Added 124 molecules from epoch 15627 for P23975
Browse files- P23975_molecules.csv +124 -0
P23975_molecules.csv
CHANGED
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@@ -22029,3 +22029,127 @@ F918A5A483CFFB67_CF6DEBBA93C0F57C_6041_UN,CC1=C(C=C([N](=C1)=O)NC2=CC3=C(C=C2)OC
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| 22029 |
FA2136570C4DE663_F5F388A1692D6FCB_7019_UN,O=[N](=O)C1=CC(=C(C(=C1)F)C=CC3=N[N]2CCOCC2=C3)F,MCCLBDLUSQKBJS-UHFFFAOYSA-N
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| 22030 |
FAE0B11C7311BAD5_5713118F7BE80C2F_6041_UN,C2(=C1C=CC=CC1=C(N=N2)C3=CC=CS3)NCCCO[Si](C)(C)C,AUFPGXJSHRTLLU-UHFFFAOYSA-N
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| 22031 |
FC6D9C2D53C14BBA_0430680F70E04FB8_6038_DP,CC1=C(C=CC(=C1)OC(C3=CC2=C(C=C[NH]2)C=C3)=O)[S](=O)(=O)N,FRLSIFYIRQHXIU-UHFFFAOYSA-N
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| 22029 |
FA2136570C4DE663_F5F388A1692D6FCB_7019_UN,O=[N](=O)C1=CC(=C(C(=C1)F)C=CC3=N[N]2CCOCC2=C3)F,MCCLBDLUSQKBJS-UHFFFAOYSA-N
|
| 22030 |
FAE0B11C7311BAD5_5713118F7BE80C2F_6041_UN,C2(=C1C=CC=CC1=C(N=N2)C3=CC=CS3)NCCCO[Si](C)(C)C,AUFPGXJSHRTLLU-UHFFFAOYSA-N
|
| 22031 |
FC6D9C2D53C14BBA_0430680F70E04FB8_6038_DP,CC1=C(C=CC(=C1)OC(C3=CC2=C(C=C[NH]2)C=C3)=O)[S](=O)(=O)N,FRLSIFYIRQHXIU-UHFFFAOYSA-N
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| 22032 |
+
018473B23E565E24_3F0177F9C83C3920_6043_UN,CC1=C(C=C(C(=N1)O)[N](=O)=O)N[S](=O)(=O)C2=C(C=CC=C2)N=[N]#N,MZVSQLZNIVODLA-UHFFFAOYSA-N
|
| 22033 |
+
048AD69A1F30FCAC_711521AB744DA9A9_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)NCC3N(C)CC4(CC3)CC4,RXPRQEYPZJSMPT-UHFFFAOYSA-N
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| 22034 |
+
0B94775902FBA088_58206044CEB6F152_6043_UN,CC1=C(C=C(C(=N1)O)[N](=O)=O)N[S](=O)(=O)C2=CC=C(C=C2)N=C=S,QDOMBIZERSGQIT-UHFFFAOYSA-N
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| 22035 |
+
0C387BBECB26ABBF_B3B82BE87D0196AF_6035_UN,CN(C)[C@@H]1COC[C@H]1OC2=CC3=C(C=C2)N=CC(=C3)Br,HXSVCKSSVURVJZ-HUUCEWRRSA-N
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| 22036 |
+
0DE465EE4315E0D5_CDE959857D8A3F0D_7009_UN,CC#CC[S](=O)(=O)NC(CC1=CC=C(OCC)C=C1)=O,IZEFOROZRQZZMT-UHFFFAOYSA-N
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| 22037 |
+
