Added 96 molecules from epoch 15517 for P31645
Browse files- P31645_molecules.csv +96 -0
P31645_molecules.csv
CHANGED
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@@ -7739,3 +7739,99 @@ FE205045E01362E0_FDED48CB725059FC_6038_UN,N(C1=CC3=C(C=C1)OC2(CCC2)CC3)C(=O)C4=C
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| 7739 |
FE354651E3354DBC_CB6530B52150C535_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C2=C(C(C)C)OC=C2C)=O,UZWIWINZXFLFNX-UHFFFAOYSA-N
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| 7740 |
FE4A357DE5328A74_D98EE96EEA0565A9_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(=O)C2=CON=C2C3CCC3,OPQNPUWGDWOFTG-UHFFFAOYSA-N
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| 7741 |
FFF743864AAAA201_8EF587FB7F50E03C_6029_UN,C1C2CN(C1)CCN2[S](C3=C(O)C=C(C(=C3)Cl)F)(=O)=O,YMKKMNMIMXAKJX-UHFFFAOYSA-N
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| 7739 |
FE354651E3354DBC_CB6530B52150C535_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(C2=C(C(C)C)OC=C2C)=O,UZWIWINZXFLFNX-UHFFFAOYSA-N
|
| 7740 |
FE4A357DE5328A74_D98EE96EEA0565A9_6038_UN,O(C(C(=C(F)F)F)C1=CC=CC=C1)C(=O)C2=CON=C2C3CCC3,OPQNPUWGDWOFTG-UHFFFAOYSA-N
|
| 7741 |
FFF743864AAAA201_8EF587FB7F50E03C_6029_UN,C1C2CN(C1)CCN2[S](C3=C(O)C=C(C(=C3)Cl)F)(=O)=O,YMKKMNMIMXAKJX-UHFFFAOYSA-N
|
| 7742 |
+
006B6C79EC083BE1_69019767AFCE24A3_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=C(N(CC)CC)C=CC(=C2)[S](=O)(=O)N(CC)CC,ZEPUCQLVWUTNFJ-UHFFFAOYSA-N
|
| 7743 |
+
02D12610B0389DBC_F5AAE69FF0FBE5F1_7022_UN,C1(=CC(=C(C=C1)F)F)O[C@@H]6CC5=CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC=C3C4=CN=CC=C4)[C@]5(CC6)C,XZIYDTJZOIYLOI-GFDXUBCRSA-N
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| 7744 |
+
067FC14ACCFC595F_A139C97E4E5A93C9_6038_UN,N(CC1=C(C=CC(=C1)[S](=O)(=O)N)F)C(C3=CC2=C(C=C(N(C)C)C=C2)C=C3)=O,IIVZXUUDMGTHGY-UHFFFAOYSA-N
|
| 7745 |
+
07C4655366246C21_BF7A9AFDA39CD4F5_6026_UN,FC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,WIEDWLGWDNTWSJ-UHFFFAOYSA-N
|
| 7746 |
+
09D3E18D6FFFDFF2_025595505A09F567_6035_UN,CN1[C@H]4CC[C@@H]1C[C@H](OC2=C(C=NC=N2)C3=CC=C(C=C3)Br)C4,BNJOLONCSRDRAQ-ZSHCYNCHSA-N
