Added 127 molecules from epoch 15516 for P31645
Browse files- P31645_molecules.csv +127 -0
P31645_molecules.csv
CHANGED
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@@ -7612,3 +7612,130 @@ ECAE9929D0859C21_3690A8529A5744B0_6031_UN,O(C(=O)C1=CC2=C(N=C1)C=C(Br)C=C2)CC(C(
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| 7612 |
F2B35B6F8FC0599E_BA01B7B615B133A1_6039_UN,O(C2(CC1CO1)CCOCC2)CC3OCC4CCOC34,FKPWIROYVAAWFH-UHFFFAOYSA-N
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| 7613 |
F4C1DCC06570FAE5_E81A0AB99DB6746B_6029_UN,N(C1=CC=C(C=C1)C#N)[S](C2=CC(=CC(=C2)CO)Cl)(=O)=O,JVCIMUSIZRMXNL-UHFFFAOYSA-N
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| 7614 |
FF317A5F513AC417_7B672172FDE5E6FD_6031_UN,O(C(=O)C1=CC2=C(C=C1)CNCC2)CC4(C3=CC=CC(=C3CC4)OC)N,BPTLVGKWYGXBKN-UHFFFAOYSA-N
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| 7612 |
F2B35B6F8FC0599E_BA01B7B615B133A1_6039_UN,O(C2(CC1CO1)CCOCC2)CC3OCC4CCOC34,FKPWIROYVAAWFH-UHFFFAOYSA-N
|
| 7613 |
F4C1DCC06570FAE5_E81A0AB99DB6746B_6029_UN,N(C1=CC=C(C=C1)C#N)[S](C2=CC(=CC(=C2)CO)Cl)(=O)=O,JVCIMUSIZRMXNL-UHFFFAOYSA-N
|
| 7614 |
FF317A5F513AC417_7B672172FDE5E6FD_6031_UN,O(C(=O)C1=CC2=C(C=C1)CNCC2)CC4(C3=CC=CC(=C3CC4)OC)N,BPTLVGKWYGXBKN-UHFFFAOYSA-N
|
| 7615 |
+
0159FBE05F4E4481_4790EE70A50D8637_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN2CC3(OC)CNCC3,SQXGHWBGJXLJRY-UHFFFAOYSA-N
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| 7616 |
+
05A71ED1F7CF52AA_E0CD456DCA63E83B_6026_UN,CCC1=CC=C(S1)[S](=O)(=O)NCC2=CC(=C(C=C2)C)OC,OIBQWOXNYLLRLY-UHFFFAOYSA-N
|
| 7617 |
+
075569C2D4FA6A09_4E91DA4B5B347EB0_2238_DP,N3C1C(NC2=C(C1)C(=CC=C2)C3(C(O)=O)C4=COCCC4)=O,ZLGNQLPHHZVZMU-UHFFFAOYSA-N
|
| 7618 |
+
0A7474AFF5FFC93D_2CE84820EE1BA6E0_6041_DP,COC1=NC(=C(C=C1)[N](=O)=O)NC3=C2CCNC2=CC=C3,CWWQAHBONRVIHD-UHFFFAOYSA-N
|
| 7619 |
+
0F225A7FEBC7778D_E94AA0757993FA5C_6031_DP,O(C(=O)C1=C(C=CC(=C1)Br)I)CC3=CC2CCC(N2)C3,MSMRMIHNCONNRP-UHFFFAOYSA-N
|
| 7620 |
+
0FA14D76420E633B_7278F25AC28AED9B_6038_DP,N(C1=CC(=C(C(=C1)F)I)F)C(C23CC(CN2)CCC3)=O,BVWLLASSKXDQTB-UHFFFAOYSA-N
