Added 316 molecules from epoch 16738 for P31645
Browse files- P31645_molecules.csv +316 -0
P31645_molecules.csv
CHANGED
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@@ -40037,3 +40037,319 @@ rxn:2:94627:113704,CN(C)CC#CCNCC1CCCN1C1CCCCC1,UZFIHYIRFJBASI-UHFFFAOYSA-N
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| 40037 |
rxn:2:95162:140601,CCCC(CCC1CCCCC1)N[C@H]1CC[C@@H](N(C)C)C1,GYLSSHMLPOIRSC-JLMCIHFGSA-N
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| 40038 |
rxn:2:95443:123882,CN(C)CCC1CCC(NCC#CCN2CCC2)CC1,XGINXWLQQSOUIP-UHFFFAOYSA-N
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| 40039 |
rxn:2:99124:140418,Cc1nn(CCN(C)C)c(NC2CCC3(CCCCN3C)CC2)c1C1CC1,KBXPUCHWFZPQLP-UHFFFAOYSA-N
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| 40037 |
rxn:2:95162:140601,CCCC(CCC1CCCCC1)N[C@H]1CC[C@@H](N(C)C)C1,GYLSSHMLPOIRSC-JLMCIHFGSA-N
|
| 40038 |
rxn:2:95443:123882,CN(C)CCC1CCC(NCC#CCN2CCC2)CC1,XGINXWLQQSOUIP-UHFFFAOYSA-N
|
| 40039 |
rxn:2:99124:140418,Cc1nn(CCN(C)C)c(NC2CCC3(CCCCN3C)CC2)c1C1CC1,KBXPUCHWFZPQLP-UHFFFAOYSA-N
|
| 40040 |
+
01C0241153CEE1F2_759915C2DDA88CF5_6029_UN,N(C1C2C1C3CCC2C3)[S](C4=CC=CC(=C4)CSC)(=O)=O,FYWCTIXQHLPHNU-UHFFFAOYSA-N
|
| 40041 |
+
040CCA46FB66E7CD_B39A7FB90CDD3F01_6004_UN,CNCC1=C(C=CC(=C1)C2=CC3=C(C=C2)C=CC=C3)[N](=O)=O,BYTGIUUHDSIWIK-UHFFFAOYSA-N
|
| 40042 |
+
043C1DEB23593D04_7ED2EF225C15F0E3_6038_UN,S(C1=CC(=C(C=C1)Br)Cl)C(=O)C4COC2=C(C3=C(C=C2)C=CC=C3)C4,GYBVSDLTHXSXIH-UHFFFAOYSA-N
|
| 40043 |
+
061B8229F0C22A04_2BE063DE0E116F80_6029_DP,N1C3CCC(N1[S](C2=CC(=C(C=C2)I)C(O)=O)(=O)=O)C3,QPBTVTFIFQEVLR-UHFFFAOYSA-N
|
| 40044 |
+
06DB8A99E843F084_5ED519FC446AB6E4_6026_UN,CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)[S](=O)(=O)NC4=C5C(=CC=C4)OCCCO5,LVUKFKQUKBTGNT-UHFFFAOYSA-N
|
| 40045 |
+
095CF3E20CD60DEF_7792CB27A31364BE_6034_UN,BrC1=CC2=C(C=C1)OC(=O)N2CC3(CCNC3)C4=CC(=CC=C4)F,LFNZSZKWEVVLNG-UHFFFAOYSA-N
|
| 40046 |
+
09E310DC66D9B06F_2EE3F218B1DC4369_6043_UN,COC1=CC4=C(C(=C1)N[S](=O)(=O)C2=CC3=C(C=C2)OCCCO3)N=CC=C4,ZZFFJWDLTTVYAE-UHFFFAOYSA-N
|
| 40047 |
+
0CEB25E96BB2C2C4_F53749D2411E6D20_6041_UN,C1(=CC=C(C=C1)N2N=NNC2=S)NCC34CC(COC)(C3)CO4,WJOUPDDAHYIAQD-UHFFFAOYSA-N
|
| 40048 |
+
0D23892D2F44962C_B252D06766586132_7022_UN,C1(=CC=C(C=C1)CCN2CCCCC2)NCC3(CC(OCC)C3)N4CCOCC4,GFWITKWWZKFJDV-UHFFFAOYSA-N
|
| 40049 |
+
0DDF13765B2616BE_ACB2E756AB7B1410_6041_UN,C1(=CC2=C(C=C1)CSCC2=O)NCC3=CC(=CS3)COC,LIOCOMYVXILWEZ-UHFFFAOYSA-N
|
| 40050 |
+
0DFBDF5841AC8C63_2F7A01F05B3D8B6F_6026_UN,CCC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)N(C)C)CC,LZUDCZILUCLJRN-UHFFFAOYSA-N
