Added 160 molecules from epoch 16606 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +160 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -20346,3 +20346,163 @@ FC849F80C286D8DC_53E4C43ED8A3516A_6004_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)C3=CC(=CC=
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| 20346 |
FF5F9FECD9294360_C4A35323370386E6_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=CC3=C2OCO3)F)OC4=CC=CC=C4,FCMGLHOKQRUSTG-UHFFFAOYSA-N
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| 20347 |
rxn:2:104688:138640,,
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| 20348 |
rxn:2:94926:90864,,
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| 20346 |
FF5F9FECD9294360_C4A35323370386E6_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=CC3=C2OCO3)F)OC4=CC=CC=C4,FCMGLHOKQRUSTG-UHFFFAOYSA-N
|
| 20347 |
rxn:2:104688:138640,,
|
| 20348 |
rxn:2:94926:90864,,
|
| 20349 |
+
0431841D8AFBA6AE_6D1184E577D27FC5_6035_UN,O(C3COCC2=NC1=C(C=CC=C1)[N]2C3)C5=C(C=C4C(=CC(OC4=C5)=O)C6=CC=CC=C6)Cl,IBLXWJWUNRYTLH-UHFFFAOYSA-N
|
| 20350 |
+
0455606C2870A34C_08675D070723D5B7_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C4=NC(=NS4)C5=CC=CC=C5)(=O)=O)Cl,NCHWCXJYIAXFFA-UHFFFAOYSA-N
|
| 20351 |
+
06D3985C802D9BB6_3861BF46E05497DB_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC2=CC(=C(C=C2)F)[N]3N=NN=C3C4CC4)F,RRVPGYYXJHVFDE-UHFFFAOYSA-N
|
| 20352 |
+
0945FE92EB1FA3B9_6A85294667167D8D_6038_UN,COC(=O)N2CC(OC(C1CC(C(C)(C)C)(C)C1)=O)C2,VSYPKUKMXHITBD-UHFFFAOYSA-N
|
| 20353 |
+
0A2B4B55E15879C3_883A7591EB6F4093_6041_UN,C[Si](C)(C)C1=NC(=CS1)NC2=C(C=CC(=C2)[N]3N=NN=C3C4CC4)F,OBMAHBJOOLIWBM-UHFFFAOYSA-N
|
| 20354 |
+
0A34B7582C585FFE_F6E7600589ED9E13_6038_UN,O(C1CCCC(C1)C#N)C(=O)CC34CC2CC(CC(F)(C2)C3)C4,MDGOMMJZAMVCJC-UHFFFAOYSA-N
|
| 20355 |
+
0FB4932C1425A217_28869FD45F21F394_6034_UN,SC3=NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)N3CC4CO[S](=O)O4,RXVGVVDWYOEZSN-UHFFFAOYSA-N
|
| 20356 |
+
1124F06B1262AEAD_56EBF4E1F1E0247D_6038_DP,COC(=O)C[C@@H]2C[C@H](NC(C1=CCNCC1)=O)C2(C)C,GHCNMBKKVUIIFZ-RYUDHWBXSA-N
|
| 20357 |
+
112B130A76EBE1E6_490909F80C786725_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC[C@@H]2CCO[C@@H]2C3=NC=N[NH]3)F,ZJSRWWOTYMDZPK-GWCFXTLKSA-N
|
| 20358 |
+
11C89A14B1A59698_2B9C8781F9541232_6029_UN,N(C2=C1N=C(C=CC1=CC=C2)Cl)[S](C3=CSC4=CC=CC(=C34)O)(=O)=O,RFPNCAVSTJVFGC-UHFFFAOYSA-N
|
| 20359 |
+
124302A000C26B31_0BD1929E6D73B437_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NCCC2=C[N](N=N2)C3COCC3)F,WXYALNFSCSNQPD-UHFFFAOYSA-N
|
| 20360 |
+
