Added 147 molecules from epoch 15601 for P23975
Browse files- P23975_molecules.csv +147 -0
P23975_molecules.csv
CHANGED
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@@ -17438,3 +17438,150 @@ FC959A9F49F771AC_06665E861EEBDECD_7019_UN,C(C12CCC(CC1)CC2)=CC3=C(C)C4=C(S3)C(=C
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| 17438 |
FCBF5A750D325B41_111A5938CFAA50A9_6029_UN,N(CCC1OC2=C(OC1)C=CC=C2)[S](C3=CC=CC(=C3)C(O)C#N)(=O)=O,GDYGTDOABXGNOW-UHFFFAOYSA-N
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| 17439 |
FCE13BA32FE9EEC8_B46408459AA538BB_6039_DP,N3CCC(OCC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)CC3C4=CC=CC=C4,WSTANEGLFQHHFX-UHFFFAOYSA-N
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| 17440 |
FDE06D7762592766_46FD84F6898E2D69_6029_UN,N(CCC1OC2=C(OC1)C=CC=C2)[S](C3=CC=C(CC(C)C(=O)O)C=C3)(=O)=O,QRRVUKLQWYWFKC-UHFFFAOYSA-N
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| 17438 |
FCBF5A750D325B41_111A5938CFAA50A9_6029_UN,N(CCC1OC2=C(OC1)C=CC=C2)[S](C3=CC=CC(=C3)C(O)C#N)(=O)=O,GDYGTDOABXGNOW-UHFFFAOYSA-N
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| 17439 |
FCE13BA32FE9EEC8_B46408459AA538BB_6039_DP,N3CCC(OCC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)CC3C4=CC=CC=C4,WSTANEGLFQHHFX-UHFFFAOYSA-N
|
| 17440 |
FDE06D7762592766_46FD84F6898E2D69_6029_UN,N(CCC1OC2=C(OC1)C=CC=C2)[S](C3=CC=C(CC(C)C(=O)O)C=C3)(=O)=O,QRRVUKLQWYWFKC-UHFFFAOYSA-N
|
| 17441 |
+
03E98D27DF9507A0_369C27E62659EC80_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NC4=C3COC(C3=CC=C4)=O,AQEWZOIJFDTDTI-UHFFFAOYSA-N
|
| 17442 |
+
0403A96B2929CF45_0BDD7E886EED23D5_6039_UN,O(C1=C(C2=C(C=C1)C=CC=C2)N=O)CCCC[S](C)(=O)=O,PWPUTZWNPPYJLR-UHFFFAOYSA-N
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| 17443 |
+
0403A96B2929CF45_19FD884D74EF1548_6039_UN,O(C1=C(C2=C(C=C1)C=CC=C2)N=O)CCCC[S](C)(=O)=O,PWPUTZWNPPYJLR-UHFFFAOYSA-N
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| 17444 |
+
0403A96B2929CF45_7D504E6D29F512A7_6039_UN,O(C1=C(C2=C(C=C1)C=CC=C2)N=O)CCCC[S](C)(=O)=O,PWPUTZWNPPYJLR-UHFFFAOYSA-N
