Compound ID,Smiles,Smiles_R,Molecular Weight,Exact Mass,XLogP3,Heavy Atom Count,Ring Count,Hydrogen Bond Acceptor Count,Hydrogen Bond Donor Count,Rotatable Bond Count,Topological Polar Surface Area,Molecular Formula,InChI,InChI Key
"1","CCOCCOC","[R1]CCOCCOC[R2]","104.149","104.083729624","0.3","7","0","2","0","4","18.46","C5H12O2","InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","CAQYAZNFWDDMIT-UHFFFAOYSA-N"
"2","CCOCCOCCOCCOC","[R1]CCOCCOCCOCCOC[R2]","192.255","192.13615912","0","13","0","4","0","10","36.92","C9H20O4","InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3","JRRDISHSXWGFRF-UHFFFAOYSA-N"
"3","CCNC(=O)COCCOCC","[R1]CCOCCOCC(=O)NCC[R2]","175.228","175.120843404","0.01","12","0","3","1","7","47.56","C8H17NO3","InChI=1S/C8H17NO3/c1-3-9-8(10)7-12-6-5-11-4-2/h3-7H2,1-2H3,(H,9,10)","QETLNMPRYFLOQP-UHFFFAOYSA-N"
"4","CCNC(=O)COCCOCCOCCOCC","[R1]CCOCCOCCOCCOCC(=O)NCC[R2]","263.334","263.1732729","-0.29","18","0","5","1","13","66.02","C12H25NO5","InChI=1S/C12H25NO5/c1-3-13-12(14)11-18-10-9-17-8-7-16-6-5-15-4-2/h3-11H2,1-2H3,(H,13,14)","PEHBLNOEQICMNP-UHFFFAOYSA-N"
"5","CCOCCOCC=O","[R1]CCOCCOCC(=O)[R2]","132.159","132.078644244","-0.17","9","0","3","0","6","35.53","C6H12O3","InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h3H,2,4-6H2,1H3","VAKGZFIDFWQAJM-UHFFFAOYSA-N"
"6","CCOCCOCCOCCOCC=O","[R1]CCOCCOCCOCCOCC(=O)[R2]","220.265","220.13107374","-0.47","15","0","5","0","12","53.99","C10H20O5","InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h3H,2,4-10H2,1H3","FMXVEMRCLXJCIA-UHFFFAOYSA-N"
"7","CCOCCOCCOCCOCCOC","[R1]CCOCCOCCOCCOCCOC[R2]","236.308","236.162373868","-0.15","16","0","5","0","13","46.15","C11H24O5","InChI=1S/C11H24O5/c1-3-13-6-7-15-10-11-16-9-8-14-5-4-12-2/h3-11H2,1-2H3","YZWVMKLQNYGKLJ-UHFFFAOYSA-N"
"8","CCCCCOCCOC","[R1]CCCCCOCCOC[R2]","146.23","146.130679816","1.72","10","0","2","0","7","18.46","C8H18O2","InChI=1S/C8H18O2/c1-3-4-5-6-10-8-7-9-2/h3-8H2,1-2H3","OJTBQXZLANYDLF-UHFFFAOYSA-N"
"9","CCOCCOCCOC","[R1]CCOCCOCCOC[R2]","148.202","148.109944372","0.15","10","0","3","0","7","27.69","C7H16O3","InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3","CNJRPYFBORAQAU-UHFFFAOYSA-N"
"10","COCCOCCOCC=O","[R1]C(=O)COCCOCCOC[R2]","162.185","162.089208928","-0.69","11","0","4","0","8","44.76","C7H14O4","InChI=1S/C7H14O4/c1-9-4-5-11-7-6-10-3-2-8/h2H,3-7H2,1H3","IGENRCKJLAQXEW-UHFFFAOYSA-N"
"11","CCOCCOCC","[R1]CCOCCOCC[R2]","118.176","118.099379688","0.66","8","0","2","0","5","18.46","C6H14O2","InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3","LZDKZFUFMNSQCJ-UHFFFAOYSA-N"
"12","CCOCCOCCOCCOCC","[R1]CCOCCOCCOCCOCC[R2]","206.282","206.151809184","0.37","14","0","4","0","11","36.92","C10H22O4","InChI=1S/C10H22O4/c1-3-11-5-7-13-9-10-14-8-6-12-4-2/h3-10H2,1-2H3","KIAMPLQEZAMORJ-UHFFFAOYSA-N"
"13","CCOCC","[R1]CCOCC[R2]","74.123","74.07316494","0.81","5","0","1","0","2","9.23","C4H10O","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","RTZKZFJDLAIYFH-UHFFFAOYSA-N"
"14","CCOCCOCCOCC","[R1]CCOCCOCCOCC[R2]","162.229","162.125594436","0.52","11","0","3","0","8","27.69","C8H18O3","InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3","RRQYJINTUHWNHW-UHFFFAOYSA-N"
"15","CCCCC","[R1]CCCCC[R2]","72.151","72.093900384","2.92","5","0","0","0","2","0","C5H12","InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3","OFBQJSOFQDEBGM-UHFFFAOYSA-N"
"16","CCCCCOCC","[R1]CCCCCOCC[R2]","116.204","116.120115132","2.24","8","0","1","0","5","9.23","C7H16O","InChI=1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3","VDMXPMYSWFDBJB-UHFFFAOYSA-N"
"17","CCOCC=O","[R1]C(=O)COCC[R2]","88.106","88.052429496","-0.02","6","0","2","0","3","26.3","C4H8O2","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","IAHZBRPNDIVNNR-UHFFFAOYSA-N"
"18","CCOCCOCC=O","[R1]C(=O)COCCOCC[R2]","132.159","132.078644244","-0.17","9","0","3","0","6","35.53","C6H12O3","InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h3H,2,4-6H2,1H3","VAKGZFIDFWQAJM-UHFFFAOYSA-N"
"19","CCOCCOCCOCC=O","[R1]C(=O)COCCOCCOCC[R2]","176.212","176.104858992","-0.32","12","0","4","0","9","44.76","C8H16O4","InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9/h3H,2,4-8H2,1H3","VIGPEKUIVIPDAG-UHFFFAOYSA-N"
"20","CCCCC=O","[R1]C(=O)CCCC[R2]","86.134","86.07316494","1.09","6","0","1","0","3","17.07","C5H10O","InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","HGBOYTHUEUWSSQ-UHFFFAOYSA-N"
"21","CCOCCCCC=O","[R1]C(=O)CCCCOCC[R2]","130.187","130.099379688","0.59","9","0","2","0","6","26.3","C7H14O2","InChI=1S/C7H14O2/c1-2-9-7-5-3-4-6-8/h6H,2-5,7H2,1H3","BCIRIYVFTVIZSE-UHFFFAOYSA-N"
"22","O=CCO","[R1]C(=O)CO[R2]","60.052","60.021129368","-0.93","4","0","2","1","1","37.3","C2H4O2","InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","WGCNASOHLSPBMP-UHFFFAOYSA-N"
"23","CCCC","[R1]CCCC[R2]","58.124","58.07825032","2.38","4","0","0","0","1","0","C4H10","InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3","IJDNQMDRQITEOD-UHFFFAOYSA-N"
"24","CC","[R1]CC[R2]","30.07","30.046950192","1.3","2","0","0","0","0","0","C2H6","InChI=1S/C2H6/c1-2/h1-2H3","OTMSDBZUPAUEDD-UHFFFAOYSA-N"
"25","CCC","[R1]CCC[R2]","44.097","44.062600256","1.84","3","0","0","0","0","0","C3H8","InChI=1S/C3H8/c1-3-2/h3H2,1-2H3","ATUOYWHBWRKTHZ-UHFFFAOYSA-N"
"26","CCCCCC","[R1]CCCCCC[R2]","86.178","86.109550448","3.47","6","0","0","0","3","0","C6H14","InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","VLKZOEOYAKHREP-UHFFFAOYSA-N"
"27","CCCCCCC","[R1]CCCCCCC[R2]","100.205","100.125200512","4.01","7","0","0","0","4","0","C7H16","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","IMNFDUFMRHMDMM-UHFFFAOYSA-N"
"28","C#CCCC","[R1]CCCC#C[R2]","68.119","68.062600256","1.88","5","0","0","0","1","0","C5H8","InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","IBXNCJKFFQIKKY-UHFFFAOYSA-N"
"29","C#CCC","[R1]CCC#C[R2]","54.092","54.046950192","1.34","4","0","0","0","0","0","C4H6","InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","KDKYADYSIPSCCQ-UHFFFAOYSA-N"
"30","C#CCOCCOCCOCC","[R1]CCOCCOCCOCC#C[R2]","172.224","172.109944372","0.26","12","0","3","0","8","27.69","C9H16O3","InChI=1S/C9H16O3/c1-3-5-11-8-9-12-7-6-10-4-2/h1H,4-9H2,2H3","NIFIKPHRYNDRRF-UHFFFAOYSA-N"
"31","C#CCCCCCC","[R1]CCCCCCC#C[R2]","110.2","110.109550448","3.51","8","0","0","0","4","0","C8H14","InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3","UMIPWJGWASORKV-UHFFFAOYSA-N"
"32","CCCCCCCC","[R1]CCCCCCCC[R2]","114.232","114.140850576","4.55","8","0","0","0","5","0","C8H18","InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3","TVMXDCGIABBOFY-UHFFFAOYSA-N"
"33","CCCCCCCCC","[R1]CCCCCCCCC[R2]","128.259","128.15650064","5.09","9","0","0","0","6","0","C9H20","InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3","BKIMMITUMNQMOS-UHFFFAOYSA-N"
"34","CCCCCOC","[R1]CCCCCOC[R2]","102.177","102.104465068","1.87","7","0","1","0","4","9.23","C6H14O","InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","DBUJFULDVAZULB-UHFFFAOYSA-N"
"35","CCCN1CCC(CC)CC1","[R1]CCC1CCN(CC1)CCC[R2]","155.285","155.167399672","2.98","11","1","1","0","3","3.24","C10H21N","InChI=1S/C10H21N/c1-3-7-11-8-5-10(4-2)6-9-11/h10H,3-9H2,1-2H3","JKHJGIRRPGGIIV-UHFFFAOYSA-N"
"36","CCCN1CCN(CC)CC1","[R1]CCN1CCN(CC1)CCC[R2]","156.273","156.16264864","1.34","11","1","2","0","3","6.48","C9H20N2","InChI=1S/C9H20N2/c1-3-5-11-8-6-10(4-2)7-9-11/h3-9H2,1-2H3","ZJAQKWSLYRNXDR-UHFFFAOYSA-N"
"37","CCCC#CC1=CN(CC)N=C1","[R1]CCCC#CC1=CN(N=C1)CC[R2]","162.236","162.115698448","2.27","12","1","2","0","2","17.82","C10H14N2","InChI=1S/C10H14N2/c1-3-5-6-7-10-8-11-12(4-2)9-10/h8-9H,3-5H2,1-2H3","BDURCJQVOLLHBO-UHFFFAOYSA-N"
"38","CCC#CC1=CN(C)N=C1","[R1]CCC#CC1=CN(N=C1)C[R2]","134.182","134.08439832","1.42","10","1","2","0","0","17.82","C8H10N2","InChI=1S/C8H10N2/c1-3-4-5-8-6-9-10(2)7-8/h6-7H,3H2,1-2H3","YFZOFEJRYGXPSN-UHFFFAOYSA-N"
"39","CCCCC1=CN(C)N=C1","[R1]CCCCC1=CN(N=C1)C[R2]","138.214","138.115698448","2.11","10","1","2","0","3","17.82","C8H14N2","InChI=1S/C8H14N2/c1-3-4-5-8-6-9-10(2)7-8/h6-7H,3-5H2,1-2H3","QTCJYVJPWUREDL-UHFFFAOYSA-N"
"40","CCCCCCCCCC","[R1]CCCCCCCCCC[R2]","142.286","142.172150704","5.63","10","0","0","0","7","0","C10H22","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","DIOQZVSQGTUSAI-UHFFFAOYSA-N"
"41","CCCCCCCCCCC","[R1]CCCCCCCCCCC[R2]","156.313","156.187800768","6.17","11","0","0","0","8","0","C11H24","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3","RSJKGSCJYJTIGS-UHFFFAOYSA-N"
"42","C#CC1=CC=C(CCCCCC)N=C1","[R1]C#CC1=CN=C(C=C1)CCCCCC[R2]","187.286","187.136099544","3.91","14","1","1","0","5","12.89","C13H17N","InChI=1S/C13H17N/c1-3-5-6-7-8-13-10-9-12(4-2)11-14-13/h2,9-11H,3,5-8H2,1H3","JVXALQWTVBJACI-UHFFFAOYSA-N"
"43","C#CC1=CC=C(N2CCN(CCC)CC2)N=C1","[R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CCC[R2]","229.327","229.157897608","2.26","17","2","3","0","3","19.37","C14H19N3","InChI=1S/C14H19N3/c1-3-7-16-8-10-17(11-9-16)14-6-5-13(4-2)12-15-14/h2,5-6,12H,3,7-11H2,1H3","KUIOGLKGGGGIAM-UHFFFAOYSA-N"
"44","C#CC1=CC=C(N2CCN(CCCC)CC2)N=C1","[R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CCCC[R2]","243.354","243.173547672","2.62","18","2","3","0","4","19.37","C15H21N3","InChI=1S/C15H21N3/c1-3-5-8-17-9-11-18(12-10-17)15-7-6-14(4-2)13-16-15/h2,6-7,13H,3,5,8-12H2,1H3","FCWKVTCLYUQKNS-UHFFFAOYSA-N"
"45","C#CC1=CC=C(N2CCN(CC)CC2)N=C1","[R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CC[R2]","215.3","215.142247544","1.73","16","2","3","0","2","19.37","C13H17N3","InChI=1S/C13H17N3/c1-3-12-5-6-13(14-11-12)16-9-7-15(4-2)8-10-16/h1,5-6,11H,4,7-10H2,2H3","APRHSTGCOUVFGK-UHFFFAOYSA-N"
"46","C#CC1=CC=C(N2CCN(C)CC2)N=C1","[R1]C#CC1=CN=C(C=C1)N2CCN(CC2)C[R2]","201.273","201.12659748","1.37","15","2","3","0","1","19.37","C12H15N3","InChI=1S/C12H15N3/c1-3-11-4-5-12(13-10-11)15-8-6-14(2)7-9-15/h1,4-5,10H,6-9H2,2H3","OILUJPMEHSBBQL-UHFFFAOYSA-N"
"47","C#CC1=CC=C(N2CCNCC2)N=C1","[R1]C#CC1=CN=C(C=C1)N2CCN(CC2)[R2]","187.246","187.110947416","0.9","14","2","3","1","1","28.16","C11H13N3","InChI=1S/C11H13N3/c1-2-10-3-4-11(13-9-10)14-7-5-12-6-8-14/h1,3-4,9,12H,5-8H2","IMSQYOVMMQROAO-UHFFFAOYSA-N"
"48","C#CC1CCN(C2CCNCC2)CC1","[R1]C#CC1CCN(CC1)C2CCN(CC2)[R2]","192.306","192.16264864","1.25","14","2","2","1","1","15.27","C12H20N2","InChI=1S/C12H20N2/c1-2-11-5-9-14(10-6-11)12-3-7-13-8-4-12/h1,11-13H,3-10H2","BRIAZNMAVALSCM-UHFFFAOYSA-N"
"49","CCCCCCCCCNC=O","[R1]C(=O)NCCCCCCCCC[R2]","171.284","171.162314292","4.1","12","0","1","1","9","29.1","C10H21NO","InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-9-11-10-12/h10H,2-9H2,1H3,(H,11,12)","HEIIJVVALRPNFV-UHFFFAOYSA-N"
"50","CCCCCCCCCCNC=O","[R1]C(=O)NCCCCCCCCCC[R2]","185.311","185.177964356","4.64","13","0","1","1","10","29.1","C11H23NO","InChI=1S/C11H23NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h11H,2-10H2,1H3,(H,12,13)","ZNCRMMYZWDNTCE-UHFFFAOYSA-N"
"51","CCCCNC(=O)CO","[R1]CCCCNC(=O)CO[R2]","131.175","131.094628656","0.14","9","0","2","2","4","49.33","C6H13NO2","InChI=1S/C6H13NO2/c1-2-3-4-7-6(9)5-8/h8H,2-5H2,1H3,(H,7,9)","WFYNRXPMFUYIDC-UHFFFAOYSA-N"
"52","CCCCNC(C)=O","[R1]CCCCNC(=O)C[R2]","115.176","115.099714036","0.79","8","0","1","1","3","29.1","C6H13NO","InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)","GYLDXXLJMRTVSS-UHFFFAOYSA-N"
"53","CCCCCCCO","[R1]CCCCCCCO[R2]","116.204","116.120115132","2.42","8","0","1","1","5","20.23","C7H16O","InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3","BBMCTIGTTCKYKF-UHFFFAOYSA-N"
"54","CCCOCC","[R1]CCOCCC[R2]","88.15","88.088815004","1.34","6","0","1","0","3","9.23","C5H12O","InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","NVJUHMXYKCUMQA-UHFFFAOYSA-N"
"55","CCCCCNC=O","[R1]C(=O)NCCCCC[R2]","115.176","115.099714036","1.94","8","0","1","1","5","29.1","C6H13NO","InChI=1S/C6H13NO/c1-2-3-4-5-7-6-8/h6H,2-5H2,1H3,(H,7,8)","UBKOTQBYKQFINX-UHFFFAOYSA-N"
"56","NCCN1C=C(CO)N=N1","[R1]NCCN1C=C(N=N1)CO[R2]","142.162","142.08546094","-2.17","10","1","5","2","3","76.96","C5H10N4O","InChI=1S/C5H10N4O/c6-1-2-9-3-5(4-10)7-8-9/h3,10H,1-2,4,6H2","QBRSPHHAFDKHBS-UHFFFAOYSA-N"
"57","NCCN1C=C(COCCO)N=N1","[R1]NCCN1C=C(N=N1)COCCO[R2]","186.215","186.111675688","-2.32","13","1","6","2","6","86.19","C7H14N4O2","InChI=1S/C7H14N4O2/c8-1-2-11-5-7(9-10-11)6-13-4-3-12/h5,12H,1-4,6,8H2","MLEHCIIJTRPTGA-UHFFFAOYSA-N"
"58","NCCN1C=C(COCCOCCO)N=N1","[R1]NCCN1C=C(N=N1)COCCOCCO[R2]","230.268","230.137890436","-2.46","16","1","7","2","9","95.42","C9H18N4O3","InChI=1S/C9H18N4O3/c10-1-2-13-7-9(11-12-13)8-16-6-5-15-4-3-14/h7,14H,1-6,8,10H2","VYVPEKOLZKXSGT-UHFFFAOYSA-N"
"59","NCCN1C=C(COCCOCCOCCO)N=N1","[R1]NCCN1C=C(N=N1)COCCOCCOCCO[R2]","274.321","274.164105184","-2.61","19","1","8","2","12","104.65","C11H22N4O4","InChI=1S/C11H22N4O4/c12-1-2-15-9-11(13-14-15)10-19-8-7-18-6-5-17-4-3-16/h9,16H,1-8,10,12H2","XNRQJYPYBNBWJK-UHFFFAOYSA-N"
"60","NCCN1C=C(COCCOCCOCCOCCO)N=N1","[R1]NCCN1C=C(N=N1)COCCOCCOCCOCCO[R2]","318.374","318.190319932","-2.76","22","1","9","2","15","113.88","C13H26N4O5","InChI=1S/C13H26N4O5/c14-1-2-17-11-13(15-16-17)12-22-10-9-21-8-7-20-6-5-19-4-3-18/h11,18H,1-10,12,14H2","CMBXUPPKXOSUED-UHFFFAOYSA-N"
