-5-3-9-4-10-5/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12) | 90% | ||
| 154602186 | 326366952 | XZJWDIHNMMLGLA | 221.04 | XZJWDIHNMMLGLA-UHFFFAOYSA-N | CC(F)(F)c1ccccc1Br | InChI=1S/C8H7BrF2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3 | 90% | ||
| 244595503 | 245489463 | JEQGBWWBXOGYMZ | 346.22 | JEQGBWWBXOGYMZ-UHFFFAOYSA-N | O=C(NC1(c2ccc(Br)cc2)CC1)OCc1ccccc1 | InChI=1S/C17H16BrNO2/c18-15-8-6-14(7-9-15)17(10-11-17)19-16(20)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20) | 90% | ||
| 311819084 | 1061568334 | OJBWUSKWFSCYOG | 298.14 | OJBWUSKWFSCYOG-UHFFFAOYSA-N | CC(C)(C)OC(=O)n1ncc2cc(Br)cnc21 | InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-7(5-14-15)4-8(12)6-13-9/h4-6H,1-3H3 | 90% | ||
| 312889065 | 3481244030 | ONECIHYIQJRNTP | 141.08 | ONECIHYIQJRNTP-UHFFFAOYSA-N | N#Cc1nc(F)cnc1F | InChI=1S/C5HF2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H | 90% | ||
| 243459497 | 514311030 | RUXGCTDRNQBDSV | 423.05 | RUXGCTDRNQBDSV-UHFFFAOYSA-N | CC(C)(C)OC(=O)n1nc(I)c2cc(Br)ccc21 | InChI=1S/C12H12BrIN2O2/c1-12(2,3)18-11(17)16-9-5-4-7(13)6-8(9)10(14)15-16/h4-6H,1-3H3 | 90% | ||
| 245070379 | 2250394446 | YAQNAQXKZBUKRC | 160.15 | YAQNAQXKZBUKRC-UHFFFAOYSA-N | N#Cc1c[nH]c2cc(F)ccc12 | InChI=1S/C9H5FN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H | 90% | ||
| 28836553 | 443548204 | IPMNLGOBXWTQRV | 143.15 | IPMNLGOBXWTQRV-UHFFFAOYSA-N | N#Cc1ccc(N)c(C#N)c1 | InChI=1S/C8H5N3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3H,11H2 | 90% | ||
| 100710689 | 3514453170 | CIJUAFFSMAKNNH | 163.55 | CIJUAFFSMAKNNH-UHFFFAOYSA-N | Nc1c(F)ccc(Cl)c1F | InChI=1S/C6H4ClF2N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2 | 90% | ||
| 292992088 | 1827719034 | GLUDXCLLUWRJRA | 203.6 | GLUDXCLLUWRJRA-UHFFFAOYSA-N | COC(=O)c1cc(F)c(Cl)cc1N | InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3 | 90% | ||
| 37418312 | 429354314 | ZVYNMBUXCNVMSC | 209 | ZVYNMBUXCNVMSC-UHFFFAOYSA-N | O=C(O)c1cc(Cl)cc(F)c1Cl | InChI=1S/C7H3Cl2FO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,(H,11,12) | 90% | ||
| 28504629 | 490020069 | HFEOLDKRKNUVAD | 315.99 | HFEOLDKRKNUVAD-UHFFFAOYSA-N | COc1ccc2cc(Br)ccc2c1Br | InChI=1S/C11H8Br2O/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3 | 90% | ||
| 70809097 | 939905396 | MTJUOHUSWWHAHJ | 165.14 | MTJUOHUSWWHAHJ-UHFFFAOYSA-N | Fc1ccc2cccnc2c1F | InChI=1S/C9H5F2N/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H | 90% | ||
| 292615486 | 517305656 | FJLIZBBURXQODR | 219.21 | FJLIZBBURXQODR-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CC(F)(C(=O)O)C1 | InChI=1S/C9H14FNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13) | 90% | ||