|
| 17445 |
+
04531A820C47EFA8_97185D01726E3627_6029_UN,CCN(C1=C(C=CC=C1)C)[S](=O)(=O)N[S](C2=C(C=CC=C2)I)(=O)=O,TVZYQGCALQSLRM-UHFFFAOYSA-N
|
| 17446 |
+
0593A419C10CE8B2_5A04F423373E375F_6041_UN,OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)N[C@H]3[C@H](COC3)F)F,JZSNHAJAMCQJCN-WCBMZHEXSA-N
|
| 17447 |
+
05FA2FC4713CDE0A_43B28C449ABD4C55_6041_UN,C[N]1C=NC(=C1OC2=CC=C(C=C2)NC3=C(C=CC=C3)[S](=O)(=O)O)[N](=O)=O,BQOWTXBWANRKDP-UHFFFAOYSA-N
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| 17448 |
+
0645CFB433189552_74E786281FBF6F9B_6035_UN,CCCC(COC1=CC3=C(C=C1)OC2(CCCC2)O3)OC,YXSXZAHFPYDKBI-UHFFFAOYSA-N
|
| 17449 |
+
066C2B2DDB190897_2D971F9190E0F6C8_6038_DP,N3CCO[C@@H](COC(=O)C1=C(C=C(C=C1)F)C2CC2)C3,JHCJPYPBKKWOKB-GFCCVEGCSA-N
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| 17450 |
+
079D36BE6881CA7B_26F3F28FEF571B50_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2CCOC23CCCCC3,CSLZPCHDEGWUAM-UHFFFAOYSA-N
|
| 17451 |
+
0D5E2D2B451549A3_E2EB0FD1F777904B_6034_UN,C(C1COCCN1)C2=CN(C3=C2C=CC=C3)C[C@@H]4COC(=O)N4,LYWYGPUUJIICPO-ARLHGKGLSA-N
|
| 17452 |
+
0FF47F6568403D77_2A96B3617E7DB2A7_6028_UN,CCN(C1=C(C=CC=C1)C)[S](=O)(=O)N[S](C2=CC=C(C=C2)Cl)(=O)=O,BEPSNXGLIJZJPC-UHFFFAOYSA-N
|
| 17453 |
+
11FC6C674758B660_065812EBCBA2B982_6034_UN,C4CC1=C(C3=C(N1CC2COC(=O)N2)C=CC=C3)CN4,JAUBODFVKNNIMT-UHFFFAOYSA-N
|
| 17454 |
+
12CD57A14449EE33_43F93708C0CA85F4_6031_UN,O(C(=O)[C@H]1CSCN1)CC2=CC=C(C=C2)C3(F)COC3,MFBXULGBGXCRPY-GFCCVEGCSA-N
|
| 17455 |
+
13A114BFE9094CF6_FBF840EBA2C00031_6043_UN,CC(=C)C1=CN=C(C=C1)N[S](=O)(=O)C2=C(C=CC(=C2)Cl)[N](=O)=O,RQMCZDOAKRYXLU-UHFFFAOYSA-N
|
| 17456 |
+
143CED61CC3C7986_DC847F3B9C8B5D4E_6031_DP,O(C(=O)CC2COC1=C(C=CC=C1)O2)CC3(NCCNC3)C,YRQVMJVGZPFFRI-UHFFFAOYSA-N
|
| 17457 |
+
16C29A01A64E1603_BA64849AFA8EC399_6035_DP,O([C@@H]1COC(=O)C1)C3=CC=C(C[C@@H]2COCCN2)C=C3,RAJFAZXXRFYTBO-OCCSQVGLSA-N
|
| 17458 |
+
18C4F62631745923_B43F89F0B5EAE6CA_6031_UN,O(C(=O)C2=NOC1(CNC1)C2)CC4CSC3=C(C=CC=C3)O4,RQHFPWWSPVNTBS-UHFFFAOYSA-N
|
| 17459 |
+