"61","COCC1=CN(CCN)N=N1","[R1]NCCN1C=C(N=N1)COC[R2]","156.189","156.101111004","-1.63","11","1","5","1","4","65.96","C6H12N4O","InChI=1S/C6H12N4O/c1-11-5-6-4-10(3-2-7)9-8-6/h4H,2-3,5,7H2,1H3","XUQZBMLYINPFHS-UHFFFAOYSA-N"
"62","COCCOCC1=CN(CCN)N=N1","[R1]NCCN1C=C(N=N1)COCCOC[R2]","200.242","200.127325752","-1.78","14","1","6","1","7","75.19","C8H16N4O2","InChI=1S/C8H16N4O2/c1-13-4-5-14-7-8-6-12(3-2-9)11-10-8/h6H,2-5,7,9H2,1H3","QPYGOKLPMSIQDN-UHFFFAOYSA-N"
"63","COCCOCCOCC1=CN(CCN)N=N1","[R1]NCCN1C=C(N=N1)COCCOCCOC[R2]","244.295","244.1535405","-1.93","17","1","7","1","10","84.42","C10H20N4O3","InChI=1S/C10H20N4O3/c1-15-4-5-16-6-7-17-9-10-8-14(3-2-11)13-12-10/h8H,2-7,9,11H2,1H3","LDNUXLMZQAVQMX-UHFFFAOYSA-N"
"64","COCCOCCOCCOCC1=CN(CCN)N=N1","[R1]NCCN1C=C(N=N1)COCCOCCOCCOC[R2]","288.348","288.179755248","-2.07","20","1","8","1","13","93.65","C12H24N4O4","InChI=1S/C12H24N4O4/c1-17-4-5-18-6-7-19-8-9-20-11-12-10-16(3-2-13)15-14-12/h10H,2-9,11,13H2,1H3","VDWXNHBISFHPAI-UHFFFAOYSA-N"
"65","COCCOCCOCCOCCOCC1=CN(CCN)N=N1","[R1]NCCN1C=C(N=N1)COCCOCCOCCOCCOC[R2]","332.401","332.205969996","-2.22","23","1","9","1","16","102.88","C14H28N4O5","InChI=1S/C14H28N4O5/c1-19-4-5-20-6-7-21-8-9-22-10-11-23-13-14-12-18(3-2-15)17-16-14/h12H,2-11,13,15H2,1H3","TVAHVEKMLUNMOI-UHFFFAOYSA-N"
"66","CO","[R1]CO[R2]","32.042","32.026214748","-0.46","2","0","1","1","0","20.23","CH4O","InChI=1S/CH4O/c1-2/h2H,1H3","OKKJLVBELUTLKV-UHFFFAOYSA-N"
"67","CCOCCOCCOCCNC(=O)CC","[R1]CCOCCOCCOCCNC(=O)CC[R2]","233.308","233.162708216","-0.06","16","0","4","1","11","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-3-11(13)12-5-6-15-9-10-16-8-7-14-4-2/h3-10H2,1-2H3,(H,12,13)","DQKOWFBYHIENAP-UHFFFAOYSA-N"
"68","CCOCCOCCOCCOCCNC(C)=O","[R1]CCOCCOCCOCCOCCNC(=O)C[R2]","263.334","263.1732729","-0.68","18","0","5","1","13","66.02","C12H25NO5","InChI=1S/C12H25NO5/c1-3-15-6-7-17-10-11-18-9-8-16-5-4-13-12(2)14/h3-11H2,1-2H3,(H,13,14)","ATHNQMOBOHHVGV-UHFFFAOYSA-N"
"69","CCCC1=CN(CCOCCOCCOCCOCC)N=N1","[R1]CCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","315.414","315.215806408","0.59","22","1","7","0","15","67.63","C15H29N3O4","InChI=1S/C15H29N3O4/c1-3-5-15-14-18(17-16-15)6-7-20-10-11-22-13-12-21-9-8-19-4-2/h14H,3-13H2,1-2H3","FCKRLESEKMOAAY-UHFFFAOYSA-N"
"70","CCCC1=CN(CCOCCOCCOCCOCCNC(C)=O)N=N1","[R1]CCCC1=CN(N=N1)CCOCCOCCOCCOCCNC(=O)C[R2]","372.466","372.237270124","-0.46","26","1","8","1","17","96.73","C17H32N4O5","InChI=1S/C17H32N4O5/c1-3-4-17-15-21(20-19-17)6-8-24-10-12-26-14-13-25-11-9-23-7-5-18-16(2)22/h15H,3-14H2,1-2H3,(H,18,22)","LEIGAYMEZRVQMF-UHFFFAOYSA-N"
"71","CCCCOCCOCCOCC","[R1]CCOCCOCCOCCCC[R2]","190.283","190.156894564","1.4","13","0","3","0","10","27.69","C10H22O3","InChI=1S/C10H22O3/c1-3-5-6-12-9-10-13-8-7-11-4-2/h3-10H2,1-2H3","VXVGKMGIPAWMJC-UHFFFAOYSA-N"
"72","CCCCCCOCCCCCOCCCC","[R1]CCCCCCOCCCCCOCCCC[R2]","244.419","244.240230264","4.59","17","0","2","0","14","18.46","C15H32O2","InChI=1S/C15H32O2/c1-3-5-7-9-13-17-15-11-8-10-14-16-12-6-4-2/h3-15H2,1-2H3","BFTNUQIEWVRTCA-UHFFFAOYSA-N"
"73","CCCCCCOCCCCCCOCCCCC","[R1]CCCCCCOCCCCCCOCCCCC[R2]","272.473","272.271530392","5.49","19","0","2","0","16","18.46","C17H36O2","InChI=1S/C17H36O2/c1-3-5-7-11-15-19-17-13-9-8-12-16-18-14-10-6-4-2/h3-17H2,1-2H3","QGMIIQRSLFEZNE-UHFFFAOYSA-N"
"74","CCCCCOCCCCOCCCCOCCCC","[R1]CCCCOCCCCOCCCCOCCCCC[R2]","288.472","288.266445012","4.26","20","0","3","0","17","27.69","C17H36O3","InChI=1S/C17H36O3/c1-3-5-7-13-19-15-10-11-17-20-16-9-8-14-18-12-6-4-2/h3-17H2,1-2H3","ZRZNGCGNHBPEEW-UHFFFAOYSA-N"
"75","CCCCCCOCCOCCOCCOCCOCCOCCCCC","[R1]CCCCCCOCCOCCOCCOCCOCCOCCCCC[R2]","392.577","392.313789128","3.47","27","0","6","0","24","55.38","C21H44O6","InChI=1S/C21H44O6/c1-3-5-7-9-11-23-13-15-25-17-19-27-21-20-26-18-16-24-14-12-22-10-8-6-4-2/h3-21H2,1-2H3","GBTJHLJNCMMVEE-UHFFFAOYSA-N"
"76","CCCCCCOCCCCOCCCCOCCCCOCCCCC","[R1]CCCCCCOCCCCOCCCCOCCCCOCCCCC[R2]","388.633","388.355260016","5.9","27","0","4","0","24","36.92","C23H48O4","InChI=1S/C23H48O4/c1-3-5-7-9-17-25-19-11-13-21-27-23-15-14-22-26-20-12-10-18-24-16-8-6-4-2/h3-23H2,1-2H3","CCRDSFBIFBOEPO-UHFFFAOYSA-N"
"77","CCCOCCOCC","[R1]CCCOCCOCC[R2]","132.203","132.115029752","1.19","9","0","2","0","6","18.46","C7H16O2","InChI=1S/C7H16O2/c1-3-5-9-7-6-8-4-2/h3-7H2,1-2H3","MZBACIJSSOHXQA-UHFFFAOYSA-N"
"78","CCCOCCCOCC","[R1]CCCOCCCOCC[R2]","146.23","146.130679816","1.55","10","0","2","0","7","18.46","C8H18O2","InChI=1S/C8H18O2/c1-3-6-10-8-5-7-9-4-2/h3-8H2,1-2H3","ZFHCEEOJBANLST-UHFFFAOYSA-N"
"79","CCCCOCCCCOC","[R1]CCCCOCCCCOC[R2]","160.257","160.14632988","2.44","11","0","2","0","8","18.46","C9H20O2","InChI=1S/C9H20O2/c1-3-4-8-11-9-6-5-7-10-2/h3-9H2,1-2H3","FBPKXEFBJHBHJN-UHFFFAOYSA-N"
"80","CCCCOCCCC","[R1]CCCCOCCCC[R2]","130.231","130.135765196","2.58","9","0","1","0","6","9.23","C8H18O","InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3","DURPTKYDGMDSBL-UHFFFAOYSA-N"
"81","CCCOCCOCCC","[R1]CCCOCCOCCC[R2]","146.23","146.130679816","1.72","10","0","2","0","7","18.46","C8H18O2","InChI=1S/C8H18O2/c1-3-5-9-7-8-10-6-4-2/h3-8H2,1-2H3","HQSLKNLISLWZQH-UHFFFAOYSA-N"
"82","CCCOCCCOCCC","[R1]CCCOCCCOCCC[R2]","160.257","160.14632988","2.08","11","0","2","0","8","18.46","C9H20O2","InChI=1S/C9H20O2/c1-3-6-10-8-5-9-11-7-4-2/h3-9H2,1-2H3","PZYMDANKTMTEIY-UHFFFAOYSA-N"
"83","CCCCNC(C)=O","[R1]CC(=O)NCCCC[R2]","115.176","115.099714036","0.79","8","0","1","1","3","29.1","C6H13NO","InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)","GYLDXXLJMRTVSS-UHFFFAOYSA-N"
"84","CCCCCCCCNC(C)=O","[R1]CC(=O)NCCCCCCCC[R2]","171.284","171.162314292","2.96","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-11-10(2)12/h3-9H2,1-2H3,(H,11,12)","GLJKLMQZANYKBO-UHFFFAOYSA-N"
"85","CCCCCC=O","[R1]CCCCCC(=O)[R2]","100.161","100.088815004","1.64","7","0","1","0","4","17.07","C6H12O","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3","JARKCYVAAOWBJS-UHFFFAOYSA-N"
"86","CCOCCOCCO","[R1]CCOCCOCCO[R2]","134.175","134.094294308","-0.39","9","0","3","1","6","38.69","C6H14O3","InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3","XXJWXESWEXIICW-UHFFFAOYSA-N"
"87","CCCOCCOCCOCCCNC(C)=O","[R1]CC(=O)NCCCOCCOCCOCCC[R2]","247.335","247.17835828","0.35","17","0","4","1","12","56.79","C12H25NO4","InChI=1S/C12H25NO4/c1-3-6-15-8-10-17-11-9-16-7-4-5-13-12(2)14/h3-11H2,1-2H3,(H,13,14)","FCOSMYXPOFLRFY-UHFFFAOYSA-N"
"88","CCCCCN","[R1]NCCCCC[R2]","87.166","87.104799416","1.08","6","0","1","1","3","26.02","C5H13N","InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3","DPBLXKKOBLCELK-UHFFFAOYSA-N"
"89","CCOC","[R1]CCOC[R2]","60.096","60.057514876","0.45","4","0","1","0","1","9.23","C3H8O","InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","XOBKSJJDNFUZPF-UHFFFAOYSA-N"
"90","CC(=O)NCCOCCOCC(=O)NCCOCCO","[R1]CC(=O)NCCOCCOCC(=O)NCCOCCO[R2]","292.332","292.163436488","-2.24","20","0","6","3","13","106.12","C12H24N2O6","InChI=1S/C12H24N2O6/c1-11(16)13-2-5-19-8-9-20-10-12(17)14-3-6-18-7-4-15/h15H,2-10H2,1H3,(H,13,16)(H,14,17)","CBFGQJLCZYDUKF-UHFFFAOYSA-N"
"91","CC(=O)NCCOCCO","[R1]CC(=O)NCCOCCO[R2]","147.174","147.089543276","-1.29","10","0","3","2","5","58.56","C6H13NO3","InChI=1S/C6H13NO3/c1-6(9)7-2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9)","DJDAFXBIBNKCBR-UHFFFAOYSA-N"
"92","CC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCO","[R1]CC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCO[R2]","437.49","437.2373297","-3.19","30","0","9","4","21","153.68","C18H35N3O9","InChI=1S/C18H35N3O9/c1-16(23)19-2-6-27-10-12-29-15-18(25)21-4-8-28-11-13-30-14-17(24)20-3-7-26-9-5-22/h22H,2-15H2,1H3,(H,19,23)(H,20,24)(H,21,25)","OWOUJOSDJHEXFQ-UHFFFAOYSA-N"
"93","NCCOCCOCCOCCN","[R1]NCCOCCOCCOCCN[R2]","192.259","192.1473925","-2.1","13","0","5","2","10","79.73","C8H20N2O3","InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2","NIQFAJBKEHPUAM-UHFFFAOYSA-N"
"94","COCCCCOCCCOC1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)OCCCOCCCCOC[R2]","253.342","253.167793596","1.99","18","1","4","1","10","53.71","C14H23NO3","InChI=1S/C14H23NO3/c1-16-9-2-3-10-17-11-4-12-18-14-7-5-13(15)6-8-14/h5-8H,2-4,9-12,15H2,1H3","SINCTDJNRNXKAO-UHFFFAOYSA-N"
"95","CCO","[R1]OCC[R2]","46.069","46.041864812","-0.09","3","0","1","1","0","20.23","C2H6O","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","LFQSCWFLJHTTHZ-UHFFFAOYSA-N"
"96","CCOC","[R1]COCC[R2]","60.096","60.057514876","0.45","4","0","1","0","1","9.23","C3H8O","InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","XOBKSJJDNFUZPF-UHFFFAOYSA-N"
"97","CCOCCO","[R1]OCCOCC[R2]","90.122","90.06807956","-0.24","6","0","2","1","3","29.46","C4H10O2","InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","ZNQVEEAIQZEUHB-UHFFFAOYSA-N"
"98","CCOCCOC","[R1]COCCOCC[R2]","104.149","104.083729624","0.3","7","0","2","0","4","18.46","C5H12O2","InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","CAQYAZNFWDDMIT-UHFFFAOYSA-N"
"99","CCOCCOCCO","[R1]OCCOCCOCC[R2]","134.175","134.094294308","-0.39","9","0","3","1","6","38.69","C6H14O3","InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3","XXJWXESWEXIICW-UHFFFAOYSA-N"
"100","CCOCCOCCOCCO","[R1]OCCOCCOCCOCC[R2]","178.228","178.120509056","-0.53","12","0","4","1","9","47.92","C8H18O4","InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3","WFSMVVDJSNMRAR-UHFFFAOYSA-N"
"101","CCOCCOCCOCCOC","[R1]COCCOCCOCCOCC[R2]","192.255","192.13615912","0","13","0","4","0","10","36.92","C9H20O4","InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3","JRRDISHSXWGFRF-UHFFFAOYSA-N"
"102","CCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCC[R2]","222.281","222.146723804","-0.68","15","0","5","1","12","57.15","C10H22O5","InChI=1S/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3","GTAKOUPXIUWZIA-UHFFFAOYSA-N"
"103","CCOCCOCCOCCOCCOC","[R1]COCCOCCOCCOCCOCC[R2]","236.308","236.162373868","-0.15","16","0","5","0","13","46.15","C11H24O5","InChI=1S/C11H24O5/c1-3-13-6-7-15-10-11-16-9-8-14-5-4-12-2/h3-11H2,1-2H3","YZWVMKLQNYGKLJ-UHFFFAOYSA-N"
"104","CCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCC[R2]","266.334","266.172938552","-0.83","18","0","6","1","15","66.38","C12H26O6","InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3","NJRFAMBTWHGSDE-UHFFFAOYSA-N"
"105","CCOCCOCCOCCOCCOCCOC","[R1]COCCOCCOCCOCCOCCOCC[R2]","280.361","280.188588616","-0.29","19","0","6","0","16","55.38","C13H28O6","InChI=1S/C13H28O6/c1-3-15-6-7-17-10-11-19-13-12-18-9-8-16-5-4-14-2/h3-13H2,1-2H3","PJXDGFJDVVVXCY-UHFFFAOYSA-N"
"106","OCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCO[R2]","238.28","238.141638424","-1.73","16","0","6","2","13","77.38","C10H22O6","InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2","JLFNLZLINWHATN-UHFFFAOYSA-N"
"107","OCCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCCO[R2]","282.333","282.167853172","-1.88","19","0","7","2","16","86.61","C12H26O7","InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2","IIRDTKBZINWQAW-UHFFFAOYSA-N"
"108","CCOCCOCCOCCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCCOCCOCCOCC[R2]","307.387","307.199487648","-0.83","21","0","6","1","16","75.25","C14H29NO6","InChI=1S/C14H29NO6/c1-3-17-6-7-19-10-11-21-13-12-20-9-8-18-5-4-15-14(2)16/h3-13H2,1-2H3,(H,15,16)","CUAFPSUETCCBKZ-UHFFFAOYSA-N"
"109","CCNC(C)=O","[R1]CC(=O)NCC[R2]","87.122","87.068413908","-0.09","6","0","1","1","1","29.1","C4H9NO","InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","PMDCZENCAXMSOU-UHFFFAOYSA-N"
"110","CCN1C=C(C)N=N1","[R1]CCN1C=C(N=N1)C[R2]","111.148","111.079647288","0.39","8","1","3","0","1","30.71","C5H9N3","InChI=1S/C5H9N3/c1-3-8-4-5(2)6-7-8/h4H,3H2,1-2H3","MJIOJWXRXDWUBV-UHFFFAOYSA-N"
"111","CCOCCN1C=C(C)N=N1","[R1]CCOCCN1C=C(N=N1)C[R2]","155.201","155.105862036","0.24","11","1","4","0","4","39.94","C7H13N3O","InChI=1S/C7H13N3O/c1-3-11-5-4-10-6-7(2)8-9-10/h6H,3-5H2,1-2H3","ZSUBJILEBOCSPA-UHFFFAOYSA-N"
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"129","CCOCCOCCOCCOCCN1N=NC=C1C=O","[R1]C(=O)C1=CN=NN1CCOCCOCCOCCOCC[R2]","301.343","301.163770836","-0.81","21","1","8","0","14","84.7","C13H23N3O5","InChI=1S/C13H23N3O5/c1-2-18-5-6-20-9-10-21-8-7-19-4-3-16-13(12-17)11-14-15-16/h11-12H,2-10H2,1H3","OFARQSZAAFNSEE-UHFFFAOYSA-N"
"130","CC(=O)NCCOCCOCCN1C=C(CCCC=O)N=N1","[R1]C(=O)CCCC1=CN(N=N1)CCOCCOCCNC(=O)C[R2]","312.37","312.179755248","-1.27","22","1","7","1","13","95.34","C14H24N4O4","InChI=1S/C14H24N4O4/c1-13(20)15-5-8-21-10-11-22-9-6-18-12-14(16-17-18)4-2-3-7-19/h7,12H,2-6,8-11H2,1H3,(H,15,20)","NGHQHEBDKFKOGF-UHFFFAOYSA-N"
"131","CC(=O)NCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2]","286.332","286.164105184","-1.51","20","1","7","1","12","87.5","C12H22N4O4","InChI=1S/C12H22N4O4/c1-12(17)13-3-6-18-8-10-20-11-9-19-7-5-16-4-2-14-15-16/h2,4H,3,5-11H2,1H3,(H,13,17)","HAQDEBRMWUNDNK-UHFFFAOYSA-N"
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"138","COCCOCCOCCO","[R1]OCCOCCOCCOC[R2]","164.201","164.104858992","-0.9","11","0","4","1","8","47.92","C7H16O4","InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3","JLGLQAWTXXGVEM-UHFFFAOYSA-N"
