Added 199 molecules from epoch 17307 for Q4QQW4

Q4QQW4_molecules.csv

@@ -35314,3 +35314,202 @@ rxn:3:8:59852:124815,O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3
 rxn:3:8:59852:152314,O=C(Nc1ccc2c3c(cccc13)CS(=O)(=O)C2)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc(N5CCCC5)nn4)nn3)C2)CCO1,DWYIJVOOEOXVBB-MDQZGBPDSA-N
 rxn:3:9248:59842:152314,O=C(Nc1ccc2c3c(cccc13)CS(=O)(=O)C2)[C@H]1CC=C[C@H](n2cc(C(CN3CCCCC3)N3CCCCC3)nn2)C1,YWMIEMRNGQTKKD-YXWJGHJBSA-N
 rxn:3:9:59852:152314,O=C(Nc1ccc2c3c(cccc13)CS(=O)(=O)C2)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc(N5CCCCC5)nn4)nn3)C2)CCO1,NLZFAFSCWNFSRQ-IAGZEPQKSA-N
+rxn:2:100605:156075,CCOc1ccc2ccccc2c1C(CN1CCOCC1)NC1(c2ncc(C3CCN(C)CC3)[nH]2)CC1,ORBJXPRYHNZYOD-UHFFFAOYSA-N
+rxn:2:100843:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2c(C3CCN(C)CC3)nc3n2CCCC3)cn1,QNCUWTDXJKBSPE-UHFFFAOYSA-N
+rxn:2:100949:109800,CCC(C(NC1CN(c2cc(C)ccc2OC)CCC1(C)C)c1ccccc1)N1CCCOCC1,QNIPIBRNGVRHQH-UHFFFAOYSA-N
+rxn:2:101149:147809,CCCC[C@]1(NC(c2ccccn2)c2ccccc2OCOC)CC[C@H](C(C)(C)C)CC1,UIRVGEJWPORCBG-PPJMXFFBSA-N
+rxn:2:101404:157599,COc1ccc2c(c1)C(NCCCS(=O)(=O)[O-])CC1(CCS(=O)(=O)CC1)O2,XQKDHINSAZZBAH-UHFFFAOYSA-M
+rxn:2:101695:126170,CCCC(C(Nc1cc2c(cc1CC)CCN(C)C2)c1ccc2c(c1)CCC2)N1CCCC1,YUYOAQDCSXBART-UHFFFAOYSA-N
+rxn:2:101695:171582,CCCC(C(Nc1cc2c(cc1CC)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,RGHABYNNEUHCQN-UHFFFAOYSA-N
+rxn:2:102007:143973,Cc1cc(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc(C)c1N1CCN(C)CC1,DUKGZQOAPKNADO-UHFFFAOYSA-N
+rxn:2:102308:119356,CCOc1cc(NC(C)c2cnccc2OCC2(C)CCC2)cnc1N1CCCC(C)C1,PAKPMYVEPVCSDD-UHFFFAOYSA-N
+rxn:2:103029:143973,CN1CCN(Cc2ccc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)CC1,QMPDOJHYGNNKJB-UHFFFAOYSA-N
+rxn:2:103840:169450,CCC(C)c1ccccc1-c1cnn(C2CCC(Nc3ccc(CCN4CCCC4)cc3OC)CC2)c1,RGGKNHNSUOUXKE-UHFFFAOYSA-N
+rxn:2:105477:139721,CC(C)CCC(NC(C)Cc1ncn2c1CC(N(C)C)CC2)C(C)C,QHJCPMMUAAOXBV-UHFFFAOYSA-N
+rxn:2:105800:149239,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCOC3)C2(F)F)c(C)c1,LZZYNVSUTKEJPO-UHFFFAOYSA-N
+rxn:2:106143:171798,COCCN1CCC(CNC(c2cccc(-c3ccc4c(c3)OCO4)c2)C(C)(C)C)CC1,ZYYHDRJBIYOCCT-UHFFFAOYSA-N
+rxn:2:106660:143973,CC(C)N1CCN(c2cc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ncn2)CC1,KKJDHAMVCUVWHE-UHFFFAOYSA-N
+rxn:2:106953:172051,Cc1ccc(C(NC(C2CCCCC2)C2CCCCC2)c2ccc(C(C)(C)C)cc2)cc1C,LSXHQKKIPPOWPZ-UHFFFAOYSA-N