12688DFCFF0BED56_B3095D8BE0BCD91C_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC4=C(C2=NN=N[N]2[C@@H]3C[C@H]3C)C=CC=C4C)F,PHXQUYIKIBAQRP-UKRRQHHQSA-N
|
| 20361 |
+
128B8CCCF8815120_3CED7A496319BCF8_6041_UN,O=[N](=O)C2=C1N=CC=CC1=CC(=C2)NC3=C(N=CC=C3)[N]4C=CC=C4,VEYKUAYWTYWMQT-UHFFFAOYSA-N
|
| 20362 |
+
157A436DF5072BB0_B5A051365649B98F_6038_DP,CCOC(=O)C3=C(NC(C2C[C@H]1CNC[C@H]1C2)=O)CCC(C)C3,DBUPSULZWWZHRP-LLZFXZEUSA-N
|
| 20363 |
+
1696FE4C9851E827_FCFA3FEFAE08D305_6004_UN,O=[N](=O)C1=C(C=CC=C1)[N]2C=C(C=N2)C3=CSC4=C3C=CC=C4,MDKHQQTXFHLMHG-UHFFFAOYSA-N
|
| 20364 |
+
16DB884CF3C78B14_220DEB83D38D3755_6038_UN,CCOC(=O)C23CC(COC(C1=C(SN=C1OC)OC)=O)(C2)OC3,DCMPTLANNWAFDT-UHFFFAOYSA-N
|
| 20365 |
+
178085A13E1716D1_C6E2DB040DB3E9A1_6041_UN,C[Si](C)(C)C1=NC(=CS1)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,UKRXDJHGSXHJLK-STQMWFEESA-N
|
| 20366 |
+
19429C399BD8AC37_82C765087C86903D_6038_UN,O(C1CCCCC(C1)C#N)C(=O)C34CC2CC(CC(F)(C2)C3)C4,CECWXAXFRDEGQF-UHFFFAOYSA-N
|
| 20367 |
+
19ED2CEE4E1F36F7_CCF36B1806F3F8D8_6031_UN,NC[C]1(C[C](C1)=[CH2])C(=O)OCC2=NC3=C([NH]2)C(N(C)C(=O)N3C)=O,YWXYDUQPNHZHOY-UHFFFAOYSA-N
|
| 20368 |
+
1B3152C7D0B317AB_56F5C9F0FA5B6C62_6031_UN,O(C(=O)CN1C=C(C#N)C(=O)NC1=O)C[C@H]3C[C@@H]2NC[C@@H]2C3,HQTQVDMGPLHDBZ-YWVKMMECSA-N
|
| 20369 |
+
1CB29E43EE2219FA_7D409AEC0B74542E_6034_UN,O=[N](=O)C1=CN(C(=N1)[N](=O)=O)CC23CCC(CN)(CC2)OC3,HJHRXYZQBQFHRS-UHFFFAOYSA-N
|
| 20370 |
+
1EC76F634B401407_E7C316E1BB2E5EAE_6035_UN,O(C1CCC(=C1)C2=CC=C(C=C2)Cl)C4=C3C=NNC(C3=CC=C4)=O,KMFZIOQYTDGAHN-UHFFFAOYSA-N
|
| 20371 |
+
1F1A612E76BA61C7_088643019AB37DC0_6028_UN,N(C2=C1C=CC=C(C1=NC=C2)I)[S](C4=NN=C5[NH]C3=C(C=CC=C3)[N]45)(=O)=O,KLASHOPPLUYYDT-UHFFFAOYSA-N
|
| 20372 |
+
26461D44B0777E4C_FF4904BD30874D4E_6039_DP,O(C1=CC(=CC=C1)OCC#N)CC3CC2(CNC2)C(O3)=O,PQIVVLMCPTWHCK-UHFFFAOYSA-N
|
| 20373 |
+
28409037CCF42481_9A15F95D57965EE6_6039_UN,O(C1=COC=CC1=O)CC2=CC(=CC3=C2OC(OC3)C4=CC=CC=C4)F,VDRWXNUKTIRDLI-UHFFFAOYSA-N
|
| 20374 |
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29219303F3B62B4D_099EEA07264D8694_6034_UN,CC1(CC(=O)N(C1=O)C[C@H]3[C@H]2CNC[C@H]2C3)C4=CSC=C4,IRMKERQUPXOQGH-MCYFVWBLSA-N
|
| 20375 |
+
2B25C6199BAA8309_41308B9BEBF8E55C_6041_UN,SC1=C(C=C(C=C1)C#N)NC3=C2C=CC=CC2=NC4=C3COC4,DIHOUTLSDDIGNH-UHFFFAOYSA-N
|
| 20376 |
+
2C894E8D0DABDE6C_2B8402AA614613CD_6034_UN,CC1=C(C#N)C(=O)N(C(=O)N1C2CC2)CC3C(CNCC3)C4=CC=CC=C4,AZMFRRRBMVXACM-UHFFFAOYSA-N
|
| 20377 |
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2D5C7A1CD4C86E99_A82545FC7C6BDA29_6041_UN,C1(=CC=C(C=C1)OC=C)NC34CC2CC(CC(C)(C2)C3)(C4)C,UFRBLLQDWKGYIR-UHFFFAOYSA-N
|