1B7DC657B32D5A0C_1162C20EBFD859B6_6041_DP,OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)NCC3COCCN3)F,QJCCHJBARIWNAB-UHFFFAOYSA-N
|
| 17460 |
+
20C436F5480BED3A_8F3F75BAA97F6077_6043_UN,CC1=CSC=C1N[S](=O)(=O)C2=C(C=CC(=C2)Cl)[N](=O)=O,SRIHXYGOOZUYFY-UHFFFAOYSA-N
|
| 17461 |
+
27EE6DC337C335ED_E46B74D57E0F663F_6029_UN,CCN(C1=CC(=C(C=C1)F)C)[S](C2=C(Cl)SC=C2)(=O)=O,KYVSSVHZVRIPHP-UHFFFAOYSA-N
|
| 17462 |
+
33245F931BBB4980_EE0A469D1F13E164_6034_DP,CC1=CC2=C(C=C1)OC(=S)N2CC(C3CCNCC3)F,HOFXEEXYQWRNKP-UHFFFAOYSA-N
|
| 17463 |
+
3428AA1C51C8AEAB_8F0B48E0A5B8F5E0_6035_UN,O(C1=CC(=O)NC(=O)N1C2CC2)C3=CC=C(CCN)C=C3,FQBHPNCPMLYCND-UHFFFAOYSA-N
|
| 17464 |
+
3593518C95C35C79_43DCA5EC33812AB8_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3CN(C3)C(=O)N,YOJZKGQJJNCLRR-UHFFFAOYSA-N
|
| 17465 |
+
371973997468308D_5F81D566AA331E26_6041_UN,C[Si](C)(C)C1=C(C=CC=C1)NC2CCC3(CC2)CCCC3,AFXHTIQVJSGEPD-UHFFFAOYSA-N
|
| 17466 |
+
37A1C1421AC001BD_008FD9455EB27ED1_6003_UN,O(CC1=COC(=N1)C2CC2)C3=C(C=CC=C3[N](=O)=O)C#N,REMORAYJTRHZFX-UHFFFAOYSA-N
|
| 17467 |
+
37C65B228E293FDE_A90D153E87B53BC6_7013_DP,[NH]2C1=CC4=C(C=C1N=C2C3=CC=CC(=C3[N](=O)=O)OC)OCO4,SQLGDURCGBUZSJ-UHFFFAOYSA-N
|
| 17468 |
+
38F115A5E507174C_EC76F14F5AC9A878_6028_UN,CCN(C1=C(C=CC=C1)C)[S](=O)(=O)N[S](C2=CC=C(C=C2)Br)(=O)=O,WRTGSGXJRMQFSD-UHFFFAOYSA-N
|
| 17469 |
+
3AC99DF3C587571E_EB6A16826DC8C71C_6041_UN,C[Si](C)(C)C1=C(C=CC=C1)NC2CCOCC23CCC3,MSCBDULREPEQDT-UHFFFAOYSA-N
|
| 17470 |
+
3BB76BA9DE5AB97F_F3699181C54EC840_6034_UN,CN1NC(=O)N(C1=S)CC(N2CCNCC2)C3=CC(=CC=C3)Cl,IOFKXHQDWUTKLV-UHFFFAOYSA-N
|
| 17471 |
+
3C1D490BD92B627E_B18FAB73D2A5CC45_6003_UN,CC1=C(C(=CC=C1)C)OC2=C(C=C(C(=C2)C)[S](=O)(=O)Cl)[N](=O)=O,IOCGDOBIPOJUAD-UHFFFAOYSA-N
|
| 17472 |
+
3E275A810D652EAE_489824F58ADB5DCB_7022_UN,C1(=CC=C(C=C1)F)OC2(C)CCCCC23CCCCC3,RYXHJHJSHIYSDJ-UHFFFAOYSA-N
|
| 17473 |
+
3EC010603CB057B4_6E364BB9FCAD24F5_7019_UN,C(C2C1=C(C=CC=C1)OC3=C2C=CC=C3)=CC4CCCCC4CC,FXSLXEOBXHBIFT-UHFFFAOYSA-N
|
| 17474 |
+
4051DB36B7193510_E610E4C872B007E8_7009_UN,CC1=CC=C(C=C1)[S](=O)(=O)NC(CCCN(C)N=O)=O,SEIXAQIEIRMEJD-UHFFFAOYSA-N