0E4CF5402B5AF584_5E3A767AC402A2EE_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(C=CC=C2)OC(F)F)C,ARYOMHOSPWOPPZ-UHFFFAOYSA-N
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| 22038 |
+
1CDC1AB1339FE666_1E71DD203D74791B_7022_UN,C1(=C(C=C(C(=C1)Cl)Cl)Cl)OCC3(COC)CC2OC2C3,NWSXFVWSZBUGIW-UHFFFAOYSA-N
|
| 22039 |
+
1EE06595D0598586_48F89735621152D1_6041_DP,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC=CC4=C3CNC4,WCEMQPQNCNDRMY-UHFFFAOYSA-N
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| 22040 |
+
1F8207405F0958C6_D9F30D24CF8ED076_7009_UN,CC#CC[S](=O)(=O)NC(CC1=CC=CC(=C1)OCC)=O,RQKXCFMWQIKAAS-UHFFFAOYSA-N
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| 22041 |
+
208BACF9A9A3EA61_87502529B7AAED03_6041_UN,FC2=C(C=C1OC=CC1=C2)NC[C@@H]3CCN(C)[C@H]3C4=CN=CC=C4,MRRFSHLSQMIIIX-KXBFYZLASA-N
|
| 22042 |
+
237AFA9986C23A57_40E91AF2B3EFBA4D_7013_UN,N3=C(C1CCCC2=C1C=CC=C2)[N](C4=C3C=C(C=C4)Cl)C5CC5,RAJDNGGYBKPZFT-UHFFFAOYSA-N
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| 22043 |
+
2396F2FA3CEA7586_7184CBA1D4DBA64A_6041_UN,CC1=C(C=C([N](=C1)=O)NC2=C(CC)C(=CC=C2)C)[N](=O)=O,KWCIODFTVFRMFD-UHFFFAOYSA-N
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| 22044 |
+
2669042B77AEAF07_D85866CE8A9AB33F_7022_UN,C2(=C(C=C1C=CC=CC1=C2)Br)NC34C(OCC3)CCCC4,VYKUEICSAHZTQH-UHFFFAOYSA-N
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| 22045 |
+
27C028321B0E3B4A_FEC697E60652683D_7022_UN,C1(=CC(=CC=C1)[N](=O)=O)NC2=C(C=CC=C2)N4CCC3=C(C=CS3)C4,IDDBVZPUJKJDCJ-UHFFFAOYSA-N
|
| 22046 |
+
27DFC7627338818C_4CA850BD9AB8A7A0_6026_UN,COC(=O)C1=C(C=CC(=C1)C)[S](=O)(=O)N=C(OCC)C2=CC=CS2,RZHCJYQCZZBAHV-UHFFFAOYSA-N
|
| 22047 |
+
295C375190F1475D_8E99551CBE0A0C4B_6041_DP,C[Si](C)(C)CC1=C(C=CC=C1)NCC2CCNC3(C2)CCC3,AHPTUPRBTQPBEL-UHFFFAOYSA-N
|
| 22048 |
+
2B50A99722D6CE44_67B0E620C9ACC157_6043_UN,CC1=C(C=CC(=C1)N[S](=O)(=O)C2=CC(=C(C=C2)O)[N](=O)=O)N=[N]#N,GZHAMGSUNPNXSM-UHFFFAOYSA-N
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| 22049 |
+
2BD50AEE78086624_CE4B56928DC1010B_6038_UN,N(C1=CC2=C(C=C1)C(=O)NC=N2)C(C4=CC3=C(COB3O)C=C4)=O,KPIJYHFOKXOPIS-UHFFFAOYSA-N
|
| 22050 |
+
2CE5ED7045C157A1_09BC653312081752_6041_UN,CC1=C(C=C([N](=C1)=O)NC(C)C2=CC(=NC=C2)F)[N](=O)=O,OHERDXMJKIIDQS-UHFFFAOYSA-N