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"141","CCC(=O)NCCCOCCOCCO","[R1]CCC(=O)NCCCOCCOCCO[R2]","219.281","219.147058152","-0.61","15","0","4","2","10","67.79","C10H21NO4","InChI=1S/C10H21NO4/c1-2-10(13)11-4-3-6-14-8-9-15-7-5-12/h12H,2-9H2,1H3,(H,11,13)","ZSOUNYZAIRTFCF-UHFFFAOYSA-N"
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"144","CCCOC","[R1]CCCOC[R2]","74.123","74.07316494","0.97","5","0","1","0","2","9.23","C4H10O","InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","VNKYTQGIUYNRMY-UHFFFAOYSA-N"
"145","CCCOCC","[R1]CCCOCC[R2]","88.15","88.088815004","1.34","6","0","1","0","3","9.23","C5H12O","InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","NVJUHMXYKCUMQA-UHFFFAOYSA-N"
"146","CCCOCCC(=O)NCCO","[R1]CCCOCCC(=O)NCCO[R2]","175.228","175.120843404","-0.46","12","0","3","2","7","58.56","C8H17NO3","InChI=1S/C8H17NO3/c1-2-6-12-7-3-8(11)9-4-5-10/h10H,2-7H2,1H3,(H,9,11)","ZWZRKLRMHPVSCL-UHFFFAOYSA-N"
"147","CCOCCOCCC(=O)NCCO","[R1]CCOCCOCCC(=O)NCCO[R2]","205.254","205.131408088","-1.14","14","0","4","2","9","67.79","C9H19NO4","InChI=1S/C9H19NO4/c1-2-13-7-8-14-6-3-9(12)10-4-5-11/h11H,2-8H2,1H3,(H,10,12)","CGZNNRDCSGZCCN-UHFFFAOYSA-N"
"148","CCOCCOCCOCCOCCC(=O)NCCO","[R1]CCOCCOCCOCCOCCC(=O)NCCO[R2]","293.36","293.183837584","-1.43","20","0","6","2","15","86.25","C13H27NO6","InChI=1S/C13H27NO6/c1-2-17-7-8-19-11-12-20-10-9-18-6-3-13(16)14-4-5-15/h15H,2-12H2,1H3,(H,14,16)","SESQQSBFFNCJEC-UHFFFAOYSA-N"
"149","CCCCCOCCOCC","[R1]CCCCCOCCOCC[R2]","160.257","160.14632988","2.09","11","0","2","0","8","18.46","C9H20O2","InChI=1S/C9H20O2/c1-3-5-6-7-11-9-8-10-4-2/h3-9H2,1-2H3","UOECJVYWINLCEV-UHFFFAOYSA-N"
"150","CCCCCOCCCCOCCCC","[R1]CCCCOCCCCOCCCCC[R2]","216.365","216.208930136","3.69","15","0","2","0","12","18.46","C13H28O2","InChI=1S/C13H28O2/c1-3-5-7-11-15-13-9-8-12-14-10-6-4-2/h3-13H2,1-2H3","BEGITWDDPUIZSL-UHFFFAOYSA-N"
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"154","CCCOCCCOCCC=O","[R1]CCCOCCCOCCC(=O)[R2]","174.24","174.125594436","0.62","12","0","3","0","9","35.53","C9H18O3","InChI=1S/C9H18O3/c1-2-6-11-8-4-9-12-7-3-5-10/h5H,2-4,6-9H2,1H3","DDVUDFQFSHPIKB-UHFFFAOYSA-N"
"155","CCCOCCCOCCC(=O)NCCO","[R1]CCCOCCCOCCC(=O)NCCO[R2]","233.308","233.162708216","-0.25","16","0","4","2","11","67.79","C11H23NO4","InChI=1S/C11H23NO4/c1-2-7-15-8-3-9-16-10-4-11(14)12-5-6-13/h13H,2-10H2,1H3,(H,12,14)","NCLTXMWFZMRLQT-UHFFFAOYSA-N"
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"162","CC1=CN(CCCCCCCCCC=O)N=N1","[R1]CC1=CN(N=N1)CCCCCCCCCC(=O)[R2]","237.347","237.184112356","2.69","17","1","4","0","10","47.78","C13H23N3O","InChI=1S/C13H23N3O/c1-13-12-16(15-14-13)10-8-6-4-2-3-5-7-9-11-17/h11-12H,2-10H2,1H3","WKBRZAASKLMMQP-UHFFFAOYSA-N"
"163","CN(C=O)CCCN(C)C1=CC=C(CCCO)C=C1","[R1]C(=O)N(C)CCCN(C)C1=CC=C(C=C1)CCCO[R2]","264.369","264.183778008","2.39","19","1","3","1","9","43.78","C15H24N2O2","InChI=1S/C15H24N2O2/c1-16(13-19)10-4-11-17(2)15-8-6-14(7-9-15)5-3-12-18/h6-9,13,18H,3-5,10-12H2,1-2H3","UKHJUYQLLMDXPO-UHFFFAOYSA-N"
"164","CCCOCCCCOCCC","[R1]CCCOCCCCOCCC[R2]","174.284","174.161979944","2.43","12","0","2","0","9","18.46","C10H22O2","InChI=1S/C10H22O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-10H2,1-2H3","JNOSBGUMRLGKJN-UHFFFAOYSA-N"
"165","CCCOCCOCCOCCC","[R1]CCCOCCOCCOCCC[R2]","190.283","190.156894564","1.57","13","0","3","0","10","27.69","C10H22O3","InChI=1S/C10H22O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-10H2,1-2H3","BOGFHOWTVGAYFK-UHFFFAOYSA-N"
"166","OCCOCCOCCO","[R1]OCCOCCOCCO[R2]","150.174","150.089208928","-1.44","10","0","4","2","7","58.92","C6H14O4","InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2","ZIBGPFATKBEMQZ-UHFFFAOYSA-N"
"167","O=CNCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCNC(=O)[R2]","204.226","204.111006992","-0.24","14","0","4","2","11","76.66","C8H16N2O4","InChI=1S/C8H16N2O4/c11-7-9-1-3-13-5-6-14-4-2-10-8-12/h7-8H,1-6H2,(H,9,11)(H,10,12)","XIXYICXGUYBZDP-UHFFFAOYSA-N"
"168","CCCCCO","[R1]CCCCCO[R2]","88.15","88.088815004","1.33","6","0","1","1","3","20.23","C5H12O","InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","AMQJEAYHLZJPGS-UHFFFAOYSA-N"
"169","O=CCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCC(=O)[R2]","171.196","171.089543276","-1.3","12","0","3","1","7","63.24","C8H13NO3","InChI=1S/C8H13NO3/c10-6-2-1-5-9-8(12)4-3-7-11/h6-7H,1-5H2,(H,9,12)","SKLRXSCPVXBXCO-UHFFFAOYSA-N"
"170","O=CCCCCCNC(=O)CCC(=O)NCCCC=O","[R1]C(=O)CCCCCNC(=O)CCC(=O)NCCCC(=O)[R2]","284.356","284.173607248","-0.98","20","0","4","2","13","92.34","C14H24N2O4","InChI=1S/C14H24N2O4/c17-11-5-2-1-3-9-15-13(19)7-8-14(20)16-10-4-6-12-18/h11-12H,1-10H2,(H,15,19)(H,16,20)","LKWKWZFHIXKOEG-UHFFFAOYSA-N"
"171","O=CCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCC(=O)[R2]","199.25","199.120843404","-0.59","14","0","3","1","9","63.24","C10H17NO3","InChI=1S/C10H17NO3/c12-8-4-2-1-3-7-11-10(14)6-5-9-13/h8-9H,1-7H2,(H,11,14)","HQPRYQBUTVJJOR-UHFFFAOYSA-N"
"172","CC1=CN(CCCC=O)N=N1","[R1]CC1=CN(N=N1)CCCC(=O)[R2]","153.185","153.090211972","-0.19","11","1","4","0","4","47.78","C7H11N3O","InChI=1S/C7H11N3O/c1-7-6-10(9-8-7)4-2-3-5-11/h5-6H,2-4H2,1H3","LIZRSROCAZLHER-UHFFFAOYSA-N"
"173","CCCCCCN","[R1]NCCCCCC[R2]","101.193","101.12044948","1.62","7","0","1","1","4","26.02","C6H15N","InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3","BMVXCPBXGZKUPN-UHFFFAOYSA-N"
"174","CCCCN","[R1]NCCCC[R2]","73.139","73.089149352","0.54","5","0","1","1","2","26.02","C4H11N","InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3","HQABUPZFAYXKJW-UHFFFAOYSA-N"
"175","CCOCCN","[R1]NCCOCC[R2]","89.138","89.084063972","-0.5","6","0","2","1","3","35.25","C4H11NO","InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3","BPGIOCZAQDIBPI-UHFFFAOYSA-N"
"176","CCCOCCCN","[R1]NCCCOCCC[R2]","117.192","117.1153641","0.39","8","0","2","1","5","35.25","C6H15NO","InChI=1S/C6H15NO/c1-2-5-8-6-3-4-7/h2-7H2,1H3","UTOXFQVLOTVLSD-UHFFFAOYSA-N"
"177","CCCCOCCN","[R1]NCCOCCCC[R2]","117.192","117.1153641","0.39","8","0","2","1","5","35.25","C6H15NO","InChI=1S/C6H15NO/c1-2-3-5-8-6-4-7/h2-7H2,1H3","BFBKUYFMLNOLOQ-UHFFFAOYSA-N"
"178","CCCCCCOCCOCCOCCCCCC=O","[R1]CCCCCCOCCOCCOCCCCCC(=O)[R2]","288.428","288.230059504","2.62","20","0","4","0","17","44.76","C16H32O4","InChI=1S/C16H32O4/c1-2-3-4-8-11-18-13-15-20-16-14-19-12-9-6-5-7-10-17/h10H,2-9,11-16H2,1H3","KADLFJHSNYQITD-UHFFFAOYSA-N"
"179","CCCCCCOCCCCCOCCCCCC=O","[R1]CCCCCCOCCCCCOCCCCCC(=O)[R2]","286.456","286.250794948","3.84","20","0","3","0","17","35.53","C17H34O3","InChI=1S/C17H34O3/c1-2-3-4-9-14-19-16-11-7-12-17-20-15-10-6-5-8-13-18/h13H,2-12,14-17H2,1H3","FBKPSQUKFDEYMJ-UHFFFAOYSA-N"
"180","CCCCCCOCCOCCOCCOCCOCCOCC=O","[R1]CCCCCCOCCOCCOCCOCCOCCOCC(=O)[R2]","364.479","364.246103492","1.21","25","0","7","0","22","72.45","C18H36O7","InChI=1S/C18H36O7/c1-2-3-4-5-7-20-9-11-22-13-15-24-17-18-25-16-14-23-12-10-21-8-6-19/h6H,2-5,7-18H2,1H3","YSWVYWOXYLIZEF-UHFFFAOYSA-N"
"181","CCCCCCOCCOC","[R1]CCCCCCOCCOC[R2]","160.257","160.14632988","2.27","11","0","2","0","8","18.46","C9H20O2","InChI=1S/C9H20O2/c1-3-4-5-6-7-11-9-8-10-2/h3-9H2,1-2H3","RVDZRFYFUCWKPB-UHFFFAOYSA-N"
"182","CCCCCCOCCOCCOCCCCC","[R1]CCCCCCOCCOCCOCCCCC[R2]","260.418","260.235144884","3.91","18","0","3","0","15","27.69","C15H32O3","InChI=1S/C15H32O3/c1-3-5-7-9-11-17-13-15-18-14-12-16-10-8-6-4-2/h3-15H2,1-2H3","HQOQXJPHOPMXDY-UHFFFAOYSA-N"
"183","CCCCCCOCCCCCOCCCCC","[R1]CCCCCCOCCCCCOCCCCC[R2]","258.446","258.255880328","5.13","18","0","2","0","15","18.46","C16H34O2","InChI=1S/C16H34O2/c1-3-5-7-10-14-18-16-12-8-11-15-17-13-9-6-4-2/h3-16H2,1-2H3","KDUUQQCQQVVSBB-UHFFFAOYSA-N"
"184","CCCCCCOCCOCCOCCOCCOCCOC","[R1]CCCCCCOCCOCCOCCOCCOCCOC[R2]","336.469","336.251188872","1.67","23","0","6","0","20","55.38","C17H36O6","InChI=1S/C17H36O6/c1-3-4-5-6-7-19-10-11-21-14-15-23-17-16-22-13-12-20-9-8-18-2/h3-17H2,1-2H3","CNLOXGUTRGRTFZ-UHFFFAOYSA-N"
"185","COCCCOCCN","[R1]NCCOCCCOC[R2]","133.191","133.11027872","-0.65","9","0","3","1","6","44.48","C6H15NO2","InChI=1S/C6H15NO2/c1-8-4-2-5-9-6-3-7/h2-7H2,1H3","FELLHWJAUQSSNB-UHFFFAOYSA-N"
"186","NCCCCNC(=O)CO","[R1]NCCCCNC(=O)CO[R2]","146.19","146.105527688","-1.34","10","0","3","3","5","75.35","C6H14N2O2","InChI=1S/C6H14N2O2/c7-3-1-2-4-8-6(10)5-9/h9H,1-5,7H2,(H,8,10)","AKNMVWRGOGXKKH-UHFFFAOYSA-N"
"187","O=CCCC(=O)NCCCCNC(=O)CO","[R1]C(=O)CCC(=O)NCCCCNC(=O)CO[R2]","230.264","230.126657056","-1.72","16","0","4","3","9","95.5","C10H18N2O4","InChI=1S/C10H18N2O4/c13-7-3-4-9(15)11-5-1-2-6-12-10(16)8-14/h7,14H,1-6,8H2,(H,11,15)(H,12,16)","TZEKEZIWKZSWOI-UHFFFAOYSA-N"
"188","O=CCCC(=O)NCCCOCCOCCOCCCNC(=O)CO","[R1]C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CO[R2]","362.423","362.2053013","-2.16","25","0","7","3","18","123.19","C16H30N2O7","InChI=1S/C16H30N2O7/c19-7-1-4-15(21)17-5-2-8-23-10-12-25-13-11-24-9-3-6-18-16(22)14-20/h7,20H,1-6,8-14H2,(H,17,21)(H,18,22)","FHOBUEQAJHGQQA-UHFFFAOYSA-N"
"189","COCCOCCOCCOCCN","[R1]NCCOCCOCCOCCOC[R2]","207.27","207.147058152","-1.3","14","0","5","1","11","62.94","C9H21NO4","InChI=1S/C9H21NO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-10H2,1H3","DQTQYVYXIOQYGN-UHFFFAOYSA-N"
"190","COCCOCCOCCNC(C)=O","[R1]COCCOCCOCCNC(=O)C[R2]","205.254","205.131408088","-0.9","14","0","4","1","9","56.79","C9H19NO4","InChI=1S/C9H19NO4/c1-9(11)10-3-4-13-7-8-14-6-5-12-2/h3-8H2,1-2H3,(H,10,11)","IOEHUBKJBRVLHW-UHFFFAOYSA-N"
"191","NCCCCCCCCNC(=O)CO","[R1]NCCCCCCCCNC(=O)CO[R2]","202.298","202.168127944","0.46","14","0","3","3","9","75.35","C10H22N2O2","InChI=1S/C10H22N2O2/c11-7-5-3-1-2-4-6-8-12-10(14)9-13/h13H,1-9,11H2,(H,12,14)","YRHIKLITYIBTQJ-UHFFFAOYSA-N"
"192","NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CO","[R1]NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CO[R2]","514.613","514.310160292","-3.38","35","0","12","3","30","158.42","C22H46N2O11","InChI=1S/C22H46N2O11/c23-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-24-22(26)21-25/h25H,1-21,23H2,(H,24,26)","GGPNIVAICDTPRA-UHFFFAOYSA-N"
"193","CCN","[R1]NCC[R2]","45.085","45.057849224","-0.35","3","0","1","1","0","26.02","C2H7N","InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3","QUSNBJAOOMFDIB-UHFFFAOYSA-N"
"194","NCCO","[R1]NCCO[R2]","61.084","61.052763844","-1.4","4","0","2","2","1","46.25","C2H7NO","InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2","HZAXFHJVJLSVMW-UHFFFAOYSA-N"
"195","NCCCCCCCCO","[R1]NCCCCCCCCO[R2]","145.246","145.146664228","1.11","10","0","2","2","7","46.25","C8H19NO","InChI=1S/C8H19NO/c9-7-5-3-1-2-4-6-8-10/h10H,1-9H2","WDCOJSGXSPGNFK-UHFFFAOYSA-N"
"196","CCCN","[R1]NCCC[R2]","59.112","59.073499288","0.18","4","0","1","1","1","26.02","C3H9N","InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3","WGYKZJWCGVVSQN-UHFFFAOYSA-N"
"197","C#CC1CN(C2CCNCC2)C1","[R1]C#CC1CN(C1)C2CCN(CC2)[R2]","164.252","164.131348512","0.53","12","2","2","1","1","15.27","C10H16N2","InChI=1S/C10H16N2/c1-2-9-7-12(8-9)10-3-5-11-6-4-10/h1,9-11H,3-8H2","KJXOBLQLPXCXFC-UHFFFAOYSA-N"
"198","C#CC1CCN(C2CNC2)CC1","[R1]C#CC1CCN(CC1)C2CN(C2)[R2]","164.252","164.131348512","0.53","12","2","2","1","1","15.27","C10H16N2","InChI=1S/C10H16N2/c1-2-9-3-5-12(6-4-9)10-7-11-8-10/h1,9-11H,3-8H2","NPMKYYQTCFIXHK-UHFFFAOYSA-N"
"199","C#CC1CCNCC1","[R1]C#CC1CCN(CC1)[R2]","109.172","109.089149352","0.65","8","1","1","1","0","12.03","C7H11N","InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h1,7-8H,3-6H2","FWOORBMXLUBSEV-UHFFFAOYSA-N"
"200","C1CC(C2CNC2)CCN1","[R1]N1CC(C1)C2CCN(CC2)[R2]","140.23","140.131348512","0.14","10","2","2","2","1","24.06","C8H16N2","InChI=1S/C8H16N2/c1-3-9-4-2-7(1)8-5-10-6-8/h7-10H,1-6H2","BXGJTOWQMBDJGT-UHFFFAOYSA-N"
"201","C1CN(C2CCNCC2)C1","[R1]C1CN(C1)C2CCN(CC2)[R2]","140.23","140.131348512","0.52","10","2","2","1","1","15.27","C8H16N2","InChI=1S/C8H16N2/c1-6-10(7-1)8-2-4-9-5-3-8/h8-9H,1-7H2","DDOFLXMWWKLMSZ-UHFFFAOYSA-N"
"202","C1CCNCC1","[R1]C1CCN(CC1)[R2]","85.15","85.089149352","0.64","6","1","1","1","0","12.03","C5H11N","InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2","NQRYJNQNLNOLGT-UHFFFAOYSA-N"
"203","C1CNCCN1","[R1]N1CCN(CC1)[R2]","86.138","86.08439832","-0.86","6","1","2","2","0","24.06","C4H10N2","InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2","GLUUGHFHXGJENI-UHFFFAOYSA-N"
"204","CCCNC(C)=O","[R1]CC(=O)NCCC[R2]","101.149","101.084063972","0.43","7","0","1","1","2","29.1","C5H11NO","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","IHPHPGLJYCDONF-UHFFFAOYSA-N"
"205","CCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCC[R2]","199.254","199.132076784","0.09","14","1","5","0","7","49.17","C9H17N3O2","InChI=1S/C9H17N3O2/c1-3-13-6-7-14-5-4-12-8-9(2)10-11-12/h8H,3-7H2,1-2H3","IUKAVXDFGYPRJN-UHFFFAOYSA-N"
"206","CCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCC[R2]","243.307","243.158291532","-0.05","17","1","6","0","10","58.4","C11H21N3O3","InChI=1S/C11H21N3O3/c1-3-15-6-7-17-9-8-16-5-4-14-10-11(2)12-13-14/h10H,3-9H2,1-2H3","XYQHQTXKPLBAMW-UHFFFAOYSA-N"
"207","CCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","287.36","287.18450628","-0.2","20","1","7","0","13","67.63","C13H25N3O4","InChI=1S/C13H25N3O4/c1-3-17-6-7-19-10-11-20-9-8-18-5-4-16-12-13(2)14-15-16/h12H,3-11H2,1-2H3","YHUVOJYLWJUSCL-UHFFFAOYSA-N"
