Added 206 molecules from epoch 16463 for Q8R090
Browse files- Q8R090_molecules.csv +206 -0
Q8R090_molecules.csv
CHANGED
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@@ -34432,3 +34432,209 @@ rxn:2:149595:108494,,
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| 34432 |
rxn:2:76391:93410,,
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| 34433 |
rxn:2:82054:87473,,
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| 34434 |
rxn:2:84953:120982,,
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| 34432 |
rxn:2:76391:93410,,
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| 34433 |
rxn:2:82054:87473,,
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| 34434 |
rxn:2:84953:120982,,
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| 34435 |
+
0053A178A7732367_357A1E28BC40F848_6041_UN,C[N]1N=C(N=C1NC2(CCOCC2)C3=NN=N[NH]3)C4CCC4,PEFLKRHGLYYOFB-UHFFFAOYSA-N
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| 34436 |
+
05D842CAD7289E70_183A87B29997AEC6_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCC2=CC3=C(C=C2)OCO3)F,ZSQHOMXVGUOPRY-UHFFFAOYSA-N
|
| 34437 |
+
05D842CAD7289E70_A4BA8FA7F09CBDFE_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCC2=CC3=C(C=C2)OCO3)F,ZSQHOMXVGUOPRY-UHFFFAOYSA-N
|
| 34438 |
+
06748C4BE118FF26_0A89638183391EB3_6038_UN,N(C1=C(CCCC1)C#N)C(C3=CC2=C(C)C(=CC=C2[NH]3)F)=O,MWXSZQNALNGJFR-UHFFFAOYSA-N
|
| 34439 |
+
07256DB1A0876315_88E83FD48B943BA4_6041_UN,FC1=CC(=C(C=C1)NCC34CC2CC(CC(C)(C2)C3)(C4)C)F,YPQCURKUTNRSCS-UHFFFAOYSA-N
|
| 34440 |
+
076E22391FA262F8_0FE04D1EE77A735A_6029_UN,N(C2=C1OCCC(C1=CC=C2)=O)[S](C3=CC=CC(=C3C4CC4)F)(=O)=O,CYVHNIIYACZDRQ-UHFFFAOYSA-N
|
| 34441 |
+
0AB6D1A12098DADC_A4EB876E2BA97DBD_6034_UN,NC1=NC(=O)N(C=C1N2CCNCC2)CCC3CCCCN3C,SVOQPDWRNCYILG-UHFFFAOYSA-N
|
| 34442 |
+
0E3CFB78C2326A28_073C7483CC935AE5_6035_UN,O(C(C1CCCCC1)C2CCNCC2)C3=C(CN)C=CC(=C3)F,IKNBLAAYGFCCFD-UHFFFAOYSA-N
|
| 34443 |
+
0E40E3D46C5DD028_867418A87D97B050_6028_UN,N(C1=CC2=C(C=C1)CCOC2=O)[S](C3=NC=C[N]3C4=CC(=CC=C4)Cl)(=O)=O,WODYHAUAGOGTBX-UHFFFAOYSA-N
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| 34444 |
+
11EF5CC147542F8D_E85059BD03E8E7D0_6006_UN,O=[N](=O)C2=C1CCCNC1=C(C=C2)C3=CC=C(C=C3)F,CCVQJZRECAQWMT-UHFFFAOYSA-N
|
| 34445 |
+
13B49923A1F41311_8CC2F08A0D9F4749_6038_UN,O(CC1CC2CCC(C1)[S]2(=O)=O)C(=O)C45CC3CC(CC(F)(C3)C4)C5,CDURBWCZBFICIM-UHFFFAOYSA-N
|
| 34446 |
+
13C1A0D175835FA0_0276B639C1532821_6041_DP,C[N]1C=C(C(=N1)C2CC2)NC3(CCNCC3)C4=N[NH]N=N4,TYQZQOLAGIQZGO-UHFFFAOYSA-N
|
| 34447 |
+