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| 22051 |
+
2FBF6C1D6FE7C843_D3DFA62FE9D5FD03_6029_UN,N(CCCC1=CC=C(C=C1)O)[S](C2=C(C)C=CC=C2N=[N]#N)(=O)=O,VHEDKSBQRDSNMS-UHFFFAOYSA-N
|
| 22052 |
+
303FEB4B8F9C8BC4_15616E71F17626DD_6041_UN,C[N]1C=NC(=C1OC2=CC=C(C=C2)NC(C3=CC=C(OC)C=C3)C)[N](=O)=O,NFPIBTYJKXMNSV-UHFFFAOYSA-N
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| 22053 |
+
3AB3A32F3FB4A448_111F6835F9831731_6041_UN,CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC2CN(C2)C(=O)N,QZEVQECZYPMFKG-UHFFFAOYSA-N
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| 22054 |
+
3B6C25BCB3E4CF92_735570246073B610_6043_UN,OC(=O)C1=N[N](C=C1N[S](=O)(=O)C2(CC2)C=C)C3=CC=C(C=C3)F,VWESQRDAHDYEDF-UHFFFAOYSA-N
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| 22055 |
+
3E63CDD6A485C7D3_BA4D2BC176184111_7022_UN,C2(=C1OCCC1=CC=C2)NC3=C(C[S](C)=O)C=CC=C3,WYXXFBNNGRCGBK-UHFFFAOYSA-N
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| 22056 |
+
3FBE854674CC014F_4D2A4693419240BE_6043_UN,CC1=CC(=C(C(=C1)N[S](=O)(=O)C2(CCl)CC2)O)[N](=O)=O,LOSSDLAJIPXSOJ-UHFFFAOYSA-N
|
| 22057 |
+
41AF75F5A90D4326_1A1CE2F288715771_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=CC=C(C=C2)OC=C)Br,KEFZVFRPMIHPFJ-UHFFFAOYSA-N
|
| 22058 |
+
42C637E18459BFA6_8B702F29827414F1_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)NC3CNCC34CCOCC4,GRXGXSRAFICZHL-UHFFFAOYSA-N
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| 22059 |
+
4460FB1F26AAB8BB_C2EA6D3D4DB1D5D3_6038_UN,CC1=CC(=C(C=C1)N[S](=O)(=O)C)NC(C(C)N2C(=O)OC3=C2C=CC=C3)=O,DHIKFUFQMHEULZ-UHFFFAOYSA-N
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| 22060 |
+
46C9181288E6AF78_29A4CA9F0800AFEE_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3C(CC)CN(C3)C,ITRLVNBEDCUKME-UHFFFAOYSA-N
|
| 22061 |
+
4700F3DCEA17326B_41D09B620107BEF5_7009_UN,CC#CC[S](=O)(=O)NC(C(C1=CC=C(CC)C=C1)C)=O,KSIZNNIWOKGDJG-UHFFFAOYSA-N
|
| 22062 |
+
4741980FE9CB86D1_59C74168860E3E5D_6026_UN,[S](=O)(=O)(C1=C(C=CS1)I)N(C2=CC(=C(C=C2)Br)C)[S](=O)(=O)C,ZZQKJMXYKVBDDS-UHFFFAOYSA-N
|
| 22063 |
+
4DC2414DCE8EE0E6_8CFFFC935EAD9951_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NC4=CC(=C(C=C4)C5=NN=CO5)F)N6,IQHCCLBFQSDVHG-UHFFFAOYSA-N
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| 22064 |
+