| 20378 |
+
2F8FA45B2DD61F83_60740CBA764551CE_6034_UN,FC1=CC=C(C=C1)C=C2CC(=O)N(C2=O)C[C@H]3[C@@H](CNC3)C4CC4,CQILRHXESGICAB-RDJZCZTQSA-N
|
| 20379 |
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314B6503B0D126DD_917F61C685D0B671_6031_UN,COC(=O)C13CC(C1)(C(=O)OCC2CCCCC2(C)C)C3,PAGYDSHUTXLJNP-UHFFFAOYSA-N
|
| 20380 |
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325D77BAB9F07A62_97ED04CF3F884733_6039_DP,COC(=O)[C@@H]2CC[C@H](COCC(NC1CCNCC1)=O)O2,UBZQKNWARHIYFD-NEPJUHHUSA-N
|
| 20381 |
+
32F672EA8EC6C21C_06AC942A205CA980_6041_UN,CC1CCC(CC1)OC2=NC(=NC=C2)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,YPBYHMQRTHTFFY-SAGYGOJTSA-N
|
| 20382 |
+
32F724EE2EA47291_BD964778A5D23CD9_6038_UN,N(C1=CC=C(C=C1)SC#N)C(=O)CC2CCC(O2)C3CC3,VNXWWCMDGNUOHN-UHFFFAOYSA-N
|
| 20383 |
+
330A76EEEC2817F6_2E1DBA66FDB5499D_6038_DP,CC[C@@H](NC([C@H]1CN[C@@H](CC1)C2CCC2)=O)CC(=O)OC,ZWFMJGRISLFQQX-MCIONIFRSA-N
|
| 20384 |
+
33BE99DFFA8EBD1B_4CCEB711AFE5878E_6038_UN,O(C1CCC(C1)C#N)C(=O)C34CC2CC(CC(F)(C2)C3)C4,SJONAKORPAKBTH-UHFFFAOYSA-N
|
| 20385 |
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34E05D6A3C22734F_1F29C3D7D40BC115_6029_UN,OC1=CC3=C(C=C1)N(C2=C(C=CC=C2)S3)[S](C4=C(C=CC(=C4)Cl)[N]5C=NN=N5)(=O)=O,NKUJOYKUDNNRAQ-UHFFFAOYSA-N
|
| 20386 |
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3509568E27F3E113_761BBFF94E58F519_6041_DP,C1(=CC(=CC=C1)N3N=C2CCCC2C3=O)NC4=C(CNC4)C#N,KCFXJKXFHBURFR-UHFFFAOYSA-N
|
| 20387 |
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3537B865B331C71F_52E34E773D82E493_6035_UN,O(CC1=CSC(=N1)C2OCCO2)C3=CC4=C(C=C3)C(=O)C(=O)C=C4,FOMVHRWHYTWOAQ-UHFFFAOYSA-N
|
| 20388 |
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3A3F3F55E89AF1FC_912A8BC8DDE7385C_6031_UN,COC(=O)C23CC(CC(=O)OCC1CCCC1(C)C)(C2)C3,CMSNNWUPVQPRCL-UHFFFAOYSA-N
|
| 20389 |
+
3B2CB4ED0693495E_A3A1E3E530DB5C42_6031_DP,OC(=O)CC(C)(C#N)C(=O)OC[C@H]1[C@@H](CNC1)C2CC2,GGVXJVDRAQPYQK-RFMBEDMFSA-N
|
| 20390 |
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3D5E75D8938B7502_CF47383B30FDACEF_6034_UN,FC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CC4COC(=O)O4)=O,IBRBKGQETKPHOC-UHFFFAOYSA-N
|
| 20391 |
+
3F1B939562DB02EF_AF2951F63E3747CF_6038_DP,CCOC(=O)[C@H]1[C@H](CCC=CCC1)NC([C@H]2NCC[C@@H](CC(C)C)C2)=O,UCYMCQHGOTVBPW-RDGPPVDQSA-N
|
| 20392 |
+
469FF7965615224F_7D6EC7A596708347_6038_UN,O(C[C@H]1CC[C@H](CC1)C#N)C(=O)C23CCC(F)(CC2)CC3,NWXBPNAHIOJVLC-CBHXASLJSA-N
|
| 20393 |
+
46C990846599A911_946767DF165EA4EB_6038_DP,CCOC(=O)C(NC([C@@H]1[C@H]2CN[C@@H]12)=O)CC3CCCCC3,QFWYKHCMQXMTST-ZXCYLUJYSA-N
|
| 20394 |
+