|
| 40051 |
+
0EC7B354C7B32918_868A95508D3D558C_6035_UN,CC1(C)CCCC1(N)COC2=C(C=C(C=C2)CN3CCNCC3)Cl,SRNSSFHXIXUMDK-UHFFFAOYSA-N
|
| 40052 |
+
0F00C5600883688C_72819ED9BC3DFF00_6039_UN,O(CC=C1CCOCC1)CCC3COC2(CCCC2)O3,ODZRYYDLEAZFFK-UHFFFAOYSA-N
|
| 40053 |
+
0F42F71C78888ED2_2426E1CC42975334_6026_UN,[S](=O)(=O)(C1=C2C(=CC=C1)C=NC=C2)NN4CCN(C3=C(OC)C=CC=C3)CC4,WWMZXHNWKJGPJH-UHFFFAOYSA-N
|
| 40054 |
+
0FFE1275266D04FD_9CD9FBD9171EC377_6029_UN,C1C2CC1N(CC3=C2C=CC=C3)[S](C4=CC(=C(C=C4)O)OC)(=O)=O,MNCLQPXSYLEMEA-UHFFFAOYSA-N
|
| 40055 |
+
105E2407AF47D21C_1FC691A932D1E821_6041_UN,NN4C=NC1=C(C=C(C=C1)NC2=CC3=C(C=C2)OCO3)C4=O,QTPQCYLTJILVFT-UHFFFAOYSA-N
|
| 40056 |
+
105E2407AF47D21C_53C71A2E7C6ACE57_6041_UN,NN4C=NC1=C(C=C(C=C1)NC2=CC3=C(C=C2)OCO3)C4=O,QTPQCYLTJILVFT-UHFFFAOYSA-N
|
| 40057 |
+
147FA375FFC635D8_520E03CF59B81677_6041_DP,NC(=O)NC1=C(C=CC(=C1)NC3CC2CC(CN2)C3)C(=O)O,HVRVEPIJILZJKL-UHFFFAOYSA-N
|
| 40058 |
+
14800C5085E6E348_EEDCD4C9836E7270_6038_UN,CN1C(=O)OC2=C1C=CC(=C2)NC(=O)C5=CC4=C(C=C3OCCOC3=C4)[NH]5,RJVFMZHBEYTLMN-UHFFFAOYSA-N
|
| 40059 |
+
14E49865CB0DA275_4A422098C66F95DE_6038_DP,N(C1=CN=CNC1=S)C(C2=CC=CC3=C2CNCCO3)=O,WGXNYJSSSJUIEY-UHFFFAOYSA-N
|
| 40060 |
+
15E603B1F8323764_24E56E8C09F99CB1_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(OCC)C=C2)OC,YSLLGEMXKSVJHS-UHFFFAOYSA-N
|
| 40061 |
+
15E603B1F8323764_A75E64FCABA91BEA_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(OCC)C=C2)OC,YSLLGEMXKSVJHS-UHFFFAOYSA-N
|
| 40062 |
+
19D27FA07F397E8E_2F7E1A328FD9A8B7_6034_UN,FC1=CC2=C(C(=C1)Cl)N(C=C2)CCN([C@H]3CCN[C@H]3C)C,IZAKCNXMFIZPMZ-NHYWBVRUSA-N
|
| 40063 |
+
1AAA4462DED01996_C47822E89841D159_6029_UN,C1C2CCC(C1)N2[S](C3=C(C(O)=O)C=CC(=C3)F)(=O)=O,VTORGNSLWVWZOH-UHFFFAOYSA-N
|
| 40064 |
+
1BB7CF649A2418BB_DA8A9303350C3D83_6041_UN,CCOCC1=C(C=CC(=C1)[N](=O)=O)NC2=CC(=C(C=C2)OC)COC,COFKIULQYCGOMU-UHFFFAOYSA-N
|
| 40065 |
+
1DD2DD3EF759E6A1_0B34669C12B60644_6041_UN,CC1=C(C(=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)C)C(=O)O,YHIXSGCIIGZKOY-UHFFFAOYSA-N
|
| 40066 |
+
1DFBBC2C1DE2A049_A6A8E13D01BD0E57_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC(C2=C(C=CC(=C2)OC)OC)C,NPBROSDGQZHNJA-UHFFFAOYSA-N
|
| 40067 |
+
1E8FCE45B1E9D086_9D6ABE53CB3AF940_6035_UN,CC1CC(=NO1)COC3=CC2=C(C(C)(C)CCC2(C)C)C=C3,ZXXJQGSZUQDFGD-UHFFFAOYSA-N
|
| 40068 |
+
20A91EB020D2B75A_8390534263B7D3AE_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC4=C(N=C3)C(=CC=C4)F,SNTFIZITMHWZRR-UHFFFAOYSA-N
|
| 40069 |
+
