Added 337 molecules from epoch 16746 for P31645
Browse files- P31645_molecules.csv +337 -0
P31645_molecules.csv
CHANGED
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@@ -42126,3 +42126,340 @@ rxn:2:88564:89934,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CC1O2,HCHNBJZJQZLROY-U
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| 42126 |
rxn:2:88564:90550,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12COCC(C1)C2,KCGBLDKTIDEDRN-UHFFFAOYSA-M
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| 42127 |
rxn:2:89318:132988,CCN(CCNC1CCCC(N(C)C)CC1)[C@@H]1CCCN(C)C1,WTCQKDRRMPHNBY-CTWPCTMYSA-N
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| 42128 |
rxn:2:98407:133359,CCCC(NCCN(C)C1CCCCC1N(C)C)C1CCCC1,ZIYMDUKPUYYJTA-UHFFFAOYSA-N
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| 42126 |
rxn:2:88564:90550,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12COCC(C1)C2,KCGBLDKTIDEDRN-UHFFFAOYSA-M
|
| 42127 |
rxn:2:89318:132988,CCN(CCNC1CCCC(N(C)C)CC1)[C@@H]1CCCN(C)C1,WTCQKDRRMPHNBY-CTWPCTMYSA-N
|
| 42128 |
rxn:2:98407:133359,CCCC(NCCN(C)C1CCCCC1N(C)C)C1CCCC1,ZIYMDUKPUYYJTA-UHFFFAOYSA-N
|
| 42129 |
+
01713D057CEF0F57_FFFA41C49829A0F3_6034_UN,CC(Cl)C2=NC1=C(C(=C(S1)C)C)C(=O)N2CC3C(=C3C)[Si](C)(C)C,DPYMNJXOYPOAHC-UHFFFAOYSA-N
|
| 42130 |
+
05F6DB6D27F45F04_463DDC98851E08E7_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NC4=C(C=CC(=C4)[N](=O)=O)F)N5,NJUSTGCSCKUIEW-UHFFFAOYSA-N
|
| 42131 |
+
067DF451D0CDEB8E_9A2C4F66151FF0EE_6039_UN,CC(COCC2=CC(=C1OCOC1=C2)C3CC3)CN4CCOCC4,KLGQGCPBPILYHI-UHFFFAOYSA-N
|
| 42132 |
+
075F922AA9144F6C_AC6A0776A3E5F060_6026_UN,CC(C)C1=CC(=C(C=C1)Cl)[S](=O)(=O)NC(C)C2=C(ON=C2C)C,RLULJXXCMXIPCF-UHFFFAOYSA-N
|
| 42133 |
+
0860E4CE1D176A3F_69B54E72A528C6FF_6004_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)C3=CC4=C(C=C3)CC5=C4C=CC=C5,AAYLMINPTANKDF-UHFFFAOYSA-N
|
| 42134 |
+
08A6E6547E12733C_A29C144DD3A8C86C_7005_UN,[NH]2C1=CC=C5C(=C1N=C2C4=C3CCOCC3=CO4)SC=N5,HJHHESDRWZWGLN-UHFFFAOYSA-N
|
| 42135 |
+