|
| 7621 |
+
0FFEBBEBB49094B0_037502817A5EC5AF_6038_DP,N4CC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)OCCCO3)C4,BCKWBHFKHBEOJI-UHFFFAOYSA-N
|
| 7622 |
+
1228A922F6863363_9EBF7C3BB616F0C7_6026_DP,[S](=O)(=O)(C1=COC2=C1C=CC=C2)N4C3(CNC3)OCC4,IMPMHVMTOIQGMH-UHFFFAOYSA-N
|
| 7623 |
+
12634865D59D2B2A_77CC7C91A015DA5C_6041_UN,C1(=CC2=C(C=C1)C(=O)OCC2)NC3=CC(=CC(=C3)F)S,LSOZFBNTLJARPV-UHFFFAOYSA-N
|
| 7624 |
+
1341A064AA4AE4FD_FCF1040579A83A92_7022_UN,C1(=CC2=C(C=C1)C=C(Cl)C=C2)OC3(CC3)C4CCCCC4,PPSRJUNDGGEUTQ-UHFFFAOYSA-N
|
| 7625 |
+
142D73665269FBFF_7ABD9755516C6BD6_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(=O)C2=C(C(=CS2)Br)Br,NBJSIFLENHDOPX-UHFFFAOYSA-N
|
| 7626 |
+
20FAFC2683BD244A_385BA7E6EA86BEAD_6003_UN,O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)C3=CC=C4C(=C3)CCOC4=O,LNQQCGFOUJQDNK-UHFFFAOYSA-N
|
| 7627 |
+
224B30F4D1580A18_B1C390C45362E6D6_6031_UN,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2[NH]3)CC4(C)CCCCN4,GATQWEPGYVUSTJ-UHFFFAOYSA-N
|
| 7628 |
+
29521E1420978D67_AB077AB36269CFB6_6041_UN,COC1=CC(=C(C=C1)NC2=CC(=C(OCC)C=C2)[S](=O)(=O)N(C)C)C,HRCKUWQRRJJCEU-UHFFFAOYSA-N
|
| 7629 |
+
2DE0C4F5CC46CB00_282B30CE6701B231_6034_DP,CC(=O)C1=C[N](C2=C1C(=CC=C2)Br)CC45OC3(CNC3)C(C4)(N)C5,VMEUXEULPSUQBI-UHFFFAOYSA-N
|
| 7630 |
+
2EC9D029664B4655_549469ABF5563984_7015_UN,CN(CC1=CCCOC1)[S](=O)(=O)C3=C2C=CN=CC2=CC=C3,KITOKWCXUSMEHQ-UHFFFAOYSA-N
|
| 7631 |
+
31646C9F61CDB715_E7EC54509D2D8C25_6041_DP,O=[N](=O)C1=C(C(=CC=C1)NC2=CC3=C(C=C2)CNCCO3)F,GIBDJPCSFPKZEJ-UHFFFAOYSA-N
|
| 7632 |
+
320D5824EC9E4B67_73606BE7D3C78BEC_6038_DP,N5CCC1=C(C=C(C=C1)OC(=O)C2(CC2)C3=CC4=C(C=C3)OCO4)C5,WRNBPAPZLFFMFY-UHFFFAOYSA-N
|
| 7633 |
+
324149DD118F225E_48B48F958CDF2A03_6038_UN,N(C2=C1C3CCC(C1=CC=C2)O3)C(=O)CCN5N=C4C=CC=CN4C5=O,FVPITMXLZJNKNY-UHFFFAOYSA-N
|
| 7634 |
+
36B38A3A8613348E_219F11FE4248479D_6041_UN,FC1=C(C(=CC=C1)NC[C@@H]2COC[C@H]2N(C)C)C3CC3,HZHQHFKNCKJHCP-IUODEOHRSA-N
|
| 7635 |
+