14864AAC5006D234_BDB13205DB0412FC_6029_UN,O=[N](=O)C1=CC2=C(C=C1)OCCN2[S](C4=C3OCCC3=CC(=C4)F)(=O)=O,OGVXQAQYRZNXQD-UHFFFAOYSA-N
|
| 34448 |
+
1486AB40E7C888FD_3BED13042775E9CF_6041_UN,O=[N](=O)C1=CC(=C[NH]1)NCC2=C(C3=C(C=C2)CCCC3)F,QDJSMJPSPDJPOY-UHFFFAOYSA-N
|
| 34449 |
+
1585D8B4CE48E63B_8A7F6CB2510A1CA9_6039_UN,CN(C)CC1(CCCCC1)COCCN2CCSCC2,MMGLWROPQYHSHM-UHFFFAOYSA-N
|
| 34450 |
+
165805D89788D52C_A094D78ADB74901B_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=CC(=C(C)C=C4F)F,IBPSNLFOKIRURT-CZUORRHYSA-N
|
| 34451 |
+
1671D431F6E5ADA4_C5354B6AAD3A3786_6038_UN,N(CC2=CC1=C(C=CC=C1)[NH]2)C(=O)C3=CC=CC(=O)N3O,MQMPYCXKGHHPDZ-UHFFFAOYSA-N
|
| 34452 |
+
1732C49BF93D48D2_318F9FADC09E6A48_6035_UN,NC[C@H]1[C@H](CCC1)OC2=C(C=C(C=C2)Cl)C3CCCCC3,GAIKHVYLKJSQGD-YOEHRIQHSA-N
|
| 34453 |
+
19D46AAB1DD03600_6A0890DC5695ABF6_6034_UN,O=C1C5=C(N=C(N1C[C@H]3[C@H]2CCCC[C@H]2[C@@H]3N)N4CCNCC4)CCCCC5,QKTRKXLZBFRTKY-WQDJSCAQSA-N
|
| 34454 |
+
19E593A656AE631D_4782E8C3BFCA2BE4_6038_UN,N(C1=C(CCCC1)C#N)C(C2=C(C=CC3=C2[N](C)N=C3)F)=O,HAMJQBCQWQHSAT-UHFFFAOYSA-N
|
| 34455 |
+
1A35FA62AAAC1AB9_2F067090E059AA9D_6029_UN,N(C1=CC2=C(C=C1)CCOC2=O)[S](C4=CC3=C(N=C(Cl)C=C3)C(=C4)Cl)(=O)=O,FAEIMWAGSJMCIT-UHFFFAOYSA-N
|
| 34456 |
+
1BDE62164EC94B7A_A64C002B9C5EAA85_6028_UN,N(C1=CC2=C(C=C1)COB2O)[S](C4=NN=C(COC3=C(F)C=CC=C3)[N]4CC=C)(=O)=O,BMYYWBAOGJFPLG-UHFFFAOYSA-N
|
| 34457 |
+
1CB74BF86E860846_D375BA496891B4D2_6038_UN,N(C1=C(CCCC1)C#N)C(CN3C=NC2=C(C=N[N]2C)C3=O)=O,AWIVPMOGMQBRSO-UHFFFAOYSA-N
|
| 34458 |
+
1EF6CD0841F72CEB_D95E17870F01E049_6038_UN,N(C[C@H]1C[C@H](C1)C2=CC=CC=C2)C(=O)C3=CC=CN(O)C3=O,POEXUQGOOLYJNM-XBXGTLAGSA-N
|
| 34459 |
+
1F8525C2785A3518_E1A7D97734646A3E_6031_UN,O(C(=O)C1CC[C@@H]2CC[C@H]12)CC34CC(N)(C3)C5(O4)CCC5,IWWUIHWQLOLCOH-GDHNEDFPSA-N
|
| 34460 |
+
224A296DD3A6E937_8FBC510ED110005B_6041_UN,CC1=C(C=CC(=C1)NC2=CC3=C(C=C2)CCOC3=O)[N](=O)=O,MMQICNCJGDMFKU-UHFFFAOYSA-N
|
| 34461 |
+
224A296DD3A6E937_DC9EEACD2E75D4C7_6041_UN,CC1=C(C=CC(=C1)NC2=CC3=C(C=C2)CCOC3=O)[N](=O)=O,MMQICNCJGDMFKU-UHFFFAOYSA-N
|
| 34462 |
+
232727986349066F_450716B42A9098D3_6041_UN,O=[N](=O)C1=C(C=CC(=C1)F)NCC2=C(C3=C(C=C2)CCCC3)F,MAIWIXXNFDOIRX-UHFFFAOYSA-N
|
| 34463 |
+
23396E77BAC8D472_BA9D40177C9AF7C1_6035_DP,NC[C@H]1[C@@H]2C[C@H](C1)[C@@H](C2)OC3=N[NH]C4=C3CCNCC4,XTUGLKUIYQGAHD-NJBDSQKTSA-N
|
| 34464 |
+
23766870390759DA_5F6DB6673BBC421E_6034_UN,O=C1C5=C(N=C(N1C[C@H]3[C@@H]2C[C@@H]2[C@@H](N)C3)N4CCNCC4)CCCCC5,RZPGKYNODACSGO-HJWJTTGWSA-N
|
| 34465 |
+
2B5BB1820DBB243A_FDE1752F8BBB9174_6029_UN,N(C1=CC=C(C=C1)N2CCOC2=O)[S](C3=CC(=CC4=C3[NH]C=N4)Cl)(=O)=O,PNYWEZHOYIHAGO-UHFFFAOYSA-N