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| 7747 |
+
1DF4029AE35FB250_B46ACDB7D243E140_6038_UN,N(C1=CC(=C(N=C1)Cl)Br)C(=O)C3=CN2C(=NCC2)C=C3,MELSKLNHXMQOSA-UHFFFAOYSA-N
|
| 7748 |
+
1E3544608D38EE83_4C4E5CDD10154785_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=CC(=CC=C2)CC(=O)O,ZYTRTKCVGXRPBG-UHFFFAOYSA-N
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| 7749 |
+
1FA235707033013F_FC485BED2F450AD9_6041_UN,OB(O)C1=C(C=CC=C1F)NCC2CCCOC2C3=CC=CC=C3,BTKWCQGOBJCSMG-UHFFFAOYSA-N
|
| 7750 |
+
20EAAD0BCED16F72_89CD64E953D6A7AA_6029_UN,CC1=CC(=CC(=C1)C)C2=CCN(CC2)[S](C3=CC=CC(=C3[N](=O)=O)C)(=O)=O,BCUGSTMSTJVYJU-UHFFFAOYSA-N
|
| 7751 |
+
26764064948328AA_877A87BA732F57F3_6035_UN,CC2(C)[C@@H](OC1=C(C(=CC=C1)Br)CC=C)[C@H]3CCCN[C@@H]23,WZHZPCJNGFPBEX-XKQJLSEDSA-N
|
| 7752 |
+
28744E91732B0C28_C50E9D41835D8ECF_6041_UN,COC1=CC(=C(C=C1)NCCCCC2=CC=C(C=C2)[N](=O)=O)C,HFPLLFHNKOPLRE-UHFFFAOYSA-N
|
| 7753 |
+
2888B6BA83512F66_9A1B0CBD2947F2F2_6039_UN,C[C@@H](OCC1=CSC(=N1)N(C)C2CC2)C3=C(C=CC(=C3)F)C,RCFTYZIDXQLZNZ-GFCCVEGCSA-N
|
| 7754 |
+
2A12086FEA74CE4D_539361653580867D_6031_UN,O(C(=O)C=CC1=CC2=C(C=C1)[NH]C=C2)CC3NCCC=C3,RDAFAZMGGTWINK-UHFFFAOYSA-N
|
| 7755 |
+
2A77933C1AA89091_DD9B444C68114D9B_6038_UN,N(C1=CC(=C(C=C1)F)C2CC2)C(C3=C(N(C)CC=C)C=CC(=C3)[S](=O)(=O)N)=O,AURYPRWUAYYFMU-UHFFFAOYSA-N
|
| 7756 |
+
2F1B0901623DDB90_A379CA59DA529291_6035_UN,O(C1CC2CCC(C1)[S]2(=O)=O)C3=CC=CC(=C3C=NO)Br,KDXASLVVIYIXIZ-UHFFFAOYSA-N
|
| 7757 |
+
3278CFF52D870F50_5588DD820AB252E6_6035_UN,CC2(C)[C@@H](OC1=C(C=CC=C1F)CC=C)[C@H]3CCCN[C@@H]23,PBHHBRMRWMPNKA-XKQJLSEDSA-N
|
| 7758 |
+
32C02BD0CD325E49_E74E6A4A06D7FCC0_6038_UN,N(C1=C[NH]C2=C1C(=CC=C2)F)C([C@H]3[C@@H]5C[C@@]3(C4=CC=N[N]4C)CC5)=O,KJKXJTXUEQQXEZ-OWOPXTPDSA-N
|
| 7759 |
+
33174DC750B4E102_9240928BC37E99A6_7022_UN,CC1=C(C(=C(C=C1)F)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4)F,YJZKRRKEGIBTHO-VLIAUNLRSA-N
|
| 7760 |
+
33FBC8125595E604_5BE21900C8ED4D61_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=CC=C(C=C2)[N]3C=NN=N3,BZJSLXOOLYEXNH-UHFFFAOYSA-N
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| 7761 |
+
3A697ADC76052313_8BA77633131FD7C7_6038_UN,N(C1=CC(=C(N=C1)F)F)C([C@H]2[C@@H]4C[C@@]2(C3=CC=N[N]3C)CC4)=O,RTTBDLZEALVHFH-LQBHMHGISA-N