"208","CCOCCNC(C)=O","[R1]CC(=O)NCCOCC[R2]","131.175","131.094628656","-0.24","9","0","2","1","4","38.33","C6H13NO2","InChI=1S/C6H13NO2/c1-3-9-5-4-7-6(2)8/h3-5H2,1-2H3,(H,7,8)","VNVZKKJQVMBZNN-UHFFFAOYSA-N"
"209","CCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCC[R2]","175.228","175.120843404","-0.39","12","0","3","1","7","47.56","C8H17NO3","InChI=1S/C8H17NO3/c1-3-11-6-7-12-5-4-9-8(2)10/h3-7H2,1-2H3,(H,9,10)","XENYNHWLGLZAAS-UHFFFAOYSA-N"
"210","CCOCCOCCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCCOCCOCC[R2]","263.334","263.1732729","-0.68","18","0","5","1","13","66.02","C12H25NO5","InChI=1S/C12H25NO5/c1-3-15-6-7-17-10-11-18-9-8-16-5-4-13-12(2)14/h3-11H2,1-2H3,(H,13,14)","ATHNQMOBOHHVGV-UHFFFAOYSA-N"
"211","CCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCC[R2]","155.201","155.105862036","0.24","11","1","4","0","4","39.94","C7H13N3O","InChI=1S/C7H13N3O/c1-3-11-5-4-10-6-7(2)8-9-10/h6H,3-5H2,1-2H3","ZSUBJILEBOCSPA-UHFFFAOYSA-N"
"212","CCCCCNC(C)=O","[R1]CC(=O)NCCCCC[R2]","129.203","129.1153641","1.33","9","0","1","1","4","29.1","C7H15NO","InChI=1S/C7H15NO/c1-3-4-5-6-8-7(2)9/h3-6H2,1-2H3,(H,8,9)","PTBCMKWBUAWWMQ-UHFFFAOYSA-N"
"213","CCCCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCCCC[R2]","153.229","153.12659748","1.82","11","1","3","0","4","30.71","C8H15N3","InChI=1S/C8H15N3/c1-3-4-5-6-11-7-8(2)9-10-11/h7H,3-6H2,1-2H3","NGPORLBABXGWLK-UHFFFAOYSA-N"
"214","CCCCCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCCCCC[R2]","167.256","167.142247544","2.36","12","1","3","0","5","30.71","C9H17N3","InChI=1S/C9H17N3/c1-3-4-5-6-7-12-8-9(2)10-11-12/h8H,3-7H2,1-2H3","WQWGJNYVTILRSK-UHFFFAOYSA-N"
"215","CCOCCN1C=C(C=O)N=N1","[R1]C(=O)C1=CN(N=N1)CCOCC[R2]","169.184","169.085126592","-0.36","12","1","5","0","5","57.01","C7H11N3O2","InChI=1S/C7H11N3O2/c1-2-12-4-3-10-5-7(6-11)8-9-10/h5-6H,2-4H2,1H3","BUTDPEQHKNRYSQ-UHFFFAOYSA-N"
"216","CCOCCN1C=C(CC=O)N=N1","[R1]C(=O)CC1=CN(N=N1)CCOCC[R2]","183.211","183.100776656","-0.72","13","1","5","0","6","57.01","C8H13N3O2","InChI=1S/C8H13N3O2/c1-2-13-6-4-11-7-8(3-5-12)9-10-11/h5,7H,2-4,6H2,1H3","MLQKFJRBGXZNPJ-UHFFFAOYSA-N"
"217","CCCN1C=C(CCC=O)N=N1","[R1]C(=O)CCC1=CN(N=N1)CCC[R2]","167.212","167.105862036","0.25","12","1","4","0","5","47.78","C8H13N3O","InChI=1S/C8H13N3O/c1-2-5-11-7-8(9-10-11)4-3-6-12/h6-7H,2-5H2,1H3","COBLXHJSQAZDEI-UHFFFAOYSA-N"
"218","CCN1C=C(CCCC=O)N=N1","[R1]C(=O)CCCC1=CN(N=N1)CC[R2]","167.212","167.105862036","0.08","12","1","4","0","5","47.78","C8H13N3O","InChI=1S/C8H13N3O/c1-2-11-7-8(9-10-11)5-3-4-6-12/h6-7H,2-5H2,1H3","UEEFSVRERBYXAS-UHFFFAOYSA-N"
"219","C#CCCCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCCCC#C[R2]","163.224","163.110947416","1.31","12","1","3","0","4","30.71","C9H13N3","InChI=1S/C9H13N3/c1-3-4-5-6-7-12-8-9(2)10-11-12/h1,8H,4-7H2,2H3","GCTIRBGRXALNIU-UHFFFAOYSA-N"
"220","C#CCCCCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCCCCC#C[R2]","177.251","177.12659748","1.85","13","1","3","0","5","30.71","C10H15N3","InChI=1S/C10H15N3/c1-3-4-5-6-7-8-13-9-10(2)11-12-13/h1,9H,4-8H2,2H3","WZKZKIJGBGNPDU-UHFFFAOYSA-N"
"221","CCOCCOCCOCCOCCOCC","[R1]CCOCCOCCOCCOCCOCC[R2]","250.335","250.178023932","0.22","17","0","5","0","14","46.15","C12H26O5","InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3","HYDWALOBQJFOMS-UHFFFAOYSA-N"
"222","CCOCCOCCOCCOCCOCCOCC","[R1]CCOCCOCCOCCOCCOCCOCC[R2]","294.388","294.20423868","0.07","20","0","6","0","17","55.38","C14H30O6","InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3","IXFAFGFZFQHRLB-UHFFFAOYSA-N"
"223","CC(=O)NCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCNC(=O)C[R2]","212.253","212.127325752","-0.81","15","1","5","1","6","69.04","C9H16N4O2","InChI=1S/C9H16N4O2/c1-8-7-13(12-11-8)4-6-15-5-3-10-9(2)14/h7H,3-6H2,1-2H3,(H,10,14)","QPHBYCZOFUQLRX-UHFFFAOYSA-N"
"224","CC(=O)NCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCNC(=O)C[R2]","256.306","256.1535405","-0.96","18","1","6","1","9","78.27","C11H20N4O3","InChI=1S/C11H20N4O3/c1-10-9-15(14-13-10)4-6-18-8-7-17-5-3-12-11(2)16/h9H,3-8H2,1-2H3,(H,12,16)","MCKJFZJLSFEXGY-UHFFFAOYSA-N"
"225","CC(=O)NCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2]","300.359","300.179755248","-1.11","21","1","7","1","12","87.5","C13H24N4O4","InChI=1S/C13H24N4O4/c1-12-11-17(16-15-12)4-6-20-8-10-21-9-7-19-5-3-14-13(2)18/h11H,3-10H2,1-2H3,(H,14,18)","XFNSODNPEBFOCR-UHFFFAOYSA-N"
"226","CCC(=O)NCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCNC(=O)CC[R2]","226.28","226.142975816","-0.34","16","1","5","1","7","69.04","C10H18N4O2","InChI=1S/C10H18N4O2/c1-3-10(15)11-4-6-16-7-5-14-8-9(2)12-13-14/h8H,3-7H2,1-2H3,(H,11,15)","XWAFIJZKAUTKLW-UHFFFAOYSA-N"
"227","CCC(=O)NCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCNC(=O)CC[R2]","270.333","270.169190564","-0.49","19","1","6","1","10","78.27","C12H22N4O3","InChI=1S/C12H22N4O3/c1-3-12(17)13-4-6-18-8-9-19-7-5-16-10-11(2)14-15-16/h10H,3-9H2,1-2H3,(H,13,17)","AITLBNIGQBURHS-UHFFFAOYSA-N"
"228","CCC(=O)NCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCNC(=O)CC[R2]","314.386","314.195405312","-0.63","22","1","7","1","13","87.5","C14H26N4O4","InChI=1S/C14H26N4O4/c1-3-14(19)15-4-6-20-8-10-22-11-9-21-7-5-18-12-13(2)16-17-18/h12H,3-11H2,1-2H3,(H,15,19)","QZSYXQTZEQRRLH-UHFFFAOYSA-N"
"229","CCC(=O)NCCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCCNC(=O)CC[R2]","358.439","358.22162006","-0.78","25","1","8","1","16","96.73","C16H30N4O5","InChI=1S/C16H30N4O5/c1-3-16(21)17-4-6-22-8-10-24-12-13-25-11-9-23-7-5-20-14-15(2)18-19-20/h14H,3-13H2,1-2H3,(H,17,21)","CJTNAYUHLNOBKI-UHFFFAOYSA-N"
"230","CC1=CN(CCOCCN)N=N1","[R1]CC1=CN(N=N1)CCOCCN[R2]","170.216","170.116761068","-1.07","12","1","5","1","5","65.96","C7H14N4O","InChI=1S/C7H14N4O/c1-7-6-11(10-9-7)3-5-12-4-2-8/h6H,2-5,8H2,1H3","QHVJBCXMEZEORX-UHFFFAOYSA-N"
"231","CC1=CN(CCOCCOCCN)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCN[R2]","214.269","214.142975816","-1.21","15","1","6","1","8","75.19","C9H18N4O2","InChI=1S/C9H18N4O2/c1-9-8-13(12-11-9)3-5-15-7-6-14-4-2-10/h8H,2-7,10H2,1H3","FOAMGHKADZQZHG-UHFFFAOYSA-N"
"232","CC1=CN(CCOCCOCCOCCN)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCN[R2]","258.322","258.169190564","-1.36","18","1","7","1","11","84.42","C11H22N4O3","InChI=1S/C11H22N4O3/c1-11-10-15(14-13-11)3-5-17-7-9-18-8-6-16-4-2-12/h10H,2-9,12H2,1H3","LXUHWBGKFLKKKF-UHFFFAOYSA-N"
"233","CC1=CN(CCOCCOCCOCCOCCN)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCCN[R2]","302.375","302.195405312","-1.51","21","1","8","1","14","93.65","C13H26N4O4","InChI=1S/C13H26N4O4/c1-13-12-17(16-15-13)3-5-19-7-9-21-11-10-20-8-6-18-4-2-14/h12H,2-11,14H2,1H3","SBUPHHQGPCNIGC-UHFFFAOYSA-N"
"234","CCC(=O)NCCOCCOCCOC","[R1]CCC(=O)NCCOCCOCCOC[R2]","219.281","219.147058152","-0.43","15","0","4","1","10","56.79","C10H21NO4","InChI=1S/C10H21NO4/c1-3-10(12)11-4-5-14-8-9-15-7-6-13-2/h3-9H2,1-2H3,(H,11,12)","URKSSMOBHOURQG-UHFFFAOYSA-N"
"235","CCC(=O)NCCOCCOCCOCCOC","[R1]CCC(=O)NCCOCCOCCOCCOC[R2]","263.334","263.1732729","-0.58","18","0","5","1","13","66.02","C12H25NO5","InChI=1S/C12H25NO5/c1-3-12(14)13-4-5-16-8-9-18-11-10-17-7-6-15-2/h3-11H2,1-2H3,(H,13,14)","VHRWXKFRKRROGZ-UHFFFAOYSA-N"
"236","COCCOCCOCCNC(=O)CO","[R1]OCC(=O)NCCOCCOCCOC[R2]","221.253","221.126322708","-1.56","15","0","5","2","10","77.02","C9H19NO5","InChI=1S/C9H19NO5/c1-13-4-5-15-7-6-14-3-2-10-9(12)8-11/h11H,2-8H2,1H3,(H,10,12)","QALSNBOYMNJLAA-UHFFFAOYSA-N"
"237","COCCOCCOCCOCCNC(=O)CO","[R1]OCC(=O)NCCOCCOCCOCCOC[R2]","265.306","265.152537456","-1.7","18","0","6","2","13","86.25","C11H23NO6","InChI=1S/C11H23NO6/c1-15-4-5-17-8-9-18-7-6-16-3-2-12-11(14)10-13/h13H,2-10H2,1H3,(H,12,14)","QIHZDIJVVMWURU-UHFFFAOYSA-N"
"238","COCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOC[R2]","191.227","191.115758024","-0.3","13","0","4","1","10","56.79","C8H17NO4","InChI=1S/C8H17NO4/c1-11-4-5-13-7-6-12-3-2-9-8-10/h8H,2-7H2,1H3,(H,9,10)","WBXRGXRTHMHNQH-UHFFFAOYSA-N"
"239","COCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOC[R2]","235.28","235.141972772","-0.45","16","0","5","1","13","66.02","C10H21NO5","InChI=1S/C10H21NO5/c1-13-4-5-15-8-9-16-7-6-14-3-2-11-10-12/h10H,2-9H2,1H3,(H,11,12)","RVVXLQFQZBAHEU-UHFFFAOYSA-N"
"240","CNCCOCCOCCOC","[R1]CNCCOCCOCCOC[R2]","177.244","177.136493468","-0.65","12","0","4","1","9","39.72","C8H19NO3","InChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3","XOTTZADIXWMSNG-UHFFFAOYSA-N"
"241","CNCCOCCOCCOCCOC","[R1]CNCCOCCOCCOCCOC[R2]","221.297","221.162708216","-0.79","15","0","5","1","12","48.95","C10H23NO4","InChI=1S/C10H23NO4/c1-11-3-4-13-7-8-15-10-9-14-6-5-12-2/h11H,3-10H2,1-2H3","OCYLGYGLYZJUGM-UHFFFAOYSA-N"
"242","COCCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCCOC[R2]","205.254","205.131408088","-0.9","14","0","4","1","9","56.79","C9H19NO4","InChI=1S/C9H19NO4/c1-9(11)10-3-4-13-7-8-14-6-5-12-2/h3-8H2,1-2H3,(H,10,11)","IOEHUBKJBRVLHW-UHFFFAOYSA-N"
"243","COCCOCCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCCOCCOC[R2]","249.307","249.157622836","-1.05","17","0","5","1","12","66.02","C11H23NO5","InChI=1S/C11H23NO5/c1-11(13)12-3-4-15-7-8-17-10-9-16-6-5-14-2/h3-10H2,1-2H3,(H,12,13)","YKUZVFLJHLWLIY-UHFFFAOYSA-N"
"244","O=CCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCC(=O)[R2]","219.237","219.110672644","-0.77","15","0","5","1","12","73.86","C9H17NO5","InChI=1S/C9H17NO5/c11-2-4-14-6-8-15-7-5-13-3-1-10-9-12/h2,9H,1,3-8H2,(H,10,12)","BCTUXHHLONLIIU-UHFFFAOYSA-N"
"245","O=CCOCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOCC(=O)[R2]","263.29","263.136887392","-0.92","18","0","6","1","15","83.09","C11H21NO6","InChI=1S/C11H21NO6/c13-2-4-16-6-8-18-10-9-17-7-5-15-3-1-12-11-14/h2,11H,1,3-10H2,(H,12,14)","WRZPPQPGUIFVIT-UHFFFAOYSA-N"
"246","CNCCOCCOCCOCC=O","[R1]CNCCOCCOCCOCC(=O)[R2]","205.254","205.131408088","-1.12","14","0","5","1","11","56.79","C9H19NO4","InChI=1S/C9H19NO4/c1-10-2-4-12-6-8-14-9-7-13-5-3-11/h3,10H,2,4-9H2,1H3","PXLLLGLWNQABNB-UHFFFAOYSA-N"
"247","CNCCOCCOCCOCCOCC=O","[R1]CNCCOCCOCCOCCOCC(=O)[R2]","249.307","249.157622836","-1.26","17","0","6","1","14","66.02","C11H23NO5","InChI=1S/C11H23NO5/c1-12-2-4-14-6-8-16-10-11-17-9-7-15-5-3-13/h3,12H,2,4-11H2,1H3","JBSBLUUBPFMTTH-UHFFFAOYSA-N"
"248","CC(=O)NCCOCCOCCOCC=O","[R1]CC(=O)NCCOCCOCCOCC(=O)[R2]","233.264","233.126322708","-1.37","16","0","5","1","11","73.86","C10H19NO5","InChI=1S/C10H19NO5/c1-10(13)11-2-4-14-6-8-16-9-7-15-5-3-12/h3H,2,4-9H2,1H3,(H,11,13)","HQUQFJSZJHNHQH-UHFFFAOYSA-N"
"249","CC(=O)NCCOCCOCCOCCOCC=O","[R1]CC(=O)NCCOCCOCCOCCOCC(=O)[R2]","277.317","277.152537456","-1.52","19","0","6","1","14","83.09","C12H23NO6","InChI=1S/C12H23NO6/c1-12(15)13-2-4-16-6-8-18-10-11-19-9-7-17-5-3-14/h3H,2,4-11H2,1H3,(H,13,15)","ZZKRGZDUJWNBDH-UHFFFAOYSA-N"
"250","CCC(=O)NCCOCCOCCOCC=O","[R1]CCC(=O)NCCOCCOCCOCC(=O)[R2]","247.291","247.141972772","-0.9","17","0","5","1","12","73.86","C11H21NO5","InChI=1S/C11H21NO5/c1-2-11(14)12-3-5-15-7-9-17-10-8-16-6-4-13/h4H,2-3,5-10H2,1H3,(H,12,14)","UFYKRLZOLKHWOC-UHFFFAOYSA-N"
"251","CCC(=O)NCCOCCOCCOCCOCC=O","[R1]CCC(=O)NCCOCCOCCOCCOCC(=O)[R2]","291.344","291.16818752","-1.05","20","0","6","1","15","83.09","C13H25NO6","InChI=1S/C13H25NO6/c1-2-13(16)14-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h4H,2-3,5-12H2,1H3,(H,14,16)","YQFLFBLMNIYTOX-UHFFFAOYSA-N"
"252","O=CCOCCOCCOCCNC(=O)CO","[R1]OCC(=O)NCCOCCOCCOCC(=O)[R2]","249.263","249.121237328","-2.02","17","0","6","2","12","94.09","C10H19NO6","InChI=1S/C10H19NO6/c12-2-4-16-6-8-17-7-5-15-3-1-11-10(14)9-13/h2,13H,1,3-9H2,(H,11,14)","RWBADFLVOPAZFF-UHFFFAOYSA-N"
"253","O=CCOCCOCCOCCOCCNC(=O)CO","[R1]OCC(=O)NCCOCCOCCOCCOCC(=O)[R2]","293.316","293.147452076","-2.17","20","0","7","2","15","103.32","C12H23NO7","InChI=1S/C12H23NO7/c14-2-4-18-6-8-20-10-9-19-7-5-17-3-1-13-12(16)11-15/h2,15H,1,3-11H2,(H,13,16)","LYRYAVFGHCODDF-UHFFFAOYSA-N"
"254","O=CNCCOCCOCCOCCO","[R1]C(=O)NCCOCCOCCOCCO[R2]","221.253","221.126322708","-0.98","15","0","5","2","12","77.02","C9H19NO5","InChI=1S/C9H19NO5/c11-2-4-14-6-8-15-7-5-13-3-1-10-9-12/h9,11H,1-8H2,(H,10,12)","APICKUFCNMZSLX-UHFFFAOYSA-N"
"255","O=CNCCOCCOCCOCCOCCOCCO","[R1]C(=O)NCCOCCOCCOCCOCCOCCO[R2]","309.359","309.178752204","-1.28","21","0","7","2","18","95.48","C13H27NO7","InChI=1S/C13H27NO7/c15-2-4-18-6-8-20-10-12-21-11-9-19-7-5-17-3-1-14-13-16/h13,15H,1-12H2,(H,14,16)","NJLZVMKIWZVWFY-UHFFFAOYSA-N"
"256","CNCCOCCOCCOCCOCCOCCO","[R1]CNCCOCCOCCOCCOCCOCCO[R2]","295.376","295.199487648","-1.63","20","0","7","2","17","78.41","C13H29NO6","InChI=1S/C13H29NO6/c1-14-2-4-16-6-8-18-10-12-20-13-11-19-9-7-17-5-3-15/h14-15H,2-13H2,1H3","RDQINYCFOSDCHI-UHFFFAOYSA-N"
"257","CNCCOCCOCCOCCO","[R1]CNCCOCCOCCOCCO[R2]","207.27","207.147058152","-1.33","14","0","5","2","11","59.95","C9H21NO4","InChI=1S/C9H21NO4/c1-10-2-4-12-6-8-14-9-7-13-5-3-11/h10-11H,2-9H2,1H3","JBLOFIJEJSEJCB-UHFFFAOYSA-N"
"258","CC(=O)NCCOCCOCCOCCO","[R1]CC(=O)NCCOCCOCCOCCO[R2]","235.28","235.141972772","-1.59","16","0","5","2","11","77.02","C10H21NO5","InChI=1S/C10H21NO5/c1-10(13)11-2-4-14-6-8-16-9-7-15-5-3-12/h12H,2-9H2,1H3,(H,11,13)","SLDVGISICCQBOZ-UHFFFAOYSA-N"
