Added 105 molecules from epoch 15772 for P23977
Browse files- P23977_molecules.csv +105 -0
P23977_molecules.csv
CHANGED
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@@ -30501,3 +30501,108 @@ FBB938DF16FA1B9B_13048E81AA1801C9_7019_UN,ClC1=CC(=CC=C1)CCCC=CC2CCN(CC(C)(C)C)C
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| 30501 |
FCB27BD2AFA4CF18_CA2CE1EB2607CE63_6041_UN,FC2=C1C=CC=CC1=C(N=C2)NCC4(N3CCN(C)CC3)CCCCCC4,XUMFXWJLRYPFGC-UHFFFAOYSA-N
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| 30502 |
FDDA68FAF7D0774B_A72F51F9EFD47C23_6041_UN,FC2=C1C=CN=CC1=CC=C2N[C@H]3CC[C@@H](N(C)C)C3,SIMJNUMZDRSOCW-QWHCGFSZSA-N
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| 30503 |
FE3B0EF4E8A25FDE_45526EFAD05E635F_6041_UN,CN(C)CC1=CN=C(C=C1)NCC2(CCC2)C3=C(C=CC=N3)F,SBPRYZLIARYCCX-UHFFFAOYSA-N
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| 30501 |
FCB27BD2AFA4CF18_CA2CE1EB2607CE63_6041_UN,FC2=C1C=CC=CC1=C(N=C2)NCC4(N3CCN(C)CC3)CCCCCC4,XUMFXWJLRYPFGC-UHFFFAOYSA-N
|
| 30502 |
FDDA68FAF7D0774B_A72F51F9EFD47C23_6041_UN,FC2=C1C=CN=CC1=CC=C2N[C@H]3CC[C@@H](N(C)C)C3,SIMJNUMZDRSOCW-QWHCGFSZSA-N
|
| 30503 |
FE3B0EF4E8A25FDE_45526EFAD05E635F_6041_UN,CN(C)CC1=CN=C(C=C1)NCC2(CCC2)C3=C(C=CC=N3)F,SBPRYZLIARYCCX-UHFFFAOYSA-N
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| 30504 |
+
04BC657F4777B78B_161FACB6C4AC6440_7019_UN,CC(C)N1CCN(CC1)CCC=CC(OC)C2CCOCC2,LRCCBOCEXMNKNQ-UHFFFAOYSA-N
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| 30505 |
+
04D0F1EACA7A7875_AAC57FD6EBD2193C_7022_UN,COC1=C(C(=C(C=C1)Br)F)NCC2C3CC(C2)C4CC34,VGFFRLJOZPNJJN-UHFFFAOYSA-N
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| 30506 |
+
0870335D2FA63E35_B303E0B45CC6AB75_6041_UN,CN(C)CC1=C(C=CC(=C1)NCC2CCCC3=C2N=C(C)S3)F,LCVLESKEEWPQAW-UHFFFAOYSA-N
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| 30507 |
+
0CD5ED9E2903E8B6_ABDC6F451F2E0436_6041_DP,COC1(COC1)C2=CC=C(C=C2)NCC34CC(CNC3)(F)C4,XTFQSCVOKISNJE-UHFFFAOYSA-N
|
| 30508 |
+
0FF0805E3F034CBD_0124D0EF5B50145C_6039_DP,CO[C@H]2C[C@@H](COCCC(C(F)F)N1CCOCC1)NC2,BASODJUGRWXFGI-VYAYZGMFSA-N
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| 30509 |
+
12FB7CCC0F23F506_F936C4756E076998_6034_UN,CO[C@@H]1C[C@H](NC1)C2=NC=CN2CC3(C)COCCN3,OSABVHMNAGLLLX-RJTITELWSA-N
