Added 302 molecules from epoch 17723 for Q9BY41

Q9BY41_molecules.csv

@@ -35974,3 +35974,305 @@ rxn:2:99043:144179,CC(NC1(CS(C)(=O)=O)CCCCC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,DUB
 rxn:2:99344:104818,CC1(C)CC(NC(c2ccncc2)C2C3CC4CC(C3)CC2C4)CC(C)(C)C1,IIQICLSJVBRYJF-UHFFFAOYSA-N
 rxn:2:99522:141967,CC1(C)C(C[Si](C)(C)C)CC1NC(c1ccc(C2CC2)cc1)C1CCC1,VJWXTYPKVOPVTN-UHFFFAOYSA-N
 rxn:2:99792:102573,CC(C)(C)[Si](C)(C)Oc1cccc2c1C(Nc1nc(N3CCC(F)(F)CC3)n[nH]1)CC2,QAJOUVYPQQSMQN-UHFFFAOYSA-N
+rxn:2:100207:127848,CN1CC2(CCN(c3ccc(NC(c4ccc[nH]4)C4CCCCS4(=O)=O)cc3)CC2)C1,SOBAROSPOIEYLA-UHFFFAOYSA-N
+rxn:2:100207:148296,CN1CC2(CCN(c3ccc(NC4CCC(c5ccc(S(C)(=O)=O)cc5)CC4)cc3)CC2)C1,ZNISBDZITFKPHK-UHFFFAOYSA-N
+rxn:2:100207:148822,CN1CC2(CCN(c3ccc(NC(c4ccc(S(C)(=O)=O)cc4)C4CCCCC4)cc3)CC2)C1,UVAGSLCYRPMNGJ-UHFFFAOYSA-N
+rxn:2:100207:151806,CN1CC2(CCN(c3ccc(NC(CS(C)(=O)=O)c4ccc5c(c4)CCC5)cc3)CC2)C1,GBBACBKLGBNRMP-UHFFFAOYSA-N
+rxn:2:100207:162580,CCC(Nc1ccc(N2CCC3(CC2)CN(C)C3)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,FUIGGTQFBFMRHV-UHFFFAOYSA-N
+rxn:2:100289:115446,CCOC1CN(c2ccc(NC(c3ccc4c(c3)OCO4)C(C)N3CCCC3)cn2)CC1OC,FVTDQFRSPQKZPQ-UHFFFAOYSA-N
+rxn:2:100419:166079,CC(Nc1ccncc1N1CCCCC1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,IHRFFUQFSWINRO-UHFFFAOYSA-N
+rxn:2:100445:148296,CC(C)c1cccc(N2CCC(NC3CCC(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)c1,WSLSVXJTZROBPD-UHFFFAOYSA-N
+rxn:2:100672:163743,CC1CN(C(CNC(c2cccc(S(C)(=O)=O)c2)C2CCC2)c2ccncc2)CCCO1,CODWFEOJRHPJRJ-UHFFFAOYSA-N
+rxn:2:100822:154346,CN1CCc2cnc(C3CC(NC(c4cccc(S(C)(=O)=O)c4)C4(C)CC4)CCN3C)cc21,OMZISMVNIBHHDY-UHFFFAOYSA-N
+rxn:2:100901:166079,CCC(C)n1ncc(S(C)(=O)=O)c1NC(C)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,MQNLXNCDBRXXMW-UHFFFAOYSA-N
+rxn:2:100929:153164,CC1CC2C(CC1NCC1C(c3ccc4nccnc4c3)C1(F)F)C(C)(C)CCC2(C)C,WOJCCMPFPIPKLS-UHFFFAOYSA-N
+rxn:2:100929:156132,CC[C@@H](NC1CC2C(CC1C)C(C)(C)CCC2(C)C)c1ccc2c(c1)Cc1ccccc1-2,RKYCFWUINMQUCV-RGSPCQQXSA-N
+rxn:2:101280:128727,Cc1cc(C)c(CN(C)C2CCC(Nc3ccc(C4(S(C)(=O)=O)CC4)nc3)CC2)c(C)c1,PRFVTECNTMWOOZ-UHFFFAOYSA-N
+rxn:2:101295:148296,C[C@H](NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1cccc(N2CCN(C)CC2)c1,LABQRYNOYZDPMA-MFMCRYCZSA-N
+rxn:2:101295:148822,C[C@H](NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)c1cccc(N2CCN(C)CC2)c1,UZBFLFRCUMBCLC-LWAJAQLZSA-N
+rxn:2:101516:153335,CCS(=O)(=O)c1ccc(C(N[C@H](c2ccc(N3CCCC3)cc2)C2CC2)C2CCCC2)cc1,GNUMKSPWQIVMIT-CPRJBALCSA-N