4FE9D1B4918F1D52_6A47064EA2730614_6031_DP,N1CC2(C1)OC[C@@]3(CNC[C@H]23)C(=O)OCC(CN)C(F)(F)F,CWMDOMJSZHSSSC-CAWIPBJDSA-N
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| 22065 |
+
4FE9D1B4918F1D52_EA142728CB0DA63F_6031_DP,N1CC2(C1)OC[C@@]3(CNC[C@H]23)C(=O)OCC(CN)C(F)(F)F,CWMDOMJSZHSSSC-CAWIPBJDSA-N
|
| 22066 |
+
5BCABA63765E299A_974CE394544138B2_6038_UN,N(CC1=CC=C(O1)C3=NC2=C(C=CC=C2)S3)C(C4(N(C)C)CC4)=O,UEEUVLNYJSJEBO-UHFFFAOYSA-N
|
| 22067 |
+
5E89AAA2B8AD680D_8C61F738137E86F8_6043_UN,CC1=C(C=CC(=C1)N=[N]#N)N[S](=O)(=O)CCC2=CC=CS2,KHQZNMHDUFNLES-UHFFFAOYSA-N
|
| 22068 |
+
608893EF129284CF_EB5DB168397F271E_6043_UN,CC1=C(C=CC(=C1)N=[N]#N)N[S](=O)(=O)CCC2=CC=C(C=C2)[N](=O)=O,ITVODTMNGSFXSV-UHFFFAOYSA-N
|
| 22069 |
+
6097DB93C8DDFE55_88B82EF86111D749_7022_UN,C2(=C(C=C1C=CC=CC1=C2)Cl)NC34C(OCC3)CCCC4,CRJDOQMZJZZYTJ-UHFFFAOYSA-N
|
| 22070 |
+
647576258E6DE4F2_B1CD833E5B9F20A6_6035_UN,CN(C)[C@@H]1CNC[C@H]1OC2=C(C=C(C=C2)C3=CN=CC=C3)Cl,FIURNCWAGSWKFM-NVXWUHKLSA-N
|
| 22071 |
+
64F9E4D88099383A_B88632A04920244E_6026_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N(C)CC2=CSC(=C2)Br,QOKPQMALDPFCFH-UHFFFAOYSA-N
|
| 22072 |
+
67FCC290947ABA10_1C4A962985D1BD86_6043_UN,O=[N](=O)C1=C(C=CC(=C1)CBr)N[S](=O)(=O)C2(CCC2)C#C,JPZCKRKNODAXCQ-UHFFFAOYSA-N
|
| 22073 |
+
6B7E32C672521CB2_350EC9F661D646F9_6038_UN,N(CC1=CC=C(C#N)S1)C(C2(C[S](C)(=O)=O)COC2)=O,FJTUXKFMASOOQB-UHFFFAOYSA-N
|
| 22074 |
+
6F773C4694C55D0D_B31F2604CCFFB6D7_7022_UN,C2(=C1OCCCOC1=CC=C2)NC3=N[N](C=C3Br)C4CCCCC4,JBECRIFXEOELMO-UHFFFAOYSA-N
|
| 22075 |
+
70DC1291023DFA53_16FBFCAB2934BEE1_6003_DP,N2CCC(OC1=CC=C(C=C1)[S](=O)(=O)CC#N)CC2C3=CC=CC=C3,XIABFRVYQZAVSV-UHFFFAOYSA-N
|
| 22076 |
+
71247F78BA488487_B12EB6546DA2760B_6026_UN,CC1=C(C(=C(C(=C1)C)[S](=O)(=O)NCC2=CC=CS2)C)F,VNQQOBCVTYNTON-UHFFFAOYSA-N
|
| 22077 |
+
723A4B22E15D9242_314A635017FEB98A_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2(CCC2)C3=N[NH]C(=N3)C4=CC=CS4,WBYKOPRZAWBLAM-UHFFFAOYSA-N
|
| 22078 |
+
73FDCBEC5CB735B2_1E45D1507F5A1C18_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC4=CC3=C(C(C)COB3O)C=C4,HHZKTCABCSGIHQ-UHFFFAOYSA-N
|
| 22079 |
+
73FDCBEC5CB735B2_35B8D32D25ED8E4F_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC4=CC3=C(C(C)COB3O)C=C4,HHZKTCABCSGIHQ-UHFFFAOYSA-N
|
| 22080 |
+