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| 30510 |
+
1473F527D4289062_E356A6364BA48DD4_6034_UN,CCNC4CCC1=C(C3=C(N1CC2CCCN2C)C=CC(=C3)Cl)C4,WECAUFYVIDKAJI-UHFFFAOYSA-N
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| 30511 |
+
198F6DC174E43DD1_9EE2F38A7720EEEF_6039_UN,O(C1CCC3(CC1N2CCCC2)OCCO3)CCC4N(C)CCCC4,NCHUPNPYJYXGHA-UHFFFAOYSA-N
|
| 30512 |
+
1A8A5BEAA4E9301E_A674195B96EC6539_6041_UN,CN4CCCN(CC1=C(C=C(C=C1)NCC3(C)CCOC2(CCC2)C3)F)CC4,OYQNDWLCOYWQLJ-UHFFFAOYSA-N
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| 30513 |
+
2410E8AAF47BE5EF_5550F5E13432E5AF_6034_DP,BrC1=C2C(=CC=C1)C4=C([N]2CCC3CNC(C3)(C)C)CCNC4,WZFSFZXDANFWRK-UHFFFAOYSA-N
|
| 30514 |
+
2459654EAE3FA62E_983726FC3799CA1D_6034_DP,CCNC4CCC1=C(C3=C([N]1CC(C)N2CCNCC2)C=CC(=C3)Cl)C4,GTQFZXOHXWSGLP-UHFFFAOYSA-N
|
| 30515 |
+
2459654EAE3FA62E_FABAC610476D6365_6034_UN,CCNC4CCC1=C(C3=C(N1CC(C)N2CCNCC2)C=CC(=C3)Cl)C4,GTQFZXOHXWSGLP-UHFFFAOYSA-N
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| 30516 |
+
25B71DA386842E4C_834453AD43D61ECA_6041_UN,CN3CCCN(CC1=C(C=C(C=C1)NC(CC)C2CCCO2)F)CC3,HBJTZDGQKVELNJ-UHFFFAOYSA-N
|
| 30517 |
+
25F19D718B024A20_39E9E6A005D92D1B_6041_UN,CN4CCC1=C(C(=NC=N1)NCC2CC3CCC2N(C)C3)C4,XKBNMLLXPLLIPM-UHFFFAOYSA-N
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| 30518 |
+
27FCC23F2BFF3CFE_0D51626C501EA681_6039_UN,O([C@@H]1COC[C@H]1N2CCOCC2)CC(OC)C3CCCOC3,WHOUXRVUPDOTTE-GYTBAZASSA-N
|
| 30519 |
+
2ADD2970F4BB55BF_A61798060C569C0F_6039_UN,CCCC2(OCC(OC)C1CCCOC1)CCN(CCC#C)C2,DJSBCZUYWGIGHU-UHFFFAOYSA-N
|
| 30520 |
+
2B0752A3936201F1_C2018936257A749F_6041_UN,COCC[N]1C=CC2=C1C=C(C=C2)NCC3(CCCCC3)C4=CC5=C(C=C4)OCO5,PFOKATMUOFKIAC-UHFFFAOYSA-N
|
| 30521 |
+
2C4E5014EEBD5E89_00CF4D6B3F74E412_7022_UN,CN1CCC2=C1C=CC(=C2)NC3=NN=C(O3)C5=CC4=C(CCCC4)S5,MUNPOMDCJABZGB-UHFFFAOYSA-N
|
| 30522 |
+
2C7B6783050E7E90_219502140222FEDA_6041_UN,C3(=C1C=CC=C2CCC(=C12)C=C3)NCC4C[Si](C)(CC4)C,JGEDUVGGOQGZAR-UHFFFAOYSA-N
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| 30523 |
+
2E495E41577B26A8_8E547616395A17FC_6041_DP,CN(C1[C@@H]2CNC[C@H]12)C3=NC=C(N=C3)NC5(CC4=C(C=CC=C4F)F)CCCC5,DKMHYUXIROANLF-GWTOYCKXSA-N
|
| 30524 |
+
30FABBEE49E3DE68_EC2AA15E80442DE8_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NCC4=NC3=C(CCCCC3)S4)C5,DNBOLIDTDACRAX-UHFFFAOYSA-N