+rxn:2:101650:151893,Cc1cc(N2CCCCC2)c(C)cc1NC1CC2(CCS(=O)(=O)CC2)Oc2ccccc21,QBHNCOCNQMHXEG-UHFFFAOYSA-N
+rxn:2:102769:155634,Cc1cc(CNC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)cnc1N1CCN(C)CC1,MEKWUHYROBFIFG-UHFFFAOYSA-N
+rxn:2:103120:117066,CC(NCC(C)C1CCC(C(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,UBPQWBCDPXEHLW-UHFFFAOYSA-M
+rxn:2:103458:72283,CC(C)(C)c1ccc(N2CCC(NCc3cccc(N4CCS(=O)(=O)CC4)n3)CC2)cc1,LMWGDZOYOMOJRQ-UHFFFAOYSA-N
+rxn:2:103458:91257,CCc1ccc(C(C#CN2CCCCC2)NCc2cccc(N3CCS(=O)(=O)CC3)n2)cc1,LVYPMSANZFKPCV-UHFFFAOYSA-N
+rxn:2:103475:153335,CCN1CCN(c2ncc(C(C)NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)cc2C)CC1,GAIKGYSSCVCQFE-UHFFFAOYSA-N
+rxn:2:103506:153335,CCS(=O)(=O)c1ccc(C(Nc2c(C)cccc2N2CCN(C)CC2)C2CCCC2)cc1,VOCLVIAZMZBSOO-UHFFFAOYSA-N
+rxn:2:103518:153993,CS(=O)(=O)n1cc(-c2cccc3c2CCCC3NCC2(c3ccc4c(c3)OCCO4)CCCCC2)cn1,ZQOAXDAIYVDKDG-UHFFFAOYSA-N
+rxn:2:103631:155634,Cc1cc(C)c(N2CCCCC2)c(NC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)c1,IQUCGBPXFHZABA-UHFFFAOYSA-N
+rxn:2:103728:163743,Cc1c(C2CC2)nn(C2CCCCN2C)c1NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,RWNGEEFAUINPBY-UHFFFAOYSA-N
+rxn:2:104074:153335,CCN1CCN(c2ccc(NC(c3ccc(S(=O)(=O)CC)cc3)C3CCCC3)c(C)c2)CC1,VMUNMOBPJLRTBR-UHFFFAOYSA-N
+rxn:2:104185:149479,CCN1CCN(c2cnccc2NC2CC3(CCS(=O)(=O)CC3)Oc3ccc(C)cc32)CC1,FOXZNKCBDPRJKY-UHFFFAOYSA-N
+rxn:2:104634:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(N3CCCCC3)c(C)c2C)C2CCCC2)cc1,YMKGGKSXNGPOOW-UHFFFAOYSA-N
+rxn:2:105030:153335,CCC(NC(c1ccc(S(=O)(=O)CC)cc1)C1CCCC1)C(c1ccncc1)N1CCC(C)CC1,JWUJKOBIVSHEOK-UHFFFAOYSA-N
+rxn:2:105390:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(C3CCN(C(C)C)CC3)cc2)C2CCCC2)cc1,CSFFMSBFKTZPNB-UHFFFAOYSA-N
+rxn:2:105458:90147,CN(C)CC1CCN(c2cc(CNC(c3ccc(S(=O)(=O)F)cc3)C3CC3)ccn2)CC1,JQASBSPDJFGDCL-UHFFFAOYSA-N
+rxn:2:105500:153335,CCc1cccc(NC(c2ccc(S(=O)(=O)CC)cc2)C2CCCC2)c1N1CCCCC1,GIXALCFQWJDHBF-UHFFFAOYSA-N
+rxn:2:105647:148822,CCN1CCN(C(c2cccnc2)C(C)NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,RFFNLAKSCUSXOY-UHFFFAOYSA-N
+rxn:2:105832:120275,CCS(C)(=O)=NCCNC(c1ccc(CN2CCSCC2)cc1)C1CC1,IBYXKQXCRQXLGF-UHFFFAOYSA-N
+rxn:2:106159:121655,CC(C)C(CCS(C)(=O)=O)NC(c1ccc(N2CCCCC2)cc1)C1CC1,LGMWPUPQKBTWPV-UHFFFAOYSA-N
+rxn:2:106445:154346,CCN1CCC(CNC(c2cccc(S(C)(=O)=O)c2)C2(C)CC2)(N(C)C)CC1,FIWNACYGACMUHK-UHFFFAOYSA-N
+rxn:2:106992:136559,CCC(NCCC1(S(C)(=O)=O)CC1)c1ccc(N2CCCC(F)C2)cc1,YMQWBJRVNIQRQW-UHFFFAOYSA-N