08B4B349E9C659F2_B093E9E6CDCFA6BA_6029_UN,N(CC(O)C(F)F)[S](C1=C(C=CC(=C1)O[Si](C(C)C)(C(C)C)C(C)C)F)(=O)=O,WIBWDYHDSYBQGB-UHFFFAOYSA-N
|
| 42136 |
+
08C6AB5C9DFA8EDF_8733EB90AC964D4C_7019_UN,CC(C)C1=CC(=C(C=C1)C=CC2=C(C)C(=C(C=C2)O)O)C(C)C,SDVPOLAWDNLYQU-UHFFFAOYSA-N
|
| 42137 |
+
0C975D1044AB515E_6FE5D5D8FA7122FB_7005_UN,[NH]2C1=CC=C5C(=C1N=C2C4=C[N]3CCOCC3=C4)SC=N5,UNUUVXDWTXYQBU-UHFFFAOYSA-N
|
| 42138 |
+
0D1B05B420045660_169E0B4E9E2B7DBD_6035_UN,CCOC(=O)C(=C(OC1=NC(=NC(=C1N)N)S)C(C)Cl)C2=NC(=CS2)C,QSILWPMLHRGXCT-UHFFFAOYSA-N
|
| 42139 |
+
0D25EEBD23C582ED_2C76976C481E6EDB_6029_UN,N(C1=CC(=C(C=C1)C2(CC2)C(=O)O)F)[S](C3=C(C=CC(=C3)O[Si](C(C)C)(C(C)C)C(C)C)F)(=O)=O,JUCAFZZGNZWYCK-UHFFFAOYSA-N
|
| 42140 |
+
0D4D26DB319DBFA2_F1BCD2D98A4E9293_6038_UN,N(CC1=CC=C(S1)[S](=O)(=O)N)C(CC2=CC=C(CC)C=C2)=O,VOQMYRVLRZVGQO-UHFFFAOYSA-N
|
| 42141 |
+
0E8549698132ED8C_16184421731FC739_6029_UN,N(C1=C(C=CC=C1)CCC=C)[S](C2=CC(=CC(=C2)[S](=O)(=O)Cl)Cl)(=O)=O,CUBGAMVOCZTLMY-UHFFFAOYSA-N
|
| 42142 |
+
0F5D9B95E8CE297D_EB981BDA6F86B515_7022_DP,C1(=CC(=C(C=C1)C#N)C2CC2)NC(C(C)N3CCNCC3)=S,AUERKIMDMZCSBO-UHFFFAOYSA-N
|
| 42143 |
+
11D7E58E8025FA03_BA4EA2FF9943C70B_6026_UN,CC1=C(OC2=C1C=C(C=C2)Cl)[S](=O)(=O)NC(CC(C)C)B3OC(C(O3)(C)C)(C)C,VZKKLUIKMZJYTM-UHFFFAOYSA-N
|
| 42144 |
+
12B444B4337C877F_8B0C790998972C3D_6041_UN,OC(=O)C2=CC1=C(C(=CC=C1NCCC[N+](C)(C)C)F)[NH]2,LJQLGSMPEQQEQM-UHFFFAOYSA-O
|
| 42145 |
+
12FB199D6071B325_77D4462A1D6768EC_6006_UN,C1(=CC2=C(C=C1)C(=O)CCN2)C3=CC4=C(C=C3)C=C(O)C=C4,IJNHMBYCCMOIIY-UHFFFAOYSA-N
|
| 42146 |
+
13A9183742B83F40_1FDB1E3B079F5252_6026_UN,CC(C)C1=CC(=C(C=C1)Cl)[S](=O)(=O)N3CC(CB2OC(C(C)(O2)C)(C)C)C3,NGDDUDNIDDPPOO-UHFFFAOYSA-N
|
| 42147 |
+
13B4CB02C28B768F_A2A6ECCB52AE28C5_6026_UN,COC1=CC(=C(C(=C1)C)[S](=O)(=O)NC2=C(C=C(C=C2)Cl)CC#N)C,KGYWXAAZBCWFSF-UHFFFAOYSA-N
|
| 42148 |
+
13C4F662C51D4DD2_BD12108C14E76170_6039_UN,O(C2(CC1CO1)CCCC2)CC3CCCC(O3)C4=CC=CC=C4,ADCVIMALICLMDL-UHFFFAOYSA-N
|
| 42149 |
+