21AA91510F5DD1D0_93A41A2BEC05DAA0_6043_UN,COC1=CC(=C(C=C1)CBr)N[S](C2=C(C=CC(=C2)OC)Cl)(=O)=O,XAVXSGQPRNCBLC-UHFFFAOYSA-N
|
| 40070 |
+
2297DD931108EF51_BD2A9ACC981218F1_6029_DP,N1[C@@H]3CC[C@H]1[C@@H](N[S](C2=C(CC)C=CC=C2F)(=O)=O)C3,MJNBRYMLXKZDLM-WXHSDQCUSA-N
|
| 40071 |
+
2324D6272888C2C7_7250BC323512EDE6_6041_UN,C[Si](C)(C)C1=C(C=CC=C1)NC3(C2=NC(=NO2)COC)CCOCC3,GRYYETCTDJDGDK-UHFFFAOYSA-N
|
| 40072 |
+
23441509EB68C777_81D14AD53291C12E_6041_UN,COC1=C(C=C(C(=C1)C)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)O,IBKCQQUCRNPRPT-UHFFFAOYSA-N
|
| 40073 |
+
23B31F3584FA3147_55A4F9177926FB11_6041_UN,CC1=C(C=C([N](=C1)=O)NC3=CN=C(OC2=CC=C(OC)C=C2)C=C3)[N](=O)=O,HPPQOPCOCVTJPJ-UHFFFAOYSA-N
|
| 40074 |
+
23C008197CD9F372_4FFFDA0C3715B564_6028_UN,CN1CC2CCC(C1)N2[S](C3=C(OC)C=CC=C3Br)(=O)=O,GSKNCEBBSFFMMJ-UHFFFAOYSA-N
|
| 40075 |
+
25D1C132E60E8833_2F282139C36B7443_6028_UN,N(C1=C(C=C(C=C1)C#N)C2CC2)[S](C3=C(OC)C=CC(=C3)Br)(=O)=O,UWCDWARMYQDRJF-UHFFFAOYSA-N
|
| 40076 |
+
2725368B93954A9A_D93594B3D3EF64E3_6038_UN,N(CC1ON=C(C1)C(=O)N)C(=O)C2=CSC(=N2)C3=CC4=C(C=C3)OCO4,VDMPEBBVLFDVKB-UHFFFAOYSA-N
|
| 40077 |
+
278F7D656B6BF29D_5FFA035584821560_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC(=C(OCCCC)C=C2)OC,DMQUIVQDWMCWSW-UHFFFAOYSA-N
|
| 40078 |
+
27C6EA6082B45C20_D7F86F2D96CB3B97_7022_UN,COC1=C(C=C(C(=C1)OC(C2=C(C=CC(=C2)OC)OC)CBr)C3CC3)Cl,YKTJKALDPIVDAX-UHFFFAOYSA-N
|
| 40079 |
+
28C96FEBFE7C2A14_6D9311785BED5310_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N(C)C3=CC4=C(C=C3)C=NC=C4,CUNNOODWILIWOF-UHFFFAOYSA-N
|
| 40080 |
+
2A1EFF7D764F1770_AD8EFEA0D54B58DB_6041_UN,C1(=CC=C(C=C1)CN2CCOCC2)NCC3(CC(OCC)C3)N4CCOCC4,NHPQMLYADQWOPF-UHFFFAOYSA-N
|
| 40081 |
+
2AEC5D0233324048_E1FE98493BEFA570_7022_UN,CC1=C(C=C(C=C1)NCC3=C2CCCC2=CC=C3)[N](=O)=O,JJZDISZRWOFLEK-UHFFFAOYSA-N
|
| 40082 |
+
2C29E720B4170BD5_6F78AF81420B05A3_6039_UN,O(CC12CCCCN1CCCC2)CC3=CC=C(C=C3)CN4CCOCC4,RGWDPUQIIBKQAJ-UHFFFAOYSA-N
|
| 40083 |
+
2CDC3110E14F1707_EE5D2184779A27CE_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC=C2Br)NC34CC(C3)(F)C4,WTRMQYYOTOMAIJ-UHFFFAOYSA-N
|
| 40084 |
+
2CE7135A4ED725FB_FF5910BA421D142E_6031_DP,O(C(=O)C(=CC1=CN=C[NH]1)F)CC34OC2(CNC2)C(C3)(N)C4,DYDUCLOCSBBBJU-UHFFFAOYSA-N
|
| 40085 |
+
2FC884AE5C4464E8_F83E760FDF67E366_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3=C(OC)C=CN=C3,QPIURHJBLSIEPU-UHFFFAOYSA-N
|
| 40086 |
+
30503439AFD44FDC_A040DDB890E03C43_6041_UN,CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)NC5=C(C=C4OCCOC4=C5)C(=O)O,AZDJUHABOJXKIP-UHFFFAOYSA-N
