Added 221 molecules from epoch 15585 for P23975
Browse files- P23975_molecules.csv +221 -0
P23975_molecules.csv
CHANGED
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@@ -13029,3 +13029,224 @@ FB3030D9481A3337_67EA1FDF669C0BD1_6038_UN,C[S](=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=NC=
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| 13029 |
FC142BED12E36A50_D1C64922DF4549BB_6038_DP,CC3(C)O[C@@H]2C=C[C@@H](OC(C1([S](C)=O)CCNCC1)=O)[C@@H]2O3,NQLOUJWYEVFZNJ-PMHURDJOSA-N
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| 13030 |
FCA250891E80A9C9_58DB2DB0D197C22C_6038_UN,C[S](=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=NC=C(C=C2)OC3=CC=CC=C3,ASRYFEKCVNJPLL-UHFFFAOYSA-N
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| 13031 |
FEC6E9B6AC83D14A_65482AC71E985647_6041_DP,CN1C(=O)OC2=C1C=CC(=C2)N[C@H]3[C@H](CCNC3)C4=CC(=CC=C4)F,REJIWJXEGYTUQG-HZPDHXFCSA-N
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| 13029 |
FC142BED12E36A50_D1C64922DF4549BB_6038_DP,CC3(C)O[C@@H]2C=C[C@@H](OC(C1([S](C)=O)CCNCC1)=O)[C@@H]2O3,NQLOUJWYEVFZNJ-PMHURDJOSA-N
|
| 13030 |
FCA250891E80A9C9_58DB2DB0D197C22C_6038_UN,C[S](=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=NC=C(C=C2)OC3=CC=CC=C3,ASRYFEKCVNJPLL-UHFFFAOYSA-N
|
| 13031 |
FEC6E9B6AC83D14A_65482AC71E985647_6041_DP,CN1C(=O)OC2=C1C=CC(=C2)N[C@H]3[C@H](CCNC3)C4=CC(=CC=C4)F,REJIWJXEGYTUQG-HZPDHXFCSA-N
|
| 13032 |
+
009CB34A67FA5B34_62909AC41B313682_6028_UN,CC(N[S](C2=NN=C(C1=CC=C(C=C1)Cl)[N]2CC=C)(=O)=O)CC3=CC=C[N]3C,HMTHSGJJYLBBCP-UHFFFAOYSA-N
|
| 13033 |
+
01D9DB95F689E34A_18129891577F9580_6028_UN,CC(N[S](C2=C1C=CC=CC1=NC=N2)(=O)=O)CC3=CC=C[N]3C,GOSSFBFJKMTYHC-UHFFFAOYSA-N
|
| 13034 |
+
023C37BA9BA53B06_33B49F4B9A18FEC0_6041_DP,C[Si](C)(C)CC1=C(C=CC=C1)NCC2CCNCCC2,PAGYQTAXQFSPPA-UHFFFAOYSA-N
|
| 13035 |
+
036A3EB14B48E119_5D225E65E1543427_6028_UN,CC(N[S](C1=NN=C([N]1C2=CC=C(OC)C=C2)C)(=O)=O)CC3=CC=C[N]3C,HBDMASGIAVENGT-UHFFFAOYSA-N
|
| 13036 |
+
055D8D044AEBCC4D_2FF1C1B6ADB997E4_7022_UN,CC1=C(C=CC(=C1)OC(CCC)CBr)OC2CCOC2,JKBFAOPKSQHHOS-UHFFFAOYSA-N
|
| 13037 |
+
0571CB45D5B60C62_29E6D07434866FE1_6028_UN,CC(N[S](C1=NC2=C([N]1CCCC)C=CC=C2)(=O)=O)CC3=CC=C[N]3C,SAZGAPMJHJJBEN-UHFFFAOYSA-N
|
| 13038 |
+