|
| 17475 |
+
41D27A258827E7A2_835D04492D7E1965_7022_UN,C1(=CC=C(C=C1)Br)OC2(C)CCCCC23CCCCC3,HYOLWQCNUNYMIB-UHFFFAOYSA-N
|
| 17476 |
+
41FD039AF2184DE3_0823064B8B1ADF49_6038_DP,N(C1=CC=C(C=C1)C(=N)Cl)C(C2CNC3(CO2)CC3)=O,TXHMBTPKTIKMJQ-UHFFFAOYSA-N
|
| 17477 |
+
44EB26B885CAB7F6_2030A8E7CB24CD3F_7019_UN,CSCC2(C=CC1=C(O)C=CC(=C1)CCl)CCOCC2,MJOHLTKBTQVOCN-UHFFFAOYSA-N
|
| 17478 |
+
45F959948D28C99F_861636D0130E13B2_6041_DP,C[Si](C)(C)C1=C(C=CC=C1)NC2C3(C(O)C2)CCOCC3,AEAKMQSBOXLESV-UHFFFAOYSA-N
|
| 17479 |
+
4966F867F0E07B52_C03BD2F176E192C3_6031_UN,O(C(=O)C1=CCNCC1)CC(N)CC2=CC=C(C=C2)I,DBVIGTXHFSNASJ-UHFFFAOYSA-N
|
| 17480 |
+
497D64E0BE081FCE_772C44D0EB3A3EC1_6031_DP,N1C[C@@H](NCC1)C(=O)OCC3COC2=C(C=CC=C2)O3,NFGUDOZLARFWIQ-RRKGBCIJSA-N
|
| 17481 |
+
4DF173A37B32E4A7_DF9C9C771D091A9C_7013_DP,[NH]2C1=CC4=C(C=C1N=C2C3=C(C(=C(C=C3)[N](=O)=O)OC)O)OCO4,LROYPBLTMCPYSC-UHFFFAOYSA-N
|
| 17482 |
+
4EB71DA215CF3F5A_256D1E320190A7C5_6038_UN,C[N]1C=CC=C1CNC(=O)C3=C(C=C2OCOC2=C3)[N](=O)=O,JMALRSHYZISYSD-UHFFFAOYSA-N
|
| 17483 |
+
51D098CAF08A7E7B_C80AA8E2F9ADD100_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2CCC3(CC2)CC3,CURDZAWWLMXUJU-UHFFFAOYSA-N
|
| 17484 |
+
52D03874AB3AB6C3_419C764A93544870_6041_DP,CN1CCC2=C1C=CC(=C2)NCC(C3CCNCC3)F,DLOBJGDVXGKLJU-UHFFFAOYSA-N
|
| 17485 |
+
52D03874AB3AB6C3_4B2AE03444752CDF_7022_DP,CN1CCC2=C1C=CC(=C2)NCC(C3CCNCC3)F,DLOBJGDVXGKLJU-UHFFFAOYSA-N
|
| 17486 |
+
53A58D7761A2A2E8_58DEC78FB2BE4462_6028_UN,CCN(C1=C(C=CC=C1)C)[S](=O)(=O)N[S](C2=CC(=CC=C2)I)(=O)=O,PHZDYIMEBTWFDB-UHFFFAOYSA-N
|
| 17487 |
+
53A58D7761A2A2E8_D67895AC535F6BE5_6029_UN,CCN(C1=C(C=CC=C1)C)[S](=O)(=O)N[S](C2=CC(=CC=C2)I)(=O)=O,PHZDYIMEBTWFDB-UHFFFAOYSA-N
|
| 17488 |
+
5477C2AE7A83E37C_9A12B80E31168E6A_6038_UN,CC1=C2C(=CC=C1)OCC(C2)NC(=O)CC3=C(C=CC=C3)[N](=O)=O,YQZQVUQJPUMQOY-UHFFFAOYSA-N
|
| 17489 |
+
55DB7C76B4DA0406_5F1BEF69FC27B27F_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OC2CCCOC23CCOCC3,CHAGHSUBDXNQGL-UHFFFAOYSA-N
|
| 17490 |
+