+rxn:2:108479:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1nccc(N2CCC(N(C)C)CC2)n1,GCMZMQIRANYJQX-UHFFFAOYSA-N
+rxn:2:108716:114498,CCCCOc1ncc(C)cc1NC(CC)CN1CCC(N(C)C)CC1,QPPYKZWMEJRDRG-UHFFFAOYSA-N
+rxn:2:109523:115428,COC1C(C)C(NC2CCCC2c2ccc(C(C)(C)C)cc2)C12CCC2,PYQPVHNPZAOJFU-UHFFFAOYSA-N
+rxn:2:109877:143973,CN1CCC(COc2cc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ccn2)CC1,FYHVXAAQIWPVGE-UHFFFAOYSA-N
+rxn:2:110151:114498,CCC(CN1CCC(N(C)C)CC1)Nc1c(C)nc(N2CCN(C)CC2)nc1C,KQFWUNPXZRGNOV-UHFFFAOYSA-N
+rxn:2:111099:126600,Cc1ccc(C(C)NCc2cn(CCN3CCCN(C)CC3)nn2)c(OS(=O)(=O)F)c1,WSYLVBSZVHIIEI-UHFFFAOYSA-N
+rxn:2:111431:84558,CCCN1Cc2ccc(C(C)NCC3(S(=O)(=O)CC)CCCC3)cc2C1,DHNSYXSXXXQCSW-UHFFFAOYSA-N
+rxn:2:111610:124420,CCN(CC(NC1(COS(=O)(=O)[O-])CCCC1)c1cccs1)C1CC1,HGTBALVYRLYIPV-UHFFFAOYSA-M
+rxn:2:111645:148780,CCN1CCN(c2ccc(NC(C)c3ncc(-c4ccccc4CN4CCOCC4)cn3)cc2OC)CC1,MGGOURIQBJTDGR-UHFFFAOYSA-N
+rxn:2:112001:73038,CCC(NCC(c1cccnc1)N1CCC(OC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,VOBNGVDTGFNUPM-UHFFFAOYSA-N
+rxn:2:112001:79723,CCC(NCC(c1cccnc1)N1CCC(OC)CC1)c1ccc(N2CCN(CC)CC2)nc1C,AWBMANGCNFIKHM-UHFFFAOYSA-N
+rxn:2:112174:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1,KPAJBIRUNPHUIE-UHFFFAOYSA-N
+rxn:2:112507:145726,CCc1nc2ccc(-c3ccccc3C(C)NCCN3CCC4(CC3)CC(OC)CCO4)cc2[nH]1,YYVNXYOTEVYPMQ-UHFFFAOYSA-N
+rxn:2:112703:161239,CCOC1(CNC(CSc2n[nH]c(=O)[nH]c2=O)c2cccc(OC)c2)CCS(=O)(=O)CC1,IKMYOOWHAWGLDE-UHFFFAOYSA-N
+rxn:2:113238:144460,CCC(NC1(c2nc(C(C)C)cc(=O)[nH]2)CCCCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,ASRGLVIYDMLJAY-UHFFFAOYSA-N
+rxn:2:113376:136383,CCCCS(=O)(=O)c1ccccc1NC(CCC)C1CCCN1C1CC1,KTIFTWVNTWPOCO-UHFFFAOYSA-N
+rxn:2:113378:134989,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccc(S(=O)(=O)F)c1,FMPITRNZGUOGPO-UHFFFAOYSA-N
+rxn:2:113378:167684,COc1ccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccc3c(c2)OCO3)cc1,ORSLAGXMDRPQPA-UHFFFAOYSA-N
+rxn:2:113632:143973,CN1CCN(c2cc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc(C3CC3)n2)CC1,UTAWGDZSMKGJSZ-UHFFFAOYSA-N
+rxn:2:113766:133491,CCOc1cc2c(cc1NC(c1ccccc1)C(C)N1CCC(CC)CC1)CN(C)CC2,MTNNPXDPKPSIMN-UHFFFAOYSA-N
+rxn:2:113766:171582,CCCC(C(Nc1cc2c(cc1OCC)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,KIBCYHJAWVEGBX-UHFFFAOYSA-N
+rxn:2:113883:81090,CCCN1CCN(c2ccc(NC(C)c3ccc(N4CCN(C)CC4)s3)cc2C)CC1,WDRMCKCOZIYZQM-UHFFFAOYSA-N
+rxn:2:113889:137038,CC1(C)Cc2ccc(C(C)(C)C)cc2C(N[C@@H]2CCC[C@H](C3CC3)C2)C1,RPFPKUKZIQFMSZ-ZBUVYOTDSA-N