08987A60D0B7DFA2_F529B841FBB3A43D_6028_UN,CC(N[S](C1=C(C=C(C(OCC)=O)C=C1)F)(=O)=O)CC2=CC=C[N]2C,XJQJZRFKWBRSNB-UHFFFAOYSA-N
|
| 13039 |
+
0A81F86E7609CAF1_79A504F6BF352710_6028_UN,CC(N[S](C2=NC1=C(C=NC=N1)[NH]2)(=O)=O)CC3=CC=C[N]3C,QLGAHRKXCGMOMQ-UHFFFAOYSA-N
|
| 13040 |
+
0A88206974D62B43_2A0E93FBCD231C0B_6028_UN,CC(N[S](C2=NC1=C(C=CC=C1)[NH]2)(=O)=O)CC3=CC=C[N]3C,TYZLKUKCYNNUNE-UHFFFAOYSA-N
|
| 13041 |
+
0C1C753A2731C88A_2B935609A2DEBE09_6031_DP,NC[C@@H]1CNC[C@H]1C(=O)OCC2(CC)COC(CI)C2,CKCCIBKRQXEBCF-KTEZZQQRSA-N
|
| 13042 |
+
0C40F0E9836610E2_43348E39891CF12D_6035_UN,O(C2C1CCOC1C23CCC3)C4=C(C=CC(=C4F)C)C(C)(C)C,SOFNRPLGZUUJOG-UHFFFAOYSA-N
|
| 13043 |
+
0CA44F039EF0EC18_CF6A7F6DE862EC5E_6028_UN,CC(N[S](C1=NC(=N[N]1C2=CC=CC=C2)C3CC3)(=O)=O)CC4=CC=C[N]4C,OSMYHCJEFZTPBY-UHFFFAOYSA-N
|
| 13044 |
+
10AED67900ECF3A7_BA8734A0F3952C59_6028_UN,CC(N[S](C1=NN=C(OC)S1)(=O)=O)CC2=CC=C[N]2C,AMBKLROWTABLOT-UHFFFAOYSA-N
|
| 13045 |
+
11842533D2ABFAAB_24FE7D04A984357D_6028_UN,CC(N[S](C1=NN=C[N]1C2=CC(=C(C)C=C2)Cl)(=O)=O)CC3=CC=C[N]3C,BPIUMOUBCXIOEL-UHFFFAOYSA-N
|
| 13046 |
+
138455BC8990E2E1_3F86E28725E021A0_6039_UN,O(C2C1CCOC1C23CCC3)CC4=CC=C([Si](C)(C)C)C=C4,MSKHEXJAWGCTJI-UHFFFAOYSA-N
|
| 13047 |
+
1453851C0509D368_215F8452C218417C_6028_UN,CC(N[S](C2=NN=C(N1CCOCC1)[N]2C3CC3)(=O)=O)CC4=CC=C[N]4C,HFANBHLEIXKJLV-UHFFFAOYSA-N
|
| 13048 |
+
1496245AC0A89725_C88B21D7B8F6BE64_6028_UN,CC(N[S](C1=NC(=NO1)C2=C(C=CC=C2)Cl)(=O)=O)CC3=CC=C[N]3C,PMOTWPLHSJRETG-UHFFFAOYSA-N
|
| 13049 |
+
14F8560E79CA1D67_8E5E67DBF32FA8DC_6034_DP,FC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3CNCC34CNC4,BXCVZPMSIPOZJK-UHFFFAOYSA-N
|
| 13050 |
+
167EE4F59E93282E_A965E710A599CFE3_6028_UN,CC(N[S](C2=NN=C(C1=C(C)C=CC=C1)[N]2C)(=O)=O)CC3=CC=C[N]3C,HQWRNFUJKNWENU-UHFFFAOYSA-N
|
| 13051 |
+
16F31E635A35CF78_D8ADDBC205D6F12D_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C3=C2OCCCOC2=CC=C3)S,IWFXIRUNLNSKRE-UHFFFAOYSA-N
|
| 13052 |
+
1793AB93A02DFA7B_3DBC2A04F2932716_6029_UN,N(CC1=CC2=C(C=C1)OCC2)[S](C3=C[NH]C4=C3C=CC=C4)(=O)=O,BKVUNEPSKOLOSP-UHFFFAOYSA-N
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| 13053 |
+
1B0E9476EED3EB57_FEA77D4A4D4543F4_6028_UN,CC(N[S](C1=CC=CC(=C1)[N](=O)=O)(=O)=O)CC2=CC=C[N]2C,ONLTWPOIKYUVJP-UHFFFAOYSA-N
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| 13054 |