|
| 34466 |
+
2FA065861156ED50_8016CFF140EB8935_6004_UN,O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2C3=CC4=C(C=C3)OCO4)Cl,HCJRXPLOSSQBKI-UHFFFAOYSA-N
|
| 34467 |
+
367B0FCACA9151D7_557A10D6415E793E_6038_UN,CN(C)CC1(CCCCC1)COC(=O)CC2=CSC3=NCCN23,MRFQBPUMBBWNCB-UHFFFAOYSA-N
|
| 34468 |
+
3761CCCECE0CB8F9_A1A9E8F2FF87CD9C_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)N[C@@H]3CCO[C@@H]3C4=NC=N[NH]4,IOQBMVCSNKYXAB-MFKMUULPSA-N
|
| 34469 |
+
377F6404C6A8A3F2_D8CC919666528453_6034_UN,CC1=CC2=C(C=C1)N(C(=O)[N]3N=C(N=C23)C4CC4)CC5CO[S](=O)O5,SNHKXCWNGQIIND-UHFFFAOYSA-N
|
| 34470 |
+
39E5201ABFE63EFE_288A33204A81B396_6038_UN,O([C@@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C(C56CC4(CC(CC(C)(C4)C5)(C)C6)C)=O,KMYXJIRMMNWXEM-OUOZTYEKSA-N
|
| 34471 |
+
3A55DC88F4069E41_073BD0DCBA6D1489_6035_UN,C[N]5C=C4OC1(CCNCC1)CC(OC2=NOC3=C2CNCC3)C4=N5,XFDUUKMFXMBQEF-UHFFFAOYSA-N
|
| 34472 |
+
3A9E2A73A1FEA52E_C9E39AF3E0EA009F_6041_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NCC3(CCC3)C#C,JIHHKXVKRWTKGJ-UHFFFAOYSA-N
|
| 34473 |
+
3AF1C5A61E21FCDD_F5BA14D9BEB2110E_6029_UN,N(C1=CC2=C(C=C1)CCOC2=O)[S](C3=CC4=C(C=C3)[NH]C(=N4)CCl)(=O)=O,VJEBEDNMGVSZNI-UHFFFAOYSA-N
|
| 34474 |
+
3E3DF3EA89A0A725_33CD15D684C8FF58_6038_UN,COCC14CC(C1)(CNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)OC4,GQNHEMOEQJUUTJ-UHFFFAOYSA-N
|
| 34475 |
+
3F6C032A5092E79E_C89E930E57C534B0_6034_UN,CN1C(=O)N(C2=C1C=C(C=C2)Br)CC45CC3(CC(CC(C)(C3)C4)C5)C,LFJDHDVCRHXYMQ-UHFFFAOYSA-N
|
| 34476 |
+
4004B046BEAAA4A3_6D44628E3846BEAB_6031_UN,O(C(=O)CC1CCC2(CC1)CCNCC2)C[C@H]3CC[C@@H](CN)O3,DBUWMPYEFJBRQS-JKSUJKDBSA-N
|
| 34477 |
+
413D9DF052ABFE93_7D185E48AF901179_6006_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN=C2C3=C(C4=C(C=C3)OCO4)F,MKZFCIKTHCJGJH-UHFFFAOYSA-N
|
| 34478 |
+
428D0C23B77BCD01_956B48AA5D3149C4_6031_UN,O(C(=O)[CH]=[C]1CC[CH2]CC1)CC2=CN=C(N(C)C)[N]2C,HGOXXLWQGVPPOX-UHFFFAOYSA-N
|
| 34479 |
+
431EB0ECF4944C90_27DC5806174891DC_6029_UN,OC1=C(C=C(C=C1)Cl)C2=N[N](C(=C2)C3=CC=CO3)[S](C4=CC5=C(C=C4)CC=C5)(=O)=O,FRIHULIPVZZTAC-UHFFFAOYSA-N
|
| 34480 |
+
45A1E610902CADED_2A4B525B3CEB79A5_6038_UN,O([C@@H]1CCN2[C@@H]1COC2=O)C(=O)CCC3=CC=C(O3)C4=C(C=CC=C4)F,FFIZDRVOXFAMJQ-NVXWUHKLSA-N
|
| 34481 |
+
45F9EB05491EB1EA_0390D4BB43989D4F_6034_UN,COC1=CN=C(N(C1=O)CC3CCC2(CCCC2)CN3)C4(CCCC4)N,DJMBXFZMCHSCAP-UHFFFAOYSA-N
|
| 34482 |
+
4605B6E8C068CC21_522FB370B97861DB_6039_UN,O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)CC45OCC(C)(CO4)CO5,MUMBUOHASWSYJD-MUYFXNHWSA-N
|
| 34483 |
+
