Added 134 molecules from epoch 16600 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +134 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -19429,3 +19429,137 @@ FE94E222ADCE41B4_32B7BFC0C45B5D48_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)
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| 19429 |
rxn:2:101320:137989,,
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| 19430 |
rxn:2:107092:106489,,
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| 19431 |
rxn:2:83811:86439,,
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| 19429 |
rxn:2:101320:137989,,
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| 19430 |
rxn:2:107092:106489,,
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| 19431 |
rxn:2:83811:86439,,
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| 19432 |
+
016C367611276D22_B7C97EA6F1A5D473_6034_UN,C[N]4C=C(CC1CC(=O)N(C1=O)CC23CC(COC)(C2)CO3)C=N4,YYOLUSQUTWGKAE-UHFFFAOYSA-N
|
| 19433 |
+
0173752DE4D1E0E9_C2B617141E5FA2DE_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(C(C)C)OC=N3,YBQWKNIXBWJSDZ-UHFFFAOYSA-N
|
| 19434 |
+
044AC08A618FDD6D_E9A288DDB40FA59E_6026_UN,O=[N](=O)C1=C(C=C(C=C1)C#N)[S](=O)(=O)NC2=CC(=C(OC)C=C2)[N]3N=NN=C3C,POBWTPBCCLAZPU-UHFFFAOYSA-N
|
| 19435 |
+
0D157DB788106472_7174A333C4446FF2_6038_DP,NC(=N)SCCOC(CC1(CNC1)N2CCNCC2)=O,JHCKMIIODPSSGA-UHFFFAOYSA-N
|
| 19436 |
+
0DF895C480D9AFF7_370553AEFD59151D_6029_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C4=C(O)C(=CC(=C4)Cl)Cl)(=O)=O,UBTRBJBNKNVMHL-UHFFFAOYSA-N
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| 19437 |
+
0E1878F43B87914E_A06DCD3A6883EEC8_6039_UN,CCC1=CC(=C(C(=C1)OC)OCC(SC)C(=O)O)OC,QGMPXALERNFOGW-UHFFFAOYSA-N
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| 19438 |
+
0E1A8D39B64C5B89_4D816667B8A5DCDE_6009_UN,C1(=CCCCC1=O)C3C2C(CC(CN2C(OC)=O)C3)C#N,FWLYDSGPUOHGBZ-UHFFFAOYSA-N
|
| 19439 |
+
0FAE7044784DDD35_7B3B61FC26F96EE3_6041_UN,OC(=O)C1=C([NH]N=C1C2CC2)NC[C@H](CC(OC)=O)CC(C)C,QUIVYHWKVZHDEK-JTQLQIEISA-N
|
| 19440 |
+
1317AA38270A4338_B42671B8E270B85C_6031_UN,COC14CCC(CC1)(C(=O)OCC2[C@@H]3CNC[C@H]23)CC4,ZMYVKNZEOGEWGL-XKCYWNLSSA-N
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| 19441 |
+
15CD84520DF00465_50D59B14200541F6_6038_UN,COCC23CC(COC(C=C1CCCCC1(C)C)=O)(C2)OC3,HVDGRJUDRHQEBZ-UHFFFAOYSA-N
|
| 19442 |
+