+
1BD019E9CA78F4EE_7582B16407EAAC09_6028_UN,CC(N[S](C2=NC1=C(C(=CC(=C1)F)Cl)O2)(=O)=O)CC3=CC=C[N]3C,KCIYTTHAHWNIFS-UHFFFAOYSA-N
|
| 13055 |
+
1C53A824DCCA839E_C7B78F22588C0696_6028_UN,CC(N[S](C1=NN=C2CCCCC[N]12)(=O)=O)CC3=CC=C[N]3C,URHZNBTZYJYVGL-UHFFFAOYSA-N
|
| 13056 |
+
1D0E0792D3466CB2_52F249670890D5EE_6028_UN,CC(N[S](C2=NC1=C(C=CC=C1)[N]2CCC#N)(=O)=O)CC3=CC=C[N]3C,LJTWVYWNKLCFPJ-UHFFFAOYSA-N
|
| 13057 |
+
1E26C6DFB73486B2_0505DE975930C5DE_7022_UN,C1(=CC2=C(C=C1)OCC2)NC4=C3CCN(C)C3=CC=C4,PBTZSJGRQMADJT-UHFFFAOYSA-N
|
| 13058 |
+
1E26C6DFB73486B2_653F96F4622C1FED_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=C3CCN(C)C3=CC=C4,PBTZSJGRQMADJT-UHFFFAOYSA-N
|
| 13059 |
+
1E26C6DFB73486B2_DE3A962366162E90_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=C3CCN(C)C3=CC=C4,PBTZSJGRQMADJT-UHFFFAOYSA-N
|
| 13060 |
+
1E26C6DFB73486B2_F621910785F0DBE9_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=C3CCN(C)C3=CC=C4,PBTZSJGRQMADJT-UHFFFAOYSA-N
|
| 13061 |
+
1FD1A34755FE6EF5_839C8A0F8C31202E_6028_UN,CC(N[S](C1=NC=C([N]1CC(C)C)C2=CC=CC=C2)(=O)=O)CC3=CC=C[N]3C,AOOKPLUQOXBLGM-UHFFFAOYSA-N
|
| 13062 |
+
1FFD5B55616A43E1_CF9B749E7459EF54_6028_UN,CC(N[S](C1=NN=C([N]1CC)C2=CC=C(C=C2)C)(=O)=O)CC3=CC=C[N]3C,VVRXQKKXUQYPDQ-UHFFFAOYSA-N
|
| 13063 |
+
207DBA04B57F0F04_762E39537F09955B_6028_UN,CC(N[S](C1=NC(=C(C(C)=O)C=C1C#N)C)(=O)=O)CC2=CC=C[N]2C,LTKNCIAVLYTXSB-UHFFFAOYSA-N
|
| 13064 |
+
220DB8DDDC142188_CC88D606DEFA88FD_6028_UN,CC(N[S](C1=NC=C[N]2C=CN=C12)(=O)=O)CC3=CC=C[N]3C,NUMMNGTZPVQPBF-UHFFFAOYSA-N
|
| 13065 |
+
2294A435FCB57BC6_A167CBFD534A5497_6041_DP,NOC(=O)C1=CC=C(C=C1)NC3CNCC2=CC=N[N]2C3,JGSHNWPAPMWWFH-UHFFFAOYSA-N
|
| 13066 |
+
234EE239B2A932F1_F5709F0F2796E7EB_6028_UN,CC(N[S](C1=CC=CC(=C1C#N)F)(=O)=O)CC2=CC=C[N]2C,DXFHHRHQNRXFNO-UHFFFAOYSA-N
|
| 13067 |
+
24DEBBEDDA602D08_82AAC6B124E7C271_6028_UN,CC(N[S](C1=CC=C(C=C1)Br)(=O)=O)CC2=CC=C[N]2C,NIQSWGMLUKXQSA-UHFFFAOYSA-N
|
| 13068 |
+
256451EF6792C4FD_AB5A0C75CFCFCBAE_7022_UN,CN1CCC2=C1C=CC(=C2)NC3=C4C(=CC(=C3)Cl)CCO4,ZMRNORWBGVUHGN-UHFFFAOYSA-N
|
| 13069 |
+
25DF2F3F4CE9D4C8_BA9749E0490E9779_6029_UN,CC2CC1=C(C=CC=C1)C2N[S](C4=CC3=C([NH]C=C3[N](=O)=O)C=C4)(=O)=O,ZIILPNJNSVIICC-UHFFFAOYSA-N
|
| 13070 |
+