|
| 40087 |
+
330AD9FAEB0F8996_A475B6B6B3E7E468_6039_UN,CN3CCC(C)(COCCCOC1=CC2=C(C=C1)OCO2)CC3,YKBXCVDKZAQLCF-UHFFFAOYSA-N
|
| 40088 |
+
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|
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E0EE1630BF046971_4D42E6869E5BE469_6038_UN,N(C1=CC2=C(N=C1)OCC2)C(C4=CC3=C(C=C[N]3C)C=C4)=O,IOLUNWVVBHDNEZ-UHFFFAOYSA-N
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|
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|
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E1A00E7F8D95FF25_8E042D5DE158664C_6038_DP,NC(=O)C1=CC(=C[NH]1)NC(C3=C2[N](CCNC2)C=C3)=O,WEJKOMHAGZEPOX-UHFFFAOYSA-N
|
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E36B2E72DA43B9AC_1F4D331F594B7246_6041_UN,NC(=O)NC1=CC(=C(C=C1)F)NC2=CN=C(C=C2)N3CCOCC3,IZXWOKRCLJQGCK-UHFFFAOYSA-N
|
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E3DC40F400D9AA13_F985227BCC6FCCD6_6041_DP,CC1=C(C=CC=C1NC2=CC3=C(C=C2)CNCCO3)[N](=O)=O,KHEXRJKMKADUIL-UHFFFAOYSA-N
|
| 40299 |
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E4E7D9181C698E8C_7CE52BB6D72B620B_6036_UN,C(C1=CC2=C(C=C1)OCC2)N3[S](=O)(=O)C4=C(NC3)C=CC=C4,STNJVSMCSUFBQC-UHFFFAOYSA-N
|
| 40300 |
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E5E65339C597AB08_4F38D0B8AADDF200_6035_UN,CC1(CNCCNC1)OC2=C(C=C(OCC)C=C2)CC=C,ZRPYIQYMGSDOSS-UHFFFAOYSA-N
|
| 40301 |
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E6D959192096065C_1D19A380DA55CD70_6034_UN,ClC1=CC2=C(C(=C1)Br)N(C=C2)CCN([C@H]3CCN[C@H]3C)C,JVWGSDKSQOXHLW-NHYWBVRUSA-N
|
| 40302 |
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E7C30A9CBB60AF62_18CEF961EC455C95_6029_DP,N1CC2CC1CC2N[S](C3=C(C(=CC(=C3)F)F)I)(=O)=O,QKDCEZLXATVYLM-UHFFFAOYSA-N
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| 40303 |
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E7C41AD868B121FD_F4599639AEDE8B6D_6031_DP,O(C(=O)C1=C2C(=CC=C1)CNCCO2)CC3=CC4=C(C=C3)CNCC4,SRTMJBRRNMMBBO-UHFFFAOYSA-N
|
| 40304 |
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E7E616586E8541D1_66A7F97508C2D0D8_6038_UN,S(C1=CC(=C(C=C1)Cl)Br)C(=O)C4COC2=C(C3=C(C=C2)C=CC=C3)C4,XNDLLKTUKBKKHR-UHFFFAOYSA-N
|
| 40305 |
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E7E90D350DFA7E27_618D3DF9AD4D163F_6038_UN,N(CC1=CN=C(S1)[N]2N=CC=C2)C(C3=C([S](N)(=O)=O)C=CS3)=O,GLAIZZTVWFYXOY-UHFFFAOYSA-N
|
| 40306 |
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E88C74A24C3007FE_F28501ACD703E091_6026_UN,CC1=C(C=CC(=C1F)[S](=O)(=O)NC2C3CC(C2)C4CC34)Br,CLGPKMUUQDDSDX-UHFFFAOYSA-N
|