| 28824733 | 456879549 | KPTUKANGPPVLMD | 189.17 | KPTUKANGPPVLMD-UHFFFAOYSA-N | O=C(O)c1ccnc2c(O)cccc12 | InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14) | 90% | ||
| 243840414 | 429242404 | KXBPUMSPCLLXRZ | 127.19 | KXBPUMSPCLLXRZ-UHFFFAOYSA-N | CC1(C)CNCCC1=O | InChI=1S/C7H13NO/c1-7(2)5-8-4-3-6(7)9/h8H,3-5H2,1-2H3 | 90% | ||
| 30030079 | 390492067 | RMTYJLWDVSGYDC | 154.24 | RMTYJLWDVSGYDC-UHFFFAOYSA-N | CSc1ccc(NN)cc1 | InChI=1S/C7H10N2S/c1-10-7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3 | 90% | ||
| 249439660 | 456785388 | ULSLPPOVDLNXSG | 307.16 | ULSLPPOVDLNXSG-UHFFFAOYSA-N | CCOC(COc1cc(F)ccc1Br)OCC | InChI=1S/C12H16BrFO3/c1-3-15-12(16-4-2)8-17-11-7-9(14)5-6-10(11)13/h5-7,12H,3-4,8H2,1-2H3 | 90% | ||
| 129299872 | 1762278475 | NTMLYGHAJRXVMB | 207 | NTMLYGHAJRXVMB-UHFFFAOYSA-N | Oc1cc(Br)cc(F)c1O | InChI=1S/C6H4BrFO2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H | 90% | ||
| 326692335 | 517313854 | NDXNBYRDDDHFPI | 230.49 | NDXNBYRDDDHFPI-UHFFFAOYSA-N | N#CCc1cc(Br)ccc1Cl | InChI=1S/C8H5BrClN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2 | 90% | ||
| 156504788 | 1762252487 | VORRYOXJWMUREO | 177.12 | VORRYOXJWMUREO-UHFFFAOYSA-N | Nc1ccc(O)cc1C(F)(F)F | InChI=1S/C7H6F3NO/c8-7(9,10)5-3-4(12)1-2-6(5)11/h1-3,12H,11H2 | 90% | ||
| 187622484 | 3518471862 | ZDUWCUXIWRAXLF | 230.09 | ZDUWCUXIWRAXLF-UHFFFAOYSA-N | Oc1nccc2sc(Br)cc12 | InChI=1S/C7H4BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h1-3H,(H,9,10) | 90% | ||
| 148581513 | 638448503 | QYGWJCMCLQAINT | 264.5 | QYGWJCMCLQAINT-VVPTUSLJSA-N | CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1 | InChI=1S/C19H36/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h16-19H,3-15H2,1-2H3/t16-,17-,18-,19- | 90% | ||
| 28526728 | 100877210 | SMLXJWRGAHUNNM | 238.06 | SMLXJWRGAHUNNM-UHFFFAOYSA-N | O=S(=O)(O)c1cncc(Br)c1 | InChI=1S/C5H4BrNO3S/c6-4-1-5(3-7-2-4)11(8,9)10/h1-3H,(H,8,9,10) | 90% | ||
| 30563688 | 517312204 | XPGWFAZUEHWZIR | 184.19 | XPGWFAZUEHWZIR-UHFFFAOYSA-N | CC(C)=C1C(=O)OC(C)(C)OC1=O | InChI=1S/C9H12O4/c1-5(2)6-7(10)12-9(3,4)13-8(6)11/h1-4H3 | 90% | ||
| 242903388 | 939886904 | FOGOQVLUCORCHH | 211.3 | FOGOQVLUCORCHH-UHFFFAOYSA-N | CCCC(C)C(C#N)(CC)C(=O)OCC | InChI=1S/C12H21NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h10H,5-8H2,1-4H3 | 90% | ||
| 128877700 | 457036725 | VENGMROMZOKURN | 446.93 | VENGMROMZOKURN-UHFFFAOYSA-N | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3cc(Cl)ccc32)c(C)c1 | InChI=1S/C26H23ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,28,31) | 90% | ||
| 181081507 | 1809260262 | YJOQUFUSNSCGHN | 215.02 | YJOQUFUSNSCGHN-UHFFFAOYSA-N | Fc1c(Br)ccc2[nH]ncc12 | InChI=1S/C7H4BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11) | 90% | ||