55BDB283D7C83E7C_0978DB3AA96A01E2_6031_UN,COC(=O)C34CC(CC(=O)OCC2(C)CC1CC1C2)(C3)C4,CJGYOAURAVNTRV-UHFFFAOYSA-N
|
| 20395 |
+
58E082A2A07404DE_FAA6A5A229CD3DB2_6038_DP,COC(=O)C(NC([C@H]1[C@@H](CNC1)C2CC2)=O)CC#CC,DCESOMRCUXGWIB-LAGVYOHYSA-N
|
| 20396 |
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59380DB130B1C6BE_0D4DCAA975D7E684_6038_DP,COC(=O)[C@H](NC(CN[C@H]1CCNC1)=O)C3=CCC2C(C2)C3,WVFDRKHEDSQQRQ-IPGBYFFOSA-N
|
| 20397 |
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597BAC135E615EE0_138C6E52F570B50B_6034_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)C4=CC(=O)OC(C)C4)Cl,LWCRCJPPZPXPGE-UHFFFAOYSA-N
|
| 20398 |
+
5AFD606840D03D4F_2429B09212F8D2D0_6038_UN,CCC3=C(OC(CC1=C(C)C2=C(NC1=O)N(NC2=O)C)=O)C(=O)CC3,FRLRPDGVBWWJMZ-UHFFFAOYSA-N
|
| 20399 |
+
5E94E0FEA30FA4A2_FB18D083CB05CCCF_6038_DP,CSCC[C@H](NC([C@@H]1C[C@H]1C2CCNCC2)=O)C(=O)NO,ZPOOOFGAOAPQPQ-TUAOUCFPSA-N
|
| 20400 |
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5ED07858888ACAFB_8F3D2BE1A91C799A_6028_UN,N(C1=CC2=C(C=C1)C(=CC=C2)Br)[S](C4=C3C=CC=CC3=NN=N4)(=O)=O,DDFCEBHFYNOGSV-UHFFFAOYSA-N
|
| 20401 |
+
62E0DEB0FC7514F2_5BCD075525F4F3E3_6041_UN,C2(=C1OCOC1=CC(=C2)CC#N)NC3=C(C(=CC=C3)F)S,LXXANWRLEPHBKQ-UHFFFAOYSA-N
|
| 20402 |
+
641A00215A8A05B4_55A19C2B94B6E354_6034_UN,O=[N](=O)C4=CC1=C(N=CN(C1=O)CC3=CC2=C(C=CC=C2)O3)S4,LGQPJKWDKJOJBX-UHFFFAOYSA-N
|
| 20403 |
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64840DCCFD384EDA_E59464A3E6210038_6034_UN,CC1(CC(=O)N(C1=O)C[C@H]2[C@@H](CNC2)C3CC3)C4=CC=C(C=C4)Cl,WPNDWSAALDFCGL-OHWIQJHBSA-N
|
| 20404 |
+
64E8C7FA83CB5A0D_B9B55E0447575282_6038_DP,O(CCN1C=C(C#N)C(=O)NC1=O)C([C@@H]2C[C@H]2C3CCNCC3)=O,HRDLXSUEKYMHIL-QWHCGFSZSA-N
|
| 20405 |
+
65E70C98131A5284_04646F38A105B15C_6041_UN,CC1=NN=C([N]1C)NC[C@@H]2C[C@@H](CN2CC3=CSC(=N3)C)F,RFPVBZIJEKYRGN-AAEUAGOBSA-N
|
| 20406 |
+
6A4FD533CB8993B4_4D9E00D225715A4D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CC4=C(C=C3)OC(C)C4,BCVLURRSAVNDES-UHFFFAOYSA-N
|
| 20407 |
+
6D392CFB1F872181_63251688BB743774_6034_UN,COC2=C(C=C1C(N(C=NC1=C2)CC34CC(C)(C3)OC4)=O)Br,WCDRZDCKKPKGFM-UHFFFAOYSA-N
|
| 20408 |
+
6D9C9E7BC637EC77_2341AD38F0D223DB_6028_UN,N(C2=C1N=CC=C(C1=CC=C2)Br)[S](C4=NN=C5[NH]C3=C(C=CC=C3)[N]45)(=O)=O,RUUDEQCLHFAQHU-UHFFFAOYSA-N
|
| 20409 |
+
6FAD7627439BD290_77C8169D9BE77AF3_6038_UN,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)OC(C34CC(C)(C3)C4)=O,ZSLQTKXYGLNECY-UHFFFAOYSA-N
|
| 20410 |
+
715729DAE4783CC1_5026554DB3E20D0C_6004_UN,O=[N](=O)C2=C1C=NC=CC1=C(C=C2)C4=C3C=CC=CC3=CC=C4Cl,RHWOEKWTRQGJPD-UHFFFAOYSA-N
|
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