484FB9CE76D39611_7424EC21E039D8C7_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3=CC(=CC=C3)F,FNFQMBDDKVYRDH-UHFFFAOYSA-N
|
| 34484 |
+
495D521861447E45_4F6A5FB84CA3EB8C_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=N[NH]2)N[C@H]3C4=C(CCC3)C=CC(=C4)F,WCRHNPTXZBOQEB-OAHLLOKOSA-N
|
| 34485 |
+
4A638333955353DE_BB6C21BC8761887F_6004_UN,OC1=CC(=C(C=C1)C3=C2OCCCC2=CC=C3)[N](=O)=O,ZSLXRHFLFXTYTA-UHFFFAOYSA-N
|
| 34486 |
+
4A99657FC5F0EB54_570DBB8075DAD96E_6029_UN,N(CC1=C[N](=CC=C1)=O)[S](C2=CC3=C(C=C2)[NH]C(=N3)Cl)(=O)=O,BGSYJDPEHJOSFG-UHFFFAOYSA-N
|
| 34487 |
+
4BBC5D183E581982_FC06BE6B27F0CFC3_6038_UN,O([C@H]1C[C@H](C1)C2=CC=C(C=C2)F)C(C45CC3(CC(CC(C)(C3)C4)(C)C5)F)=O,CKTBSTUDVPNRIS-WZLUCYLESA-N
|
| 34488 |
+
513E126B3F9A0FB0_177156385F817A00_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)O[C@H]3[C@@H](CC[C@@H](C)C3)C(=C)C,ZLUVBBBAEJGMEQ-ACWOFJMJSA-N
|
| 34489 |
+
5468B5EA5F1699DB_F9763176A11E1B0E_6029_UN,N(CC2=CC1=C(C=CC=C1)OC2=O)[S](C3=CC4=C(C=C3)[NH]C=C4I)(=O)=O,HVDDLNRSMJPKEU-UHFFFAOYSA-N
|
| 34490 |
+
550ADCDE911830A9_9C49F6825A033666_6035_UN,O(CC1CCN1C2CCCCCC2)C3=C(CN)C=C(C=C3)Br,NWSZBLSBZPVNLI-UHFFFAOYSA-N
|
| 34491 |
+
5635BD02521471C1_24296D69191A4602_6041_UN,C[N]1C=NC2=C1C=CN=C2N[C@@H]3CCO[C@@H]3C4=NC=N[NH]4,XZFQLNLKZPKFQY-KCJUWKMLSA-N
|
| 34492 |
+
57843B49424B5411_8D2DE5FDBA32B5B6_6041_UN,OC(=O)C1CC(C1)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)C#N)F,RVECPGUMKSMMRU-UHFFFAOYSA-N
|
| 34493 |
+
5B70ADDD46348D53_60D7A5C10995E578_6035_UN,O(C1(CCNCC1)C2CCCCC2)C3=CC=CC(=C3F)CN,NPRLKGBYFYQFSB-UHFFFAOYSA-N
|
| 34494 |
+
5BC09DD62994F16E_A447DBD061126F1B_6035_UN,O(CC1CCN1C2CCCCCC2)C3=C(CN)C=C(C=C3)Cl,NRJLNASBMBFCQS-UHFFFAOYSA-N
|
| 34495 |
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C996351BAF4124F1_B7BE7F9CEEF6F704_6041_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NC3(CCCCCC3)C4=NOC(=N4)C5CCCCC5,FSZPBRRZEDKUCA-UHFFFAOYSA-N
|
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CB2737F9AB668D2A_A0E2EB34EFC05CB8_6028_UN,N(C1=CC2=C(C=C1)CCOC2=O)[S](C3=NC=C[N]3C4=CC=C(C=C4)Cl)(=O)=O,GRULWQKSFKEPDH-UHFFFAOYSA-N
|
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CBE04EABBD6B11A3_247654ECDAE3A23D_6038_UN,N(C1CC2CCC(C1)[S]2(=O)=O)C(C34CCC(OC)(CC3)CC4)=O,BOOPQKOGZAQRAU-UHFFFAOYSA-N
|
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CDCFED283BC7C7C7_BEB763E77DE12363_6035_UN,CC(=C(Br)COC1=C(C=CC=C1C2CCCCC2)C3CCCCC3)C,OYEJNLDTSIBNOJ-UHFFFAOYSA-N
|
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CF1DD6E6493DB5ED_21F5E8DD85232F85_6031_UN,O(C(=O)[C@H]1N[C@@H](CC1)C2CC2)CC34CC(N)(C3)C5(O4)CCC5,GRPLXYDVLOYZCY-VRLRAXNCSA-N