+rxn:2:106992:138583,Cc1cc(C)c(C(CC2=NCCO2)NCCC2(S(C)(=O)=O)CC2)cc1C,AYZLKWVNVJDIIB-UHFFFAOYSA-N
+rxn:2:107455:169913,CC(C)(C)C(NCC1CCC2C(C1)C2(F)F)c1cccc(-c2cnn(C3CCC3)c2)c1,HITULQMNVQPDIF-UHFFFAOYSA-N
+rxn:2:107729:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC(F)C2CCCC2)cc1,ZAFVDMLHRYDAJT-UHFFFAOYSA-N
+rxn:2:107906:101320,CC1(C)C(CNC(c2ccccc2)C(F)N2CN(F)C=N2)CCS1(=N)=O,XCFVJXALNRXWAP-UHFFFAOYSA-N
+rxn:2:107906:105855,CC1(C)CC1N1CCC(NC(c2ccccc2)C(F)N2CN(F)C=N2)C1,MVEWJVCRWSUTDO-UHFFFAOYSA-N
+rxn:2:107906:115003,CC(C)(C)C(NC(c1ccccc1)C(F)N1CN(F)C=N1)C1CCSCC1,RUIWMQRXJMSKMZ-UHFFFAOYSA-N
+rxn:2:107906:127132,CS(=O)(=O)C1CCC(CNC(c2ccccc2)C(F)N2CN(F)C=N2)CC1,DPZFFZZGTIPAEN-UHFFFAOYSA-N
+rxn:2:108208:154346,CC1(C(Nc2ccc(CN3CCN(C4CC4)CC3)cc2)c2cccc(S(C)(=O)=O)c2)CC1,XNONDGRXZAEBNB-UHFFFAOYSA-N
+rxn:2:108572:151893,CN1CCN(c2cncc(CNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)c2)CC1,PAJIRWUFXFPXSD-UHFFFAOYSA-N
+rxn:2:108572:158184,Cc1ccc2c(c1)OC1(CCS(=O)(=O)CC1)CC2NCc1cncc(N2CCN(C)CC2)c1,UNVCTRFSVKSDPJ-UHFFFAOYSA-N
+rxn:2:108781:154155,CC1CN(C2CC2)C(CNC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)CN1C,HEAMVJRSKBLCAW-UHFFFAOYSA-N
+rxn:2:108881:86764,Cc1ccccc1C(CCS(C)(=O)=O)N[C@H](c1ccc(N2CCCC2)cc1)C1CCCC1,UQDCZPMRGDAYKV-GEVKEYJPSA-N
+rxn:2:109017:149518,CC(N[C@@H](c1ccc2c(c1)OCCO2)C1CCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,AHAHOOCFBIRNPH-IXXGTQFESA-N
+rxn:2:109142:101404,CC(C)c1cc2c(c(C(CN(C)C)NCCCS(=O)(=O)[O-])c1)OCCCC2,PZLWGLGKSOSNMW-UHFFFAOYSA-M
+rxn:2:110422:136559,CCC(NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCC(F)C2)cc1,JIDFAXAXAIPDAW-UHFFFAOYSA-N
+rxn:2:110659:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3nc(N4CCOCC4)cc(=O)[nH]3)C2(F)F)nc1,NHHQFYSUKGYSHU-UHFFFAOYSA-N
+rxn:2:111080:155634,CCN1CCN(c2cc3c(cc2NC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)OCO3)CC1,BZJMZVZUWDVZKN-UHFFFAOYSA-N
+rxn:2:111213:163743,Cc1cccc(N2CCN(C(C)C)CC2)c1NC(c1cccc(S(C)(=O)=O)c1)C1CCC1,LLQJGVCKTULIJV-UHFFFAOYSA-N
+rxn:2:111376:121655,CCS(=O)(=O)C(C)C(NC(c1ccc(N2CCCCC2)cc1)C1CC1)c1ccc(OC)cc1,DHKZAQBRZVKROA-UHFFFAOYSA-N
+rxn:2:111376:138770,CCS(=O)(=O)C(C)C(Nc1ccc(C2CC2)cc1N1CCCCC1)c1ccc(OC)cc1,BJLVFAHERGTAKF-UHFFFAOYSA-N
+rxn:2:111704:162580,CCC(NC(c1cccc(C2CC2)c1)C1CCC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,JWYFBXGLRMORBW-UHFFFAOYSA-N
+rxn:2:111740:151893,CC1CCN(c2cncc(CNC3CC4(CCS(=O)(=O)CC4)Oc4ccccc43)c2)CC1,APIOBOJEFPRWPT-UHFFFAOYSA-N