16B06641E64D9E51_3CA114AD0DA264A5_6041_UN,C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NC4(C)COC4,BAKHOWNXMHRCKG-UHFFFAOYSA-N
|
| 42150 |
+
17886EA8823C0AE8_39B95A80B07C6258_6041_UN,C3(=NC1=C(CCC2=C1C=CC=C2)S3)NC(C)(C)C4=N[NH]C(=N4)C5=CC=CS5,PNBHURPISREDFS-UHFFFAOYSA-N
|
| 42151 |
+
1A21B72832EDCCF9_C7CFE5A2DA5F6E97_7005_UN,[NH]2C1=CC=C5C(=C1N=C2C4=CC3=C(CCOC3)S4)C=CC=N5,RMYPDPPHIMKGEG-UHFFFAOYSA-N
|
| 42152 |
+
1E70CA71AC81A88F_09CBE98A7ED924C8_6029_UN,N(C1=C(C(=CC=C1)C#N)O)[S](C2=C(C=CC(=C2O)[N](=O)=O)F)(=O)=O,HVSNIXYOKSWNDM-UHFFFAOYSA-N
|
| 42153 |
+
1F8B21DA063C8592_5FA51CD93781C8F2_6026_UN,CC1=C(SC2=C1C(=CC=C2)F)[S](=O)(=O)NC(CC(C)C)B3OC(C(O3)(C)C)(C)C,ABHSAWSOELVORI-UHFFFAOYSA-N
|
| 42154 |
+
2255D1467249FE3F_D397B7FDF7058CC9_6029_UN,N(C1CC2CCC(C1)S2)[S](C3=CC=C(C=C3)CCCC=C)(=O)=O,UPDUIGYGBMZHKJ-UHFFFAOYSA-N
|
| 42155 |
+
22B1E67ACBF8E5B0_AA16E1A4B5A81161_6026_UN,COC1=C(C=C(C(=C1)F)[S](=O)(=O)NC3=C(C2=CSC(=C2)C)N=CC=C3)[N](=O)=O,JBVYQKWDVURJPS-UHFFFAOYSA-N
|
| 42156 |
+
230E18FDDBA6E03F_505515CE8AD9414B_6041_UN,C1(=NC2=C(C=C1)NC(=O)N2)NC5=C4C3=C(CCC3=CC=C4)C=C5,HCUFAJJYSHCNOW-UHFFFAOYSA-N
|
| 42157 |
+
23311B4187CE1F3D_797A5F132D6ABF0F_6041_UN,C1(=CC2=C(C=C1)[NH]N=C2C#N)NCC3(N(C)C)CCC3,DRQCJFCIPSGXFM-UHFFFAOYSA-N
|
| 42158 |
+
23985BEBFF9BF4A3_17B438DE4923DF03_6043_UN,C1(=CC2=C(C=C1)C=C[NH]2)N3[S](=O)(=O)C4=CC=CC5=CC=CC3=C45,BYMUUIBLVMDIGF-UHFFFAOYSA-N
|
| 42159 |
+
2595DB952A95E9B1_EBE261168FEB1670_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)N5CC4=C(C=C(OC)C=C4)OCC5,OZIGNEOTVQGLBA-UHFFFAOYSA-N
|
| 42160 |
+
259F52C121A13F07_D9EA89525A5D680B_6041_UN,F[S](=O)(=O)C1=CC=C(S1)NCC3=CC=C(C2=CC=C(OC)C=C2)S3,AJPGRUZJVNXMJX-UHFFFAOYSA-N
|
| 42161 |
+
25EDF580D39798D3_9533EFCF73376430_6026_UN,FC2=C1C=CC=CC1=CC=C2[S](=O)(=O)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,MEDRACHNEGAKDV-UHFFFAOYSA-N
|
| 42162 |
+
264772243A08835B_8FAF1782B8C399D1_7019_UN,C(CCC1CCCCC1)=CC3=CC(=C2OCOC2=C3)C4CC4,LQMJEWJLASGCMG-UHFFFAOYSA-N
|
| 42163 |
+
264772243A08835B_90E495BCA1AE5728_7019_UN,C(C2=CC(=C1OCOC1=C2)C3CC3)=CCCC4CCCCC4,LQMJEWJLASGCMG-UHFFFAOYSA-N