16DCB226CA62D216_7DE35792D4B62CB3_6035_UN,CC2(C)CCC(OC1=C(C(=N[NH]1)C(OC)=O)Br)(CC2)C#C,JUUJYEGZTQMMTQ-UHFFFAOYSA-N
|
| 19443 |
+
1A22C7CA8139CA09_EB4684B889754A5A_6034_UN,CCC1=CC(=O)N(C(=N1)[N]2N=C(C)C=C2N)C[C@H]4SC[C@@H](N3C(N=C(N)C(=C3)F)=O)O4,AVMRZKZJWRCNAB-LSDHHAIUSA-N
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| 19444 |
+
1B95344D4F8293BC_F3D3327E291E108E_6031_UN,O(C(=O)C12CCC(CC1)(C(F)F)CC2)CC3=C[N](N=C3OC)C,SXEBQSUBCNAWQS-UHFFFAOYSA-N
|
| 19445 |
+
1CA884E40D465C90_97E5D1AF8D0F7B9E_6038_UN,CC1=C(C1COC(C2CCCCC2CC)=O)[Si](C)(C)C,DTOYRBGCSQSVJF-UHFFFAOYSA-N
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| 19446 |
+
203500D89A3249F0_A5E840CCA9308A46_6031_UN,O(C(=O)COC1=NC(=O)NC(=O)N1)CC23CCC(CN)(CC2)OC3,RTEGRNSQPQEEQF-UHFFFAOYSA-N
|
| 19447 |
+
23F65139CAD9EC65_4107BC1216E33A07_6039_UN,CC1=C(C=C(C(=C1)OCC2=NC(=NO2)C3=NC=CC(=C3)C)[N](=O)=O)[S](=O)(=O)Cl,DHIAWOJCAOREJB-UHFFFAOYSA-N
|
| 19448 |
+
259ABCE32A74F0F5_7E613F34039A01DD_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=CC(=C(C)C=C2)C3=CSC=C3)S,YEPAHPCTDPVHMI-UHFFFAOYSA-N
|
| 19449 |
+
2646B90B234BC215_D17D03A533B3E019_6031_UN,O(C(=O)C12CCC(CC1)(C(F)F)CC2)CC3=N[N](C(=C3)OC)C,QFWXHRCSCWFGII-UHFFFAOYSA-N
|
| 19450 |
+
272E44B6CFD7BCA2_085D7478CE73D104_6034_UN,CCC1=CC(=O)N(C(=N1)[N]2N=C(C)C=C2N)CC3OC3C,DIVMBUSXQZDMID-UHFFFAOYSA-N
|
| 19451 |
+
27E2090C1A7BA0EB_B78C6417664917B9_6029_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C4=NC(=C(C=C4)C#N)F)(=O)=O,IPVJWAJJUNRIPG-UHFFFAOYSA-N
|
| 19452 |
+
2E623154A5FF42F5_DA7069CC725D33D1_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C[N](C)N=C4Br,VOJDKFYLXWPKCN-NOZJJQNGSA-N
|
| 19453 |
+
31367097DD413FCE_AE4CDE7DBDD18C33_6041_UN,C2(=C[N]1C=C(N=C1C=C2)CN=[N]#N)NC34CC(C3)(C(=O)O)C4,FESVPAHCKPCKPK-UHFFFAOYSA-N
|
| 19454 |
+
3A18834BD973A9AB_916C2D7A7BB60DC4_6029_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=CC(=C(C=C4)N=C=O)F)(=O)=O,ORWAHPBFYAXXHR-UHFFFAOYSA-N
|
| 19455 |
+
3D524AF2821515C5_995BB756B7F0C4D2_6038_UN,O(CCN1C=C(C#N)C(=O)NC1=O)C(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,ASWPMDBIGJFGHG-UHFFFAOYSA-N
|
| 19456 |
+
41A045B53192F734_5240B3B413D843F3_6038_DP,COC13CC2(CC(CC(C1)C2)C3)CNC(C[C@@H]4C[C@@H](CN4)F)=O,YROUJFWGLABHLI-AFBDPTKZSA-N
|
| 19457 |
+
43AF7EEC5108426A_D2AE7B85ECFA2F08_6035_UN,CCC34CC(COC2=C(C=C1C(CCC1=C2)=O)Cl)(C3)OC4,PXCKRQRDVGQQHT-UHFFFAOYSA-N
|
| 19458 |
+