386A715B378E216C_157D652BB61206A5_6041_UN,C1(=CC=C(S1)C2CC2)NC3=C(C=C(OC)C=C3)[N](=O)=O,HGGUAUPFYVDCOF-UHFFFAOYSA-N
|
| 7636 |
+
38B05087A259C40B_3214BA1465FB0093_6038_DP,N3CC2(F)CC(CNC(=O)C1=C(C(=CC=C1)Br)I)(C2)C3,NHXGUNPGMRXGOQ-UHFFFAOYSA-N
|
| 7637 |
+
3960702C3157EF1F_B9B0782FF19190B2_6028_UN,N(CC1C2CC(C1)C3CC23)[S](C4=C(OC)C=CC(=C4)Br)(=O)=O,RZZBVXGQKYOWAP-UHFFFAOYSA-N
|
| 7638 |
+
3B1F30447D1945C2_6C9D44C4B165624A_6034_UN,BrC1=CC2=C(C=C1)N(C=CC2=O)CCC3(N)CCNCC3,PMHIIGSKUCKPAM-UHFFFAOYSA-N
|
| 7639 |
+
3CDD5C8AE8A281D0_3A6C7433305467D7_6034_UN,FC1=CC2=C(C=C1)N=C(S)N(C2=O)CC3C4=C(CNC3)C=CC=C4,VCZYVXMTSRKLRD-UHFFFAOYSA-N
|
| 7640 |
+
3D18EDE9483007DD_12E28EFA47F1530D_6041_UN,C1(=CC(=CC=C1)CC2CCC2)NC[C@@H]3COC[C@H]3N(C)C,HGDOQSBPZOGYOD-SJLPKXTDSA-N
|
| 7641 |
+
3E969D9DBA80871A_C35E2D432E6FD1BD_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C3CC2=C(N=C(CC)N=C2)CC3)=O,UNKPEKSXPJRFNJ-UHFFFAOYSA-N
|
| 7642 |
+
3F21B335A85E930B_0E7C02D1F81F8299_6031_UN,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2OC3)CC4C=CCN4,KBGRTOPEMORAHH-UHFFFAOYSA-N
|
| 7643 |
+
3FD5F8AE30B5E363_FAA7B8E7F6E48A1F_6041_UN,C2(=C1C=CC=CC1=CC=C2)NC[C@@H]3COC[C@H]3N(C)C,SURYSPJVGOFXAK-RHSMWYFYSA-N
|
| 7644 |
+
3FF7323493DB38F0_7D09BE2F16278357_6041_UN,CCC1=CC(=CS1)NCC2=CC(=C(OC)C=C2)[N](=O)=O,AVPCHRMQJCSRKU-UHFFFAOYSA-N
|
| 7645 |
+
411F1775A3A60F0F_56A46091E49D2975_6038_UN,N(C1=CC2=C(C=C1)OCCC2)C(=O)C3=C[NH]C4=C3C=CC(=C4)[N](=O)=O,VLXANBAOUPYIQX-UHFFFAOYSA-N
|
| 7646 |
+
413006F7947CBD6F_3CDDC44165733494_6038_DP,N1C2CCCC(C1)C2CNC(=O)CC3=CC(=C(C=C3)I)Br,PYYNCUNJAFUSLJ-UHFFFAOYSA-N
|
| 7647 |
+
43EFDF15D52B5290_3028AFD0B5FE6DA1_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C2=COC(=N2)C(C)C)=O,PTPQLXMZONBNAG-UHFFFAOYSA-N
|
| 7648 |
+
469261A19007BE65_A4DEEFC62B444357_7019_UN,C(C2=C1CCOCC1=CC=C2)=CC3=C(C=C(O)C=C3)F,NNCLQBZREVFSDP-UHFFFAOYSA-N
|
| 7649 |
+
495B51894601DD45_656BAD3C282BC4B1_6041_UN,CN(C)CC1=C(C=CC(=C1)N[C@@H](C)C2CCCCCC2)F,ACBWDWUHNDLUKF-AWEZNQCLSA-N
|
| 7650 |
+