| 244315718 | 3008921794 | HOIZVIAMXIFSDA | 230.09 | HOIZVIAMXIFSDA-UHFFFAOYSA-N | Nc1ncnc2c(Br)csc12 | InChI=1S/C6H4BrN3S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H,(H2,8,9,10) | 90% | ||
| 180692478 | 424846328 | ZPGQYQKSLRERDO | 143.23 | ZPGQYQKSLRERDO-UHFFFAOYSA-N | COCCC1CCNCC1 | InChI=1S/C8H17NO/c1-10-7-4-8-2-5-9-6-3-8/h8-9H,2-7H2,1H3 | 90% | ||
| 243842436 | 1843698579 | LAHMHTLOIHUMFQ | 229.05 | LAHMHTLOIHUMFQ-UHFFFAOYSA-N | Cc1n[nH]c2cc(F)c(Br)cc12 | InChI=1S/C8H6BrFN2/c1-4-5-2-6(9)7(10)3-8(5)12-11-4/h2-3H,1H3,(H,11,12) | 90% | ||
| 326771658 | 1809258529 | LQCFFAGUCURQEC | 269.28 | LQCFFAGUCURQEC-UHFFFAOYSA-N | N=C(N)c1nn(Cc2ccccc2F)c2ncccc12 | InChI=1S/C14H12FN5/c15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17/h1-7H,8H2,(H3,16,17) | 90% | ||
| 128691479 | 443543225 | YESANHMKGXGZLQ | 292.47 | YESANHMKGXGZLQ-UHFFFAOYSA-N | CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)ccnc21 | InChI=1S/C16H25FN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19/h7-13H,1-6H3 | 90% | ||
| 181079819 | 3518476478 | RCWISWVYKNLXHC | 133.15 | RCWISWVYKNLXHC-UHFFFAOYSA-N | Nc1ccnc2[nH]ccc12 | InChI=1S/C7H7N3/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H3,8,9,10) | 90% | ||
| 244172242 | 423890294 | IRWREYGFJOJLFT | 230.49 | IRWREYGFJOJLFT-UHFFFAOYSA-N | Clc1cc2cc[nH]c2cc1Br | InChI=1S/C8H5BrClN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H | 90% | ||
| 181079696 | 1070300893 | JWPFDGDDONIZCT | 210.07 | JWPFDGDDONIZCT-UHFFFAOYSA-N | Cc1cc(Br)cc2[nH]ccc12 | InChI=1S/C9H8BrN/c1-6-4-7(10)5-9-8(6)2-3-11-9/h2-5,11H,1H3 | 90% | ||
| 129256637 | 1809257413 | LHTQHBZJSVUNBG | 214.02 | LHTQHBZJSVUNBG-UHFFFAOYSA-N | Oc1nc2cccc(Br)c2o1 | InChI=1S/C7H4BrNO2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10) | 90% | ||
| 47027476 | 517304114 | RWTCBZZFDKXOLX | 169.13 | RWTCBZZFDKXOLX-UHFFFAOYSA-N | COc1c(F)ccc(C#N)c1F | InChI=1S/C8H5F2NO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,1H3 | 90% | ||
| 70699443 | 443541984 | YJVPZPBQQWYEQD | 197.02 | YJVPZPBQQWYEQD-UHFFFAOYSA-N | N#Cc1ccc(Cl)c(C#N)c1Cl | InChI=1S/C8H2Cl2N2/c9-7-2-1-5(3-11)8(10)6(7)4-12/h1-2H | 90% | ||
| 127637356 | 443541966 | BYIUSPLUNPDMFR | 214.04 | BYIUSPLUNPDMFR-UHFFFAOYSA-N | Cc1cc(Br)c(C#N)cc1F | InChI=1S/C8H5BrFN/c1-5-2-7(9)6(4-11)3-8(5)10/h2-3H,1H3 | 90% | ||
| 371588795 | 443541648 | TWWYCVQUIRYXRE | 319.9 | TWWYCVQUIRYXRE-UHFFFAOYSA-N | FC(F)(F)Oc1ccc(Br)c(Br)c1 | InChI=1S/C7H3Br2F3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H | 90% | ||
| 28792570 | 100616811 | FRSIRCKEPOPEFZ | 194.18 | FRSIRCKEPOPEFZ-UHFFFAOYSA-N | Oc1cccc(SC(F)(F)F)c1 | InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H | 90% | ||