|
| 42164 |
+
26681EEFA7252AC0_17FFC8F0B6AC8732_6038_UN,N(CC1=CC=C(S1)[S](=O)(=O)N)C(C2=C(C=CC(=C2)C)F)=O,AJZFTPTYKMVOIS-UHFFFAOYSA-N
|
| 42165 |
+
28C8A213427B5FF7_A9CE39CEE87B0879_7019_UN,C(C1=NN=C(O1)C2=CC=CO2)=CC3=C(O)C4=C(C=C3)OCO4,ZYDTZPHRZGSJFP-UHFFFAOYSA-N
|
| 42166 |
+
28E7DFD824224C7B_E396365A4D5B888A_6039_UN,C[C@H](COCC1CC(=NO1)C2CCCCC2)C3=CC4=C(C=C3)OCO4,ZEDNNQOVHWPFOX-XPCCGILXSA-N
|
| 42167 |
+
28FDE45FB407FE98_4ED90AAD4066DC2B_7005_UN,[NH]2C1=CC=C5C(=C1N=C2C4=C3CCCCC3=C[NH]4)SC=N5,YPHQCFDSYTVNDB-UHFFFAOYSA-N
|
| 42168 |
+
29A12EBCD83EE415_086FB1B371EC03F5_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)NCC3=CC(=C(C=C3)[N](=O)=O)F,JDLFMSWRIUYAKP-UHFFFAOYSA-N
|
| 42169 |
+
2A535D20995FBD0D_3BAD25E008FDC368_6004_UN,O=[N](=O)C1=CC4=C(C(=C1)C3=C2[NH]C=CC2=CC=C3)C=N[NH]4,VQPQHBGVTSQAFY-UHFFFAOYSA-N
|
| 42170 |
+
2C0815508832401B_15F4E6F823D8B770_6039_UN,O(C[C@@H]1CCCN1CC2CC2)CC3=CC(=CC4=C3OCOC4)F,WOEZKYPKHUELAF-KRWDZBQOSA-N
|
| 42171 |
+
2C3B0FD5EEF90E7D_C706F9838C364EE4_6041_UN,C1(=C[NH]C(=C1)C(=O)N2CCCC2)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,VDMZTALMJJSUTQ-UHFFFAOYSA-N
|
| 42172 |
+
2EA4B90C510AF5A5_90E8369F6008A2F8_6026_UN,[S](=O)(=O)(C2=CC1=C(C=CC=C1)S2)N4CC3=C(C=C(OC)C=C3)OCC4,UFHTYXRWHQZEBP-UHFFFAOYSA-N
|
| 42173 |
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| 42408 |
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FECF1F419B517B9D_15BB07CB4951D154_6038_UN,N(C1=CC2=C(C=C1)C(=CC=C2)[S](=O)(=O)N)C(=O)C3=CSC(=N3)C4=CC(=C(C=C4)F)F,NDNKAFRVAQTDEI-UHFFFAOYSA-N
|
| 42409 |
+
FF360ECF57579D4E_A0CFE4F8A9010771_6038_UN,N(CC1=CC=C(S1)[S](=O)(=O)N)C(CCC2=C(C=C(C)C=C2)C)=O,RMWHUYKMXMETOB-UHFFFAOYSA-N
|
| 42410 |
+
rxn:1:44987:29569,COc1ccc2c(c1)CCC1C2=CCC2(C)C1CCC2(O)c1cn(CC2Cc3cc(C)ccc3O2)nn1,UATYIALPLFYRCP-UHFFFAOYSA-N
|
| 42411 |
+
rxn:1:62529:29569,COc1ccc2c(c1)CCC1C2=CCC2(C)C1CCC2(O)c1cn([C@@H]2CCOc3c(C)cc(C)cc32)nn1,PYPKGXOVYNPFBF-LRKNBSKASA-N
|
| 42412 |
+