|
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D086FB9FD44E20FE_B87B7FA281124682_7022_UN,CC1=CC(=CC(=C1)OCC2=CC3=C(C=C2)OCC3)[N](=O)=O,PMQBZDLGMNTHRJ-UHFFFAOYSA-N
|
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D09E722A05A29971_05CD0A1D521E8A14_6029_UN,N(CC1=C[N](=CC=C1)=O)[S](C2=CC3=C(C=C2)[NH]C(=N3)CCl)(=O)=O,ZZQIFEGMNFNZEN-UHFFFAOYSA-N
|
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D1C9A50DB7C8D9C8_DDA4E4391C40CE0B_6035_UN,O(C(C1CCCCC1)C2CCNCC2)C3=C(CN)C=C(C=C3)Br,RPSOXYIFYVUROJ-UHFFFAOYSA-N
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D2C4CF34DC9B6BA6_9EAEEEA9EFE1AD83_6041_UN,C[N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NCC3C5(C34CC4)CC5,RYTQEEZVJUGBMM-UHFFFAOYSA-N
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|
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D39F0247C8431796_CCE0148BF200A0F8_6038_UN,N(C1=C(CCCC1)C#N)C(C2=C(C)C3=C([NH]2)C=CC(=C3)F)=O,PHLKRKCNTWHNQP-UHFFFAOYSA-N
|
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D416223D8C264195_A77AA54499764274_6029_UN,N(C1=CC2=C(C=C1)CCOC2=O)[S](C3=CC4=C(C=C3)[NH]C(=N4)Cl)(=O)=O,JYYHQLXDNKRRBE-UHFFFAOYSA-N
|
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D5B181DE3C03C13A_D92A58ECD7580F19_6031_UN,COC13CCC(CC1)(C(=O)OCC(ON)C2CCCC2)C3,DWIWFTBEGNNURS-UHFFFAOYSA-N
|
| 34590 |
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D5B87102D956D86C_B24504E5B466B0A2_6035_UN,O(C(C1CCCCC1)C2CCNCC2)C3=C(CN)C=CC(=C3)Br,YXPPMYJUFAWPNH-UHFFFAOYSA-N
|
| 34591 |
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D6211A6A76008072_F4C4FC8FDB791343_6038_UN,CC3=C(NC(C1=C(C)CCCC1)=O)C(=O)N(C2CCCCC2)N3C,AWVNEZDAEFSKKG-UHFFFAOYSA-N
|
| 34592 |
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D642C8AA3D299D73_E920E2E5AE2AF4ED_6039_UN,NOCCOCC3CCC1(CCC2(CC1)OCCO2)O3,ROSCVEUNKRJSIE-UHFFFAOYSA-N
|
| 34593 |
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D7A74DF7E8C99CE7_BD508A5D121C2C0F_6034_UN,O=C1CC2(CC(=O)N1CC(C)(C)ON)CCCCCC2,BPZVCJFMQPYIFE-UHFFFAOYSA-N
|
| 34594 |
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D9964B1A4BF7BCC9_F6368DD7D4E64393_6041_UN,O=[N](=O)C3=CC1=C(N=CN=C1NC2=C(CCC2)C#N)S3,JTKHYTWZZAHDSS-UHFFFAOYSA-N
|
| 34595 |
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DC481E60C13BF24E_3BF2F747B582E07F_6038_UN,N([C@H]1[C@@H](C1)C2=CC(=CC=C2)F)C(C45CC3(CC(CC(C)(C3)C4)C5)C)=O,YFVODUQKEALOCI-VGMHSIHTSA-N
|
| 34596 |
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DE18293CFBD84BAA_3E3C5AB0ADAC4D96_6035_UN,CC4=NC1=C(C(CCC1)OC3=C2CCCC2=NC(=N3)N)S4,KBQBBJUJSWDRAB-UHFFFAOYSA-N