|
| 30525 |
+
364F0C76A2ECBA8E_196EC249769CAC7B_6041_UN,FC1=C(C=CC2=C1CCC2)NCC(OC)C3CCCO3,SHTALLSIVKIOHG-UHFFFAOYSA-N
|
| 30526 |
+
394DB9489EDE6225_AC255DD60D36BE25_6039_UN,CC2(COCC(OC)C1CCOC1)CCCN(CCC#C)C2,COUFNVYVVPDKNU-UHFFFAOYSA-N
|
| 30527 |
+
397E216BEE90ACF1_88734453508B5E17_6041_UN,CN3CCCN(CC1=C(C=C(C=C1)NCC2COCCN2C)F)CC3,CBPUXOWQFLCICA-UHFFFAOYSA-N
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| 30528 |
+
3ACE368075F852BD_29CE4F6EC8232462_6041_UN,FC1=C(C=CC2=C1CCC2)NCC(OC)C3CCOC3,IIQWJJRFYPESDC-UHFFFAOYSA-N
|
| 30529 |
+
3C17CEB64D96C988_6E752177025126C1_7019_UN,C(CC2C1CC3CC(C1)CC2C3)=CC4=CC=C([N]4C)Cl,CXTOWAIYWKODLM-UHFFFAOYSA-N
|
| 30530 |
+
41CE58FBF17C62A4_F45997794D245A08_6041_UN,CN4CCCN(CC1=C(C=C(C=C1)NCC3C2CC2CC3)F)CC4,URSHJTNAJYAWTD-UHFFFAOYSA-N
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| 30531 |
+
43EC53E04BB98F88_2F84D649EF1B196B_6034_UN,CN4CCC1=C(C3=C(N1CC2(C)CCCN2)C=CC(=C3)Cl)C4,RCPGEMXBTATFGR-UHFFFAOYSA-N
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| 30532 |
+
459E204832C8EECA_2A06D1296184071F_6039_UN,C[C@@H](COCC(OC)C1CCCOC1)N2CCOCC2,HILIQNNDCYVVNX-NFOMZHRRSA-N
|
| 30533 |
+
49E9D2A53C9AC438_E48C80E2B22CE606_6034_UN,CN4CCC1=C(C3=C(N1CC2CCNC2CC)C=CC(=C3)Cl)C4,QUKUKYDLTMFIIT-UHFFFAOYSA-N
|
| 30534 |
+
50373FDF2E140F19_891EB38C9F9BD489_6041_UN,CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NCC4=NC3=C(CCCC3)S4)C5,QBKMZGJCBQONHR-UHFFFAOYSA-N
|
| 30535 |
+
55B5D522E980B07E_377A0C235616E36E_6041_DP,CC1=C(C=CC(=C1F)C#N)NCC3NC2COCC2C3,BPXUKQZOKRJJHV-UHFFFAOYSA-N
|
| 30536 |
+
5CBEE4FC99EDCF0B_7E00EA5EDBDF100F_6034_UN,FC1=C2C(=CC=C1)C4=C(N2CC3CCCCN3C)CCNC4,UDAZZKYRXMNSNC-UHFFFAOYSA-N
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| 30537 |
+
5E9FF695BFED22A8_28FC289728E7204F_6039_UN,CN(C)CC1CCCCC1OCCCN2CCOCC2,TZXCUDHXQMDMAX-UHFFFAOYSA-N
|
| 30538 |
+
5E9FF695BFED22A8_EDD60D8EB0B19319_6039_UN,CN(C)CC1CCCCC1OCCCN2CCOCC2,TZXCUDHXQMDMAX-UHFFFAOYSA-N
|
| 30539 |
+
5FEA8BEE25CFDDCA_BA35206AB17BFFDB_6034_UN,CCNC4CCC1=C(C3=C(N1CC2CCCCN2CC)C=CC(=C3)Cl)C4,PJJFCXLSMDPWSD-UHFFFAOYSA-N
|
| 30540 |
+
60807046FA89830C_0ACF2C463EA424C2_6039_UN,CC1COCCN1CCCOCC(OC)C2CCCOC2,IMQIBIXFYAQYLK-UHFFFAOYSA-N
|
| 30541 |
+