|
| 7762 |
+
3CA556E740F6B8E1_ED708FA382D5301C_6039_UN,O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)CC4=CC=C(C=C4)C5CCC5,DISVYMWNBRSPLI-QFIPXVFZSA-N
|
| 7763 |
+
3D0477D71BAA6144_45911A4738577AF1_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=CC=C(C(C)(C)C)C=C2,XCWQZJLPGUHJPP-UHFFFAOYSA-N
|
| 7764 |
+
3F2AD8FEF4BA95BC_75162534F6B66842_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C=C(C(=C1)Cl)Br)Cl)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,RQLMARBSOUXHSC-WEVMRKIBSA-N
|
| 7765 |
+
42B75058B5D0386B_5E50087665F79066_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=CC(=C(OC)C=C4)CCl)(=O)=O,DVAPLFWOCXTVGB-UHFFFAOYSA-N
|
| 7766 |
+
43711EA546E6ECD0_0A30ED5B0A36A630_6041_UN,C1(=CC2=C(C=C1)OCC(=O)C2)NCCCC3=CC=C(N(C)C)C=C3,XKHRZICMVJYZBB-UHFFFAOYSA-N
|
| 7767 |
+
454A0029DF51FAE3_6458763EB425CB05_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(OC)C=CC(=C4)CCl)(=O)=O,MCJFITFLFINTRZ-UHFFFAOYSA-N
|
| 7768 |
+
47A09A07C33B8A01_97B783F477C910AE_6039_UN,O(C1COCC1CC2CC2)CC3=CC=C(C=C3)C4CCC4,KFRRAJUHNAAROI-UHFFFAOYSA-N
|
| 7769 |
+
48A8DB8B47465E4E_59214D9ABE3BEABA_6034_UN,FC2=C1N=C(N(C1=CC=C2)CC=CC3=CC=CC=C3)C4CCNCC4,SBDVGEUALXKJPE-UHFFFAOYSA-N
|
| 7770 |
+
4CA02B3E6DECE1FE_F6D3E7194217BCFA_6006_UN,CCCNC1=C(C=CC=C1C2=CC=C(N[S](C)(=O)=O)C=C2)[N](=O)=O,FKCAVYAWWGZFCF-UHFFFAOYSA-N
|
| 7771 |
+
54948C4F5B6CC391_EC1E5D69E4F44D27_6039_DP,N4CCSC(CCOCC3CC1(CC2(C1)OCCO2)CO3)C4,GRLDFYNRFJKCRX-UHFFFAOYSA-N
|
| 7772 |
+
58076EF991C10DEE_8A568403578FFF33_6041_UN,OB(O)C1=C(C=CC=C1F)NCCCC2=CC=C(OC)C=C2,FOPNJYBSBSLVIU-UHFFFAOYSA-N
|
| 7773 |
+
5A1B6F8446FC1DFE_3DB9FD16374A078E_6041_UN,O=[N](=O)C1=CC(=C(C=C1)N2CCCC2)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,ZMUZXZPCEJJVTG-UHFFFAOYSA-N
|
| 7774 |
+
6385DB8FDF389E0D_46C585E159C1DFDC_6038_DP,N(C1=CC(=C(C(=C1)F)Br)F)C([C@@H]2CC(CN2)C34CC(C3)C4)=O,HAHYFOIONNBBED-QVMQBASASA-N
|
| 7775 |
+
6896A831D6CEBF72_84A9B2B554CE119A_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC3=C(N=C(SC)N=C3Cl)Cl)C4=CCNCC4,LETBILDILXZZFN-UHFFFAOYSA-N
|
| 7776 |
+