|
| 34597 |
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DE52C3FDA10179F8_E5DB3E81FA5C82FE_6029_UN,OC1=CC3=C(C=C1)N(C2=C(C=CC=C2)S3)[S](C5=NC4=C(C=CC(=C4)F)O5)(=O)=O,SRVUPMLPKFOJQB-UHFFFAOYSA-N
|
| 34598 |
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E06799F78E39EBD5_9CD62B0F0E0EFF58_6034_UN,O=C1N(C=NC2=C1SCCC2)CC34CC(N)(C3)C5(O4)CCC5,VSLUOYFKBWHGGO-UHFFFAOYSA-N
|
| 34599 |
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E13E4D96A6068C3B_DEC5AB439AE32FDD_6041_UN,O=[N](=O)C1=CSN=C1NC2=CC(=C(C=C2)N3CCCC3)F,QNDXVAFQVNGFLV-UHFFFAOYSA-N
|
| 34600 |
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E2C3F3758B0532DF_C36715034CD6FC62_6041_UN,C1(=NSC(=N1)C2CC2)NCC3=NN=C([N]3C)C4CCC4,WZJBGHMRHZCWKL-UHFFFAOYSA-N
|
| 34601 |
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E3280883CB722E79_3D5159CA9C615E08_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(N)C=CC(=C4F)Br,UHBHEMQAJHRHLC-IUODEOHRSA-N
|
| 34602 |
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E692DF4EC1D8987C_5304D195F75637DB_6034_UN,O=C1C5=C(N=C(N1C[C@H]3[C@H]2CCC[C@H]2[C@@H]3N)N4CCNCC4)CCCCC5,ABXZUSZYZAFFFF-HIRMHNASSA-N
|
| 34603 |
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EAAC2978A333EE2F_29ADF9F313E7D796_6039_UN,CN(C)C4=C(COCC1=CC(=C2C(=C1)OCO2)C3=C(C)[N](N=C3)C)C(=O)N(C)C(=O)N4C,KSIGHVPWYQZXGD-UHFFFAOYSA-N
|
| 34604 |
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EC12BF14C778CC77_2CAB09CC85262404_6028_UN,N(C1=CC2=C(C=C1)CCOC2=O)[S](C3=NC=C[N]3C4=CC=C(C=C4)Br)(=O)=O,FGGBJSHLIJCNCX-UHFFFAOYSA-N
|
| 34605 |
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ECCED1AAFED6D69A_24747B75C7039196_6039_UN,CO[C@@H]1COC[C@H]1OCC4CCC2(CCC3(CC2)OCCO3)O4,UQCHYMQMHUXYKW-JVIGXAJISA-N
|
| 34606 |
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EEA83FD0D5DB2B4D_E808C0E8B775F266_6035_UN,O([C@@]1(C[C@H]2C[C@@H]1CC2=O)C(F)(F)F)C3=C(C=CC=C3C4CCCCC4)C5CCCCC5,MXHRZPXDNROJMY-UMEGOILYSA-N
|
| 34607 |
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F0AF3ED97F48F59B_34FBF88DCFA4BC8D_6041_UN,O=[N](=O)C1=C(C=C(S1)C#N)NC2(CCCC2)C3=CC4=C(C=C3)OCCO4,UIGZAIHDKCRWQA-UHFFFAOYSA-N
|
| 34608 |
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F0EFA27829A80CF9_2A840FD6A2C4087F_7019_UN,OC1=C(C=C(C=C1)C=CC3=C2OCCC2=CC4=C3CCO4)[N](=O)=O,OKMKSENBQOHLGZ-UHFFFAOYSA-N
|
| 34609 |
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F166EBF614D3E641_4F313AACE29AA847_6038_UN,O(C=C1CCCCC1=O)C(=O)C2=C(C=CC(=C2)N3CCOC3=O)F,AOKJKJUSBFCRPQ-UHFFFAOYSA-N
|
| 34610 |