60B38C788B7E03C5_B764649F1025E6F1_6041_DP,CN(C1[C@@H]2CNC[C@H]12)C3=NC=C(N=C3)NC5CCCN(CC4=C(C=CC=C4F)F)C5,AKEMHCBTNYMADL-GERGAVKQSA-N
|
| 30542 |
+
61635D4A7FE7BE15_4DBF71F0BB381A7E_6039_UN,CN3C[C@@H]2CC[C@H](OCCC(C(F)F)N1CCOCC1)[C@@H]2C3,VJRJIEBGUYGWKM-IXXDHKBRSA-N
|
| 30543 |
+
61FC0A31F7B8594F_38688470C32515C3_6041_UN,CN3CCCN(CC1=C(C=C(C=C1)NCCC2CCSC2)F)CC3,LABKSOSDQSMIAG-UHFFFAOYSA-N
|
| 30544 |
+
625EEAC7AEFC1911_2949772582269D48_6038_UN,N(CC1=NOC(=N1)C2=CC=CS2)C(C45CC3(CC(CC(C)(C3)C4)(C)C5)F)=O,JTWGHCVXSZKXHC-UHFFFAOYSA-N
|
| 30545 |
+
63EF6EA60276248C_81A8163E45C7A372_6034_UN,CCNC4CCC1=C(C3=C(N1CC2(CN(C)C2)C)C=CC(=C3)Cl)C4,FMWKTTPMMXQDIP-UHFFFAOYSA-N
|
| 30546 |
+
640C5531357F1AAD_6F8EC043881AD7CF_7019_DP,N3CCC(CC=CC1=C(Cl)[N](C(=N1)N(C)C)C2=CC=C(C=C2)C)C3,XUWIETYFRFUMRZ-UHFFFAOYSA-N
|
| 30547 |
+
64E3538FD8EA8B32_6A269A59AA2D60FF_6034_UN,CCNC4CCC1=C(C3=C(N1CC2(C(C)CNC2)C)C=CC(=C3)Cl)C4,GATJKLVNNRPKSH-UHFFFAOYSA-N
|
| 30548 |
+
669E4298E40CC409_0FABAB8BC9DD8A6A_6034_UN,CCNC4CCC1=C(C3=C(N1CC(CC)N2CCNCC2)C=CC(=C3)Cl)C4,XSYDOTJJZULBCS-UHFFFAOYSA-N
|
| 30549 |
+
66A4B9E9306467E0_89940741DB7F1696_6034_UN,CCNC4CCC1=C(C3=C(N1CC(C)C2CCNCC2)C=CC(=C3)Cl)C4,CDAIQNRIIRPOEQ-UHFFFAOYSA-N
|
| 30550 |
+
69E0EC03F7A50B58_E4CC2B5528215318_6034_UN,CN4CCC1=C(C3=C(N1CC2CCCCN2CC)C=CC(=C3)Cl)C4,KTJBVAVNLIYULV-UHFFFAOYSA-N
|
| 30551 |
+
6C17CFDB4EAB2772_2CEEFF833489135A_6041_DP,CN(C1[C@@H]2CNC[C@H]12)C3=NC(=CN=C3)NC5(CC4=C(C=CC=C4F)F)CCCCC5,AOFCBHJJLJOPRO-AQKKSAQBSA-N
|
| 30552 |
+
6E6A8A2CC6EE58CE_A85B464F4800FF0F_6034_UN,BrC1=C2C(=CC=C1)C4=C(N2CCC3CCCCN3C)CCNC4,MPUDRGGGSLEUFE-UHFFFAOYSA-N
|
| 30553 |
+
738B84ACA1C944C1_0A1992CE9146AB09_6034_UN,BrC1=C2C(=CC=C1)C4=C(N2CC3CCCCN3C)CCNC4,RIPHJPAZEDKXSQ-UHFFFAOYSA-N
|
| 30554 |
+
768BEB2DB5EBB9EE_B70A71E1BC8FBA0A_6041_UN,C1(=CN=C2CCCC[N]12)NCC3CC4CCC3N(C)C4,GTICQGQJMIWZPI-UHFFFAOYSA-N
|
| 30555 |
+
7B0C3B4AD3855107_6618C62847E720D9_6039_UN,CCCC2(OCC(OC)C1CCOC1)CCCN(CCC#C)C2,FPERPUNTVDHZJZ-UHFFFAOYSA-N
|
| 30556 |
+
7B291C4F2910FDB9_D15E0861D0D38276_6039_UN,CC(OCC(OC)C1CCOC1)CCN2CCOCC2,BKTLZDIVVBBCAF-UHFFFAOYSA-N
|
| 30557 |
+
7B8136C2BDCDDD2E_3483C93FB6E3067D_6041_DP,CN(C1[C@@H]2CNC[C@H]12)C3=NC=C(N=C3)NC5(CC4=C(C=CC=C4F)F)CCCCC5,PZXOWWMDYCUKRT-AQKKSAQBSA-N
|
| 30558 |
+