"259","CC(=O)NCCOCCOCCOCCOCCOCCO","[R1]CC(=O)NCCOCCOCCOCCOCCOCCO[R2]","323.386","323.194402268","-1.88","22","0","7","2","17","95.48","C14H29NO7","InChI=1S/C14H29NO7/c1-14(17)15-2-4-18-6-8-20-10-12-22-13-11-21-9-7-19-5-3-16/h16H,2-13H2,1H3,(H,15,17)","UTWLXLUBBXONPL-UHFFFAOYSA-N"
"260","CCC(=O)NCCOCCOCCOCCO","[R1]CCC(=O)NCCOCCOCCOCCO[R2]","249.307","249.157622836","-1.12","17","0","5","2","12","77.02","C11H23NO5","InChI=1S/C11H23NO5/c1-2-11(14)12-3-5-15-7-9-17-10-8-16-6-4-13/h13H,2-10H2,1H3,(H,12,14)","YWVQPILJDJGJBG-UHFFFAOYSA-N"
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"317","O=CCCC(=O)NCCNC(=O)CO","[R1]C(=O)CCC(=O)NCCNC(=O)CO[R2]","202.21","202.095356928","-2.43","14","0","4","3","7","95.5","C8H14N2O4","InChI=1S/C8H14N2O4/c11-5-1-2-7(13)9-3-4-10-8(14)6-12/h5,12H,1-4,6H2,(H,9,13)(H,10,14)","OQAZTSBOTAAJRR-UHFFFAOYSA-N"
"318","O=CCCC(=O)NCCCCCCNC(=O)CO","[R1]C(=O)CCC(=O)NCCCCCCNC(=O)CO[R2]","258.318","258.157957184","-1","18","0","4","3","11","95.5","C12H22N2O4","InChI=1S/C12H22N2O4/c15-9-5-6-11(17)13-7-3-1-2-4-8-14-12(18)10-16/h9,16H,1-8,10H2,(H,13,17)(H,14,18)","QJIAPTKTDZEFAD-UHFFFAOYSA-N"
"319","O=CCOCCOCCNC(=O)CO","[R1]C(=O)COCCOCCNC(=O)CO[R2]","205.21","205.09502258","-1.88","14","0","5","2","9","84.86","C8H15NO5","InChI=1S/C8H15NO5/c10-2-4-14-6-5-13-3-1-9-8(12)7-11/h2,11H,1,3-7H2,(H,9,12)","VNCLZPDQVSNYFJ-UHFFFAOYSA-N"
"320","COCCCOCC=O","[R1]C(=O)COCCCOC[R2]","132.159","132.078644244","-0.18","9","0","3","0","6","35.53","C6H12O3","InChI=1S/C6H12O3/c1-8-4-2-5-9-6-3-7/h3H,2,4-6H2,1H3","XHQZGALFKOIZRE-UHFFFAOYSA-N"
"321","CCOCCOCCOCCOCC=O","[R1]C(=O)COCCOCCOCCOCC[R2]","220.265","220.13107374","-0.47","15","0","5","0","12","53.99","C10H20O5","InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h3H,2,4-10H2,1H3","FMXVEMRCLXJCIA-UHFFFAOYSA-N"
"322","CCOCCOCCNC=O","[R1]C(=O)NCCOCCOCC[R2]","161.201","161.10519334","0.21","11","0","3","1","8","47.56","C7H15NO3","InChI=1S/C7H15NO3/c1-2-10-5-6-11-4-3-8-7-9/h7H,2-6H2,1H3,(H,8,9)","RNWZJESYGONOHW-UHFFFAOYSA-N"
"323","CCOCCOCCNC=S","[R1]C(=S)NCCOCCOCC[R2]","177.269","177.08234972","0.81","11","0","3","1","8","30.49","C7H15NO2S","InChI=1S/C7H15NO2S/c1-2-9-5-6-10-4-3-8-7-11/h7H,2-6H2,1H3,(H,8,11)","QFMUBEXVTGHSBI-UHFFFAOYSA-N"
"324","CCOCCOCC1=CN(CCCC=O)N=N1","[R1]C(=O)CCCN1C=C(N=N1)COCCOCC[R2]","241.291","241.142641468","-0.68","17","1","6","0","10","66.24","C11H19N3O3","InChI=1S/C11H19N3O3/c1-2-16-7-8-17-10-11-9-14(13-12-11)5-3-4-6-15/h6,9H,2-5,7-8,10H2,1H3","IWWAUXMBDMJSSV-UHFFFAOYSA-N"
"325","CCOCCOCCOCC1=CN(CCCC=O)N=N1","[R1]C(=O)CCCN1C=C(N=N1)COCCOCCOCC[R2]","285.344","285.168856216","-0.83","20","1","7","0","13","75.47","C13H23N3O4","InChI=1S/C13H23N3O4/c1-2-18-7-8-19-9-10-20-12-13-11-16(15-14-13)5-3-4-6-17/h6,11H,2-5,7-10,12H2,1H3","OPVXSAVGINBJEB-UHFFFAOYSA-N"
"326","CCOCCOCC1=CN(CCCCCCC=O)N=N1","[R1]C(=O)CCCCCCN1C=C(N=N1)COCCOCC[R2]","283.372","283.18959166","0.57","20","1","6","0","13","66.24","C14H25N3O3","InChI=1S/C14H25N3O3/c1-2-19-10-11-20-13-14-12-17(16-15-14)8-6-4-3-5-7-9-18/h9,12H,2-8,10-11,13H2,1H3","DOYCDXHJCFENHY-UHFFFAOYSA-N"
"327","CCOCCOCCOCC1=CN(CCCCCCC=O)N=N1","[R1]C(=O)CCCCCCN1C=C(N=N1)COCCOCCOCC[R2]","327.425","327.215806408","0.43","23","1","7","0","16","75.47","C16H29N3O4","InChI=1S/C16H29N3O4/c1-2-21-10-11-22-12-13-23-15-16-14-19(18-17-16)8-6-4-3-5-7-9-20/h9,14H,2-8,10-13,15H2,1H3","SFSUBKPMRDKRBN-UHFFFAOYSA-N"
"328","CCCCCCCN1C=C(COCCOCC)N=N1","[R1]CCCCCCCN1C=C(N=N1)COCCOCC[R2]","269.389","269.210327104","2.4","19","1","5","0","12","49.17","C14H27N3O2","InChI=1S/C14H27N3O2/c1-3-5-6-7-8-9-17-12-14(15-16-17)13-19-11-10-18-4-2/h12H,3-11,13H2,1-2H3","VNPKSTFQNRZCDX-UHFFFAOYSA-N"
"329","CCCCCCCN1C=C(COCCOCCOCC)N=N1","[R1]CCCCCCCN1C=C(N=N1)COCCOCCOCC[R2]","313.442","313.236541852","2.26","22","1","6","0","15","58.4","C16H31N3O3","InChI=1S/C16H31N3O3/c1-3-5-6-7-8-9-19-14-16(17-18-19)15-22-13-12-21-11-10-20-4-2/h14H,3-13,15H2,1-2H3","ZZXCHRNDDZQTMP-UHFFFAOYSA-N"
"330","OCCN1C=CN=N1","[R1]C1=CN(N=N1)CCO[R2]","113.12","113.058911844","-1.06","8","1","4","1","2","50.94","C4H7N3O","InChI=1S/C4H7N3O/c8-4-3-7-2-1-5-6-7/h1-2,8H,3-4H2","PKHVUMMJMYKRNO-UHFFFAOYSA-N"
"331","OCCCCCN1C=CN=N1","[R1]C1=CN(N=N1)CCCCCO[R2]","155.201","155.105862036","0.01","11","1","4","1","5","50.94","C7H13N3O","InChI=1S/C7H13N3O/c11-7-3-1-2-5-10-6-4-8-9-10/h4,6,11H,1-3,5,7H2","PTYAAEDDIDZYTP-UHFFFAOYSA-N"
"332","OCCCCCCN1C=CN=N1","[R1]C1=CN(N=N1)CCCCCCO[R2]","169.228","169.1215121","0.37","12","1","4","1","6","50.94","C8H15N3O","InChI=1S/C8H15N3O/c12-8-4-2-1-3-6-11-7-5-9-10-11/h5,7,12H,1-4,6,8H2","MKLKVRBLQFXYPA-UHFFFAOYSA-N"
"333","OCCCCCCCCN1C=CN=N1","[R1]C1=CN(N=N1)CCCCCCCCO[R2]","197.282","197.152812228","1.45","14","1","4","1","8","50.94","C10H19N3O","InChI=1S/C10H19N3O/c14-10-6-4-2-1-3-5-8-13-9-7-11-12-13/h7,9,14H,1-6,8,10H2","GSYUZMZQCSLBPA-UHFFFAOYSA-N"
"334","NCCCCCC=O","[R1]NCCCCCC(=O)[R2]","115.176","115.099714036","-0.21","8","0","2","1","5","43.09","C6H13NO","InChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h6H,1-5,7H2","CCYXEHOXJOKCCJ-UHFFFAOYSA-N"
"335","NC(=O)CCC(=O)NCCCCCC=O","[R1]NC(=O)CCC(=O)NCCCCCC(=O)[R2]","214.265","214.131742436","-1.17","15","0","3","2","9","89.26","C10H18N2O3","InChI=1S/C10H18N2O3/c11-9(14)5-6-10(15)12-7-3-1-2-4-8-13/h8H,1-7H2,(H2,11,14)(H,12,15)","MRWKUXULCQWHDJ-UHFFFAOYSA-N"
"336","NCCOCCOCCOCCC=O","[R1]NCCOCCOCCOCCC(=O)[R2]","205.254","205.131408088","-1.72","14","0","5","1","11","70.78","C9H19NO4","InChI=1S/C9H19NO4/c10-2-5-13-7-9-14-8-6-12-4-1-3-11/h3H,1-2,4-10H2","PGRFVPHGKLDGEE-UHFFFAOYSA-N"
"337","NCCOCCOCCOCCOCCOCCOCCOCCC=O","[R1]NCCOCCOCCOCCOCCOCCOCCOCCC(=O)[R2]","381.466","381.23626708","-2.31","26","0","9","1","23","107.7","C17H35NO8","InChI=1S/C17H35NO8/c18-2-5-21-7-9-23-11-13-25-15-17-26-16-14-24-12-10-22-8-6-20-4-1-3-19/h3H,1-2,4-18H2","WQVLRRLIBUBEEL-UHFFFAOYSA-N"
"338","CCOCCNC(=O)CON","[R1]=NOCC(=O)NCCOCC[R2]","162.189","162.100442308","-1.1","11","0","4","2","6","73.58","C6H14N2O3","InChI=1S/C6H14N2O3/c1-2-10-4-3-8-6(9)5-11-7/h2-5,7H2,1H3,(H,8,9)","IKZNZUUOZXXBSK-UHFFFAOYSA-N"
"339","CCOCCOCCNC(=O)CON","[R1]=NOCC(=O)NCCOCCOCC[R2]","206.242","206.126657056","-1.25","14","0","5","2","9","82.81","C8H18N2O4","InChI=1S/C8H18N2O4/c1-2-12-5-6-13-4-3-10-8(11)7-14-9/h2-7,9H2,1H3,(H,10,11)","MVBWGWFEBZTDRL-UHFFFAOYSA-N"
"340","CCOCCOCCOCCNC(=O)CON","[R1]=NOCC(=O)NCCOCCOCCOCC[R2]","250.295","250.152871804","-1.4","17","0","6","2","12","92.04","C10H22N2O5","InChI=1S/C10H22N2O5/c1-2-14-5-6-16-8-7-15-4-3-12-10(13)9-17-11/h2-9,11H2,1H3,(H,12,13)","CGVIAZZERQTZME-UHFFFAOYSA-N"
"341","CCCCCCNC(C)=O","[R1]CC(=O)NCCCCCC[R2]","143.23","143.131014164","1.87","10","0","1","1","5","29.1","C8H17NO","InChI=1S/C8H17NO/c1-3-4-5-6-7-9-8(2)10/h3-7H2,1-2H3,(H,9,10)","SYIOXNGUUYGIIF-UHFFFAOYSA-N"
"342","CCCCCCNC(=O)CO","[R1]CCCCCCNC(=O)CO[R2]","159.229","159.125928784","1.22","11","0","2","2","6","49.33","C8H17NO2","InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-8(11)7-10/h10H,2-7H2,1H3,(H,9,11)","SCPUJVKFJZGFHO-UHFFFAOYSA-N"
"343","CCCNC(=O)CO","[R1]CCCNC(=O)CO[R2]","117.148","117.078978592","-0.22","8","0","2","2","3","49.33","C5H11NO2","InChI=1S/C5H11NO2/c1-2-3-6-5(8)4-7/h7H,2-4H2,1H3,(H,6,8)","AVMYPXOTVDWXBQ-UHFFFAOYSA-N"
"344","CCNC(=O)CO","[R1]CCNC(=O)CO[R2]","103.121","103.063328528","-0.75","7","0","2","2","2","49.33","C4H9NO2","InChI=1S/C4H9NO2/c1-2-5-4(7)3-6/h6H,2-3H2,1H3,(H,5,7)","HWVOWKVXWMUGMS-UHFFFAOYSA-N"
"345","CCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCC[R2]","205.254","205.131408088","0.07","14","0","4","1","11","56.79","C9H19NO4","InChI=1S/C9H19NO4/c1-2-12-5-6-14-8-7-13-4-3-10-9-11/h9H,2-8H2,1H3,(H,10,11)","PMJXDYYSGBCCKN-UHFFFAOYSA-N"
"346","CCOCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOCC[R2]","249.307","249.157622836","-0.08","17","0","5","1","14","66.02","C11H23NO5","InChI=1S/C11H23NO5/c1-2-14-5-6-16-9-10-17-8-7-15-4-3-12-11-13/h11H,2-10H2,1H3,(H,12,13)","USNKTLYDYCQPIY-UHFFFAOYSA-N"
"347","O=CCCCN1C=C(COCCOCCOCC=O)N=N1","[R1]C(=O)CCCN1C=C(N=N1)COCCOCCOCC(=O)[R2]","299.327","299.148120772","-1.67","21","1","8","0","14","92.54","C13H21N3O5","InChI=1S/C13H21N3O5/c17-4-2-1-3-16-11-13(14-15-16)12-21-10-9-20-8-7-19-6-5-18/h4-5,11H,1-3,6-10,12H2","PIERMBSUWGQIIM-UHFFFAOYSA-N"
"348","CC1=CN(CCCCC=O)N=N1","[R1]CC1=CN(N=N1)CCCCC(=O)[R2]","167.212","167.105862036","0.17","12","1","4","0","5","47.78","C8H13N3O","InChI=1S/C8H13N3O/c1-8-7-11(10-9-8)5-3-2-4-6-12/h6-7H,2-5H2,1H3","BDVLFPPECGWUGW-UHFFFAOYSA-N"
"349","CCOCCN1C=C(CCCC(N)=O)N=N1","[R1]NC(=O)CCCC1=CN(N=N1)CCOCC[R2]","226.28","226.142975816","-0.66","16","1","5","1","8","83.03","C10H18N4O2","InChI=1S/C10H18N4O2/c1-2-16-7-6-14-8-9(12-13-14)4-3-5-10(11)15/h8H,2-7H2,1H3,(H2,11,15)","HHFSCJJMVBUCCJ-UHFFFAOYSA-N"
"350","CCOCCOCCN1C=C(CCCC(N)=O)N=N1","[R1]NC(=O)CCCC1=CN(N=N1)CCOCCOCC[R2]","270.333","270.169190564","-0.81","19","1","6","1","11","92.26","C12H22N4O3","InChI=1S/C12H22N4O3/c1-2-18-8-9-19-7-6-16-10-11(14-15-16)4-3-5-12(13)17/h10H,2-9H2,1H3,(H2,13,17)","YUKGCMCMOXBDMR-UHFFFAOYSA-N"
"351","CCOCCOCCOCCN1C=C(CCCC(N)=O)N=N1","[R1]NC(=O)CCCC1=CN(N=N1)CCOCCOCCOCC[R2]","314.386","314.195405312","-0.95","22","1","7","1","14","101.49","C14H26N4O4","InChI=1S/C14H26N4O4/c1-2-20-8-9-22-11-10-21-7-6-18-12-13(16-17-18)4-3-5-14(15)19/h12H,2-11H2,1H3,(H2,15,19)","VKADYKRAOVRMLK-UHFFFAOYSA-N"
"352","CCOCCOCCOCCOCCN1C=C(CCCC(N)=O)N=N1","[R1]NC(=O)CCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","358.439","358.22162006","-1.1","25","1","8","1","17","110.72","C16H30N4O5","InChI=1S/C16H30N4O5/c1-2-22-8-9-24-12-13-25-11-10-23-7-6-20-14-15(18-19-20)4-3-5-16(17)21/h14H,2-13H2,1H3,(H2,17,21)","SGKUSCWMMYTJMU-UHFFFAOYSA-N"
"353","CCCCCNC(=O)CO","[R1]CCCCCNC(=O)CO[R2]","145.202","145.11027872","0.68","10","0","2","2","5","49.33","C7H15NO2","InChI=1S/C7H15NO2/c1-2-3-4-5-8-7(10)6-9/h9H,2-6H2,1H3,(H,8,10)","BOELJSPAIXVQPX-UHFFFAOYSA-N"
"354","CCCCCCCCCCCNC(=O)CO","[R1]CCCCCCCCCCCNC(=O)CO[R2]","229.364","229.204179104","3.93","16","0","2","2","11","49.33","C13H27NO2","InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-13(16)12-15/h15H,2-12H2,1H3,(H,14,16)","SPCBFTQUZSEEMK-UHFFFAOYSA-N"
"355","NCCOCCOCCOCC(=O)NCCCO","[R1]OCCCNC(=O)COCCOCCOCCN[R2]","264.322","264.168521868","-2.14","18","0","6","3","13","103.04","C11H24N2O5","InChI=1S/C11H24N2O5/c12-2-5-16-6-7-17-8-9-18-10-11(15)13-3-1-4-14/h14H,1-10,12H2,(H,13,15)","OMPNHKUEEONSGM-UHFFFAOYSA-N"
"356","NCCOCCOCCNC(=O)CON","[R1]=NOCC(=O)NCCOCCOCCN[R2]","221.257","221.137556088","-2.56","15","0","6","3","10","108.83","C8H19N3O4","InChI=1S/C8H19N3O4/c9-1-3-13-5-6-14-4-2-11-8(12)7-15-10/h1-7,9-10H2,(H,11,12)","NVASRKBDKFQDEH-UHFFFAOYSA-N"
"357","NCCOCCOCCOCC=O","[R1]C(=O)COCCOCCOCCN[R2]","191.227","191.115758024","-1.63","13","0","5","1","10","70.78","C8H17NO4","InChI=1S/C8H17NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h2H,1,3-9H2","CFXYEARFECEFDH-UHFFFAOYSA-N"
"358","CCNC(=O)CC","[R1]CCC(=O)NCC[R2]","101.149","101.084063972","0.38","7","0","1","1","2","29.1","C5H11NO","InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7)","ABMDIECEEGFXNC-UHFFFAOYSA-N"
"359","CCCNC(=O)CC","[R1]CCC(=O)NCCC[R2]","115.176","115.099714036","0.91","8","0","1","1","3","29.1","C6H13NO","InChI=1S/C6H13NO/c1-3-5-7-6(8)4-2/h3-5H2,1-2H3,(H,7,8)","YUMCRXLLWKQDJY-UHFFFAOYSA-N"
"360","CCCCNC(=O)CC","[R1]CCC(=O)NCCCC[R2]","129.203","129.1153641","1.26","9","0","1","1","4","29.1","C7H15NO","InChI=1S/C7H15NO/c1-3-5-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)","XQZDWKBCGAJXLC-UHFFFAOYSA-N"
"361","CCCCCNC(=O)CC","[R1]CCC(=O)NCCCCC[R2]","143.23","143.131014164","1.8","10","0","1","1","5","29.1","C8H17NO","InChI=1S/C8H17NO/c1-3-5-6-7-9-8(10)4-2/h3-7H2,1-2H3,(H,9,10)","IVHSRZSQMQJLKE-UHFFFAOYSA-N"
"362","CCOCCOCCOCC=O","[R1]CCOCCOCCOCC(=O)[R2]","176.212","176.104858992","-0.32","12","0","4","0","9","44.76","C8H16O4","InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9/h3H,2,4-8H2,1H3","VIGPEKUIVIPDAG-UHFFFAOYSA-N"
"363","CC(=O)NCCOCCOCCOCCC=O","[R1]CC(=O)NCCOCCOCCOCCC(=O)[R2]","247.291","247.141972772","-1.47","17","0","5","1","12","73.86","C11H21NO5","InChI=1S/C11H21NO5/c1-11(14)12-3-6-16-8-10-17-9-7-15-5-2-4-13/h4H,2-3,5-10H2,1H3,(H,12,14)","SVZLKBWUDJMXGH-UHFFFAOYSA-N"
"364","NCCCCC=O","[R1]C(=O)CCCCN[R2]","101.149","101.084063972","-0.57","7","0","2","1","4","43.09","C5H11NO","InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2","SZBGXBOFCGNPEU-UHFFFAOYSA-N"
"365","NCCCCCCC=O","[R1]C(=O)CCCCCCN[R2]","129.203","129.1153641","0.33","9","0","2","1","6","43.09","C7H15NO","InChI=1S/C7H15NO/c8-6-4-2-1-3-5-7-9/h7H,1-6,8H2","UGLZOVSJRNQLCS-UHFFFAOYSA-N"
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"389","CC(=O)NCCOCCOCCC=O","[R1]C(=O)CCOCCOCCNC(=O)C[R2]","203.238","203.115758024","-1.32","14","0","4","1","9","64.63","C9H17NO4","InChI=1S/C9H17NO4/c1-9(12)10-3-6-14-8-7-13-5-2-4-11/h4H,2-3,5-8H2,1H3,(H,10,12)","QFBWCXMYMIWRBS-UHFFFAOYSA-N"
"390","O=CCCCCNC(=O)CCCC=O","[R1]C(=O)CCCC(=O)NCCCCC(=O)[R2]","199.25","199.120843404","-0.59","14","0","3","1","9","63.24","C10H17NO3","InChI=1S/C10H17NO3/c12-8-4-1-3-7-11-10(14)6-2-5-9-13/h8-9H,1-7H2,(H,11,14)","IQCMDZNBHIBZSX-UHFFFAOYSA-N"