| 40307 |
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E8EA74C2994E7954_9214B88C97532944_7019_UN,OCC3(C=CC1=C[N](C)C2=C1C=C(C=C2)F)CN(C3)C4CC4,YINHDUKLUBRKGB-UHFFFAOYSA-N
|
| 40308 |
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E94FE95594BF9686_34E9AA306997D058_2267_UN,C(#CCN2CC1CC1C2)C3=C(C=C(CC(C)C)C=C3)F,RVUSVJNEWPXRLK-UHFFFAOYSA-N
|
| 40309 |
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E9ADEB970133616F_3173952CC4187538_6039_UN,O(C(C1CC1)C2CCC2)CC3CCC(O3)C4=CC=CC=C4,BGYOXRJQFKCDSY-UHFFFAOYSA-N
|
| 40310 |
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E9D8BD3393B6DE94_1ACDB86DDB5E4041_6039_UN,O(CC1CC(=NO1)C2CC2)CC5CC3(CC4(C3)OCCO4)CO5,HWNCPLVPGPSAQM-UHFFFAOYSA-N
|
| 40311 |
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EC74E2E008D33269_B067EE97FDBBA342_6041_UN,C1(=CC2=C(C=C1)OCCCC2=O)NC3=C(N(C)C)C=NC=C3,ZBTZMSMBCBJCET-UHFFFAOYSA-N
|
| 40312 |
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ECBA7F78CBD19A15_20D7CF2D394FB0E4_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)NC3=C(C=CC(=C3)OC)C4CC4,FGEVHFUSDMAWLC-UHFFFAOYSA-N
|
| 40313 |
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ECF4F72CD64C929D_2601C241D933FB78_7022_UN,C1(=CN=C(C=C1)[N](=O)=O)NC3=C(C=C(OC2=CC=CC(=C2)OC)C=C3)C,NAUIGWVOYIQPHF-UHFFFAOYSA-N
|
| 40314 |
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EDCC8168787E4403_51159745C9377152_6031_UN,O(C(=O)CN1C2CCC(C1)C2)CCNC3=NN=C(C=C3)Cl,ROANRYUYFVVMOQ-UHFFFAOYSA-N
|
| 40315 |
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EE7C3B47EFC851C4_592262932763C242_6029_UN,C1C3CC(N1[S](C2=C(F)C=C(C(=C2)CBr)F)(=O)=O)C=C3,JSNWHTVVSLTGDY-UHFFFAOYSA-N
|
| 40316 |
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F03AF57D501B0B76_A2DDDCD77846C608_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCC3=NO[C@@H]4CCC[C@H]34,LHQXACUENZMUBB-UHOFOFEASA-N
|
| 40317 |
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F1AB719218B12E21_E96746E7E63C0728_6029_UN,C1C3CC4CC(N1[S](C2=C(C=CC(=C2)F)F)(=O)=O)C3C4,XGNCQCHFMUTYFT-UHFFFAOYSA-N
|
| 40318 |
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F51120A4FAC75EE8_AB9A485746695C41_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=C(C=C(C(OC)=O)C=C2)C,QEHAGRQPPRWXTB-UHFFFAOYSA-N
|
| 40319 |
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F58D16800464ACF8_4B94F7898BD9ED2A_6026_UN,[S](=O)(=O)(C2=C(C=C1OCCOC1=C2)Br)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,KGXFEKOAWLDHPY-UHFFFAOYSA-N
|
| 40320 |