59E7F666580EE3B8_E3AA264F684F4607_7009_DP,CC(C1=C(C=CC=C1)F)[S](=O)(=O)NC(C2(CNC2)C)=O,CVQIYUVDCCFIMQ-UHFFFAOYSA-N
|
| 17491 |
+
5AFF2E6AA9464FA7_B0A692355A4C4F6E_6029_UN,CN1C(C=C(C(=C1)Br)N[S](C2=CC=C([N](=O)=O)S2)(=O)=O)=O,QJCYBHICARWRBM-UHFFFAOYSA-N
|
| 17492 |
+
5BB8A35CA742512B_621EA59D41ED776F_6041_UN,OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)NCC3OCOCC3)F,DTQPFNGUCFIYBO-UHFFFAOYSA-N
|
| 17493 |
+
5BF23D491EF53674_925390DC2975EFBC_6039_UN,CC1=CC2=C(C=C1)C=CC(=C2)OCCCC[S](C)(=O)=O,MDEFFPFGJCDWKH-UHFFFAOYSA-N
|
| 17494 |
+
5BF23D491EF53674_E4DEA0396E6DDECE_6039_UN,CC1=CC2=C(C=C1)C=CC(=C2)OCCCC[S](C)(=O)=O,MDEFFPFGJCDWKH-UHFFFAOYSA-N
|
| 17495 |
+
5BF23D491EF53674_F6FE56FC746FE853_6039_UN,CC1=CC2=C(C=C1)C=CC(=C2)OCCCC[S](C)(=O)=O,MDEFFPFGJCDWKH-UHFFFAOYSA-N
|
| 17496 |
+
5C88AF89B1ADD022_1F5C2D5D8263A70F_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NCC(C)C2=NC(=CS2)C,YHVLDKMGPLPVBW-UHFFFAOYSA-N
|
| 17497 |
+
5E94E746D2F4F9A5_398AD9844E2AFF85_6041_UN,OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)NC3COCCOC3)F,LFMHZRXUMNWNDX-UHFFFAOYSA-N
|
| 17498 |
+
62ADCF81ED74E6BC_43AC9EB5EA0478DD_6038_UN,N(C1=C(C(=CC=C1)F)[N](=O)=O)C(=O)C2=C[N]3C(=N2)COCC3,ZMNKXOXHQYAPCF-UHFFFAOYSA-N
|
| 17499 |
+
6312E9360748512C_A8C2750A974A9EA2_6026_UN,CC1=C(C=CC=C1[N](=O)=O)[S](=O)(=O)NCC(C)C2=NC=CS2,DDEYWUXHYVFUTQ-UHFFFAOYSA-N
|
| 17500 |
+
66F6E8CDCF16F9DD_13C48453DB6874BF_7022_UN,C1(=CC=C(C=C1)Cl)OC2(C)CCCCC23CCCCC3,CMNXIHHUGADKAB-UHFFFAOYSA-N
|
| 17501 |
+
6A3FCD7A62648AF5_317899C1ECA2E1D7_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NC2=C(C=CC=C2)N3CCOC3=O,GSTVIRLLMQLZCF-UHFFFAOYSA-N
|
| 17502 |
+
6A3FCD7A62648AF5_E58F7F87B297F064_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NC2=C(C=CC=C2)N3CCOC3=O,GSTVIRLLMQLZCF-UHFFFAOYSA-N
|
| 17503 |
+
6D752C891CDEF63A_2A5D2DF694ADAF9C_6004_UN,C2(=C[N]1CCCNC(C1=C2)=O)C3=CC=CC(=C3)C(N)=O,KJGNOMMQAZJIKO-UHFFFAOYSA-N
|
| 17504 |
+
6D752C891CDEF63A_BFB127C042D163DC_6005_UN,C2(=C[N]1CCCNC(C1=C2)=O)C3=CC=CC(=C3)C(N)=O,KJGNOMMQAZJIKO-UHFFFAOYSA-N
|
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