"391","CC(=O)NCCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCCNC(=O)C[R2]","291.344","291.16818752","-1.62","20","0","6","1","15","83.09","C13H25NO6","InChI=1S/C13H25NO6/c1-13(16)14-3-6-18-8-10-20-12-11-19-9-7-17-5-2-4-15/h4H,2-3,5-12H2,1H3,(H,14,16)","ITOYTQVWBLQPSD-UHFFFAOYSA-N"
"392","CC(=O)NCCOCCOCCN","[R1]NCCOCCOCCNC(=O)C[R2]","190.243","190.131742436","-1.7","13","0","4","2","8","73.58","C8H18N2O3","InChI=1S/C8H18N2O3/c1-8(11)10-3-5-13-7-6-12-4-2-9/h2-7,9H2,1H3,(H,10,11)","MLKVGKULFLDWJW-UHFFFAOYSA-N"
"393","C#CCOCCOCCOCC","[R1]C#CCOCCOCCOCC[R2]","172.224","172.109944372","0.26","12","0","3","0","8","27.69","C9H16O3","InChI=1S/C9H16O3/c1-3-5-11-8-9-12-7-6-10-4-2/h1H,4-9H2,2H3","NIFIKPHRYNDRRF-UHFFFAOYSA-N"
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"410","COCCOCCOCCOCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOC[R2]","354.403","354.179086552","1.16","25","1","7","1","16","87.61","C17H26N2O6","InChI=1S/C17H26N2O6/c1-21-6-7-22-8-9-23-10-11-24-12-13-25-17-4-2-16(3-5-17)14-18-19-15-20/h2-5,14-15H,6-13H2,1H3,(H,19,20)/b18-14+","BCEMPQXHJBHMKK-NBVRZTHBSA-N"
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"416","C#CCNC(=O)CCCCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCCCCC(=O)NCC#C[R2]","315.373","315.158291532","2.18","23","1","4","2","11","79.79","C17H21N3O3","InChI=1S/C17H21N3O3/c1-2-11-18-17(22)6-4-3-5-12-23-16-9-7-15(8-10-16)13-19-20-14-21/h1,7-10,13-14H,3-6,11-12H2,(H,18,22)(H,20,21)/b19-13+","SZOXJFMKFJKTCM-CPNJWEJPSA-N"
"417","C#CCNC(=O)CCCCCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCCCCCC(=O)NCC#C[R2]","329.4","329.173941596","2.72","24","1","4","2","12","79.79","C18H23N3O3","InChI=1S/C18H23N3O3/c1-2-12-19-18(23)7-5-3-4-6-13-24-17-10-8-16(9-11-17)14-20-21-15-22/h1,8-11,14-15H,3-7,12-13H2,(H,19,23)(H,21,22)/b20-14+","WZYZJSCZZKFJQK-XSFVSMFZSA-N"
"418","C#CCNC(=O)CCCCCCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCCCCCCC(=O)NCC#C[R2]","343.427","343.18959166","3.26","25","1","4","2","13","79.79","C19H25N3O3","InChI=1S/C19H25N3O3/c1-2-13-20-19(24)8-6-4-3-5-7-14-25-18-11-9-17(10-12-18)15-21-22-16-23/h1,9-12,15-16H,3-8,13-14H2,(H,20,24)(H,22,23)/b21-15+","OXSFPFIZYKCSHT-RCCKNPSSSA-N"
"419","C#CCNC(=O)COCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCC(=O)NCC#C[R2]","303.318","303.121906024","1.06","22","1","5","2","10","89.02","C15H17N3O4","InChI=1S/C15H17N3O4/c1-2-7-16-15(20)11-21-8-9-22-14-5-3-13(4-6-14)10-17-18-12-19/h1,3-6,10,12H,7-9,11H2,(H,16,20)(H,18,19)/b17-10+","FNJIVVPTPZXBJN-LICLKQGHSA-N"
"420","C#CCNC(=O)COCCOCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCC(=O)NCC#C[R2]","347.371","347.148120772","0.91","25","1","6","2","13","98.25","C17H21N3O5","InChI=1S/C17H21N3O5/c1-2-7-18-17(22)13-24-9-8-23-10-11-25-16-5-3-15(4-6-16)12-19-20-14-21/h1,3-6,12,14H,7-11,13H2,(H,18,22)(H,20,21)/b19-12+","CTYKIWOGVVKSIP-XDHOZWIPSA-N"
"421","C#CCNC(=O)COCCOCCOCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCC(=O)NCC#C[R2]","391.424","391.17433552","0.76","28","1","7","2","16","107.48","C19H25N3O6","InChI=1S/C19H25N3O6/c1-2-7-20-19(24)15-27-11-10-25-8-9-26-12-13-28-18-5-3-17(4-6-18)14-21-22-16-23/h1,3-6,14,16H,7-13,15H2,(H,20,24)(H,22,23)/b21-14+","OPDCBWXZBZLRBM-KGENOOAVSA-N"
"422","C#CCNC(=O)COCCOCCOCCOCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCC(=O)NCC#C[R2]","435.477","435.200550268","0.62","31","1","8","2","19","116.71","C21H29N3O7","InChI=1S/C21H29N3O7/c1-2-7-22-21(26)17-30-13-12-28-9-8-27-10-11-29-14-15-31-20-5-3-19(4-6-20)16-23-24-18-25/h1,3-6,16,18H,7-15,17H2,(H,22,26)(H,24,25)/b23-16+","GRQBTEUFCXRUNR-XQNSMLJCSA-N"
"423","C#CCNC(=O)COCCOCCOCCOCCOCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCC(=O)NCC#C[R2]","479.53","479.226765016","0.47","34","1","9","2","22","125.94","C23H33N3O8","InChI=1S/C23H33N3O8/c1-2-7-24-23(28)19-33-15-14-31-11-10-29-8-9-30-12-13-32-16-17-34-22-5-3-21(4-6-22)18-25-26-20-27/h1,3-6,18,20H,7-17,19H2,(H,24,28)(H,26,27)/b25-18+","RHXYDIXBWDSPPO-XIEYBQDHSA-N"
"424","C#CCNC(=O)COCCOCCOCCOCCOCCOCCOC1=CC=C(/C=N/NC=O)C=C1","[R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCC(=O)NCC#C[R2]","523.583","523.252979764","0.32","37","1","10","2","25","135.17","C25H37N3O9","InChI=1S/C25H37N3O9/c1-2-7-26-25(30)21-36-17-16-34-13-12-32-9-8-31-10-11-33-14-15-35-18-19-37-24-5-3-23(4-6-24)20-27-28-22-29/h1,3-6,20,22H,7-19,21H2,(H,26,30)(H,28,29)/b27-20+","RKWZEGMUMOWRTL-NHFJDJAPSA-N"
"425","COC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OC[R2]","150.181","150.07931294","1.29","11","1","3","1","2","47.61","C8H10N2O","InChI=1S/C8H10N2O/c1-11-8-4-2-7(3-5-8)6-10-9/h2-6H,9H2,1H3/b10-6+","YGPAJUBACUQPDB-UXBLZVDNSA-N"
"426","CCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCC[R2]","178.235","178.110613068","2.18","13","1","3","1","4","47.61","C10H14N2O","InChI=1S/C10H14N2O/c1-2-7-13-10-5-3-9(4-6-10)8-12-11/h3-6,8H,2,7,11H2,1H3/b12-8+","OXYFCXREAYFPDZ-XYOKQWHBSA-N"
"427","CCCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCCC[R2]","192.262","192.126263132","2.54","14","1","3","1","5","47.61","C11H16N2O","InChI=1S/C11H16N2O/c1-2-3-8-14-11-6-4-10(5-7-11)9-13-12/h4-7,9H,2-3,8,12H2,1H3/b13-9+","MFWGQLZQFZJLJT-UKTHLTGXSA-N"
"428","CCCCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCCCC[R2]","206.289","206.141913196","3.08","15","1","3","1","6","47.61","C12H18N2O","InChI=1S/C12H18N2O/c1-2-3-4-9-15-12-7-5-11(6-8-12)10-14-13/h5-8,10H,2-4,9,13H2,1H3/b14-10+","OTPACXZHXCCNAU-GXDHUFHOSA-N"
"429","CCCCCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCCCCC[R2]","220.316","220.15756326","3.62","16","1","3","1","7","47.61","C13H20N2O","InChI=1S/C13H20N2O/c1-2-3-4-5-10-16-13-8-6-12(7-9-13)11-15-14/h6-9,11H,2-5,10,14H2,1H3/b15-11+","PULLXMCFWFSODK-RVDMUPIBSA-N"
"430","CCCCCCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCCCCCC[R2]","234.343","234.173213324","4.16","17","1","3","1","8","47.61","C14H22N2O","InChI=1S/C14H22N2O/c1-2-3-4-5-6-11-17-14-9-7-13(8-10-14)12-16-15/h7-10,12H,2-6,11,15H2,1H3/b16-12+","DPZIXPPVZMYWGQ-FOWTUZBSSA-N"
"431","COCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCOC[R2]","194.234","194.105527688","1.14","14","1","4","1","5","56.84","C10H14N2O2","InChI=1S/C10H14N2O2/c1-13-6-7-14-10-4-2-9(3-5-10)8-12-11/h2-5,8H,6-7,11H2,1H3/b12-8+","LUDQJGRVDULCNY-XYOKQWHBSA-N"
"432","COCCOCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCOCCOC[R2]","238.287","238.131742436","0.99","17","1","5","1","8","66.07","C12H18N2O3","InChI=1S/C12H18N2O3/c1-15-6-7-16-8-9-17-12-4-2-11(3-5-12)10-14-13/h2-5,10H,6-9,13H2,1H3/b14-10+","ODGUMAOJSGSGLV-GXDHUFHOSA-N"
"433","COCCOCCOCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCOCCOCCOC[R2]","282.34","282.157957184","0.84","20","1","6","1","11","75.3","C14H22N2O4","InChI=1S/C14H22N2O4/c1-17-6-7-18-8-9-19-10-11-20-14-4-2-13(3-5-14)12-16-15/h2-5,12H,6-11,15H2,1H3/b16-12+","XDVVVPJBIVJSHY-FOWTUZBSSA-N"
"434","COCCOCCOCCOCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOC[R2]","326.393","326.184171932","0.7","23","1","7","1","14","84.53","C16H26N2O5","InChI=1S/C16H26N2O5/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-16-4-2-15(3-5-16)14-18-17/h2-5,14H,6-13,17H2,1H3/b18-14+","JLHHDMPTKJQBKK-NBVRZTHBSA-N"
"435","COCCOCCOCCOCCOCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCCOC[R2]","370.446","370.21038668","0.55","26","1","8","1","17","93.76","C18H30N2O6","InChI=1S/C18H30N2O6/c1-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-18-4-2-17(3-5-18)16-20-19/h2-5,16H,6-15,19H2,1H3/b20-16+","TXHJCKIISNHBJE-CAPFRKAQSA-N"
"436","COCCOCCOCCOCCOCCOCCOC1=CC=C(/C=N/N)C=C1","[R1]N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOC[R2]","414.499","414.236601428","0.4","29","1","9","1","20","102.99","C20H34N2O7","InChI=1S/C20H34N2O7/c1-23-6-7-24-8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-20-4-2-19(3-5-20)18-22-21/h2-5,18H,6-17,21H2,1H3/b22-18+","FCIFBZLVTZMJGJ-RELWKKBWSA-N"
"437","CCCOC1=CC=C(CCNC=O)C=C1","[R1]C(=O)NCCC1=CC=C(C=C1)OCCC[R2]","207.273","207.125928784","2.96","15","1","2","1","7","38.33","C12H17NO2","InChI=1S/C12H17NO2/c1-2-9-15-12-5-3-11(4-6-12)7-8-13-10-14/h3-6,10H,2,7-9H2,1H3,(H,13,14)","VGYCUVHCRSKUCP-UHFFFAOYSA-N"
"438","CCCCOC1=CC=C(CCNC=O)C=C1","[R1]C(=O)NCCC1=CC=C(C=C1)OCCCC[R2]","221.3","221.141578848","3.32","16","1","2","1","8","38.33","C13H19NO2","InChI=1S/C13H19NO2/c1-2-3-10-16-13-6-4-12(5-7-13)8-9-14-11-15/h4-7,11H,2-3,8-10H2,1H3,(H,14,15)","RXIJOEWSBXIZIM-UHFFFAOYSA-N"
"439","CCCCCOC1=CC=C(CCNC=O)C=C1","[R1]C(=O)NCCC1=CC=C(C=C1)OCCCCC[R2]","235.327","235.157228912","3.86","17","1","2","1","9","38.33","C14H21NO2","InChI=1S/C14H21NO2/c1-2-3-4-11-17-14-7-5-13(6-8-14)9-10-15-12-16/h5-8,12H,2-4,9-11H2,1H3,(H,15,16)","WFJXHPFHAUFGOO-UHFFFAOYSA-N"
"440","CCNC(=O)COCCOCCOCC","[R1]CCOCCOCCOCC(=O)NCC[R2]","219.281","219.147058152","-0.14","15","0","4","1","10","56.79","C10H21NO4","InChI=1S/C10H21NO4/c1-3-11-10(12)9-15-8-7-14-6-5-13-4-2/h3-9H2,1-2H3,(H,11,12)","SNIYVBISNQQNQP-UHFFFAOYSA-N"
"441","CCCCCCOCCOCCOC","[R1]CCCCCCOCCOCCOC[R2]","204.31","204.172544628","2.12","14","0","3","0","11","27.69","C11H24O3","InChI=1S/C11H24O3/c1-3-4-5-6-7-13-10-11-14-9-8-12-2/h3-11H2,1-2H3","SLXZPRDVXSNULE-UHFFFAOYSA-N"
"442","CCCCCCOCCOCCOCCOC","[R1]CCCCCCOCCOCCOCCOC[R2]","248.363","248.198759376","1.97","17","0","4","0","14","36.92","C13H28O4","InChI=1S/C13H28O4/c1-3-4-5-6-7-15-10-11-17-13-12-16-9-8-14-2/h3-13H2,1-2H3","WECDVJWNQLMVAZ-UHFFFAOYSA-N"
"443","CCCCCCOCCCCCCOC","[R1]CCCCCCOCCCCCCOC[R2]","216.365","216.208930136","3.69","15","0","2","0","12","18.46","C13H28O2","InChI=1S/C13H28O2/c1-3-4-5-9-12-15-13-10-7-6-8-11-14-2/h3-13H2,1-2H3","GICBTTLLBOJUPJ-UHFFFAOYSA-N"
"444","CCOC1=CC=C(OC)C=C1","[R1]CCOC1=CC=C(C=C1)OC[R2]","152.193","152.083729624","2.23","11","1","2","0","3","18.46","C9H12O2","InChI=1S/C9H12O2/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H3","FTFNFGIOGXKJSP-UHFFFAOYSA-N"
"445","CCNC=O","[R1]C(=O)NCC[R2]","73.095","73.052763844","0.51","5","0","1","1","2","29.1","C3H7NO","InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","KERBAAIBDHEFDD-UHFFFAOYSA-N"
"446","CCCNC=O","[R1]C(=O)NCCC[R2]","87.122","87.068413908","1.04","6","0","1","1","3","29.1","C4H9NO","InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","SUUDTPGCUKBECW-UHFFFAOYSA-N"
"447","CCCCNC=O","[R1]C(=O)NCCCC[R2]","101.149","101.084063972","1.39","7","0","1","1","4","29.1","C5H11NO","InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)","QQGNLKJAIVSNCO-UHFFFAOYSA-N"
"448","CCOCCOCCNC(=O)CCN","[R1]NCCC(=O)NCCOCCOCC[R2]","204.27","204.1473925","-1.39","14","0","4","2","9","73.58","C9H20N2O3","InChI=1S/C9H20N2O3/c1-2-13-7-8-14-6-5-11-9(12)3-4-10/h2-8,10H2,1H3,(H,11,12)","AMHKPKUSSYLBPW-UHFFFAOYSA-N"
"449","CCOCCOCCOCCOCCNC(=O)CCN","[R1]NCCC(=O)NCCOCCOCCOCCOCC[R2]","292.376","292.199821996","-1.69","20","0","6","2","15","92.04","C13H28N2O5","InChI=1S/C13H28N2O5/c1-2-17-7-8-19-11-12-20-10-9-18-6-5-15-13(16)3-4-14/h2-12,14H2,1H3,(H,15,16)","IGWZYCHVGYXPSZ-UHFFFAOYSA-N"
"450","NCCCC1=CN(COCCOCCOCCC=O)N=N1","[R1]NCCCC1=CN(N=N1)COCCOCCOCCC(=O)[R2]","300.359","300.179755248","-1.58","21","1","8","1","14","101.49","C13H24N4O4","InChI=1S/C13H24N4O4/c14-4-1-3-13-11-17(16-15-13)12-21-10-9-20-8-7-19-6-2-5-18/h5,11H,1-4,6-10,12,14H2","ZIHXQJDNOBPNNV-UHFFFAOYSA-N"
"451","NCCOCCOCCOCCC1=CN(COCCOCCOCCC=O)N=N1","[R1]NCCOCCOCCOCCC1=CN(N=N1)COCCOCCOCCC(=O)[R2]","418.491","418.242749428","-2.38","29","1","11","1","22","129.18","C18H34N4O7","InChI=1S/C18H34N4O7/c19-3-7-26-10-13-27-12-9-25-6-2-18-16-22(21-20-18)17-29-15-14-28-11-8-24-5-1-4-23/h4,16H,1-3,5-15,17,19H2","KQVVWIORIYTOAJ-UHFFFAOYSA-N"
"452","NCCOCCOCCOCCO","[R1]NCCOCCOCCOCCO[R2]","193.243","193.131408088","-1.84","13","0","5","2","10","73.94","C8H19NO4","InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2","ANOJXMUSDYSKET-UHFFFAOYSA-N"
"453","NCCOCCOCCOCCOCCO","[R1]NCCOCCOCCOCCOCCO[R2]","237.296","237.157622836","-1.99","16","0","6","2","13","83.17","C10H23NO5","InChI=1S/C10H23NO5/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h12H,1-11H2","DEOUHEFHTMMUCM-UHFFFAOYSA-N"
"454","NCCOCCOCCOCCOCCOCCO","[R1]NCCOCCOCCOCCOCCOCCO[R2]","281.349","281.183837584","-2.14","19","0","7","2","16","92.4","C12H27NO6","InChI=1S/C12H27NO6/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h14H,1-13H2","ICUIZKMGHRMMDZ-UHFFFAOYSA-N"
"455","CCOCCOCCOCCN","[R1]NCCOCCOCCOCC[R2]","177.244","177.136493468","-0.79","12","0","4","1","9","53.71","C8H19NO3","InChI=1S/C8H19NO3/c1-2-10-5-6-12-8-7-11-4-3-9/h2-9H2,1H3","WWJVRDMJNJTOBL-UHFFFAOYSA-N"
"456","CCCCCCCCCCCCN","[R1]NCCCCCCCCCCCC[R2]","185.355","185.214349864","4.87","13","0","1","1","10","26.02","C12H27N","InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3","JRBPAEWTRLWTQC-UHFFFAOYSA-N"
"457","CCCN(C)CCCN","[R1]NCCCN(C)CCC[R2]","130.235","130.146998576","0.57","9","0","2","1","5","29.26","C7H18N2","InChI=1S/C7H18N2/c1-3-6-9(2)7-4-5-8/h3-8H2,1-2H3","SMGLLZNMFIPPIT-UHFFFAOYSA-N"
"458","CCN1CCN(CCN)CC1","[R1]NCCN1CCN(CC1)CC[R2]","157.261","157.157897608","-0.5","11","1","3","1","3","32.5","C8H19N3","InChI=1S/C8H19N3/c1-2-10-5-7-11(4-3-9)8-6-10/h2-9H2,1H3","SHUQIGHJQMJUHB-UHFFFAOYSA-N"