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F8B2553BF359AB3C_9F20DA7E5DA59F12_6041_DP,N4CCOC1=C(C=C(C=C1NC2=CC3=C(C=C2)N=CC=C3)C(=O)O)C4,RHYBDOAXJGGZBU-UHFFFAOYSA-N
|
| 40321 |
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FA119A3CC52AE698_57A583BBFE984932_6041_UN,C1(=NC=CC(=C1)N2CCOCC2)NC3=CC=CC(=C3)[S](N(C)C)(=O)=O,PHIYZRQASIDNCO-UHFFFAOYSA-N
|
| 40322 |
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FA82E03E61608246_34ED1355AF64DF95_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)N(C)C3=CC4=C(C=C3)C5=C(O4)C=CC=C5,UVMIWGISWJFSGM-UHFFFAOYSA-N
|
| 40323 |
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FB1EEEB6E57C16F6_C3EF0B7F127AE01D_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCCN3C(C)CCC3,CJDPMAUHKNZJRX-WMCAAGNKSA-N
|
| 40324 |
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FB305A248D09E866_730776CE41016208_6041_UN,C1(=C(C=CC=C1)C=C)NCC2(CC(OCC)C2)N3CCOCC3,MREMCWDHRUUYIL-UHFFFAOYSA-N
|
| 40325 |
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FB4D8B7CF421F09C_76962BB66CE3C352_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=C(OC)C=CC4=C3C=CC=N4,DFOZQPBNWGZIQC-UHFFFAOYSA-N
|
| 40326 |
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FD5E96F0D6D8ADA7_0BDA5447292B1A85_6043_UN,COC1=CC(=C(C=C1)CBr)N[S](C3=CC2=C(C=CC(=C2)OC)CC3)(=O)=O,OIYLXVALZJKBOF-UHFFFAOYSA-N
|
| 40327 |
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FDBFE6E83946F551_C4F9EBA4154AE483_6038_DP,N(C1=C[S](=O)(=O)C2=C1C=CC=C2)C(C4=CC3=C(OCCNC3)C=C4)=O,NZOQCWYXGGHLCP-UHFFFAOYSA-N
|
| 40328 |
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FDEFC6C0A6EE9B53_76822FCE80F984DA_6029_UN,N(C1C2CC(C1)C3CC23)[S](C4=C(C=CC(=C4)O)F)(=O)=O,JDADSSMJGBWLAC-UHFFFAOYSA-N
|
| 40329 |
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FE5ACB600E296C0B_F1D1CBC8C1FF2B47_6035_DP,OC4CC(COC1=CC3=C(C=C1)OC2(CCCC2)O3)C4,GJPHCNSAVCRVFC-UHFFFAOYSA-N
|
| 40330 |
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rxn:1:61916:11743,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(Cc5cccc(F)c5)nn4)CC[C@]3(C)C1CC2,UPWOAICSTHTWAJ-SMQRJIQZSA-N
|
| 40331 |
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rxn:1:61916:3022,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(Cc5cc(Br)ccc5Cl)nn4)CC[C@]3(C)C1CC2,HBXOZMCAFSFVQV-AHMQYAQTSA-N
|
| 40332 |
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rxn:1:61916:3060,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(Cc5ccc(Br)cc5Cl)nn4)CC[C@]3(C)C1CC2,MYEACXLFHXWOLE-AHMQYAQTSA-N
|
| 40333 |