+rxn:2:113967:123308,C=C=Cc1ccc(C(NCC2(OC)CCC(C)(C)C2)C(C)C2CC2)cc1,NTGJMMJDPSDXMC-UHFFFAOYSA-N
+rxn:2:114381:75288,CCC(NC1CCN(c2ccc3c(c2)CCC3)CC1)C1CCN(c2ccc(OC)cc2)C1,LWCVFZUQCGVWDC-UHFFFAOYSA-N
+rxn:2:114513:65817,CCC(NC1CC2(CCCC2)Oc2cc(C)ccc21)C1CCN(c2ccccc2OC)C1,HCXNEXRAWNYYBY-UHFFFAOYSA-N
+rxn:2:115504:130197,CCC(Nc1cc2c(cc1N1CCN(C)CC1)OCO2)c1ccc(N2CCN(C)CC2)nc1C,AADILZFZAXXLEC-UHFFFAOYSA-N
+rxn:2:115807:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cccnc1N1CCC(C(C)(F)F)CC1,XTYJXIJJCZPSBP-UHFFFAOYSA-N
+rxn:2:115952:152258,CCC(Nc1ccc(N2CCC(C)(COC)CC2)nc1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,ANTYZYQLMXOEPB-UHFFFAOYSA-N
+rxn:2:117066:120197,CC(NCC1(C(C2CCOCC2)N(C)C)COC1)c1ccc(OS(=O)(=O)[O-])cc1,XNUUWLMYKZHIHD-UHFFFAOYSA-M
+rxn:2:117066:140178,CC(NCC1(C2CCS(=O)(=O)C2)CCC1)c1ccc(OS(=O)(=O)[O-])cc1,HLEZENJJECUNGJ-UHFFFAOYSA-M
+rxn:2:118257:142719,CCn1c2c(cc(NC(C)c3c(N4CCN(C)CC4)[nH]c4c(C)ccc(C)c34)c1=O)CN(C)CC2,YNWJCFCBPKQEJK-UHFFFAOYSA-N
+rxn:2:118257:143955,CCn1c2c(cc(NC(C)c3c(N4CCN(C)CC4)[nH]c4cc(C)cc(C)c34)c1=O)CN(C)CC2,CTXLCKYPYZMRNE-UHFFFAOYSA-N
+rxn:2:120273:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1ccc(N2CCN(CCN(C)C)CC2)cc1,AMRXLZFDMBTOTQ-UHFFFAOYSA-N
+rxn:2:120506:78392,CCCCCn1nc(C)c(NC2CCC(N(C)CCOC)CC2)c1C,BHQKIFREOSVNKY-UHFFFAOYSA-N
+rxn:2:121050:164299,CC(NC1(CN2CCS(=O)(=O)CC2)CCCCC1)c1csc(-c2ccc(N3CCOCC3)nc2)c1,PPNWHLGWGCJENE-UHFFFAOYSA-N
+rxn:2:122613:128555,CCCC(NCc1ccc(OC)c(CN2CCOCC2)c1)C1CCN(c2cnccn2)CC1,XBGQYXBBTWSZTJ-UHFFFAOYSA-N
+rxn:2:122904:143973,Cc1c(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cnn1C1CCS(=O)(=O)CC1,TXSRGFRUTXKAGN-UHFFFAOYSA-N
+rxn:2:123036:122881,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ccccc1OCC1CCCN(C)C1,MZJFPVSVOSHEBR-UHFFFAOYSA-N
+rxn:2:123036:143099,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(CC)c1cnc(N2CCc3ccccc3C2)cc1C,FVGHYKRPGGJAPY-UHFFFAOYSA-N
+rxn:2:123036:146699,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(CC)c1cccc(-c2ccc(N3CCCC3)nc2)c1,AILSRHQYAZGUGE-UHFFFAOYSA-N
+rxn:2:123036:163136,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ccccc1-c1cnc(N2CCOCC2)nc1,PUCFSFRRRSXNHP-UHFFFAOYSA-N
+rxn:2:123036:164299,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1csc(-c2ccc(N3CCOCC3)nc2)c1,AFYGNLXULYDHDQ-UHFFFAOYSA-N
+rxn:2:123036:172373,CCCC(C(Nc1ccc(N2CCC(C)(C)CC2)nc1OCC)c1ccc2ccccc2c1)N1CCCC1,AFOCZWNXBPVMCR-UHFFFAOYSA-N
+rxn:2:123418:168561,CC(NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1OC(C)C(C)(C)C,RESAVGDEQYXDJS-UHFFFAOYSA-N