6A06C3A01B01DF77_107B9781FF0F3953_7022_DP,COCOC1=C(C2=C(C=C1)C=CC=C2)OC3(CCNCC3)CC4CO4,COCYQLUNMLYLEC-UHFFFAOYSA-N
|
| 7777 |
+
6B5F9A9476617CE0_280CB04437D1B92F_6029_DP,N(C1=C(C=NC=C1)Cl)[S](C3=CC=C(C2(CNC2)N=[N]#N)C=C3)(=O)=O,AMIANIGSLRICIK-UHFFFAOYSA-N
|
| 7778 |
+
6BEA7C11B705EC33_A320812972068FC4_6038_UN,N(CCOC1=C2C(=CC=C1)C=CC=C2)C(C3=C(N(C)CC=C)C=CC(=C3)[S](=O)(=O)N)=O,KPDCSFRCTLBLKK-UHFFFAOYSA-N
|
| 7779 |
+
6C4BC4796B28EB51_B506DC88A3E5C587_6041_UN,OB(O)C1=C(C=CC=C1F)NCC(N2CCOCC2)C3=CC=CS3,UOSZSRYYWFBGCJ-UHFFFAOYSA-N
|
| 7780 |
+
6CC2E2CFA40168A2_B8FAD1AD87EFD1BE_6026_DP,COC1=C(C=C(C=C1)Cl)[S](=O)(=O)NC2CC3CCC(C2C)N3,JGTAAJZGKUWDKI-UHFFFAOYSA-N
|
| 7781 |
+
6E63F707585F4614_FE8EA5F72A6F9FDB_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=C(OC)C=CC(=C2)[S](=O)(=O)N3CCCCCC3,REKXERONVIHXKE-UHFFFAOYSA-N
|
| 7782 |
+
71134539E90F29D2_5632D93DF59DF6D8_6039_UN,O(C1COCC1CC2CC2)CC3=C(C=CC=C3)C4CC4,UZVOZLCECOTLBL-UHFFFAOYSA-N
|
| 7783 |
+
71501AC96CC45BBC_C118AE8C3068691B_6035_DP,N2CCC(OC1=CC=C(C=C1)CC#N)(CC2)C3(N)CC3,OGEMIUJSLCPKAS-UHFFFAOYSA-N
|
| 7784 |
+
746581BE984FE980_CFD17007637C51CD_6031_UN,O(C(=O)C=CC1=CC2=C(C=C1)[NH]C=C2)CC3C=CCN3,VJLPUIOKLPGWFP-UHFFFAOYSA-N
|
| 7785 |
+
7B3E26999AF339B5_9866A3F23A4BB6AF_6039_UN,O(CC1CC(=NO1)C2CC2)CC4CC3COCCC3O4,UHFRBQJJBJDFCG-UHFFFAOYSA-N
|
| 7786 |
+
7CDA86EFA6CDBA90_14D7563B5DC0255C_7019_UN,C([C@]12C[C@H]1COC23CCC3)=CC(C)=C(Cl)C4=C(C=CC=C4)F,IMKSVAADMCRHPN-KSSFIOAISA-N
|
| 7787 |
+
82C29F2830D722A0_C18DBD438C461EAC_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=C(OCC)C=CC(=C2)[S](=O)(=O)N3CCOCC3,MKVNLFXSQNSQIF-UHFFFAOYSA-N
|
| 7788 |
+
83BBA817DEF0A1A3_D57FED80118F500E_6041_UN,OB(O)C1=C(C=CC=C1F)NCC(C(CC)CC)N2CCCC2,SYIAUKKKZMBNKB-UHFFFAOYSA-N
|
| 7789 |
+
84A34D3BA7D51282_D29A01765E8F2093_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)OCC3=CC(=C(N(C)C)C=C3)[N](=O)=O,GOAVAKDJJUXYNX-UHFFFAOYSA-N
|
| 7790 |
+
86D48E2D592D8EA9_9B8678F22674EF6F_6041_UN,OB(O)C1=C(C=CC=C1F)NCCCN(CC)C2=CC=CC=C2,XRHYRNQAOIDXEB-UHFFFAOYSA-N
|
| 7791 |
+
8BA1C420C42EB742_621A221916121B5E_6034_UN,FC2=C1N=C(N(C1=CC=C2)CC=CC=CC)C3CCNCC3,IIHYMNJPWYDNRM-UHFFFAOYSA-N
|
| 7792 |
+
8DDBA46A9F096E66_5BCE65CBB8396A08_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=C(OC)C=CC(=C2)C(=O)N(C)C,IAWMFNCWKGMPAZ-UHFFFAOYSA-N