4FDF94D7D03EEC39_8185C910BA564918_6041_UN,C2(=C1[NH]C=CC1=CC=C2)NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,BGSPJAVJPLWWPH-UHFFFAOYSA-N
|
| 7651 |
+
57403350385E3F7F_983E9F16E1431AD2_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C(=NOC)C2=CSC(=N2)N)=O,FDUZINNKNWBBQO-UHFFFAOYSA-N
|
| 7652 |
+
58D9031E2D7C7933_C8B51F9FBC84C272_6043_UN,COC(=O)C1=C(C(=CC(=C1)F)N[S](=O)(=O)C2(CC=C)CC2)F,SRQONSPZYXEYSW-UHFFFAOYSA-N
|
| 7653 |
+
5E6CA3B0D0D4570D_708703E487672BCC_6029_UN,N(CC1=CC2=C(C=C1)OC=C2)[S](C3=CC=C(CCN(C)C)C=C3)(=O)=O,AEVUVJUQAPIMQB-UHFFFAOYSA-N
|
| 7654 |
+
5FC18338FF2DD3B0_88CCBFAF2CA7B592_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(=O)C3CCN2C(=NNC2=O)C3,QXOQOJGAEUUZEQ-UHFFFAOYSA-N
|
| 7655 |
+
609C27EF3596BB2B_C94F9E4A7C968F91_6031_DP,O(C(=O)C1=C(C2=C([NH]1)C=CC(=C2)Br)F)CC4=CC3CCC(N3)C4,CSFGDZCYUGEWMJ-UHFFFAOYSA-N
|
| 7656 |
+
61983AEA9B49EBBA_34E35084D197040B_6038_UN,N(C1=CC2=C(C=C1)CCCC2)C(C3=CC=C(C(N)=O)C=C3)=O,OLMFWOBDONHVNM-UHFFFAOYSA-N
|
| 7657 |
+
6321403DFE4170DE_97AC41D928C71D6D_6035_UN,O(CC1=CC=C(C=C1)[N](=O)=O)C2=C(C)C=C3C(=C2)CCNC3,NRQKUQAHOURNHI-UHFFFAOYSA-N
|
| 7658 |
+
63FD6C4227E0CB65_D29296E85B19EF03_6026_UN,COCOC1=C(C(=CC=C1)C)[S](=O)(=O)NC2=CC(=C(COC)C=C2)OC,HBJGBXQGYMXWGJ-UHFFFAOYSA-N
|
| 7659 |
+
69AB1CD47979CA16_82A7C40F96991FF3_6038_DP,N4CCC1=C(C=C(C=C1)OC(=O)CC2=CC3=C(C=C2)OCCCO3)C4,DQKITGXNOCRBNL-UHFFFAOYSA-N
|
| 7660 |
+
705E8B510F43675F_BC78BC77EA4A66CF_6034_UN,BrC1=CC=C(C=C1)N2C=CN(C2=O)C[C@H]4[C@@H]3CNC[C@@H]3C4,ZHLGCSOEHKGLCF-SLEUVZQESA-N
|
| 7661 |
+
711F986F76AE2EEA_533410369A0D1E15_6041_UN,C1(=CC=C(C=C1)C2CCOCC2)NCC4=C(N3CCCN(C)CC3)[N](N=C4C)C,OMTFWBPJQWNHEJ-UHFFFAOYSA-N
|
| 7662 |
+
721F94623651171C_5B6DF77C8D39A0BF_6031_UN,O(C(=O)C1=NO[C@H]2[C@@H]1CNC2)CC4C3=C(C=CC=C3)C5=C4C=CC=C5,LBEZOABFKCRQDV-FUHWJXTLSA-N
|
| 7663 |
+
728F2BBE12C8CA04_3F651B3C7640006F_6034_UN,BrC1=CC(=CC=C1)N2C=CN(C2=O)C[C@H]4[C@@H]3CNC[C@@H]3C4,VEPUPELTRPPMCJ-SLEUVZQESA-N
|
| 7664 |
+
7CF14868DF1391E9_38B9837E47A9F49A_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC4=C(C=C3)COCC4,XIGUMAATWIARAS-UHFFFAOYSA-N