| 28792372 | 1762265388 | YERWBBMSDMSDKT | 144.17 | YERWBBMSDMSDKT-UHFFFAOYSA-N | CCCC(=O)C(=O)OCC | InChI=1S/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3-5H2,1-2H3 | 90% | ||
| 128910933 | 372910688 | LJQJHWZLMLYPJV | 260.11 | LJQJHWZLMLYPJV-UHFFFAOYSA-N | Fc1cc(Br)ccc1N1CCOCC1 | InChI=1S/C10H11BrFNO/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6H2 | 90% | ||
| 181078034 | 372909482 | PONMYPMRWXBYEV | 250.48 | PONMYPMRWXBYEV-UHFFFAOYSA-N | Cc1c(Br)cc(Cl)cc1[N+](=O)[O-] | InChI=1S/C7H5BrClNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3 | 90% | ||
| 299780419 | 388711132 | NLFOHNAFILVHGM | 316.31 | NLFOHNAFILVHGM-AWEZNQCLSA-N | N[C@@H](Cc1ccc(OCc2ccccc2[N+](=O)[O-])cc1)C(=O)O | InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1 | 90% | ||
| 249439662 | 1843698672 | LURQUCAPVCIQML | 169.13 | LURQUCAPVCIQML-UHFFFAOYSA-N | Nc1n[nH]c2cc(F)cc(F)c12 | InChI=1S/C7H5F2N3/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H3,10,11,12) | 90% | ||
| 128325512 | 428007638 | BZAIXEGWNRZEFA | 228.22 | BZAIXEGWNRZEFA-UHFFFAOYSA-N | O=C1c2ccccc2COc2cc(F)ccc21 | InChI=1S/C14H9FO2/c15-10-5-6-12-13(7-10)17-8-9-3-1-2-4-11(9)14(12)16/h1-7H,8H2 | 90% | ||
| 28977151 | 388703304 | MRGOMLFEVPNISR | 172.23 | MRGOMLFEVPNISR-UHFFFAOYSA-N | CC(=O)N1CCN(CCO)CC1 | InChI=1S/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3 | 90% | ||
| 111598212 | 517308126 | AWBLTDFTDYGFGJ | 266.92 | AWBLTDFTDYGFGJ-UHFFFAOYSA-N | Cc1nc(N)c(Br)nc1Br | InChI=1S/C5H5Br2N3/c1-2-3(6)10-4(7)5(8)9-2/h1H3,(H2,8,9) | 90% | ||
| 243443746 | 2476805232 | OGYBDKOCZVSHQI | 268.21 | OGYBDKOCZVSHQI-UHFFFAOYSA-N | CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)O | InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14) | 90% | ||
| 31124302 | 1762261641 | ZQSFLXDMGBSJKV | 259.28 | ZQSFLXDMGBSJKV-UHFFFAOYSA-N | CCOC(=O)c1cc(S(N)(=O)=O)ccc1OC | InChI=1S/C10H13NO5S/c1-3-16-10(12)8-6-7(17(11,13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14) | 90% | ||
| 28786809 | 360884103 | JLDKNVUJLUGIBQ | 171.58 | JLDKNVUJLUGIBQ-UHFFFAOYSA-N | Cc1cccc(Cl)c1[N+](=O)[O-] | InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3 | 90% | ||
| 137315740 | 413071988 | LXZZOYWXUAYAKR | 208.55 | LXZZOYWXUAYAKR-UHFFFAOYSA-N | Nc1c([N+](=O)[O-])cc(F)c(Cl)c1F | InChI=1S/C6H3ClF2N2O2/c7-4-2(8)1-3(11(12)13)6(10)5(4)9/h1H,10H2 | 90% | ||
| 151401808 | 1762262548 | MGBUJACQIBNLAU | 127.12 | MGBUJACQIBNLAU-UHFFFAOYSA-N | Nc1cc(F)cnc1N | InChI=1S/C5H6FN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9) | 90% | ||
| 28926291 | 457041807 | OPPSYCGZHQVDPM | 345.32 | OPPSYCGZHQVDPM-UHFFFAOYSA-N | CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)cc1 | InChI=1S/C20H25Br/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3 | 90% | ||