"459","CCCN1CCN(CCCN)CC1","[R1]NCCCN1CCN(CC1)CCC[R2]","185.315","185.189197736","0.39","13","1","3","1","5","32.5","C10H23N3","InChI=1S/C10H23N3/c1-2-5-12-7-9-13(10-8-12)6-3-4-11/h2-11H2,1H3","DJOXCABHIQUIJR-UHFFFAOYSA-N"
"460","CCCCN1CCN(CCCCN)CC1","[R1]NCCCCN1CCN(CC1)CCCC[R2]","213.369","213.220497864","1.1","15","1","3","1","7","32.5","C12H27N3","InChI=1S/C12H27N3/c1-2-3-7-14-9-11-15(12-10-14)8-5-4-6-13/h2-13H2,1H3","FTOWGLPSVKBMII-UHFFFAOYSA-N"
"461","CCOCCN1CCN(CCOCCN)CC1","[R1]NCCOCCN1CCN(CC1)CCOCC[R2]","245.367","245.210327104","-0.79","17","1","5","1","9","50.96","C12H27N3O2","InChI=1S/C12H27N3O2/c1-2-16-11-8-14-4-6-15(7-5-14)9-12-17-10-3-13/h2-13H2,1H3","DSSQVCBOGPFZBU-UHFFFAOYSA-N"
"462","C","[R1]C[R2]","16.043","16.031300128","0.65","1","0","0","0","0","0","CH4","InChI=1S/CH4/h1H4","VNWKTOKETHGBQD-UHFFFAOYSA-N"
"463","COCCO","[R1]OCCOC[R2]","76.095","76.052429496","-0.61","5","0","2","1","2","29.46","C3H8O2","InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","XNWFRZJHXBZDAG-UHFFFAOYSA-N"
"464","CCNC(=O)COCCOCCOC","[R1]CCNC(=O)COCCOCCOC[R2]","205.254","205.131408088","-0.5","14","0","4","1","9","56.79","C9H19NO4","InChI=1S/C9H19NO4/c1-3-10-9(11)8-14-7-6-13-5-4-12-2/h3-8H2,1-2H3,(H,10,11)","KOZUMTCLSXRRSF-UHFFFAOYSA-N"
"465","CCNC(=O)COCCOCCOCCOC","[R1]CCNC(=O)COCCOCCOCCOC[R2]","249.307","249.157622836","-0.65","17","0","5","1","12","66.02","C11H23NO5","InChI=1S/C11H23NO5/c1-3-12-11(13)10-17-9-8-16-7-6-15-5-4-14-2/h3-10H2,1-2H3,(H,12,13)","GPYHKDJMEODULP-UHFFFAOYSA-N"
"466","CCNC(=O)COCCOCCOCCOCCOC","[R1]CCNC(=O)COCCOCCOCCOCCOC[R2]","293.36","293.183837584","-0.8","20","0","6","1","15","75.25","C13H27NO6","InChI=1S/C13H27NO6/c1-3-14-13(15)12-20-11-10-19-9-8-18-7-6-17-5-4-16-2/h3-12H2,1-2H3,(H,14,15)","LGHRRVYRCMBQFR-UHFFFAOYSA-N"
"467","CCNC(=O)COCCOCCOCCOCCOCCOC","[R1]CCNC(=O)COCCOCCOCCOCCOCCOC[R2]","337.413","337.210052332","-0.95","23","0","7","1","18","84.48","C15H31NO7","InChI=1S/C15H31NO7/c1-3-16-15(17)14-23-13-12-22-11-10-21-9-8-20-7-6-19-5-4-18-2/h3-14H2,1-2H3,(H,16,17)","DXJUBWSTMHZRES-UHFFFAOYSA-N"
"468","CCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOC","[R1]CCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOC[R2]","469.572","469.288696576","-1.39","32","0","10","1","27","112.17","C21H43NO10","InChI=1S/C21H43NO10/c1-3-22-21(23)20-32-19-18-31-17-16-30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-25-5-4-24-2/h3-20H2,1-2H3,(H,22,23)","VHOVKYPYCOBJOC-UHFFFAOYSA-N"
"469","CCNC(=O)COCCCCCCOC","[R1]CCNC(=O)COCCCCCCOC[R2]","217.309","217.167793596","1.07","15","0","3","1","10","47.56","C11H23NO3","InChI=1S/C11H23NO3/c1-3-12-11(13)10-15-9-7-5-4-6-8-14-2/h3-10H2,1-2H3,(H,12,13)","KYNRZXOWMLTXAP-UHFFFAOYSA-N"
"470","CCNC(=O)COCCCCCOCCOCCCCCOC","[R1]CCNC(=O)COCCCCCOCCOCCCCCOC[R2]","333.469","333.25152322","1.49","23","0","5","1","18","66.02","C17H35NO5","InChI=1S/C17H35NO5/c1-3-18-17(19)16-23-13-9-5-8-12-22-15-14-21-11-7-4-6-10-20-2/h3-16H2,1-2H3,(H,18,19)","MVYNEDGDADJOKN-UHFFFAOYSA-N"
"471","CCNC(=O)COCCOCCOCC","[R1]CCNC(=O)COCCOCCOCC[R2]","219.281","219.147058152","-0.14","15","0","4","1","10","56.79","C10H21NO4","InChI=1S/C10H21NO4/c1-3-11-10(12)9-15-8-7-14-6-5-13-4-2/h3-9H2,1-2H3,(H,11,12)","SNIYVBISNQQNQP-UHFFFAOYSA-N"
"472","CCNC(=O)COCCOCCOCCOCCOCC","[R1]CCNC(=O)COCCOCCOCCOCCOCC[R2]","307.387","307.199487648","-0.43","21","0","6","1","16","75.25","C14H29NO6","InChI=1S/C14H29NO6/c1-3-15-14(16)13-21-12-11-20-10-9-19-8-7-18-6-5-17-4-2/h3-13H2,1-2H3,(H,15,16)","ZZGOPRXTBIHCQJ-UHFFFAOYSA-N"
"473","CCCCC(=O)NCC","[R1]CCNC(=O)CCCC[R2]","129.203","129.1153641","1.28","9","0","1","1","4","29.1","C7H15NO","InChI=1S/C7H15NO/c1-3-5-6-7(9)8-4-2/h3-6H2,1-2H3,(H,8,9)","ZOQTYYYRQHZQAR-UHFFFAOYSA-N"
"474","CCOCCOCCN1C=C(COCC)N=N1","[R1]CCOCC1=CN(N=N1)CCOCCOCC[R2]","243.307","243.158291532","-0.25","17","1","6","0","10","58.4","C11H21N3O3","InChI=1S/C11H21N3O3/c1-3-15-7-8-17-6-5-14-9-11(12-13-14)10-16-4-2/h9H,3-8,10H2,1-2H3","QOLOWJNCZRRAHU-UHFFFAOYSA-N"
"475","CCOCCOCCN1C=C(CCCC=O)N=N1","[R1]C(=O)CCCC1=CN(N=N1)CCOCCOCC[R2]","255.318","255.158291532","-0.22","18","1","6","0","11","66.24","C12H21N3O3","InChI=1S/C12H21N3O3/c1-2-17-9-10-18-8-6-15-11-12(13-14-15)5-3-4-7-16/h7,11H,2-6,8-10H2,1H3","ITZCDTIFEKCUFV-UHFFFAOYSA-N"
"476","CCOCCOCCOCCO","[R1]CCOCCOCCOCCO[R2]","178.228","178.120509056","-0.53","12","0","4","1","9","47.92","C8H18O4","InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3","WFSMVVDJSNMRAR-UHFFFAOYSA-N"
"477","CCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]CCN1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2]","220.276","220.132411132","0.3","16","2","5","0","3","49.33","C11H16N4O","InChI=1S/C11H16N4O/c1-2-14-3-5-15(6-4-14)11-12-7-10(9-16)8-13-11/h7-9H,2-6H2,1H3","GNGGNAVEVANVSB-UHFFFAOYSA-N"
"478","CCCN1CCN(C2=CN=C(C=O)C=N2)CC1","[R1]CCCN1CCN(CC1)C2=NC=C(N=C2)C(=O)[R2]","234.303","234.148061196","0.74","17","2","5","0","4","49.33","C12H18N4O","InChI=1S/C12H18N4O/c1-2-3-15-4-6-16(7-5-15)12-9-13-11(10-17)8-14-12/h8-10H,2-7H2,1H3","YYDOCAUSPSENMY-UHFFFAOYSA-N"
"479","CCOCCOCCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCCOCCOCC[R2]","322.398","322.1991533","-0.86","22","0","7","0","19","72.45","C15H30O7","InChI=1S/C15H30O7/c1-2-17-6-7-19-10-11-21-14-15-22-13-12-20-9-8-18-5-3-4-16/h4H,2-3,5-15H2,1H3","YAMDEEMOVZPPRF-UHFFFAOYSA-N"
"480","CCOCCOCCOCCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCCOCCOCCOCC[R2]","366.451","366.225368048","-1.01","25","0","8","0","22","81.68","C17H34O8","InChI=1S/C17H34O8/c1-2-19-6-7-21-10-11-23-14-15-25-17-16-24-13-12-22-9-8-20-5-3-4-18/h4H,2-3,5-17H2,1H3","BOJVKVNRZUHKQQ-UHFFFAOYSA-N"
"481","CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCC[R2]","454.557","454.277797544","-1.3","31","0","10","0","28","100.14","C21H42O10","InChI=1S/C21H42O10/c1-2-23-6-7-25-10-11-27-14-15-29-18-19-31-21-20-30-17-16-28-13-12-26-9-8-24-5-3-4-22/h4H,2-3,5-21H2,1H3","GFMWTQARKWSFOE-UHFFFAOYSA-N"
"482","O=CCCOCCOCCC(=O)NCCCO","[R1]C(=O)CCOCCOCCC(=O)NCCCO[R2]","247.291","247.141972772","-1.71","17","0","5","2","12","84.86","C11H21NO5","InChI=1S/C11H21NO5/c13-5-1-4-12-11(15)3-8-17-10-9-16-7-2-6-14/h6,13H,1-5,7-10H2,(H,12,15)","FHHWBMOQOXPJTQ-UHFFFAOYSA-N"
"483","O=CCCOCCOCCOCCC(=O)NCCCO","[R1]C(=O)CCOCCOCCOCCC(=O)NCCCO[R2]","291.344","291.16818752","-1.86","20","0","6","2","15","94.09","C13H25NO6","InChI=1S/C13H25NO6/c15-5-1-4-14-13(17)3-8-19-10-12-20-11-9-18-7-2-6-16/h6,15H,1-5,7-12H2,(H,14,17)","BPHLQRMSGMPZBJ-UHFFFAOYSA-N"
"484","O=CCCOCCOCCOCCOCCOCCC(=O)NCCCO","[R1]C(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCO[R2]","379.45","379.220617016","-2.16","26","0","8","2","21","112.55","C17H33NO8","InChI=1S/C17H33NO8/c19-5-1-4-18-17(21)3-8-23-10-12-25-14-16-26-15-13-24-11-9-22-7-2-6-20/h6,19H,1-5,7-16H2,(H,18,21)","XQFFPESYTIAUBO-UHFFFAOYSA-N"
"485","O=CCCOCCOCCOCCC(=O)NCCO","[R1]C(=O)CCOCCOCCOCCC(=O)NCCO[R2]","277.317","277.152537456","-2.22","19","0","6","2","14","94.09","C12H23NO6","InChI=1S/C12H23NO6/c14-4-1-6-17-8-10-19-11-9-18-7-2-12(16)13-3-5-15/h4,15H,1-3,5-11H2,(H,13,16)","IUYGDSIFHWLZOJ-UHFFFAOYSA-N"
"486","O=CCCOCCOCCOCCOCCOCCOCCC(=O)NCCO","[R1]C(=O)CCOCCOCCOCCOCCOCCOCCC(=O)NCCO[R2]","409.476","409.2311817","-2.66","28","0","9","2","23","121.78","C18H35NO9","InChI=1S/C18H35NO9/c20-4-1-6-23-8-10-25-12-14-27-16-17-28-15-13-26-11-9-24-7-2-18(22)19-3-5-21/h4,21H,1-3,5-17H2,(H,19,22)","URXUTUCXMCFYQP-UHFFFAOYSA-N"
"487","O=CCCOCCOCCOCCOCCOCCOCCC(=O)NCCCO","[R1]C(=O)CCOCCOCCOCCOCCOCCOCCC(=O)NCCCO[R2]","423.503","423.246831764","-2.3","29","0","9","2","24","121.78","C19H37NO9","InChI=1S/C19H37NO9/c21-5-1-4-20-19(23)3-8-25-10-12-27-14-16-29-18-17-28-15-13-26-11-9-24-7-2-6-22/h6,21H,1-5,7-18H2,(H,20,23)","VOWVHARCXATYBQ-UHFFFAOYSA-N"
"488","O=CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCO","[R1]C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCO[R2]","555.662","555.325476008","-2.75","38","0","12","2","33","149.47","C25H49NO12","InChI=1S/C25H49NO12/c27-5-1-4-26-25(29)3-8-31-10-12-33-14-16-35-18-20-37-22-24-38-23-21-36-19-17-34-15-13-32-11-9-30-7-2-6-28/h6,27H,1-5,7-24H2,(H,26,29)","XILVHWQJUGZJDA-UHFFFAOYSA-N"
"489","O=CCCOCCOCCOCCOCCOCCN1C=C(CO)N=N1","[R1]C(=O)CCOCCOCCOCCOCCOCCN1C=C(N=N1)CO[R2]","375.422","375.200550268","-2.53","26","1","10","1","19","114.16","C16H29N3O7","InChI=1S/C16H29N3O7/c20-3-1-4-22-6-8-24-10-12-26-13-11-25-9-7-23-5-2-19-14-16(15-21)17-18-19/h3,14,21H,1-2,4-13,15H2","FSOCHXPSNNQMBS-UHFFFAOYSA-N"
"490","COCCOCCOCCOC","[R1]COCCOCCOCCOC[R2]","178.228","178.120509056","-0.36","12","0","4","0","9","36.92","C8H18O4","InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3","YFNKIDBQEZZDLK-UHFFFAOYSA-N"
"491","COCCOCCOCCOCCOC","[R1]COCCOCCOCCOCCOC[R2]","222.281","222.146723804","-0.51","15","0","5","0","12","46.15","C10H22O5","InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3","ZUHZGEOKBKGPSW-UHFFFAOYSA-N"
"492","COCCOCCOCCOCCOCCOC","[R1]COCCOCCOCCOCCOCCOC[R2]","266.334","266.172938552","-0.66","18","0","6","0","15","55.38","C12H26O6","InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3","DMDPGPKXQDIQQG-UHFFFAOYSA-N"
"493","CC(=O)NCCOCCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCCNC(=O)C[R2]","388.465","388.232184744","-1.4","27","1","9","1","18","105.96","C17H32N4O6","InChI=1S/C17H32N4O6/c1-16-15-21(20-19-16)4-6-24-8-10-26-12-14-27-13-11-25-9-7-23-5-3-18-17(2)22/h15H,3-14H2,1-2H3,(H,18,22)","UUBGNOYJKQHNOQ-UHFFFAOYSA-N"
"494","CCCCC1=CN(CCOCC)N=N1","[R1]CCCCC1=CN(N=N1)CCOCC[R2]","197.282","197.152812228","1.57","14","1","4","0","7","39.94","C10H19N3O","InChI=1S/C10H19N3O/c1-3-5-6-10-9-13(12-11-10)7-8-14-4-2/h9H,3-8H2,1-2H3","JZZCXCHBVFODNW-UHFFFAOYSA-N"
"495","CCCCC1=CN(CCOCCOCC)N=N1","[R1]CCCCC1=CN(N=N1)CCOCCOCC[R2]","241.335","241.179026976","1.43","17","1","5","0","10","49.17","C12H23N3O2","InChI=1S/C12H23N3O2/c1-3-5-6-12-11-15(14-13-12)7-8-17-10-9-16-4-2/h11H,3-10H2,1-2H3","BINIRCXGDOCLLP-UHFFFAOYSA-N"
"496","CCCCC1=CN(CCOCCOCCOCC)N=N1","[R1]CCCCC1=CN(N=N1)CCOCCOCCOCC[R2]","285.388","285.205241724","1.28","20","1","6","0","13","58.4","C14H27N3O3","InChI=1S/C14H27N3O3/c1-3-5-6-14-13-17(16-15-14)7-8-19-11-12-20-10-9-18-4-2/h13H,3-12H2,1-2H3","SGOFPUDMPULTSZ-UHFFFAOYSA-N"
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"512","O=CCOCCOCCOCCOC1=CC=C(O)C=C1","[R1]C(=O)COCCOCCOCCOC1=CC=C(C=C1)O[R2]","284.308","284.12598836","0.63","20","1","6","1","12","74.22","C14H20O6","InChI=1S/C14H20O6/c15-5-6-17-7-8-18-9-10-19-11-12-20-14-3-1-13(16)2-4-14/h1-5,16H,6-12H2","ISVAGPFLGNBSTE-UHFFFAOYSA-N"
"513","NCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCN[R2]","220.269","220.14230712","-1.24","15","0","5","2","12","82.81","C9H20N2O4","InChI=1S/C9H20N2O4/c10-1-3-13-5-7-15-8-6-14-4-2-11-9-12/h9H,1-8,10H2,(H,11,12)","OYZLQBKGSLNULP-UHFFFAOYSA-N"
"514","CCCOCCOCCOCC","[R1]CCCOCCOCCOCC[R2]","176.256","176.1412445","1.04","12","0","3","0","9","27.69","C9H20O3","InChI=1S/C9H20O3/c1-3-5-11-8-9-12-7-6-10-4-2/h3-9H2,1-2H3","PXQCQQARRAYIFS-UHFFFAOYSA-N"
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"516","CCOC1=CC=CC(OCCO)=C1","[R1]OCCOC1=CC=CC(=C1)OCC[R2]","182.219","182.094294308","1.55","13","1","3","1","5","38.69","C10H14O3","InChI=1S/C10H14O3/c1-2-12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,2,6-7H2,1H3","QRYGDQPYLYVBTJ-UHFFFAOYSA-N"
"517","CCOC1=CC=CC=C1OCCO","[R1]OCCOC1=CC=CC=C1OCC[R2]","182.219","182.094294308","1.55","13","1","3","1","5","38.69","C10H14O3","InChI=1S/C10H14O3/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6,11H,2,7-8H2,1H3","KOFVDOFNEZNSKF-UHFFFAOYSA-N"
"518","CCCCC(=O)NC","[R1]CNC(=O)CCCC[R2]","115.176","115.099714036","0.91","8","0","1","1","3","29.1","C6H13NO","InChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h3-5H2,1-2H3,(H,7,8)","XKEKKGKDCHCOSA-UHFFFAOYSA-N"
"519","CCCC(=O)NC","[R1]CNC(=O)CCC[R2]","101.149","101.084063972","0.37","7","0","1","1","2","29.1","C5H11NO","InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7)","OLLZXQIFCRIRMH-UHFFFAOYSA-N"
"520","CCCCCC(=O)NC","[R1]CNC(=O)CCCCC[R2]","129.203","129.1153641","1.45","9","0","1","1","4","29.1","C7H15NO","InChI=1S/C7H15NO/c1-3-4-5-6-7(9)8-2/h3-6H2,1-2H3,(H,8,9)","RSPBQSYWXAROOO-UHFFFAOYSA-N"
"521","CCOCCC(=O)NC","[R1]CNC(=O)CCOCC[R2]","131.175","131.094628656","-0.31","9","0","2","1","4","38.33","C6H13NO2","InChI=1S/C6H13NO2/c1-3-9-5-4-6(8)7-2/h3-5H2,1-2H3,(H,7,8)","WUEOXQAHIGLVQF-UHFFFAOYSA-N"
"522","CCCCCCC(=O)NC","[R1]CNC(=O)CCCCCC[R2]","143.23","143.131014164","1.99","10","0","1","1","5","29.1","C8H17NO","InChI=1S/C8H17NO/c1-3-4-5-6-7-8(10)9-2/h3-7H2,1-2H3,(H,9,10)","PRCOHDSOXCGBAX-UHFFFAOYSA-N"
"523","CCCCCCCC(=O)NC","[R1]CNC(=O)CCCCCCC[R2]","157.257","157.146664228","2.53","11","0","1","1","6","29.1","C9H19NO","InChI=1S/C9H19NO/c1-3-4-5-6-7-8-9(11)10-2/h3-8H2,1-2H3,(H,10,11)","XDXKSZZAKNNKSG-UHFFFAOYSA-N"
"524","CCOCCOCCC(=O)NC","[R1]CNC(=O)CCOCCOCC[R2]","175.228","175.120843404","-0.45","12","0","3","1","7","47.56","C8H17NO3","InChI=1S/C8H17NO3/c1-3-11-6-7-12-5-4-8(10)9-2/h3-7H2,1-2H3,(H,9,10)","GHLLCTDCHRCASG-UHFFFAOYSA-N"