rxn:2:109782:122103,COC1(CCNC(c2cc3c(c(C(C)C)c2)OCCCC3)C2CC2)COC1,MMQVPCAUPKOZPG-UHFFFAOYSA-N
|
| 42413 |
+
rxn:2:115474:155490,COc1ccc2ccccc2c1C(CN1CCCCC1)NCCC1COCC2(CCC2)O1,WUSMZEIDOJGFND-UHFFFAOYSA-N
|
| 42414 |
+
rxn:2:115829:122103,COC1(CCNC(CCC2CCCC2)c2ccc3c(c2)CCC3)COC1,SXCAFWNSNQUWBE-UHFFFAOYSA-N
|
| 42415 |
+
rxn:2:117511:172800,COC(CNC1CCCc2c(C)cc(-c3cccc4c3OCO4)c(C)c21)CC1CCCO1,KUDXLVLAXMRLSV-UHFFFAOYSA-N
|
| 42416 |
+
rxn:2:118784:68379,CC(N[C@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]21)c1cccc(OC2CN3CCC2CC3)c1,NIDIJFMZLICSFU-LJIJBXRSSA-N
|
| 42417 |
+
rxn:2:122183:84711,c1cc(OC2CCN(C3CC3)CC2)c(NC2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cn1,VOHYRVKYZQDAEN-CNHMNRMKSA-N
|
| 42418 |
+
rxn:2:122561:107897,c1cc2c(c(OC3COC3)c1)C(NC1CCCC(c3ccc4c(c3)CCCS4)C1)CCC2,DQTIXVJGJPZKBJ-UHFFFAOYSA-N
|
| 42419 |
+
rxn:2:124247:66045,c1ccc2c(c1)CCN2C1CCC(NC2(C3(c4ccc5c(c4)CCO5)COC3)CC2)CC1,WGMHVZSUBQSPJN-UHFFFAOYSA-N
|
| 42420 |
+
rxn:2:124538:122103,COC1(CCNC(c2ccc3c(c2)CC(C)O3)C2CCCCO2)COC1,NYYPUIVAAGBIKP-UHFFFAOYSA-N
|
| 42421 |
+
rxn:2:124763:71351,CCS(=O)(=O)C(C)C(NC(CC(C)(C)C)c1cc(C)n(C(C)C)c1C)c1cccc(C)c1,TVTNJILRUMNQFR-UHFFFAOYSA-N
|
| 42422 |
+
rxn:2:128583:155490,COc1ccc2ccccc2c1C(CN1CCCCC1)NCCCC1CCCCO1,XVLBLTDHNQPUJG-UHFFFAOYSA-N
|
| 42423 |
+
rxn:2:128730:158837,COc1ccc2oc(-c3cccc4c3C(NCCC3CCCC(OC5CCCCC5)C3)CO4)cc2c1,RASUVPZNKSOWMM-UHFFFAOYSA-N
|
| 42424 |
+
rxn:2:130220:143651,COCOc1ccc(C)cc1-c1cccc2c1CCC2NCC1CCCCC1OCC1CCCCO1,ZADKUDDUBDMXGO-UHFFFAOYSA-N
|
| 42425 |
+
rxn:2:130220:146472,COCOc1ccc(C)cc1-c1ccc2c(c1)OCCC2NCC1CCCCC1OCC1CCCCO1,NGGJZKKFGWPXTR-UHFFFAOYSA-N
|
| 42426 |
+
rxn:2:135573:123707,CSCCC(NC(C)SC(C)(C)C1CCC(C)CC1=O)c1nnco1,OWDBOUWZXBXEOB-UHFFFAOYSA-N
|
| 42427 |
+
rxn:2:139109:172332,CC12CCC3c4ccccc4CCC3C1CCC2Nc1nnc(CC2CCCCC2)o1,JYNNGDZTPCCCPZ-UHFFFAOYSA-N
|
| 42428 |
+
rxn:2:143730:134826,O=S1(=O)CC(NC2CC3CCC(C2)N3c2ccc3c(c2)OCO3)c2cc3c(cc21)CCC3,LKFYISOAZMMGAX-UHFFFAOYSA-N
|
| 42429 |
+