| 184902794 | 341034227 | XFPXXEIIWWYHTD | 294.14 | XFPXXEIIWWYHTD-UHFFFAOYSA-N | Cc1ccc(-c2ccc(I)cc2)cc1 | InChI=1S/C13H11I/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3 | 90% | ||
| 326704030 | 371592421 | MVSKFYHLLRBZLT | 308.09 | MVSKFYHLLRBZLT-UHFFFAOYSA-N | CCOC(=O)Cc1ccc(I)c(F)c1 | InChI=1S/C10H10FIO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3 | 90% | ||
| 47027554 | 371592404 | VHHNQKBCGYUWAM | 219.59 | VHHNQKBCGYUWAM-UHFFFAOYSA-N | N#CCc1ccc(Cl)c(C(F)(F)F)c1 | InChI=1S/C9H5ClF3N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3H2 | 90% | ||
| 326442058 | 371592300 | PVIZLIZHGMUBAZ | 254.05 | PVIZLIZHGMUBAZ-UHFFFAOYSA-N | NCc1ccc(C(F)(F)F)c(Br)c1 | InChI=1S/C8H7BrF3N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2 | 90% | ||
| 326445545 | 371592296 | FFWRFKCUUIPQPQ | 170.14 | FFWRFKCUUIPQPQ-UHFFFAOYSA-N | NCc1cc([N+](=O)[O-])ccc1F | InChI=1S/C7H7FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,4,9H2 | 90% | ||
| 326442055 | 371592290 | CMZWZSSUCWMZNR | 254.05 | CMZWZSSUCWMZNR-UHFFFAOYSA-N | NCc1cccc(C(F)(F)F)c1Br | InChI=1S/C8H7BrF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2 | 90% | ||
| 117834424 | 370311368 | SHMCOZJMBAPHQC | 250.02 | SHMCOZJMBAPHQC-UHFFFAOYSA-N | N#Cc1c(Br)cccc1C(F)(F)F | InChI=1S/C8H3BrF3N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H | 90% | ||
| 129091808 | 370311209 | ZJZKLBXEGZKOBW | 339.35 | ZJZKLBXEGZKOBW-UHFFFAOYSA-N | CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1 | InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3 | 90% | ||
| 135701610 | 2030216661 | QYGNYHKBMNUIJN | 293.27 | QYGNYHKBMNUIJN-UHFFFAOYSA-N | CCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O | InChI=1S/C15H13F2NO3/c1-2-21-15(20)10-7-18(8-3-4-8)13-6-12(17)11(16)5-9(13)14(10)19/h5-8H,2-4H2,1H3 | 90% | ||
| 28841290 | 1703777735 | PNKKPFLBOWGVSF | 231.73 | PNKKPFLBOWGVSF-UHFFFAOYSA-N | NCC(c1ccccc1)c1ccc(Cl)cc1 | InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2 | 90% | ||
| 77170693 | 457042188 | BNQPGPMRORGVHG | 284.07 | BNQPGPMRORGVHG-UHFFFAOYSA-N | O=S(=O)(O)c1cccc(I)c1 | InChI=1S/C6H5IO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H,8,9,10) | 90% | ||
| 28787521 | 1809263137 | XHIXVZHYFBOAJT | 187.58 | XHIXVZHYFBOAJT-UHFFFAOYSA-N | O=[N+]([O-])c1ccc(CO)c(Cl)c1 | InChI=1S/C7H6ClNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4H2 | 90% | ||
| 182117787 | 409792842 | SKOKKOPKFKENHX | 355.46 | SKOKKOPKFKENHX-UHFFFAOYSA-N | Cc1ccc(S(=O)(=O)OC2CCCN(C(=O)OC(C)(C)C)C2)cc1 | InChI=1S/C17H25NO5S/c1-13-7-9-15(10-8-13)24(20,21)23-14-6-5-11-18(12-14)16(19)22-17(2,3)4/h7-10,14H,5-6,11-12H2,1-4H3 | 90% | ||