+rxn:2:123907:140239,CC(NC1CCCCCCCCC1)c1ccc(C(C)(C)C)cc1C(C)(C)C,WMPFGCNVWIIEDD-UHFFFAOYSA-N
+rxn:2:124727:172373,CCCC(C(Nc1c(C(C)C)c2c([nH]c1=O)CCN(C)C2)c1ccc2ccccc2c1)N1CCCC1,XQKPMYYYIHFBIW-UHFFFAOYSA-N
+rxn:2:124978:140837,CCCC(CCC1CCCC1)NC1CCCCCC1CN(C)CC(C)(C)C,MBHUWPFTYCNLLZ-UHFFFAOYSA-N
+rxn:2:124978:88214,CCCC1CCC(C2CCC(NC3CCCCCC3CN(C)CC(C)(C)C)CC2)CC1,VBZYYXDDGRGLPJ-UHFFFAOYSA-N
+rxn:2:125295:130348,CC12CN3CN(C1)CC(c1cccs1)(C3)C2NC1CC(CS(=O)(=O)F)C1,JSZNJWNCDIMMGZ-UHFFFAOYSA-N
+rxn:2:126188:150450,COC1CC(C)(C)CC(C)(CNC(c2ccc(C)cc2)c2ccc(CN3CCCC3)cc2)C1,QWYLLMNVZUOOPX-UHFFFAOYSA-N
+rxn:2:126757:152317,CC(CN1CCN(Cc2ccncc2)CC1)NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,GUBJANMFADGOSM-UHFFFAOYSA-N
+rxn:2:127151:171582,CCCC(C(NC1CCCc2cc(OC(C)C)ccc21)c1ccc2c(c1)CCCC2)N1CCCC1,GMVICEFOOYLABN-UHFFFAOYSA-N
+rxn:2:127443:136378,CN1CCC(c2cccc(NC3CCN(CCOS(C)(=O)=O)CC3)c2)CC1,XUCMTGRVPMEOPK-UHFFFAOYSA-N
+rxn:2:128221:132988,CN(C)C1CCCC(NC2CCCN(C(C)(C)C)C2)CC1,LFICGVKZUJJAID-UHFFFAOYSA-N
+rxn:2:128748:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(N2CCN(C)CC2)cc1OCCC,KJXPGIPQFMKISV-UHFFFAOYSA-N
+rxn:2:128765:98580,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1cc(C2CC2)n(C)n1,VTMALOPXPSNONW-UHFFFAOYSA-N
+rxn:2:130655:167778,CCC(NC(C)c1cc2c(cc1-c1cccnc1OC)OCCO2)c1cnc(N2CCCCCC2)cc1C,MNHUWKTZESFFMF-UHFFFAOYSA-N
+rxn:2:131688:85423,COc1ccc(C(CC2CCCC2)NCC(c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1,NELJNYGNGOIYGE-UHFFFAOYSA-N
+rxn:2:132135:143751,CCC1CCN(Cc2cc(NC(C)c3c(OC)cccc3-c3ccn(C4COC4)n3)ccc2OC)CC1,XQXAQBISNUGQGL-UHFFFAOYSA-N
+rxn:2:132135:145364,CCC1CCN(Cc2cc(NC(CN3CCCCC3)c3ccc4[nH]c(C5CC5)nc4c3)ccc2OC)CC1,LVAOWWZDZSJQRP-UHFFFAOYSA-N
+rxn:2:132135:164265,CCC1CCN(Cc2cc(NC(C)c3ccc(OC)c(-c4cnn(C5CCOC5)c4)c3)ccc2OC)CC1,KYOQJVUHCNGFML-UHFFFAOYSA-N
+rxn:2:132135:166817,CCC1CCN(Cc2cc(NC3CCN(C4Cc5cccc6cccc4c56)CC3)ccc2OC)CC1,WQBMZGDRXALVJE-UHFFFAOYSA-N
+rxn:2:132456:130181,Cc1cccc(C(COCC2CCCCC2)NC2CC(C)(C)CCc3ccc(C)cc32)c1,JUXSZSDJOXVNTB-UHFFFAOYSA-N
+rxn:2:132505:171582,CCCC(C(NCc1ccc2c(c1)CN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,GTHNFUUIUXKRLD-UHFFFAOYSA-N
+rxn:2:132769:135083,CCC(NC(Cc1ccccc1)c1ccc(OC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,CDZNIPIDFRFJLU-UHFFFAOYSA-N
+rxn:2:132769:167785,CCC(NC(C#Cc1ccccc1)c1ccc(OC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,RZVSYKIPUYKDOD-UHFFFAOYSA-N