rxn:2:167574:143730,O=S1(=O)CC(NC(c2ccc3ccccc3c2)C23CN4CN(CN(C4)C2)C3)c2cc3c(cc21)CCC3,KHLBOCXQLLAHCS-UHFFFAOYSA-N
|
| 42430 |
+
rxn:2:169220:97404,O=S1(=O)CCC(CNC2c3ccccc3-c3ccc(-c4cccc5c4CCC5)cc32)(N2CCOCC2)CC1,JSLXNOWTVRXJPH-UHFFFAOYSA-N
|
| 42431 |
+
rxn:2:170237:102399,O=S(=O)(C1CCCC1)C1CCC(NC2CCC3CCc4c5ccccc5cc5ccc2c3c45)CC1,PHFISEDNVNIBKK-UHFFFAOYSA-N
|
| 42432 |
+
rxn:2:170237:69013,O=S1(=O)CCC(C2(NC3CCC4CCc5c6ccccc6cc6ccc3c4c56)CCCCC2)C1,NXHNMFQUDZAVBS-UHFFFAOYSA-N
|
| 42433 |
+
rxn:2:170237:84906,O=S1(=O)CCC(N2CCCC(CNC3CCC4CCc5c6ccccc6cc6ccc3c4c56)C2)C1,ZMOOWKIZYGITIP-UHFFFAOYSA-N
|
| 42434 |
+
rxn:2:172253:69013,O=S1(=O)CCC(C2(NC3CCC(c4ccc(-c5ccc6[nH]ccc6c5)cc4)CC3)CCCCC2)C1,AFHOUBHSPVKMOY-UHFFFAOYSA-N
|
| 42435 |
+
rxn:2:66687:77321,CC1CCc2cc3c(cc2C(NCc2ccccc2COC2CCCCC2)C1)OCCCO3,IJMKMOGEBNUCQN-UHFFFAOYSA-N
|
| 42436 |
+
rxn:2:67566:120670,CC1CSc2ccccc2C1NOCC1CCN(CC2CCCO2)CC1,QCAQEMPMIIZXFV-UHFFFAOYSA-N
|
| 42437 |
+
rxn:2:67851:104321,c1cc(NC2CCC(Cc3ccc4c(c3)CCCS4)CC2)ccc1COC1CCCCC1,JVJLMXFZRKTAFM-UHFFFAOYSA-N
|
| 42438 |
+
rxn:2:67851:96356,c1ccc(COC2CCCCC2NC2CCC(Cc3ccc4c(c3)CCCS4)CC2)cc1,CTZTZFDWPFPZIF-UHFFFAOYSA-N
|
| 42439 |
+
rxn:2:68061:124001,CC(CNC1CC2(CSC2)Oc2ccccc21)COC1CCCCCC1,FXLCJYXSZYFUCH-UHFFFAOYSA-N
|
| 42440 |
+
rxn:2:68061:91261,CC(CNC1CC2(COC2)Oc2ccccc21)COC1CCCCCC1,HBEBOJYYABIJJO-UHFFFAOYSA-N
|
| 42441 |
+
rxn:2:68597:158785,COC1CCC2(CC1)CC(NCCC1CC1c1ccc3c4c(cccc14)CC3)CCO2,ANMIZHHPESFUGM-UHFFFAOYSA-N
|
| 42442 |
+
rxn:2:68597:77531,COC1CCC2(CC1)CC(NCCC1c3ccccc3CCN1CC1CC1)CCO2,VGOSXSHCBYCCRZ-UHFFFAOYSA-N
|
| 42443 |
+
rxn:2:68597:88698,COC1CCC2(CC1)CC(NCCC1CCc3cccc(OC(C)C)c31)CCO2,DTKDTYDDIXJPMS-UHFFFAOYSA-N
|
| 42444 |
+
rxn:2:68694:86625,COC(CCNC(c1ccc2c(c1)COC2)C1CCCCO1)c1ccc2c(c1)OCCCO2,VBJDSKQRFYYJBJ-UHFFFAOYSA-N
|
| 42445 |
+
rxn:2:71752:139433,CC1CCCC(OCc2cccc(NC3COCCc4cc5c(cc43)OCCCO5)c2)C1,JLMLELBSPXALHO-UHFFFAOYSA-N
|
| 42446 |
+
rxn:2:72278:122103,COC1(CCNC(CCC2CCCCC2)c2ccc3c(c2)CCC3)COC1,BUZLTZTVGOPHQZ-UHFFFAOYSA-N
|
| 42447 |
+
rxn:2:72278:127434,COC1(CNC(CCC2CCCCC2)c2ccc3c(c2)CCC3)COC1,BOVQCOJHDXULTA-UHFFFAOYSA-N