|
| 7665 |
+
822A8203FE5050C6_5F5FF09AEE4A39E8_7022_UN,C1(=CC2=C(C=C1)C=C(Cl)C=C2)OC3(CCCC3)C4=CC=CC=C4,OHENVQFQTLAJDV-UHFFFAOYSA-N
|
| 7666 |
+
829D25027042ED64_33F086BDB6573C39_6031_UN,O(C(=O)CN1C2CC(C1)C=C2)CC4=C3N=CC=CC3=CC=C4,GLGNMMOAQLWSAU-UHFFFAOYSA-N
|
| 7667 |
+
82B07B85EE723F1C_F8CDFAD40D91A5F0_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C2=N[N](C(=N2)C)C)=O,LAOKWYSJCPHSPI-UHFFFAOYSA-N
|
| 7668 |
+
8567123EEFA7A85D_61E39D4FC93A6B0A_7019_UN,C(C1=CC(=O)OC2=C1C3=C(C=C2)C=CC=C3)=CC4(SC)CCC4,JCNSTXGEAATSBR-UHFFFAOYSA-N
|
| 7669 |
+
85EE64E2B7F1054E_FD2A5BD95E28A1A3_7022_DP,C1(=CC=C(O1)C2CC2)NC3=NC(=N[N]3C)[C@@H]4CCCN4,HZJCRUSYDDROTA-JTQLQIEISA-N
|
| 7670 |
+
8765F1F9D968CE05_C131A0771459534B_6026_UN,CCCC1=CC=C(S1)[S](=O)(=O)NC2=CC(=C(C=C2)C)OC,ZPFLYVSGSMPRHD-UHFFFAOYSA-N
|
| 7671 |
+
887B45ECFABCB6AD_AAF7E1B2F38250FB_6041_UN,O=[N](=O)C1=CC(=NC=C1)NC2=CC=CC3=C2CN(C)C3,YECHHUBAMAUWNQ-UHFFFAOYSA-N
|
| 7672 |
+
8A0BBF4E7563E5C9_5AC6885290CACE8F_6038_DP,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C23CC(CN2)CCC3)=O,UUZJYHXFSSFWHB-UHFFFAOYSA-N
|
| 7673 |
+
8BDD5ABF4A5C5FB0_AAF8A1A5C2EF1C4A_7015_UN,CN(CC1=CCCOC1)[S](=O)(=O)C3=C2N=CC=CC2=CC=C3,LACSCZWSUKCOOG-UHFFFAOYSA-N
|
| 7674 |
+
8E3299313CABC62F_07C2C5B47AB69C89_6038_UN,N(C1=CC3=C(C=C1)OC2(CCC2)CC3)C(=O)CC4=CC(=CC=C4)[N](=O)=O,QYYZQKRGSDMLBQ-UHFFFAOYSA-N
|
| 7675 |
+
8F24017EBFB03ACD_9EA05F20D811469A_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(=O)C2=C(C=C(C(=C2)F)Br)F,WSLJOCVWYZHLDK-UHFFFAOYSA-N
|
| 7676 |
+
8F5FA00BFB8EFEB4_01EA3236008B903B_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(=O)[C@@H]2CC[C@@H](O2)C3=CC=CC=C3,YAUVTFYSYJECEV-LNKXUWQBSA-N
|
| 7677 |
+
95C0FE3FD587EAEE_E60337E55B27961E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2OCCO2)NCC4=CC3=C(C=C(OC)C=C3)C=C4,VPHXUIVZYCSPNO-UHFFFAOYSA-N
|
| 7678 |
+
992818E4FD4FA9F6_FFD204BB978352E5_6038_DP,N4CCC1=C(C=C(C=C1)OC(=O)CC2=CC3=C(C=C2)OCC3)C4,JMWCCJQLPDPQEB-UHFFFAOYSA-N
|
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