+rxn:2:111801:149479,Cc1ccc2c(c1)C(Nc1ccc(N3CCC(C)CC3)cc1C)CC1(CCS(=O)(=O)CC1)O2,ILXPMOSHFRJANM-UHFFFAOYSA-N
+rxn:2:112032:155634,Cc1cc(NC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)ccc1N1CCC(C)CC1,LZGDZMINATTYHQ-UHFFFAOYSA-N
+rxn:2:112131:155634,CCN1CCN(c2ccc(NC(c3ccc(S(=O)(=O)C(C)C)cc3)C3CCC3)cc2)CC1,RCXSZAUZHQPWIH-UHFFFAOYSA-N
+rxn:2:112215:128727,CCC(C(Nc1ccc(C2(S(C)(=O)=O)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,HRMPLYODVXGDGG-UHFFFAOYSA-N
+rxn:2:112578:155634,CCC1CCCN(C(CNC(c2ccc(S(=O)(=O)C(C)C)cc2)C2CCC2)c2ccncc2)C1,UAKKBQSRFUEMDR-UHFFFAOYSA-N
+rxn:2:113073:151893,CN1CCC(CCc2cccnc2)(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CC1,BRWYILOLORELKB-UHFFFAOYSA-N
+rxn:2:113350:151893,CN1CCN(c2nn(C)cc2NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)CC1,SAVRJYCOFHJWCG-UHFFFAOYSA-N
+rxn:2:115639:148296,CCC(C(NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1)N1CCCCC1,GIDIQUNKJHFDHI-UHFFFAOYSA-N
+rxn:2:115741:153335,CC[C@H](NC(c1ccc(S(=O)(=O)CC)cc1)C1CCCC1)c1ccc(N2CCCC2)cc1,QSEWNZQZCAJPKZ-QBHOUYDASA-N
+rxn:2:115824:155634,CCN1CCN(c2cccc(NC(c3ccc(S(=O)(=O)C(C)C)cc3)C3CCC3)c2)CC1,NGDYFEKHBUOBDE-UHFFFAOYSA-N
+rxn:2:115974:153335,CCN1CCC(CNC(c2ccc(S(=O)(=O)CC)cc2)C2CCCC2)(c2cccnc2)CC1,ULKHGLGDTUPVEV-UHFFFAOYSA-N
+rxn:2:116192:148822,Cc1cc(N2CCCCC2C)ccc1NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1,UZCMXJRTSSFOKR-UHFFFAOYSA-N
+rxn:2:116192:155634,Cc1cc(N2CCCCC2C)ccc1NC(c1ccc(S(=O)(=O)C(C)C)cc1)C1CCC1,PSODXQYLFVOSII-UHFFFAOYSA-N
+rxn:2:116478:130972,CC(CCS(=O)(=O)c1ccc(C(C)C)cc1)Nc1ccccc1N1CCN(C2CCC2)CC1,ULIIVTLOTQXBHX-UHFFFAOYSA-N
+rxn:2:116862:144179,CC(NCC1(S(C)(=O)=O)CCCCCC1)c1ccc(-c2ccc(C3CC3)nc2)c2c1OCO2,XDISRRZVRNMGCG-UHFFFAOYSA-N
+rxn:2:117015:149518,CC(N[C@H](c1ccc2c(c1)OCCO2)C1CCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,AHAHOOCFBIRNPH-LYIYLXCWSA-N
+rxn:2:117602:164871,CS(=O)(=O)c1ccc(-c2ccc3c(c2)OCC3NCCCCN2CCC(F)(F)CC2)cc1,VQJYXICDPKMFAB-UHFFFAOYSA-N
+rxn:2:117613:162580,CCC(NCC(c1ccccc1)C1CCN(C)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,ZVJISEXNQJJWNL-UHFFFAOYSA-N
+rxn:2:119076:151893,CC1CCC(C(NC2CC3(CCS(=O)(=O)CC3)Oc3ccccc32)c2ccsc2)CC1,POOSAXIKBMVKTP-UHFFFAOYSA-N
+rxn:2:119300:149518,CC(NCC(C)(C)c1ccccc1N1CCCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,NNQFGLSCXFZBBY-UHFFFAOYSA-N
+rxn:2:119371:154346,CC1(C(NC2CC(N3CCN(c4ccccc4)CC3)C2)c2cccc(S(C)(=O)=O)c2)CC1,BXXDOPKKKCGGCY-UHFFFAOYSA-N