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F40B7220F765D2E5_9EAA9A11FCA9A787_6041_UN,CC1=CC(=CC(=C1)NCC2=CC3=C(C=C2)OCC3)[N](=O)=O,DLGXACUHLBRRMF-UHFFFAOYSA-N
|
| 34611 |
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F50063D0A9A34409_770DB34E489FCDCE_6028_UN,O=[N](=O)C2=CC1=C(C=CC=C1)N2[S](C3=CC4=C(C=C3)[NH]N=C4)(=O)=O,SORKTZQBKMXVKL-UHFFFAOYSA-N
|
| 34612 |
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F5169C09DDAFB208_825AA500D1422A61_6035_UN,O(C1CCNC12CCCCCC2)C3=C(CN)C=CC=C3F,CGPTUCHOLVCTFU-UHFFFAOYSA-N
|
| 34613 |
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F5C8DF29BF60CF46_4F4DEE518F571D12_6029_UN,OC(=O)C1=CC2=C(C=C1)[N](C=C2I)[S](C3=CC4=C(C=C3)[NH]C(=N4)CCl)(=O)=O,YCXANWNVEFARKM-UHFFFAOYSA-N
|
| 34614 |
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F812B7AF7AAA9EBF_33E5DCDDAE56A38F_6031_DP,O(C(=O)CNC1=NCCCCC1)CC(ON)C2CCCC2,ITIDSZHLWZQTBA-UHFFFAOYSA-N
|
| 34615 |
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F812B7AF7AAA9EBF_8175193E7A766FF3_6031_UN,O(C(=O)CNC1=NCCCCC1)CC(ON)C2CCCC2,ITIDSZHLWZQTBA-UHFFFAOYSA-N
|
| 34616 |
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F9407CFE85817159_9E8C684FE5DCDAD9_6038_UN,N(C1=C(CCCC1)C#N)C(CCN3C=NC2=C(C=N[N]2C)C3=O)=O,MCDKMNFMCJUAGN-UHFFFAOYSA-N
|
| 34617 |
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FBE4C71C4D237C8F_F823ABB3A0847777_6035_UN,O(C2CN1C=CC=CC1=NC2)C4=C3C=CC=CC3=C(C=C4)[N](=O)=O,HXGYXMUKRGFASQ-UHFFFAOYSA-N
|
| 34618 |
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FD06647C8F061783_1CC51E0D66DD6D70_6031_UN,O(C(=O)[C@@H]1C[C@H](CN1)C2CCCCC2)CC34CC(N)(C3)CO4,YQCNNXZERXGDOF-VBJONLRCSA-N
|
| 34619 |
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FD666F8472071956_0C23A1E2FAB97613_6041_UN,CN(C)C1=NC(=NC(=C1)C)NCC2(CCCCC2)N3CCSCC3,VGXDTISAOWLHMF-UHFFFAOYSA-N
|
| 34620 |
+
rxn:2:100415:112260,,
|
| 34621 |
+
rxn:2:103279:85634,,
|
| 34622 |
+
rxn:2:106594:117719,,
|
| 34623 |
+
rxn:2:108616:121107,,
|
| 34624 |
+
rxn:2:110333:105306,,
|
| 34625 |
+
rxn:2:112260:100415,,
|
| 34626 |
+
rxn:2:116614:66605,,
|
| 34627 |
+
rxn:2:116614:82715,,
|
| 34628 |
+
rxn:2:117719:106594,,
|
| 34629 |
+
rxn:2:121710:104190,,
|
| 34630 |
+
rxn:2:122899:116614,,
|
| 34631 |
+
rxn:2:125820:133615,,
|
| 34632 |
+
rxn:2:130954:138098,,
|
| 34633 |
+
rxn:2:139605:159168,,
|
| 34634 |
+
rxn:2:142064:92710,,
|
| 34635 |
+
rxn:2:66605:116614,,
|
| 34636 |
+
rxn:2:82715:116614,,
|
| 34637 |
+
rxn:2:85634:103279,,
|
| 34638 |
+
rxn:2:88126:73364,,
|
| 34639 |
+
rxn:2:88151:116503,,
|
| 34640 |
+
rxn:2:92343:116614,,
|