44A741E4764DF0D9_CF2DCFE946EA6F31_6041_UN,O=[N](=O)C1=CC(=CC(=C1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F)[S](=O)(=O)F,MOQOZTVMMXLSFE-UHFFFAOYSA-N
|
| 19459 |
+
471D81902EB4B3CC_9E3EB61F3D0503CC_6039_UN,O(CC12CCC(CC1)(C#C)CC2)CC3=CC(=NC(=N3)OC)OC,GEZRRWUYJKLUTR-UHFFFAOYSA-N
|
| 19460 |
+
48A3954C77E31E53_9A98C2A0F1DD9A60_6031_UN,O(C(=O)CC23CC1CC(CC(Br)(C1)C2)C3)C[C@H]4C[C@@]4(C(OC)=O)Cl,CVUDAONUCLMNEX-VWRVYXOBSA-N
|
| 19461 |
+
4A8B8FBDE21FAB6C_6D07249276D0922F_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CN=C(Br)[NH]3,XZGFDMGOGVBLCR-UHFFFAOYSA-N
|
| 19462 |
+
4B5895EA60F64047_357623326E1A6C77_6038_UN,N(CC12CC(C1)(C#N)CO2)C(C=CC3=CN=C(OC)N=C3)=O,GXROJUVGQAXJFH-UHFFFAOYSA-N
|
| 19463 |
+
4CCB4B271A4550FD_D37985C99E9650A1_6031_UN,O(C(=O)CCCCC1CSSC1)CC2=C(N=C(SC)N=C2Cl)Cl,KNVCXOCIUXJVGI-UHFFFAOYSA-N
|
| 19464 |
+
50B47BB8A50B1791_0FA464969F14E5D9_7022_UN,CC1=CC(=C(C=C1)OCC23CCC(CC2)(C#C)CC3)F,AHPQBWDCGVXPSM-UHFFFAOYSA-N
|
| 19465 |
+
51D2DC5E03C9F75F_C94A448AA6A4E816_6029_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=CN=N[N]4C)(=O)=O,CTIMKCWLGSDGED-UHFFFAOYSA-N
|
| 19466 |
+
51D2DC5E03C9F75F_E52B11C5F8B920EB_6028_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=CN=N[N]4C)(=O)=O,CTIMKCWLGSDGED-UHFFFAOYSA-N
|
| 19467 |
+
53F5E1B88F350871_A8E28F8A7C63A364_6031_DP,OC(=O)[C@@H]1CC[C@@H](CN1)C(=O)OCC2=CSC(=N2)COC,JYRAHTDVXFBODF-WPRPVWTQSA-N
|
| 19468 |
+
541C27A126D0CC5E_587E945BCE9DE94C_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(C)CC(F)F,ZWLOEUXAADOYBR-UHFFFAOYSA-N
|
| 19469 |
+
572C476A84949B3B_ACEC021B6F303343_6038_UN,CN3C(=NC(=C(NC(C12CCC(OC)(CC1)CC2)=O)C3=O)N)N,SDXYNWQUOJOJOU-UHFFFAOYSA-N
|
| 19470 |
+
585D70A6283D8AE0_2F8897B85101FCD7_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=C(C=C(C=C2)C3CCOCC3)F)S,UZBYFGFFCGHIRS-UHFFFAOYSA-N
|
| 19471 |
+
5CC9958052666CBA_185E87E52943993A_6034_UN,CN1C=C(F)C(=O)N(C1=O)CC23CC(COC)(C2)CO3,NYXKYFJQQJBPTK-UHFFFAOYSA-N
|
| 19472 |
+
5D8DF3BF50C60951_F9DD0BB5903FAF68_2875_UN,CCOC(=O)C34CC(C[N]1N=NC(=C1)C2=C(C=CC(=C2)OC)Cl)(C3)OC4,SJPGUARNCUBGEJ-UHFFFAOYSA-N
|
| 19473 |
+
628304F44A9699D2_B80C7CA78104DD85_6035_UN,NCC1(CC2CCC(C1)C2)OC3=CC(=NC(=N3)N)C(OC)=O,YTKCHBIDEBQUOW-UHFFFAOYSA-N
|
| 19474 |
+
63C4EFE10E0964D4_5750894FEB17F00B_6031_UN,COC13CCC(CC1)(C(=O)OCC2=C[N](N=C2OC)C)C3,ZGOIBCKSZUYMSI-UHFFFAOYSA-N
|
| 19475 |
+