+rxn:2:120226:148294,Cc1cccc(C2CCN(C3CC3)CC2NC(c2cccc(S(C)(=O)=O)c2)C(C)(C)C)c1,JNXKMZXNBCVCLB-UHFFFAOYSA-N
+rxn:2:120734:170160,CC(NCCN(C)C1CCS(=O)(=O)CC1)c1csc(-c2cccc(N3CCCCC3)c2)c1,ANWVFKZLHZYXTM-UHFFFAOYSA-N
+rxn:2:121233:153537,Cc1ccc(C)c(C(NCc2cccc(N3CCC(N4CCCC4)C3)c2)C(C)S(C)(=O)=O)c1,SSNPPBMPJZMGJO-UHFFFAOYSA-N
+rxn:2:121233:154346,CC1(C(NCc2cccc(N3CCC(N4CCCC4)C3)c2)c2cccc(S(C)(=O)=O)c2)CC1,ZYHDCZFEZNIJIH-UHFFFAOYSA-N
+rxn:2:121598:135944,CCc1ccc(N2CCC(CNC(c3cccc(S(C)(=O)=O)c3)C3CC3)(N(C)C)C2)cc1,PSAWCXVHRRKKHI-UHFFFAOYSA-N
+rxn:2:121598:138029,CC1CCCN1C1CCN(c2ccc(NC(c3cccc(S(C)(=O)=O)c3)C3CC3)cc2)C1,QMDXUVZDRKEXQY-UHFFFAOYSA-N
+rxn:2:121655:130972,CC(CCS(=O)(=O)c1ccc(C(C)C)cc1)NC(c1ccc(N2CCCCC2)cc1)C1CC1,MBQAHFZEFIAURK-UHFFFAOYSA-N
+rxn:2:121655:153537,Cc1ccc(C)c(C(NC(c2ccc(N3CCCCC3)cc2)C2CC2)C(C)S(C)(=O)=O)c1,UMYNEGBDVMFQKB-UHFFFAOYSA-N
+rxn:2:121655:162580,CCC(NC(c1ccc(N2CCCCC2)cc1)C1CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,OSOFXDOTIXOZCR-UHFFFAOYSA-N
+rxn:2:121794:128727,CCC(C)(C)C1CCC(Nc2ccc(C3(S(C)(=O)=O)CC3)nc2)C(F)C1,AKVRUMYYQNGGIX-UHFFFAOYSA-N
+rxn:2:122337:163743,CC(CNC(c1cccc(S(C)(=O)=O)c1)C1CCC1)(Cc1ccsc1)N1CCCCC1,SCMFTHULFJUBLI-UHFFFAOYSA-N
+rxn:2:122348:154497,CCc1ccc(-n2nc(C3CCC3)cc2NC(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cc1,DLCOZWDHTLOYFA-UHFFFAOYSA-N
+rxn:2:122348:158418,CCc1cncc(-n2nc(C3CCC3)cc2NC(C#C[Si](C)(C)C)C#C[Si](C)(C)C)c1,IXJRYDMVTQINOD-UHFFFAOYSA-N
+rxn:2:122430:121598,CN(CCc1ccncc1)C1CCCCCC1NC(c1cccc(S(C)(=O)=O)c1)C1CC1,QGZROYHKNNBANO-UHFFFAOYSA-N
+rxn:2:122430:162583,CN(CCc1ccncc1)C1CCCCCC1NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,COZZVLUZBJPIGL-UHFFFAOYSA-N
+rxn:2:122576:148822,CSC1(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CCN(C)CC1,MIBPIKDEPCMIJS-UHFFFAOYSA-N
+rxn:2:122928:148296,CC(CNC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCCC2)cc1,SGDPGMWEFYHHDI-UHFFFAOYSA-N
+rxn:2:122928:148822,CC(CNC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)c1ccc(N2CCCCC2)cc1,NOPUWKDZDLKIMD-UHFFFAOYSA-N
+rxn:2:122938:162580,CCC(NC(CC)c1cc2c3c(c1)CCN3CCC2)c1ccc(N2CCS(=O)(=O)CC2)nc1,HFPBKIUVJFLYJG-UHFFFAOYSA-N
+rxn:2:123880:166132,Cc1ccc(S(=O)(=O)n2ccc3c2CCCC3NC2CC3(CCC(C)(C)CC3)C2)cc1,WKORIZVWCIKKEA-UHFFFAOYSA-N
+rxn:2:124267:149518,CC(NC(c1ccc2c(c1)OCCCO2)C1CCCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,SORGPHPWPAEVTA-UHFFFAOYSA-N
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