25E3B1A64C5B4224_D61538A10559BF31_6043_UN,ClC2=C(C=C1NC(NC1=C2)=O)N[S](=O)(=O)C3=C(C=CC=C3)F,FAACQNKSLPFOPZ-UHFFFAOYSA-N
|
| 13071 |
+
270311FEEABB4F0B_6EAAEE04C1FF3CBD_6028_UN,CC(N[S](C1=NC=C(C(C)C)[N]1C2=CC(=CC=C2)Br)(=O)=O)CC3=CC=C[N]3C,JKPFZQZFLXBKKY-UHFFFAOYSA-N
|
| 13072 |
+
286F93F0020D7BF0_74B4506880567EB3_6028_UN,CC(N[S](C1=N[NH]C(=N1)C2=CC=C(C)C=C2)(=O)=O)CC3=CC=C[N]3C,PFJPXPBNJVZFLY-UHFFFAOYSA-N
|
| 13073 |
+
29B5C77F07FB01FB_D22E37656CB1F3B1_6041_UN,OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)NCC3COC(C)(C3)C)F,VLWNWFUDRTWHPU-UHFFFAOYSA-N
|
| 13074 |
+
2B7236987D865740_7A70DDAA24332BAD_6038_UN,CCN1CCC2=C1C=C(C=C2)NC(=O)C3=CC=C([NH]3)[N](=O)=O,YNCRPGGMYGAHRN-UHFFFAOYSA-N
|
| 13075 |
+
2C75F3214C74CD29_9A71A788BA4DA0A5_6028_UN,CC(N[S](C1=NC(=C([N]1CC(C)C)C)C)(=O)=O)CC2=CC=C[N]2C,IBRCJEQKDFUDJP-UHFFFAOYSA-N
|
| 13076 |
+
2E75B520A2D7AE9A_65FC9F8C98EDB4C6_6028_UN,CC(N[S](C1=NN=C(O1)C2=CC=C(C=C2)Cl)(=O)=O)CC3=CC=C[N]3C,GERXUAMGCRAGHG-UHFFFAOYSA-N
|
| 13077 |
+
311F1934B8A2B8A5_E4B43B1C06E179F1_6039_UN,O(C2(CC1=CC=C(C=C1)F)CC2)CC(C)O[Si](C)(C)C,WONUTNDSUFLQCV-UHFFFAOYSA-N
|
| 13078 |
+
313B30AE05B117C7_BD5CC15955818CF9_6028_UN,CC(N[S](C2=NC1=CC(=CC(=C1O2)C)Cl)(=O)=O)CC3=CC=C[N]3C,MTUPUWRLSLEHJC-UHFFFAOYSA-N
|
| 13079 |
+
3187860021510F1B_26BC2053F87E8C0F_6041_UN,C1(=CSC(=C1)C2OCCO2)NCC3C(C)N(CCN3C)C,JWOYDAGCLXCDFY-UHFFFAOYSA-N
|
| 13080 |
+
3187860021510F1B_791BBB14DB55B063_6041_UN,C1(=CSC(=C1)C2OCCO2)NCC3C(C)N(CCN3C)C,JWOYDAGCLXCDFY-UHFFFAOYSA-N
|
| 13081 |
+
31E3A9E0E9FE7C56_A6D7100C0463F074_6028_UN,CC(N[S](C1=C(F)C=C(C=C1)C#N)(=O)=O)CC2=CC=C[N]2C,UEYWRBBFDCSREE-UHFFFAOYSA-N
|
| 13082 |
+
32542038D5F4DF9B_AA649E26B5495E53_7019_DP,N1[C@@H]4CC[C@H]1[C@H](C=CC2=C([N](C)N=C2C3=CC=CC=C3)Cl)C4,PWUBLDDQIHXNTQ-FMKPAKJESA-N
|
| 13083 |
+
3498F4973C7DBEFA_986299BB68B48DB0_6043_UN,ClC2=C(C=C1NC(NC1=C2)=O)N[S](=O)(=O)CC3=C(C=CC=C3)Cl,YDBQDMMCPFTJLA-UHFFFAOYSA-N
|
| 13084 |
+
36CBA02B90ACDDE9_2F08877308A586E6_6041_DP,CC(=O)C1=C(C=NC(=C1)NCC2CNC(CO2)(C)C)F,AILLZKOEJLZTCZ-UHFFFAOYSA-N
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| 13085 |
+
389A1846CAF60D2F_881173E8B46E6CEF_6028_UN,CC(N[S](C2=NN=C(CN1CCCC1=O)O2)(=O)=O)CC3=CC=C[N]3C,VJAPWNCAQLQAAO-UHFFFAOYSA-N
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