6A39FDA30F8D71B3_A1F9AEE2E6FC3857_6031_UN,CSC1=NC(=CC(=N1)C2CC2)C(=O)OCC3=CN=C(Br)[NH]3,BVFSTSUVSJRFJX-UHFFFAOYSA-N
|
| 19476 |
+
6B0287669EECFE4C_87BD2CC83F1779E9_6028_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C5=NN=C(C4=CC(=C(C(=C4)OC)OC)OC)O5)(=O)=O,HQHZYADCQHAGMD-UHFFFAOYSA-N
|
| 19477 |
+
6B2381CF2FF3DC65_7E60AF5B67F28535_6031_UN,CC1=C(SC(=N1)N2CCNCC2)C(=O)OC[C@@H]3[C@@H](CN(C(OCC)=O)C3)N,UDSFGRUMUMVCBV-CHWSQXEVSA-N
|
| 19478 |
+
6B2381CF2FF3DC65_7F9D7BFF606AA7F9_6031_DP,CC1=C(SC(=N1)N2CCNCC2)C(=O)OC[C@@H]3[C@@H](CN(C(OCC)=O)C3)N,UDSFGRUMUMVCBV-CHWSQXEVSA-N
|
| 19479 |
+
6D546F584A07D652_F36F742467CFCFB7_6034_UN,NC1(CCC1)C2=NN=CN2C(CC)=C(N=O)C(=O)OC,IOWCQCYNWVJUII-UHFFFAOYSA-N
|
| 19480 |
+
6E88AAABE76041FB_2E44B458EC5885B1_6031_UN,CCN1CC(CCC1=O)C(=O)OC[C@@H]2C[C@@H](OC)CN2,JKQIBFUHOFZDAQ-GLXQMMQGSA-N
|
| 19481 |
+
6FEA4232542156F7_F95AA79191ADDC89_6009_UN,C1(=CCCCNC1=O)C2(C(NN=C(C)C2C)=O)C(=O)O,ZTXMLVIWHAHSHW-UHFFFAOYSA-N
|
| 19482 |
+
71922C902CE3C433_B1F7269E9E15A646_6029_UN,C1C2CCN(C1)C3=C[N](N=C23)[S](C4=CC(=CC(=C4OC)OCC)C#N)(=O)=O,RZQUTPXVZGMYOB-UHFFFAOYSA-N
|
| 19483 |
+
730C39D737E0CBF4_435C69A8D745057E_6034_DP,COC(=O)C1=C[N](C(=C1C(=O)OC)N)CC34OC2(CNC2)C(C3)(N)C4,CFTWTGSXFQHKMH-UHFFFAOYSA-N
|
| 19484 |
+
7766E2FF006F6457_B910583C48F0ADE4_6035_UN,O(CC12CCC(CC1)(C#C)CC2)C3=CC(=CC(=C3)Br)OC,ZWYMBUDCFDDYBH-UHFFFAOYSA-N
|
| 19485 |
+
7B22CAE769AB186B_C826F6D0B29F91BB_6031_DP,N1CC(C1)N2CC(CC2=O)C(=O)OCC3=CN=C([N]3C)S,XAKBVUJXCHXXKL-UHFFFAOYSA-N
|
| 19486 |
+
7C5417BB384187D5_6F07BFC63F481A97_6038_UN,COCC34CC(COC(=O)C1=NO[C@H]2[C@@H]1CCC2)(C3)OC4,BMOHFVWTNMIYMF-VWXOLTIFSA-N
|
| 19487 |
+
7D0FE41D9952DE03_7AFCD89B309CD6BA_6035_UN,NCC23CCC(COC1=C(C(OC)=O)N=C(C=C1)Br)(CC2)OC3,YBFBGBQBDUSPFI-UHFFFAOYSA-N
|
| 19488 |
+
7F1F353F974FA12C_5B42BAFE5D384F33_6039_UN,NC4=C(OCC2C[N]1C(=NN=C1S2)C3=CN=CC=C3)C(=O)C4=O,HDLYVWRKVAKKRC-UHFFFAOYSA-N
|
| 19489 |
+
7F46811D5FCB54DD_C910F5908A1332C4_6038_UN,O(C1CCCC1C#N)C(=O)CC34CC2CC(CC(F)(C2)C3)C4,XDJXVECACRIDTK-UHFFFAOYSA-N
|
| 19490 |
+
803BCD089EE08C9E_9EF8977F25213E25_6035_UN,O(CC12CCC(CC1)(C#C)CC2)C3=NC=CC(=C3OC)Cl,PLHMKKFCMRWHNZ-UHFFFAOYSA-N
|
| 19491 |
+
860633326D42ED1B_FFC03E256CE7DB67_6031_DP,N1C[C@@H](F)C[C@H]1CC(=O)OC[C@@H]2CCCN2CCOC,OZVMHCZYGRYNPR-AVGNSLFASA-N
|
| 19492 |
+
861D428A29E8D028_653EC73F5D2FA7CB_6038_UN,CC23CC(COC(C1=C(OC)C=NN=C1OC)=O)(C2)CO3,VCVWVWVOARFRQS-UHFFFAOYSA-N
|
| 19493 |
+