| 36064340 | 333204660 | IHGMLLBMNDWLBL | 176.14 | IHGMLLBMNDWLBL-UHFFFAOYSA-N | NCc1cc(C(F)(F)F)ccn1 | InChI=1S/C7H7F3N2/c8-7(9,10)5-1-2-12-6(3-5)4-11/h1-3H,4,11H2 | 90% | ||
| 28841249 | 447917494 | IIPNNQZFBHWKAI | 223.73 | IIPNNQZFBHWKAI-UHFFFAOYSA-N | NCc1ccc(-c2ccc(Cl)cc2)s1 | InChI=1S/C11H10ClNS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2 | 90% | ||
| 28841229 | 517333832 | GYHAMZMWZUSNMQ | 217.7 | GYHAMZMWZUSNMQ-UHFFFAOYSA-N | NCc1ccc(-c2ccccc2Cl)cc1 | InChI=1S/C13H12ClN/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8H,9,15H2 | 90% | ||
| 150972304 | 1762288303 | HTFFABIIOAKIBH | 86.14 | HTFFABIIOAKIBH-UHFFFAOYSA-N | C1CCNNC1 | InChI=1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2 | 90% | ||
| 243260121 | 3074992009 | NNVNNDSFPUBHBM | 354.97 | NNVNNDSFPUBHBM-UHFFFAOYSA-N | CCOC(=O)c1cc(Br)cc(I)c1 | InChI=1S/C9H8BrIO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 | 90% | ||
| 243432866 | 1843701709 | QMIBLRDYVHXODO | 210.66 | QMIBLRDYVHXODO-UHFFFAOYSA-N | O=C1CNCCN1c1ccccc1Cl | InChI=1S/C10H11ClN2O/c11-8-3-1-2-4-9(8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2 | 90% | ||
| 48709231 | 457027300 | NGJQSFABNPLHFX | 255.11 | NGJQSFABNPLHFX-UHFFFAOYSA-N | O=C1CNCCN1c1cccc(Br)c1 | InChI=1S/C10H11BrN2O/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14/h1-3,6,12H,4-5,7H2 | 90% | ||
| 48697885 | 388703691 | QYWNZOFKKFIZAL | 273.13 | QYWNZOFKKFIZAL-UHFFFAOYSA-N | CC(C)(C)OC(=O)Nc1cccnc1Br | InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14) | 90% | ||
| 152442096 | 398813313 | IQHXABCGSFAKPN | 114.15 | IQHXABCGSFAKPN-UHFFFAOYSA-N | NC(=O)C1CCNC1 | InChI=1S/C5H10N2O/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2,(H2,6,8) | 90% | ||
| 28901859 | 1762292190 | SICIPBMLFSQZEQ | 115.13 | SICIPBMLFSQZEQ-UHFFFAOYSA-N | CC(=O)CNC(C)=O | InChI=1S/C5H9NO2/c1-4(7)3-6-5(2)8/h3H2,1-2H3,(H,6,8) | 90% | ||
| 128464496 | 398813235 | URPHLHADYVVAIF | 198.25 | URPHLHADYVVAIF-UHFFFAOYSA-N | CN1CCc2nc(C(=O)O)sc2C1 | InChI=1S/C8H10N2O2S/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12/h2-4H2,1H3,(H,11,12) | 90% | ||
| 35063506 | 14416778 | VCEFNMHMLWBFNV | 234.2 | VCEFNMHMLWBFNV-UHFFFAOYSA-N | O=C(O)c1ccc(-c2cc(F)cc(F)c2)cc1 | InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17) | 90% | ||
| 28665959 | 979588491 | KHOPHTRZCOJGRR | 204.02 | KHOPHTRZCOJGRR-UHFFFAOYSA-N | COc1cc(Br)c[n+]([O-])c1 | InChI=1S/C6H6BrNO2/c1-10-6-2-5(7)3-8(9)4-6/h2-4H,1H3 | 90% | ||
| 40672297 | 385976646 | ZUKYLVHOLKDNGX | 396.28 | ZUKYLVHOLKDNGX-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 | InChI=1S/C18H22BrNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-10-12(19)4-5-15(13)23-18/h4-5,10H,6-9,11H2,1-3H3 | 90% | ||