+rxn:2:132769:170693,CCC(NC(c1ccccc1)c1ccc2cc(OC)ccc2c1)C(N1CCCN(C)CC1)C(C)(C)C,YOZDMQFMTXKBSF-UHFFFAOYSA-N
+rxn:2:132803:144188,CCN1CCC(CNC(C)c2ccc(OC)c(-c3cnc4cc[nH]c4c3)c2)(N2CCOCC2C)CC1,PDTGTEGXLORANJ-UHFFFAOYSA-N
+rxn:2:133216:152258,CCC(NCC1(c2ccc(OC)c(C)c2OC)CC1C)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,FXWMCWFEADXQTO-UHFFFAOYSA-N
+rxn:2:133218:143973,CN1CCCC(Oc2ccncc2NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,FKUYHURJDMVIHB-UHFFFAOYSA-N
+rxn:2:133959:133985,CCC(CC)C(=O)Oc1cccnc1NC1CCN(CCCOC)CC1,NDHDCCIMQTZKOS-UHFFFAOYSA-N
+rxn:2:133959:78392,CCC(CC)C(=O)Oc1cccnc1NC1CCC(N(C)CCOC)CC1,SIJGSVLPBNFQIK-UHFFFAOYSA-N
+rxn:2:134212:141711,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)c(C)c3)cn2)C1,CPHFHTZPSXNJCM-UHFFFAOYSA-N
+rxn:2:134487:172875,CC(C)(C)OCc1ccccc1-c1cccc2c1C(NCC(N1CCCC1c1ccccc1)C(C)(C)C)CC2,OTLGURMZPZXQNS-UHFFFAOYSA-N
+rxn:2:134766:143973,O=S1(=O)CCN(c2cccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c2)CC1,GZIAJWHDEUUGCE-UHFFFAOYSA-N
+rxn:2:135637:154155,CN1CCC(n2nc3c(c2CNC2COc4ccc(-c5cnn(S(C)(=O)=O)c5)cc42)C2CC2C3)CC1,ANKDMPAKBIGXGQ-UHFFFAOYSA-N
+rxn:2:136378:131379,CC(C1CC1(F)F)n1[nH]c(=O)cc1NC1CCN(CCOS(C)(=O)=O)CC1,UAUNNPOOYPKFMP-UHFFFAOYSA-N
+rxn:2:137660:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2c(C3CCCN(C)C3)nc3n2CCCC3)cn1,QGWNUSURALIOHI-UHFFFAOYSA-N
+rxn:2:137809:168480,COCCC(Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)C1CCCCC1,JPXUIZRHVKUPKS-UHFFFAOYSA-N
+rxn:2:138759:149333,CCN1CCC(COc2ncc(NC(C)c3ccc(-c4ccc(N5CCCC5)nc4)cc3OC)cn2)CC1,BJQQZUMCVKSXLC-UHFFFAOYSA-N
+rxn:2:140012:169191,CCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,CVGJFLLYDZZCEH-UHFFFAOYSA-N
+rxn:2:140012:171917,CCCC(NCCCN1CCC2(CC(OC)CCO2)C1)c1ccc(-c2nc3ccccc3[nH]2)cc1,CKXFQPYHWNQLPE-UHFFFAOYSA-N
+rxn:2:140449:102673,CC(CN1CCCC1)C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1,VTIOCIWLYPRLQQ-UHFFFAOYSA-N
+rxn:2:140449:106366,CC(CN1CCCCC1)C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1,HKWQJKYMHVXFQK-UHFFFAOYSA-N
+rxn:2:140449:128836,CC(C(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccccc1)N1CCCC1,DUMUBFLABYQERX-UHFFFAOYSA-N
+rxn:2:140449:69400,CC(C)CC(Nc1ccccc1OCCN1CCC(C)(C)CC1)c1ccc2c(c1)CCCC2,PWIDAGUBZSIODS-UHFFFAOYSA-N
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+rxn:2:141808:169898,CCCC1CCC(NC(c2c[nH]c3ccccc23)C2C(C)(C)C2(C)C)(c2ccccc2OC)CC1,QMJCKFOPKZTBJM-UHFFFAOYSA-N
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