86674C3669EB63F6_D17DAD156B9AA676_6038_UN,CC1=C(C1COC(C2=CN=C3CC(C)CC[N]23)=O)[Si](C)(C)C,AUFUJCOJJNUGSQ-UHFFFAOYSA-N
|
| 19494 |
+
866F3C870ECC4073_6EBACF25077DD8F1_6031_DP,CO[C@@H]1CC(C[C@H]1OC)C(=O)OCC34OC2(CCNCC2)C(C3)(N)C4,ULXKKIAZIXACSX-QBBMROGASA-N
|
| 19495 |
+
891E5FCB52EE6350_5E265F6F6FA4DE52_6034_UN,SC2=NC=C(C1CC1)C(=O)N2CC3=CC4=C(C=C3)OC=C4,QJWGFXSCBCFMMU-UHFFFAOYSA-N
|
| 19496 |
+
89FBA362DD429B21_A539F764C4642A89_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CC(=N[NH]3)C(C)C,YNOLWZGFCUJUTF-UHFFFAOYSA-N
|
| 19497 |
+
8BCEC550F56387A2_57796BACDA932B22_6038_UN,C[N]2C=C(CC(NC(C1(CC(C)C1)C#N)=O)C(=O)N)N=N2,KFAGXTHAIRILBT-UHFFFAOYSA-N
|
| 19498 |
+
8BF9394E329A04DF_4909F10CE23B1A9D_6038_DP,COCOCCCNC(C13CC(OC12CCNCC2)(C)C3)=O,HKWRKFJTLIVMAU-UHFFFAOYSA-N
|
| 19499 |
+
8CC3D9C63D7FB6A1_0B2401E243DA58EF_6038_UN,N(C1=CC(=C(C=C1)SC2CCCC2)F)C(=O)C(=C)C3CCC3,NYZZBGWDWKXJDI-UHFFFAOYSA-N
|
| 19500 |
+
90C68BB95EF42EF6_89B8CA38D0A4BDB3_6039_UN,O(C1=CC2=C(C=C1)OC(=O)N2)CC3=NC(=NO3)C4CCC4,ZGFLVXHBVWLJCR-UHFFFAOYSA-N
|
| 19501 |
+
9388543DE6E96BAE_7E082FFD93B1CD4F_6038_UN,CC1=N[NH]C(=C1NC(C34CC2(CC(CC(C)(C2)C3)(C)C4)C)=O)N,MBZMNCFMJMZGTM-UHFFFAOYSA-N
|
| 19502 |
+
983EB4980DF56C78_268DB7C9B27EE512_6038_DP,NC(=N)C1=C[N](N=C1)CCOC(CC2(CNC2)C(=C)F)=O,GDERZOSMGQFLAE-UHFFFAOYSA-N
|
| 19503 |
+
9B98922E68A50859_20CBA12732240031_6031_UN,O(C(=O)[CH]=[C]1CC[CH2]CC1)CC23CC(C(OCC)=O)(C2)CO3,XVONYQZEHDNXNA-UHFFFAOYSA-N
|
| 19504 |
+
9F9EE9765A6E60A5_F0221B4B7459CABE_6038_UN,O([C@@H]1CCCC[C@H]1O[C@@H]2CCCC[C@H]2F)C(=O)CCOCCOCC#C,IYBKEVAWLXILAG-NCXUSEDFSA-N
|
| 19505 |
+
A0AFE24F90E0EB5D_FE9F90EDB007CBE2_6041_UN,OC(=O)C=CC1=CC(=C(C=C1)NCC2=NOC(=N2)C(C)(C)C)[N](=O)=O,NKCIJKPHBUPSDN-UHFFFAOYSA-N
|
| 19506 |
+
A48780CBE291DA5C_01C99FFC038BF7B4_6034_UN,NCC2=CN(C1CC1)C(=O)N(C2=O)CC3=C[NH]C(=N3)Cl,WXFWJIHRZDCIKG-UHFFFAOYSA-N
|
| 19507 |
+
A753BA042688291A_D92BFFF38491AAC7_6038_UN,NC(=N)C1=NC=C(C=C1)NC(C2=CON=C2C3(C)COC3)=O,LQXANZYWUIZDHI-UHFFFAOYSA-N
|
| 19508 |
+
A8EEBD9BA8EFEF0A_ED4F45065D45CB87_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C(SN=C3C)C,UMLPIRDPMYZYAF-UHFFFAOYSA-N
|
| 19509 |
+
AB9D472B8EB189D7_794B3BB0D79B6D9D_6034_DP,CC1(C)OB(OC1(C)C)C3=C(C=C2[N](C(=CC2=C3)O)CC4(CNC4)C#N)Cl,VGUICPZOPKSQHF-UHFFFAOYSA-N
|
| 19510 |
+
AE2AD1F017EA9AA7_53780633CAE1328B_6029_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=CN=C(C)[N]4C)(=O)=O,WNUDSQFXQDCOJE-UHFFFAOYSA-N