|
| 7793 |
+
8E0B8FAC55A17957_C04382053392D179_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC3=C(N=C(SC)N=C3Cl)Cl)C4CCNCC4,FTIUUOPRZLKCGF-UHFFFAOYSA-N
|
| 7794 |
+
90C183FFF03A1A7F_CA33A0DB0A67DCFE_6039_UN,O(CC1C2CCCOC12)CC3CC4(CO3)CCOCC4,SWZRJINETBUKTJ-UHFFFAOYSA-N
|
| 7795 |
+
90FC9D762C664440_4FF5DDD20D39026A_6035_UN,CN1[C@H]4CC[C@@H]1C[C@H](OC2=C(C=CC=C2Cl)N3CCNCC3)C4,HBANZCOXKCBQHW-FICVDOATSA-N
|
| 7796 |
+
976358DB1525BBB8_4F5E9DF8AFF16963_6039_UN,O(CC1CCCC1OC2CCCCO2)CCC3CCOCC3,DCRQNCJTFMDHBE-UHFFFAOYSA-N
|
| 7797 |
+
976358DB1525BBB8_FBF57B28166569D2_6039_UN,O(CC1CCCC1OC2CCCCO2)CCC3CCOCC3,DCRQNCJTFMDHBE-UHFFFAOYSA-N
|
| 7798 |
+
9808518CAC887462_08B8C9680234FF5E_6041_DP,CN(C)C1=C(C=C(C=C1)C#N)NCC2CNC3(CO2)CCC3,GBJWGNHLOXPKRJ-UHFFFAOYSA-N
|
| 7799 |
+
992634237FB964CE_D09A30990A51B0F1_6039_DP,O(CC2(CC1CO1)CCOCC2)CC3CNC4(CO3)CCC4,RCKXRLKAKSNNGU-UHFFFAOYSA-N
|
| 7800 |
+
9C8CF2B94CAB6518_0074B834D3DFEAD6_6034_UN,O=C1N(C(=NC2=C1CCC2)C3=CN=CC=C3)C[C@H]4[C@@H](CCNC4)C5=CC=C(C=C5)F,ZXPDVZGWCDHSFI-ICSRJNTNSA-N
|
| 7801 |
+
9EC56BB448209114_DEA13BF952BC2CC4_6035_UN,NC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(C=C(CN)C=C2)Cl,KECJAOFIJUOSTN-UHFFFAOYSA-N
|
| 7802 |
+
A1529945C54FBDEC_1EF03411DCE51722_7019_UN,O[C@H]4CC[C@H](C=CC2=CC(=C1OCOC1=C2)C3=C(C)[N](N=C3)C)CC4,CXKRIQJNEFXDTG-KOMQPUFPSA-N
|
| 7803 |
+
A2CA2AA8803ED516_8F199E5C72553390_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=CC=C([S](N(CC)CC)(=O)=O)C=C2,YYDCEXPRVRTTMP-UHFFFAOYSA-N
|
| 7804 |
+
A45AAD531AA8D479_DD44C1EC0377FE6E_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)N(C)C4(CCC4)COC,DCCYAELAHMGYOQ-UHFFFAOYSA-N
|
| 7805 |
+
A4DB45FAE0079AE3_8F5C7C96A2364E72_6041_DP,CC1=C(C=CC(=C1F)C#N)NC[C@@H]2CNC[C@H]2C3=CN=C[N]3C,KTRSVAMGRZCIRA-UONOGXRCSA-N
|
| 7806 |
+
AAAC33832621FFE6_50DDC4707D1A07D1_6034_UN,BrC1=CC=C(C=C1)C2NCCC3=C2N=CN3CC4(C5(C4)CCNCC5)C#N,MVOHKOXMSQMQBH-UHFFFAOYSA-N
|
| 7807 |
+
ACBCEAC6D6D5BAE3_7BDC755F02178B29_6041_UN,OB(O)C1=C(C=CC=C1F)NC2=C(C(=C(OC)C=C2C(=O)O)OC)OC,MZYZZWATQGZXQJ-UHFFFAOYSA-N
|
| 7808 |
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