| 35063473 | 14416728 | DPPNYCACUIUFAY | 301.34 | DPPNYCACUIUFAY-UHFFFAOYSA-N | CC(C)c1c(CO)n(-c2cc(F)cc(F)c2)c2ccccc12 | InChI=1S/C18H17F2NO/c1-11(2)18-15-5-3-4-6-16(15)21(17(18)10-22)14-8-12(19)7-13(20)9-14/h3-9,11,22H,10H2,1-2H3 | 90% | ||
| 119205154 | 1762270144 | WTZQIKXLRRDMCP | 212.09 | WTZQIKXLRRDMCP-UHFFFAOYSA-N | Brc1cccc2c1CCCN2 | InChI=1S/C9H10BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6H2 | 90% | ||
| 88116093 | 385974924 | DXDKVAHRJJAWOH | 236.11 | DXDKVAHRJJAWOH-UHFFFAOYSA-N | N#CC1(c2cccc(Br)c2)CCC1 | InChI=1S/C11H10BrN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6H2 | 90% | ||
| 116553118 | 3001524717 | QVECFWRRZNGQDO | 204.04 | QVECFWRRZNGQDO-UHFFFAOYSA-N | Cc1cc(F)c(N)c(Br)c1 | InChI=1S/C7H7BrFN/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3 | 90% | ||
| 27719488 | 457027190 | BCIIMDOZSUCSEN | 100.17 | BCIIMDOZSUCSEN-UHFFFAOYSA-N | NC1CCNCC1 | InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2 | 90% | ||
| 111877885 | 424845561 | RCQFNQQYVSNBOJ | 181.67 | RCQFNQQYVSNBOJ-UHFFFAOYSA-N | Clc1ccccc1C1CCNC1 | InChI=1S/C10H12ClN/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-4,8,12H,5-7H2 | 90% | ||
| 30428194 | 1762268851 | FZYSZYWKHFCLSF | 128.17 | FZYSZYWKHFCLSF-UHFFFAOYSA-N | CN1CCNC(=O)CC1 | InChI=1S/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9) | 90% | ||
| 243849155 | 245847426 | QXSMFOUJZBBPIV | 143.19 | QXSMFOUJZBBPIV-LURJTMIESA-N | CC(C)N1CC[C@H]1C(=O)O | InChI=1S/C7H13NO2/c1-5(2)8-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1 | 90% | ||
| 243757834 | 245847363 | ZCFMVNLKICQFTI | 379.2 | ZCFMVNLKICQFTI-HUUCEWRRSA-N | OC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(I)cc1 | InChI=1S/C16H14INO2/c17-13-8-6-11(7-9-13)15-14(10-19)18-16(20-15)12-4-2-1-3-5-12/h1-9,14-15,19H,10H2/t14-,15-/m1/s1 | 90% | ||
| 243547739 | 245846932 | QQCYUTXNUGPTAV | 208.15 | QQCYUTXNUGPTAV-UHFFFAOYSA-N | O=[N+]([O-])c1cnc2cc(F)ccc2c1O | InChI=1S/C9H5FN2O3/c10-5-1-2-6-7(3-5)11-4-8(9(6)13)12(14)15/h1-4H,(H,11,13) | 90% | ||
| 243609000 | 245846910 | HHCHNRJQUCGHTO | 207.2 | HHCHNRJQUCGHTO-UHFFFAOYSA-N | O=C1CC(c2cccc(F)c2)CC(=O)N1 | InChI=1S/C11H10FNO2/c12-9-3-1-2-7(4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15) | 90% | ||
| 237949620 | 245846905 | JJYBYHOJUUPWGN | 194.16 | JJYBYHOJUUPWGN-UHFFFAOYSA-N | O=C1CNC(=O)c2cc(F)ccc2N1 | InChI=1S/C9H7FN2O2/c10-5-1-2-7-6(3-5)9(14)11-4-8(13)12-7/h1-3H,4H2,(H,11,14)(H,12,13) | 90% | ||
| 238950977 | 245847617 | YHWRNLFLGWSRMG | 231.2 | YHWRNLFLGWSRMG-UHFFFAOYSA-N | Fc1cccc(-c2nc3cnccc3[nH]2)c1F | InChI=1S/C12H7F2N3/c13-8-3-1-2-7(11(8)14)12-16-9-4-5-15-6-10(9)17-12/h1-6H,(H,16,17) | 90% |
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