|
| 19511 |
+
AFB4630E1E789AD7_FAE2A5CBA8FEEC20_6031_UN,O(C(=O)CC23CC1CC(CC(Br)(C1)C2)C3)CC4=CN(C(OC)=O)CCC4,XILGGVXYIIWIBK-UHFFFAOYSA-N
|
| 19512 |
+
B22D435302509E47_963C24EBFAEC4A2D_6031_UN,O(C(=O)CC1=CSC2=NCCN12)CC3CCN(C(OC)=O)C3,UNINZJABGUWGFR-UHFFFAOYSA-N
|
| 19513 |
+
B298893FC9B08DD8_46B271F8A3F79E62_6034_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)C4=CCCC5=C4C(=NO5)C)Cl,GMGLNZTZUWEIOB-UHFFFAOYSA-N
|
| 19514 |
+
B2FF02FDA4CFE39D_BF72AD6CF1FA8FE4_6041_DP,OC(=O)CSC1=CSC(=N1)C2=CC=C(C=C2)N[C@@H]3CNC[C@@H](C3)F,YMYJPTRBHKPDKU-YPMHNXCESA-N
|
| 19515 |
+
B3FE69F41D3D79F0_D24AB2F6AC89543A_6038_UN,O(C=C1C(CCC1)=O)C(CC2=C(C)C3=C(NC2=O)N(NC3=O)C)=O,OWFZNAWRPRLFMC-UHFFFAOYSA-N
|
| 19516 |
+
B52470C34D34777C_3682D15DA3513695_6038_DP,N3CC(F)(CNC(C2=C[N]1N=CC(=C1N=C2C)C#N)=O)C3,JDSZMQGPKWXIDZ-UHFFFAOYSA-N
|
| 19517 |
+
B9128F235E48A36F_8513376B108B6A88_6035_UN,NCC1(C2CCC(C1)C2)COC3=CC(=NC(=N3)N)C(OC)=O,YSNZVOTXIKNGSP-UHFFFAOYSA-N
|
| 19518 |
+
B96521840F9EBC1C_25485FE410FACFDE_6038_UN,O(CC1(COC1)C#N)C(=O)CC2=CSC(=N2)C3COCC3,KEJWPNXXKKPMFB-UHFFFAOYSA-N
|
| 19519 |
+
BA7713C4ADEB01B8_B506392E5C5A863B_6031_UN,CC(C)(C)C1CC(=NO1)C(=O)OCC2=CN(C(OC)=O)CCC2,AAPIZSUUAUHDGH-UHFFFAOYSA-N
|
| 19520 |
+
BBE632E7A2D5665A_F62E198B69ADC62E_6038_UN,COCC34CC(COC(=O)C1CC(=O)C12CCC2)(C3)OC4,LNDVNHNRXXKCDT-UHFFFAOYSA-N
|
| 19521 |
+
C049C493ECD83010_9D40C0629C3808EC_6031_UN,COC1=CC(=N[N]1C)C(=O)OCC23OC(C)C(C2)(N)C3,JAJCWVWBQUMMPS-UHFFFAOYSA-N
|
| 19522 |
+
C07845605BA6EC83_56A055885B10C225_6029_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=CC(=CC(=C4)N=C=O)F)(=O)=O,VCCQZMZSBCHUAW-UHFFFAOYSA-N
|
| 19523 |
+
C1D7B770F444C6B1_5F3774C0AF85B122_6031_UN,CC1(CC1)C2=NOC(=N2)C(=O)OCCC3=C(C)NN(C3=O)C(=S)N,HKTBMPBTQYYSNB-UHFFFAOYSA-N
|
| 19524 |
+
C4F6980D7AF32691_ADD4FFFDA414CB05_6038_UN,CC1(C)OB(OC1(C)C)C(=C)COC(C2=CN=C3SC=C(C)[N]23)=O,DEQNOILQFAMLHA-UHFFFAOYSA-N
|
| 19525 |
+
C74D60D1FA9D2D74_5CCCD31FB2794BC3_6031_UN,O(C(=O)C12CCC(CC1)(C(F)F)CC2)CCOC[N]4C3=C(C(N=C(N)N3)=O)N=C4,XRUJDTIIKPDXSA-UHFFFAOYSA-N
|
| 19526 |
+
C76C7F2476A5BBA4_5E8C3C4607CCB636_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(C)[N]3C=CN=N3,CNBCWJPTOILQEI-UHFFFAOYSA-N
|
| 19527 |
+
C7B4A2C1C2569AC9_47E276F60C6B1267_6028_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C4=C(C(=CC=C4)C#N)Cl)(=O)=O,IDXSDIDLVAMJOV-UHFFFAOYSA-N