|
| 42448 |
+
rxn:2:76983:86746,CC1CCc2ccccc2C1NCC1CCC(COC2CCOCC2)O1,UABHXQKNCIGSIJ-UHFFFAOYSA-N
|
| 42449 |
+
rxn:2:79993:169217,COC1(CNC2CCOc3c(-c4ccc(OC5CC5)cc4)cc(C)cc32)CCCC(C)CC1,NFOQGWPQNTUDMR-UHFFFAOYSA-N
|
| 42450 |
+
rxn:2:80088:122211,COC1(CCNC(CC2=NCCO2)c2ccc3c(c2)OCO3)CCCC1,AIPCXALNYRCLPF-UHFFFAOYSA-N
|
| 42451 |
+
rxn:2:82377:130220,CC1COc2ccccc2C1NCC1CCCCC1OCC1CCCCO1,BVTXBOKNQYLJDM-UHFFFAOYSA-N
|
| 42452 |
+
rxn:2:83458:69881,CC(C)CS(=O)(=O)CCNC(C)c1c(C(C)C)cc(C(C)C)cc1C(C)C,HGFZIYIXFHNEOZ-UHFFFAOYSA-N
|
| 42453 |
+
rxn:2:85458:140289,CC1CC2(CCC2NCCN(C)C2CCC(N(C)C)CC2)C1,DKIOKNAPUSCNQQ-UHFFFAOYSA-N
|
| 42454 |
+
rxn:2:86625:89106,COC(CCNC1CCCC2(C1)OCCc1ccccc12)c1ccc2c(c1)OCCCO2,RZXKQJAWBQFNQR-UHFFFAOYSA-N
|
| 42455 |
+
rxn:2:86746:129042,CC1CCCc2ccccc2C1NCC1CCC(COC2CCOCC2)O1,KWDSSUGOSKKHGG-UHFFFAOYSA-N
|
| 42456 |
+
rxn:2:86746:82377,CC1COc2ccccc2C1NCC1CCC(COC2CCOCC2)O1,VXIGDQZADOPUKG-UHFFFAOYSA-N
|
| 42457 |
+
rxn:2:92129:92456,COC(CNC(CCN1CCCCC1)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2,FYWXJLGVYOWHPK-UHFFFAOYSA-N
|
| 42458 |
+
rxn:2:92456:135458,COC(CNC(CN1CCCCCC1)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2,POEPAYHNHAXQIF-UHFFFAOYSA-N
|
| 42459 |
+
rxn:2:92832:171622,Cn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2NCCOCc1ccc2c(c1)CCCS2,WTAKYICYZKUAGX-UHFFFAOYSA-N
|
| 42460 |
+
rxn:2:94905:112783,CC1OCc2ccccc2C1NCC1CCC(COC2CCCCC2)O1,FUXVEPIXVKDZCR-UHFFFAOYSA-N
|
| 42461 |
+
rxn:2:94905:156397,COc1cc2c(c3ccccc13)CCCCC2NCC1CCC(COC2CCCCC2)O1,GMALUYFYGNZLFK-UHFFFAOYSA-N
|
| 42462 |
+
rxn:2:95668:104830,CC1CCCCC1OCC1CCC(CNC2CCc3ccccc3OC2)O1,FMYJVWXEQBWVIW-UHFFFAOYSA-N
|
| 42463 |
+
rxn:2:95668:117762,CC1CCCCC1OCC1CCC(CNC2CCCOc3ccccc32)O1,YODORYIWHHRJRH-UHFFFAOYSA-N
|
| 42464 |
+
rxn:2:95668:161593,COc1cc2c(c3ccccc13)CCC2NCC1CCC(COC2CCCCC2C)O1,JVXQFGQFZAJSSV-UHFFFAOYSA-N
|
| 42465 |
+
rxn:2:97368:158875,COc1cc2c(cc1-c1cccc3c1CCC3)CCC2NCC1CN(CCC2CSC2)CCO1,GUBDJMNLGFQITQ-UHFFFAOYSA-N
|