7404D641CEB9C350_0E50BFC0C4A79773_7022_UN,C2(=C1CCCCC1=CC=C2)NC3=N[N](C=C3Br)C4CCCCC4,LCCLEVADZQXFNI-UHFFFAOYSA-N
|
| 22081 |
+
76D836453DB9C6C3_432F62DB3B164335_7009_UN,N([S](=O)(=O)C1(CCC1)C#C)C(=O)C(=O)CC2=CC=C(C=C2)Br,QBNQRFZJBGFHFI-UHFFFAOYSA-N
|
| 22082 |
+
79F8F3DC0924E635_48FD78C7D7A944E0_7022_UN,C1(=CC(=CC=C1)[N](=O)=O)NC2=CC=C(C=C2)N4CCC3=C(C=CS3)C4,YOUPIBQKQSXRLD-UHFFFAOYSA-N
|
| 22083 |
+
7C25E751C59AC2DA_709CDE5EB528E846_6039_DP,O(C(CN1C=CSC1=N)C2=CC=CS2)C[C@@H]3C[C@](OC)(CN3)C(F)(F)F,RWJPYHUMDAVONX-BQELKBSMSA-N
|
| 22084 |
+
7E159D63F379C888_A8F2C64461F612B8_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NCC3OCC2(CNC2)C3,LGQKPXPZMCZICW-UHFFFAOYSA-N
|
| 22085 |
+
7F5414197ADED4E1_92C4946084CEAB62_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NCC2CCCN(C2)C3=NC=CC=N3,XNBGLVWRNBKIDR-UHFFFAOYSA-N
|
| 22086 |
+
8462CA6D1E81F378_F882B4EE15034C26_6026_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N(CC)C2=C(N=CC=C2)C)[N](=O)=O,OFDXUAOOPMLBOV-UHFFFAOYSA-N
|
| 22087 |
+
881119163981BA66_C367E881E2B3481C_7013_UN,N3=C(C1CCCC2=C1C=CC=C2)[N](C4=C3C=C(C=C4)Br)C5CC5,HEMKNKVFRJQAQL-UHFFFAOYSA-N
|
| 22088 |
+
890AE9714E0F60E5_90E765D34EA1B3D6_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)F)C,UUPORDBTPJKINE-UHFFFAOYSA-N
|
| 22089 |
+
8CEE3D8AC7B2CF2C_20E97F6F97F3CC5C_7022_UN,C1(=C(C=C(C=C1F)F)Cl)OCC3(COC)CC2OC2C3,TYLVILDIUWINGN-UHFFFAOYSA-N
|
| 22090 |
+
8F259414E67BD78B_5DD68E0F3C7A4107_7019_UN,CN1C(CCCC1)C=CC3=CC(=C2OCOC2=C3)C4=CN=CC(=C4)F,ARUCFANZCHKALM-UHFFFAOYSA-N
|
| 22091 |
+
92933D6AD7AAB666_CA79C6D1F4680B67_6029_DP,N(CCCCN=[N]#N)[S](C1=CC2=C([NH]1)C=CC=C2)(=O)=O,ZCHLUKQIQVMNGD-UHFFFAOYSA-N
|
| 22092 |
+
991D3208919BB9F8_8F9202281D8C8606_6041_UN,CN4CCC1=C(C=CC=C1NC2C3=C(OCCC2)C=CC(=C3)F)C4,AGRVQVDCDQYKAW-UHFFFAOYSA-N
|
| 22093 |
+
99626A91E719CE79_D8F28BC153DA8B19_6038_DP,CC(OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC2=CC=CS2)CCO,HOYISUKZIWIYOE-UHFFFAOYSA-N
|
| 22094 |
+
9D36A195845E52AE_471CE5A281CC743D_6041_DP,N1CCCCC1C2=NC(=C[NH]2)NC3=C4C(=CC=C3)C=C(C=C4)F,PYZJCCDHKNYJTI-UHFFFAOYSA-N
|
| 22095 |
+
9F67C6BCEBDF5160_E5FFCE5681D038A8_6028_UN,CC1(C2=C(OCC1)C=CC=C2)N[S](C3=CC4=C(C=C3)OCC4)(=O)=O,AITYLPIQSDULNJ-UHFFFAOYSA-N
|
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