|
| 19528 |
+
C91387C84A2A3C54_7415C5AB023AFF72_6031_UN,CO[C@@H]1COC[C@H]1[N]2C=C(N=N2)C(=O)OC[C@@H]3[C@@H](CN(C(OCC)=O)C3)N,CVYKNVKISLWGCT-HBJVGIJOSA-N
|
| 19529 |
+
CAA3E18870EB8E65_FCCED87F19E76AE3_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=C[N](C(C)C)C=N3,JVKYFJQYKHFASH-UHFFFAOYSA-N
|
| 19530 |
+
CC25638AB68DECEA_622B59FAB8F42019_6031_DP,N1CC(C1)N2CC(CC2=O)C(=O)OC[C@H]3[C@@H](CNC3)F,LSKLAESAQOLAFD-CAWIPBJDSA-N
|
| 19531 |
+
CCD2DBEC3F693271_25F2FD209C93148D_6029_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C4=C(O)C(=CC=C4Cl)Cl)(=O)=O,VQYPAYQCUSBDAM-UHFFFAOYSA-N
|
| 19532 |
+
D00CCD65CA2DA740_55CC5628DB0B3DB8_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OC[C@H]4CNC(=O)N4,LNTKTEKKQCQOAM-SOCHQFKDSA-N
|
| 19533 |
+
D15E7899D23DC1C9_DDAA92C306F88077_6029_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C4=C(C=CC(=C4)O)Cl)(=O)=O,XQNCSGNQGKRJRU-UHFFFAOYSA-N
|
| 19534 |
+
D571346CEDD89A64_4A67BBDBBFCC4BB1_6041_UN,OC(=O)C1CN(C(=O)C1)C2=CC(=C(C=C2)NCC3=NNC(=S)O3)F,HRMWDFMVIFVTRJ-UHFFFAOYSA-N
|
| 19535 |
+
D6274FE35870F62A_F211FF292FD1E6BA_6041_UN,CCOC(=O)C1=C([N](N=C1)C(C)C)NC23CC(CC(OC)=O)(C2)C3,QUOHTNKXNORUOR-UHFFFAOYSA-N
|
| 19536 |
+
D905F367351B3126_F97039FE00B27A92_6038_UN,NC(=N)C1=C[N](N=C1)CCOC(CC23CC(C(OC)=O)(C2)C3)=O,MLODGJPCAGEYGN-UHFFFAOYSA-N
|
| 19537 |
+
DC004B779E99C897_E9926B47587E4B0F_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C[N](C)N=C4I,IGLPDCCDTORRFZ-NOZJJQNGSA-N
|
| 19538 |
+
DC3665EBD39C4CA0_89D2042C8B86DBD2_6031_DP,COC[C@@H](CC(=O)OCC23OC1(CNC1)C(C2)(N)C3)N,BJQVIPXOTACKFW-OIKLOGQESA-N
|
| 19539 |
+
DC8E7797A3351441_9A65966BA86E7D03_6038_UN,CCC3=C(OC(CCC1=C(C)C2=C(NC1=O)NNC2=O)=O)C(=O)CC3,LKOQCPSGWDFYHV-UHFFFAOYSA-N
|
| 19540 |
+
E20760B27B64C0E5_D21FA254C6C57421_2267_UN,COC13CCC(CC1)(C#CC2=C[N](N=C2C(OC)=O)C)C3,SHTATRPXHXRUDH-UHFFFAOYSA-N
|
| 19541 |
+
E207AC448782BAC3_059B6FD2663FC6CC_6031_UN,O(C(=O)C2=C1N=C([NH]C1=CC(=C2)F)S)CC34CC(C3)OC4,PROKBZPBGRMNEW-UHFFFAOYSA-N
|
| 19542 |
+
E2DF1B136C5023FC_878B7115203D36C3_6034_UN,CNCC1=CN(C(=C(OC)C1=O)C)CC23CC(C2)OC3,HWPHDPGMSQWBKF-UHFFFAOYSA-N
|
| 19543 |
+
E414D09082E6616A_8E8A6D75AEBF20F1_6028_UN,N(C12CCC(CC1)(N=[N]#N)C2)[S](C3=NC(=C[NH]3)C4=CC(=CC=C4)Br)(=O)=O,KVCXZRCHGHSDEM-UHFFFAOYSA-N
|
| 19544 |
+
E5844A291CA18455_5EFA10937BB05637_6039_DP,N1CCC(CC1)C2CC(OCC#CC(OC)=O)C(=O)N2,YULLGBJSLQWKOI-UHFFFAOYSA-N