7B90E33AEE783794_21498D717EAB5EA9_6034_DP,FC1=C2C(=CC=C1)C4=C([N]2CCC3CNC(C3)(C)C)CCNC4,BGZCXPUVFFYUKP-UHFFFAOYSA-N
|
| 30559 |
+
7FA15735D9028FBA_EDBB3731B4F6A179_6041_UN,CN4CCC1=C(N=C(S1)NCC(N2CCCC2)C3=CC=CS3)C4,WEMKDOJXSVARHN-UHFFFAOYSA-N
|
| 30560 |
+
86209D0743102DA2_8FD8C6DA9AD80D3C_6041_UN,CN4CCCN(CC1=C(C=C(C=C1)NCC3CC2CCOCC2CC3)F)CC4,VNCHUGBAJIKQRX-UHFFFAOYSA-N
|
| 30561 |
+
86B6509267608916_11BA380E0A92A4E3_6039_UN,O([C@@H]1COC[C@H]1N2CCOCC2)CC(OC)C3CCOC3,CUVKUKBNDVYZHJ-HXSCFSKGSA-N
|
| 30562 |
+
8977D7F0A815DE78_CDB552038A5F8014_6039_UN,CC(OCC(OC)C1CCCOC1)CCN2CCOCC2,DOVWFBAJAYZHKA-UHFFFAOYSA-N
|
| 30563 |
+
8B55368E158D975E_BD30E4F32AE780B0_6041_UN,CN3CCCN(CC1=C(C=C(C=C1)NC(C)C2COCCC2)F)CC3,IVPLHCSZZDYRQF-UHFFFAOYSA-N
|
| 30564 |
+
8D52F98EA2F9B60B_56FD536D21E0544F_6039_UN,C[C@@]2(COCC(OC)C1CCOC1)COC[C@@H]3CCCN23,LUYWKORLDNJOKQ-GRAKBVBRSA-N
|
| 30565 |
+
955FE272F3229CD9_2FAAD5F47C784846_6034_UN,CCNC4CCC1=C(C3=C(N1CC2CNCC(C)C2)C=CC(=C3)Cl)C4,HLIRYHBFWWEVDU-UHFFFAOYSA-N
|
| 30566 |
+
96268B0D3CF2A0BB_4F34E18B980786B8_7019_DP,N3CCCC(CC=CC1=C(Cl)[N](C(=N1)N(C)C)C2=CC=C(C=C2)C)C3,ZTPVZZPDDLIAQG-UHFFFAOYSA-N
|
| 30567 |
+
981AAD1E80FF629A_2AA24EC2EBD83A5A_6041_DP,CN4CCC1=C(C2=C([NH]1)C=CC(=C2)NC(C)C3CCCCN3)C4,YLVLTRSPHVIQJR-UHFFFAOYSA-N
|
| 30568 |
+
9E304DA2BB2025C0_F2811278BCA5C4C4_6039_UN,CC2(CCCCCOCC(OC)C1CCCOC1)OCCO2,MMJTYUHYRZPTMH-UHFFFAOYSA-N
|
| 30569 |
+
A2E2BF75C0F9B2E6_81AA5DB85C004EBA_6038_UN,N(CC1=NC(=NO1)C2=CC=CS2)C(C45CC3(CC(CC(C)(C3)C4)(C)C5)F)=O,RWEXPOBPVKQNGV-UHFFFAOYSA-N
|
| 30570 |
+
A35DFCE96DAD521A_2D5FEABAA8BC7243_6041_UN,CN3CCCN(CC1=C(C=C(C=C1)NCC2(C)CCOCC2)F)CC3,IUZWIWRGCAKPKU-UHFFFAOYSA-N
|
| 30571 |
+
A61C5E7908BD02BE_1FDD8542AA3230D7_6041_DP,CC1NCC[N]2C(=CC=C12)NC3CC4CCC3N(C)C4,VDCGLGVHPKWXOH-UHFFFAOYSA-N
|
| 30572 |
+
A62CAC31CE7DCDB9_DC423EDF02994409_6034_UN,FC1=C2C(=CC=C1)C4=C(N2CCC3CCCCN3C)CCNC4,YQHXXTQYABLLNM-UHFFFAOYSA-N
|
| 30573 |
+
A869464DE3BCB1AF_CB23921D44CAA4B4_7022_UN,COC1=C(C(=C(C=C1)Br)F)NC(CC2CCCCC2)C3COCCO3,YIAHJZRIHQXTFB-UHFFFAOYSA-N
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| 30574 |
+
ABA89AD59D8E72C1_F59226C01392853F_6041_DP,CN4CCCN(CC1=C(C=C(C=C1)NCC2C3(CCNC2)CCOC3)F)CC4,RRJOBDJOQSGSMY-UHFFFAOYSA-N
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