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rxn:1:61916:3131,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(Cc5cc(Cl)ccc5Br)nn4)CC[C@]3(C)C1CC2,WOYNGXDVEJNQND-AHMQYAQTSA-N
|
| 40334 |
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rxn:1:61916:3163,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(Cc5ccc(F)c(F)c5)nn4)CC[C@]3(C)C1CC2,SCLNASXFRVFFAG-KTQDOPGBSA-N
|
| 40335 |
+
rxn:1:61916:8823,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(Cc5cccc(Cl)c5)nn4)CC[C@]3(C)C1CC2,HNKHZTUVCZAXSG-SMQRJIQZSA-N
|
| 40336 |
+
rxn:2:105048:91311,Cc1cc(C)c(CN2CC[C@H](NC3CCC4C(F)(F)C4(C)C3)C2)cc1C,VRPBWNDULCEUGY-SAOGTBAESA-N
|
| 40337 |
+
rxn:2:105977:139365,CC1CCC(OCc2ccc(CNC3CCN4CCOCC4C3)cc2)CC1,ZAYPJNYKFGPCEC-UHFFFAOYSA-N
|
| 40338 |
+
rxn:2:109191:105977,CC1CCC(OCc2ccc(CNC3CCCN4CCCC4C3)cc2)CC1,XQSITPVOGWENLU-UHFFFAOYSA-N
|
| 40339 |
+
rxn:2:119839:124796,Cc1ccc(C)c(CN2CCC(NCC34CCC3C4(F)F)C(C)(C)C2)c1,HVGRABSNWDWMAB-UHFFFAOYSA-N
|
| 40340 |
+
rxn:2:66687:109156,CC1CCc2cc3c(cc2C(NCCOC2CCCCC2)C1)OCCCO3,JOASISFKMJMMST-UHFFFAOYSA-N
|
| 40341 |
+
rxn:2:66687:70931,CC1CCc2cc3c(cc2C(NCCOC2CCCC2)C1)OCCCO3,XUZFRLMPUCWHFQ-UHFFFAOYSA-N
|
| 40342 |
+
rxn:2:66687:89936,CC1CCc2cc3c(cc2C(NCCOC2CCOCC2)C1)OCCCO3,KMHHEGRTKQUIFY-UHFFFAOYSA-N
|
| 40343 |
+
rxn:2:67804:105977,CC1CCC(OCc2ccc(CNC3CCN4CCCC4C3)cc2)CC1,ZKZMHKUYHQPHQI-UHFFFAOYSA-N
|
| 40344 |
+
rxn:2:68409:139433,CC1CCCC(OCc2cccc(NC3CC[Si]4(CCCC4)CC3)c2)C1,GNEGLJSRRFBJDD-UHFFFAOYSA-N
|
| 40345 |
+
rxn:2:70174:105977,CC1CCC(OCc2ccc(CNC3CCN4CCCCC34)cc2)CC1,XHDYULQFMBAILL-UHFFFAOYSA-N
|
| 40346 |
+
rxn:2:70931:66687,CC1CCc2cc3c(cc2C(NCCOC2CCCC2)C1)OCCCO3,XUZFRLMPUCWHFQ-UHFFFAOYSA-N
|
| 40347 |
+
rxn:2:80886:128472,Cc1cc(C)c(C(F)(F)C(C)(C)NC2CC3CC4(CC4)CC3C2)c(C)c1,TWJGSLRABPOMLM-UHFFFAOYSA-N
|
| 40348 |
+
rxn:2:86514:107982,Cc1ccc(CN2CCC(CNC3CCCC4C3C4(F)F)C(C)(C)C2)cc1,AUERVYDCTXXICJ-UHFFFAOYSA-N
|
| 40349 |
+
rxn:2:88126:135910,CC1CCCC(OCc2cccc(CNC3CCC4(CCS4)CC3)c2)C1,PVNFPGLXURWNGF-UHFFFAOYSA-N
|
| 40350 |
+
rxn:2:88365:126815,CC1CCCCC1N(C)CCCNC1CCOC12CCCC2,OEZXVEUDTWPBTB-UHFFFAOYSA-N
|
| 40351 |
+
rxn:2:91311:105048,Cc1cc(C)c(CN2CC[C@H](NC3CCC4C(F)(F)C4(C)C3)C2)cc1C,VRPBWNDULCEUGY-SAOGTBAESA-N
|
| 40352 |
+
rxn:2:92192:124110,CC1CCCCC1OCc1cccc(CNC2CCSC3(COC3)C2)c1,GZRDICZBLUMUEO-UHFFFAOYSA-N
|
| 40353 |
+
rxn:2:92192:139365,CC1CCCCC1OCc1cccc(CNC2CCN3CCOCC3C2)c1,ARBSGWXGRMYQDI-UHFFFAOYSA-N
|
| 40354 |
+
rxn:2:98389:79590,CC1CN(CCNC2CCCCCN3CCCCC23)CCN1C,MTEVBUZYCRCOQT-UHFFFAOYSA-N
|
| 40355 |
+
rxn:2:99530:110926,CCOc1ccc2c(c1)C(NCC(c1ccc3c(c1)OCCCO3)C1COC1)CCCC2,ZWHINVCJWMEHPL-UHFFFAOYSA-N
|