|
| 19545 |
+
E58C75A8487BDB93_9B51B956D7138589_6041_DP,OC(=O)CSC1=CSC(=N1)C2=CC=C(C=C2)N[C@@H]3CNC[C@H](C3)F,YMYJPTRBHKPDKU-AAEUAGOBSA-N
|
| 19546 |
+
E65CEC01F0C4E052_19289AC08D5D7E0E_6038_UN,CC(C)C1=N[NH]C(=C1NC([C]3(C(OC)=O)C[C]2(C[CH2]C2)C3)=O)C(=O)N,HKVUVLGPCNRDEI-UHFFFAOYSA-N
|
| 19547 |
+
E6E6D11EAB62D388_9F508FC63DAB1674_6038_UN,COC1=N[N](C)C=C1NC(C34CC2(CC(CC(C)(C2)C3)C4)F)=O,JJESQWOYQUUUMB-UHFFFAOYSA-N
|
| 19548 |
+
E7EF9680B6062D8C_4C5FDDF0E7519DCE_6039_UN,O(C(=CC#N)C(F)F)CC(=O)N(C1CCCCC1)C2CCCCC2,QEDDBEKKASZRPH-UHFFFAOYSA-N
|
| 19549 |
+
E8509D86E87EF70B_1D0D596631BEADF2_6029_UN,N(C1=C(C=C(C=C1)C2=NC(=NO2)C3CC3)Cl)[S](C4=C(C=N[NH]4)C#N)(=O)=O,BYWPMRVHCINQBL-UHFFFAOYSA-N
|
| 19550 |
+
EB7B7BE2F4020593_4BE43B4430E44AE7_6038_UN,CC(C)C1=N[NH]C=C1NC(=O)C2CN(C2)C3=NC=C(C=N3)F,FFHKSPGCCBFDIW-UHFFFAOYSA-N
|
| 19551 |
+
EFEC98CCE59B6D98_CCF925B7CEF2E899_6031_DP,O(C(=O)[C]1(C[C](=[CH2])C1)C(F)F)C[C@H]2CCC[C@@H](CN)C2,OCRANASHZYNSIR-NEPJUHHUSA-N
|
| 19552 |
+
F180B5D760851505_5C92101872304506_6031_UN,O(C(=O)C12CCC(CC1)(C(F)F)CC2)CC3=NN=C(OC)C=C3,MNQCKWMTNFADCG-UHFFFAOYSA-N
|
| 19553 |
+
F266A4493ABCD2C1_5DEB6742BEE6270F_6034_DP,CC#CC[N]1C(=NC2=C1C(N(C(N2C)=O)CC3CNCC34CNC4)=O)Br,UJINJVAZZCMHCJ-UHFFFAOYSA-N
|
| 19554 |
+
F2AECA2A241C55C2_0B1443497C545932_6028_UN,N#CC1=CC=C(C=C1)C2OCCN(C2)[S](C3=NC(=N[NH]3)C4=CC(=CC(=C4)Cl)Cl)(=O)=O,FWSNYZLHVVTNTM-UHFFFAOYSA-N
|
| 19555 |
+
FA44600529CC4015_BFB0AB29900AF25F_6038_UN,C[N]3C=C(CC(NC(C2CC1(ON=C(C)C1)C2)=O)C(=O)N)N=N3,XHWNAPVBJBZJJP-UHFFFAOYSA-N
|
| 19556 |
+
FB759834B3A41803_C5DB925ED00E90A8_6039_UN,O(CC12CC(C1)(C(=O)O)C3(O2)COC3)CC(OC)(OC)OC,YZCHSOOWUGPQEZ-UHFFFAOYSA-N
|
| 19557 |
+
FBCAE5EDE4DBF099_E17FA945D8E356CF_6034_UN,NCC2=CN(C1CC1)C(=O)N(C2=O)CC34CC(C(OC)=O)(C3)OC4,KGOZGZLVTYUIOQ-UHFFFAOYSA-N
|
| 19558 |
+
FBE05B1E0102A09F_520A104D9728A154_6038_UN,COCC23CC(COC(C=C1SCC(N1C)=O)=O)(C2)OC3,KERCBKUQFMRTPO-UHFFFAOYSA-N
|
| 19559 |
+
FCBC0EFA32A0474A_669E8A76DAD23246_6038_UN,NC(=O)C1=C(C=N[NH]1)NC(C2=C(N)N=C(N=C2)C3CC3)=O,GBIPOLRXPWNPLW-UHFFFAOYSA-N
|
| 19560 |
+
FF31A30DB9F2FC60_6D9CA06A3595FCEC_6029_UN,C[C@@H](N[S](C1=CC(=CC=C1)C2=NC=NO2)(=O)=O)C3CC(C3)(F)F,ZEZZMZRGLQMVSK-SECBINFHSA-N
|
| 19561 |
+
rxn:2:103576:126736,,
|
| 19562 |
+
rxn:2:105994:118307,,
|
| 19563 |
+
rxn:2:131937:167850,,
|
| 19564 |
+
rxn:2:131963:149595,,
|
| 19565 |
+
rxn:2:98440:111042,,
|