"525","CCOCCOCCOCCC(=O)NC","[R1]CNC(=O)CCOCCOCCOCC[R2]","219.281","219.147058152","-0.6","15","0","4","1","10","56.79","C10H21NO4","InChI=1S/C10H21NO4/c1-3-13-6-7-15-9-8-14-5-4-10(12)11-2/h3-9H2,1-2H3,(H,11,12)","MLKNWKNNXGTPDS-UHFFFAOYSA-N"
"526","CCOCCOCCOCCOCCC(=O)NC","[R1]CNC(=O)CCOCCOCCOCCOCC[R2]","263.334","263.1732729","-0.75","18","0","5","1","13","66.02","C12H25NO5","InChI=1S/C12H25NO5/c1-3-15-6-7-17-10-11-18-9-8-16-5-4-12(14)13-2/h3-11H2,1-2H3,(H,13,14)","RVTMVIKCTXIPNF-UHFFFAOYSA-N"
"527","CCOCCOCCOCCOCCOCCC(=O)NC","[R1]CNC(=O)CCOCCOCCOCCOCCOCC[R2]","307.387","307.199487648","-0.9","21","0","6","1","16","75.25","C14H29NO6","InChI=1S/C14H29NO6/c1-3-17-6-7-19-10-11-21-13-12-20-9-8-18-5-4-14(16)15-2/h3-13H2,1-2H3,(H,15,16)","KRBFLYOMQQTPTJ-UHFFFAOYSA-N"
"528","CCOCCN1C=C(CCCO)N=N1","[R1]OCCCC1=CN(N=N1)CCOCC[R2]","199.254","199.132076784","-0.19","14","1","5","1","7","60.17","C9H17N3O2","InChI=1S/C9H17N3O2/c1-2-14-7-5-12-8-9(10-11-12)4-3-6-13/h8,13H,2-7H2,1H3","IWSQPTMFHBEAHK-UHFFFAOYSA-N"
"529","CCOCCN1C=C(CCCCO)N=N1","[R1]OCCCCC1=CN(N=N1)CCOCC[R2]","213.281","213.147726848","0.17","15","1","5","1","8","60.17","C10H19N3O2","InChI=1S/C10H19N3O2/c1-2-15-8-6-13-9-10(11-12-13)5-3-4-7-14/h9,14H,2-8H2,1H3","DFTQGVZBCBLMFW-UHFFFAOYSA-N"
"530","CCOCCN1C=C(CCCCCO)N=N1","[R1]OCCCCCC1=CN(N=N1)CCOCC[R2]","227.308","227.163376912","0.52","16","1","5","1","9","60.17","C11H21N3O2","InChI=1S/C11H21N3O2/c1-2-16-9-7-14-10-11(12-13-14)6-4-3-5-8-15/h10,15H,2-9H2,1H3","HMEOFVRQQVDJFG-UHFFFAOYSA-N"
"531","CCOCCOCCN1C=C(CCCO)N=N1","[R1]OCCCC1=CN(N=N1)CCOCCOCC[R2]","243.307","243.158291532","-0.34","17","1","6","1","10","69.4","C11H21N3O3","InChI=1S/C11H21N3O3/c1-2-16-8-9-17-7-5-14-10-11(12-13-14)4-3-6-15/h10,15H,2-9H2,1H3","UNSWNVRCIMZFJJ-UHFFFAOYSA-N"
"532","CCOCCOCCN1C=C(CCCCO)N=N1","[R1]OCCCCC1=CN(N=N1)CCOCCOCC[R2]","257.334","257.173941596","0.02","18","1","6","1","11","69.4","C12H23N3O3","InChI=1S/C12H23N3O3/c1-2-17-9-10-18-8-6-15-11-12(13-14-15)5-3-4-7-16/h11,16H,2-10H2,1H3","PBBILCHMBMDMDY-UHFFFAOYSA-N"
"533","CCOCCOCCN1C=C(CCCCCO)N=N1","[R1]OCCCCCC1=CN(N=N1)CCOCCOCC[R2]","271.361","271.18959166","0.38","19","1","6","1","12","69.4","C13H25N3O3","InChI=1S/C13H25N3O3/c1-2-18-10-11-19-9-7-16-12-13(14-15-16)6-4-3-5-8-17/h12,17H,2-11H2,1H3","ADGKYXDPFMCPHG-UHFFFAOYSA-N"
"534","CCOCCOCCOCCN1C=C(CCCO)N=N1","[R1]OCCCC1=CN(N=N1)CCOCCOCCOCC[R2]","287.36","287.18450628","-0.48","20","1","7","1","13","78.63","C13H25N3O4","InChI=1S/C13H25N3O4/c1-2-18-8-9-20-11-10-19-7-5-16-12-13(14-15-16)4-3-6-17/h12,17H,2-11H2,1H3","PCHVTBIANZSUSG-UHFFFAOYSA-N"
"535","CCOCCOCCOCCN1C=C(CCCCO)N=N1","[R1]OCCCCC1=CN(N=N1)CCOCCOCCOCC[R2]","301.387","301.200156344","-0.13","21","1","7","1","14","78.63","C14H27N3O4","InChI=1S/C14H27N3O4/c1-2-19-9-10-21-12-11-20-8-6-17-13-14(15-16-17)5-3-4-7-18/h13,18H,2-12H2,1H3","VNTVPWWEIQTGQV-UHFFFAOYSA-N"
"536","CCOCCOCCOCCN1C=C(CCCCCO)N=N1","[R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCC[R2]","315.414","315.215806408","0.23","22","1","7","1","15","78.63","C15H29N3O4","InChI=1S/C15H29N3O4/c1-2-20-10-11-22-13-12-21-9-7-18-14-15(16-17-18)6-4-3-5-8-19/h14,19H,2-13H2,1H3","XCXTYYXCSPSSTJ-UHFFFAOYSA-N"
"537","CCOCCOCCOCCOCCN1C=C(CCCO)N=N1","[R1]OCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","331.413","331.210721028","-0.63","23","1","8","1","16","87.86","C15H29N3O5","InChI=1S/C15H29N3O5/c1-2-20-8-9-22-12-13-23-11-10-21-7-5-18-14-15(16-17-18)4-3-6-19/h14,19H,2-13H2,1H3","DMKCTBXHKFRVQM-UHFFFAOYSA-N"
"538","CCOCCOCCOCCOCCN1C=C(CCCCO)N=N1","[R1]OCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","345.44","345.226371092","-0.28","24","1","8","1","17","87.86","C16H31N3O5","InChI=1S/C16H31N3O5/c1-2-21-9-10-23-13-14-24-12-11-22-8-6-19-15-16(17-18-19)5-3-4-7-20/h15,20H,2-14H2,1H3","QFNQVKWRDXBDSY-UHFFFAOYSA-N"
"539","CCOCCOCCOCCOCCN1C=C(CCCCCO)N=N1","[R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","359.467","359.242021156","0.08","25","1","8","1","18","87.86","C17H33N3O5","InChI=1S/C17H33N3O5/c1-2-22-10-11-24-14-15-25-13-12-23-9-7-20-16-17(18-19-20)6-4-3-5-8-21/h16,21H,2-15H2,1H3","ZJBHOQJQDRHVFV-UHFFFAOYSA-N"
"540","CCOCCOCCOCCOCCOCCN1C=C(CCCO)N=N1","[R1]OCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2]","375.466","375.236935776","-0.78","26","1","9","1","19","97.09","C17H33N3O6","InChI=1S/C17H33N3O6/c1-2-22-8-9-24-12-13-26-15-14-25-11-10-23-7-5-20-16-17(18-19-20)4-3-6-21/h16,21H,2-15H2,1H3","OIVJUZPUZLKRGR-UHFFFAOYSA-N"
"541","CCOCCOCCOCCOCCOCCN1C=C(CCCCO)N=N1","[R1]OCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2]","389.493","389.25258584","-0.42","27","1","9","1","20","97.09","C18H35N3O6","InChI=1S/C18H35N3O6/c1-2-23-9-10-25-13-14-27-16-15-26-12-11-24-8-6-21-17-18(19-20-21)5-3-4-7-22/h17,22H,2-16H2,1H3","YEDVCDHMPLYQAJ-UHFFFAOYSA-N"
"542","CCOCCOCCOCCOCCOCCN1C=C(CCCCCO)N=N1","[R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2]","403.52","403.268235904","-0.07","28","1","9","1","21","97.09","C19H37N3O6","InChI=1S/C19H37N3O6/c1-2-24-10-11-26-14-15-28-17-16-27-13-12-25-9-7-22-18-19(20-21-22)6-4-3-5-8-23/h18,23H,2-17H2,1H3","RRFJMZCCJGNQLS-UHFFFAOYSA-N"
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"591","CC(=O)NCCCCNC(=O)CO","[R1]CC(=O)NCCCCNC(=O)CO[R2]","188.227","188.116092372","-1.08","13","0","3","3","6","78.43","C8H16N2O3","InChI=1S/C8H16N2O3/c1-7(12)9-4-2-3-5-10-8(13)6-11/h11H,2-6H2,1H3,(H,9,12)(H,10,13)","YEFZOXRWQYKCTR-UHFFFAOYSA-N"
"592","CC(=O)NCCCCCCCCNC(=O)CO","[R1]CC(=O)NCCCCCCCCNC(=O)CO[R2]","244.335","244.178692628","0.71","17","0","3","3","10","78.43","C12H24N2O3","InChI=1S/C12H24N2O3/c1-11(16)13-8-6-4-2-3-5-7-9-14-12(17)10-15/h15H,2-10H2,1H3,(H,13,16)(H,14,17)","PXSMGLZBYVTOHW-UHFFFAOYSA-N"
"593","CC(=O)NCCCOCCOCCOCCCNC(=O)CO","[R1]CC(=O)NCCCOCCOCCOCCCNC(=O)CO[R2]","320.386","320.194736616","-1.53","22","0","6","3","15","106.12","C14H28N2O6","InChI=1S/C14H28N2O6/c1-13(18)15-4-2-6-20-8-10-22-11-9-21-7-3-5-16-14(19)12-17/h17H,2-12H2,1H3,(H,15,18)(H,16,19)","PYXQPJNDXZWANA-UHFFFAOYSA-N"
"594","CC(=O)NCCCCCCO","[R1]CC(=O)NCCCCCCO[R2]","159.229","159.125928784","0.28","11","0","2","2","6","49.33","C8H17NO2","InChI=1S/C8H17NO2/c1-8(11)9-6-4-2-3-5-7-10/h10H,2-7H2,1H3,(H,9,11)","VJPODIJDERZHMG-UHFFFAOYSA-N"
"595","CC(=O)N1CCC(C2CCN(C(=O)CO)CC2)CC1","[R1]CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)CO[R2]","268.357","268.178692628","0.06","19","2","3","1","2","60.85","C14H24N2O3","InChI=1S/C14H24N2O3/c1-11(18)15-6-2-12(3-7-15)13-4-8-16(9-5-13)14(19)10-17/h12-13,17H,2-10H2,1H3","KUBRWDVJAZPXJP-UHFFFAOYSA-N"
"596","COCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOC[R2]","161.201","161.10519334","-0.75","11","0","3","1","6","47.56","C7H15NO3","InChI=1S/C7H15NO3/c1-7(9)8-3-4-11-6-5-10-2/h3-6H2,1-2H3,(H,8,9)","LOQWIGQMEJJWNU-UHFFFAOYSA-N"
"597","CCNC(=O)CCOCC","[R1]CCNC(=O)CCOCC[R2]","145.202","145.11027872","0.06","10","0","2","1","5","38.33","C7H15NO2","InChI=1S/C7H15NO2/c1-3-8-7(9)5-6-10-4-2/h3-6H2,1-2H3,(H,8,9)","YEGOEFQOEQJSRZ-UHFFFAOYSA-N"
"598","CCNC(=O)CCOCCOCCO","[R1]OCCOCCOCCC(=O)NCC[R2]","205.254","205.131408088","-1.14","14","0","4","2","9","67.79","C9H19NO4","InChI=1S/C9H19NO4/c1-2-10-9(12)3-5-13-7-8-14-6-4-11/h11H,2-8H2,1H3,(H,10,12)","GIUBFYPQILEXBY-UHFFFAOYSA-N"
"599","CCNC(=O)CCOCCOCCOCCOCCO","[R1]CCNC(=O)CCOCCOCCOCCOCCO[R2]","293.36","293.183837584","-1.43","20","0","6","2","15","86.25","C13H27NO6","InChI=1S/C13H27NO6/c1-2-14-13(16)3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h15H,2-12H2,1H3,(H,14,16)","DATGOUIAIUXPPU-UHFFFAOYSA-N"
"600","CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCO","[R1]CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCO[R2]","469.572","469.288696576","-2.02","32","0","10","2","27","123.17","C21H43NO10","InChI=1S/C21H43NO10/c1-2-22-21(24)3-5-25-7-9-27-11-13-29-15-17-31-19-20-32-18-16-30-14-12-28-10-8-26-6-4-23/h23H,2-20H2,1H3,(H,22,24)","ZISVZBSOFTWHBM-UHFFFAOYSA-N"
"601","CCNC(=O)CCCCCO","[R1]CCNC(=O)CCCCCO[R2]","159.229","159.125928784","0.23","11","0","2","2","6","49.33","C8H17NO2","InChI=1S/C8H17NO2/c1-2-9-8(11)6-4-3-5-7-10/h10H,2-7H2,1H3,(H,9,11)","QHLUIQTVNISOIX-UHFFFAOYSA-N"
"602","CCNC(=O)CCCCCCCO","[R1]CCNC(=O)CCCCCCCO[R2]","187.283","187.157228912","1.31","13","0","2","2","8","49.33","C10H21NO2","InChI=1S/C10H21NO2/c1-2-11-10(13)8-6-4-3-5-7-9-12/h12H,2-9H2,1H3,(H,11,13)","XLRRTYKEUHTHAB-UHFFFAOYSA-N"
"603","CCNC(=O)CCCCCCCCO","[R1]CCNC(=O)CCCCCCCCO[R2]","201.31","201.172878976","1.85","14","0","2","2","9","49.33","C11H23NO2","InChI=1S/C11H23NO2/c1-2-12-11(14)9-7-5-3-4-6-8-10-13/h13H,2-10H2,1H3,(H,12,14)","MWKCVHREYBCVST-UHFFFAOYSA-N"
"604","O=CCOCCN1C=C(CNC=O)N=N1","[R1]C(=O)NCC1=CN(N=N1)CCOCC(=O)[R2]","212.209","212.090940244","-1.24","15","1","6","1","8","86.11","C8H12N4O3","InChI=1S/C8H12N4O3/c13-2-4-15-3-1-12-6-8(10-11-12)5-9-7-14/h2,6-7H,1,3-5H2,(H,9,14)","FAZNERCMJWLWII-UHFFFAOYSA-N"
"605","O=CCOCCOCCN1C=C(CNC=O)N=N1","[R1]C(=O)NCC1=CN(N=N1)CCOCCOCC(=O)[R2]","256.262","256.117154992","-1.39","18","1","7","1","11","95.34","C10H16N4O4","InChI=1S/C10H16N4O4/c15-2-4-18-6-5-17-3-1-14-8-10(12-13-14)7-11-9-16/h2,8-9H,1,3-7H2,(H,11,16)","BVDRXENQISFSCE-UHFFFAOYSA-N"
"606","O=CCOCCOCCOCCN1C=C(CNC=O)N=N1","[R1]C(=O)NCC1=CN(N=N1)CCOCCOCCOCC(=O)[R2]","300.315","300.14336974","-1.54","21","1","8","1","14","104.57","C12H20N4O5","InChI=1S/C12H20N4O5/c17-2-4-20-6-8-21-7-5-19-3-1-16-10-12(14-15-16)9-13-11-18/h2,10-11H,1,3-9H2,(H,13,18)","WERPWBACJUTJFQ-UHFFFAOYSA-N"
"607","O=CCOCCOCCOCCOCCN1C=C(CNC=O)N=N1","[R1]C(=O)NCC1=CN(N=N1)CCOCCOCCOCCOCC(=O)[R2]","344.368","344.169584488","-1.69","24","1","9","1","17","113.8","C14H24N4O6","InChI=1S/C14H24N4O6/c19-2-4-22-6-8-24-10-9-23-7-5-21-3-1-18-12-14(16-17-18)11-15-13-20/h2,12-13H,1,3-11H2,(H,15,20)","XGFNLYULIBUKHN-UHFFFAOYSA-N"
"608","CCCOCCOCCOCCCNC=O","[R1]C(=O)NCCCOCCOCCOCCC[R2]","233.308","233.162708216","0.95","16","0","4","1","13","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-2-5-14-7-9-16-10-8-15-6-3-4-12-11-13/h11H,2-10H2,1H3,(H,12,13)","YCNHUBWRMHEXTJ-UHFFFAOYSA-N"
"609","O=CNCCOCCOCCOCCNC(=O)CO","[R1]C(=O)NCCOCCOCCOCCNC(=O)CO[R2]","278.305","278.147786424","-1.64","19","0","6","3","14","106.12","C11H22N2O6","InChI=1S/C11H22N2O6/c14-9-11(16)13-2-4-18-6-8-19-7-5-17-3-1-12-10-15/h10,14H,1-9H2,(H,12,15)(H,13,16)","KFXXYDXPDPSTKQ-UHFFFAOYSA-N"
"610","O=CNCCOCCCOCCCOCCNC(=O)CO","[R1]C(=O)NCCOCCCOCCCOCCNC(=O)CO[R2]","306.359","306.179086552","-0.92","21","0","6","3","16","106.12","C13H26N2O6","InChI=1S/C13H26N2O6/c16-11-13(18)15-4-10-21-8-2-6-19-5-1-7-20-9-3-14-12-17/h12,16H,1-11H2,(H,14,17)(H,15,18)","OWJZTKVATBQRQW-UHFFFAOYSA-N"
"611","O=CNCCOCCOCCNC(=O)CO","[R1]C(=O)NCCOCCOCCNC(=O)CO[R2]","234.252","234.121571676","-1.49","16","0","5","3","11","96.89","C9H18N2O5","InChI=1S/C9H18N2O5/c12-7-9(14)11-2-4-16-6-5-15-3-1-10-8-13/h8,12H,1-7H2,(H,10,13)(H,11,14)","QIMRSKVQPPNDRK-UHFFFAOYSA-N"
"612","O=CNCCCCCCNC(=O)CO","[R1]C(=O)NCCCCCCNC(=O)CO[R2]","202.254","202.131742436","0.23","14","0","3","3","9","78.43","C9H18N2O3","InChI=1S/C9H18N2O3/c12-7-9(14)11-6-4-2-1-3-5-10-8-13/h8,12H,1-7H2,(H,10,13)(H,11,14)","WGDQNVYGYCISGI-UHFFFAOYSA-N"
"613","CCOCCOCCOCCNC(C)=O","[R1]CCOCCOCCOCCNC(=O)C[R2]","219.281","219.147058152","-0.54","15","0","4","1","10","56.79","C10H21NO4","InChI=1S/C10H21NO4/c1-3-13-6-7-15-9-8-14-5-4-11-10(2)12/h3-9H2,1-2H3,(H,11,12)","JOVFTSYTPCENPI-UHFFFAOYSA-N"
"614","O=CCCC(=O)NCCCCCCCCNC(=O)CO","[R1]C(=O)CCC(=O)NCCCCCCCCNC(=O)CO[R2]","286.372","286.189257312","0.08","20","0","4","3","13","95.5","C14H26N2O4","InChI=1S/C14H26N2O4/c17-11-7-8-13(19)15-9-5-3-1-2-4-6-10-16-14(20)12-18/h11,18H,1-10,12H2,(H,15,19)(H,16,20)","LXFPQXZBCPFWNJ-UHFFFAOYSA-N"
"615","CCCNC(=O)CCOCCOCC","[R1]CCCNC(=O)CCOCCOCC[R2]","203.282","203.152143532","0.44","14","0","3","1","9","47.56","C10H21NO3","InChI=1S/C10H21NO3/c1-3-6-11-10(12)5-7-14-9-8-13-4-2/h3-9H2,1-2H3,(H,11,12)","NEWWMLJVESJAAF-UHFFFAOYSA-N"
"616","NCCNC(=O)CCCC=O","[R1]NCCNC(=O)CCCC(=O)[R2]","158.201","158.105527688","-1.68","11","0","3","2","6","72.19","C7H14N2O2","InChI=1S/C7H14N2O2/c8-4-5-9-7(11)3-1-2-6-10/h6H,1-5,8H2,(H,9,11)","CEUGEDINLFNUSC-UHFFFAOYSA-N"
"617","O=CCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCC(=O)[R2]","184.239","184.121177752","-1.21","13","1","3","1","4","49.41","C9H16N2O2","InChI=1S/C9H16N2O2/c12-8-2-1-3-9(13)11-6-4-10-5-7-11/h8,10H,1-7H2","SLIHUUCJUNRANB-UHFFFAOYSA-N"
"618","NCCCCNC(=O)CCCC=O","[R1]NCCCCNC(=O)CCCC(=O)[R2]","186.255","186.136827816","-0.96","13","0","3","2","8","72.19","C9H18N2O2","InChI=1S/C9H18N2O2/c10-6-2-3-7-11-9(13)5-1-4-8-12/h8H,1-7,10H2,(H,11,13)","RHVPBISPAJWJGG-UHFFFAOYSA-N"
"619","NCCCNC(=O)CCCC=O","[R1]NCCCNC(=O)CCCC(=O)[R2]","172.228","172.121177752","-1.32","12","0","3","2","7","72.19","C8H16N2O2","InChI=1S/C8H16N2O2/c9-5-3-6-10-8(12)4-1-2-7-11/h7H,1-6,9H2,(H,10,12)","XRFMLSFNHDXOHL-UHFFFAOYSA-N"
"620","NCCCCCNC(=O)CCCC=O","[R1]NCCCCCNC(=O)CCCC(=O)[R2]","200.282","200.15247788","-0.6","14","0","3","2","9","72.19","C10H20N2O2","InChI=1S/C10H20N2O2/c11-7-3-1-4-8-12-10(14)6-2-5-9-13/h9H,1-8,11H2,(H,12,14)","XJUKTVLMFRDALL-UHFFFAOYSA-N"
"621","O=CCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)[R2]","170.212","170.105527688","-1.57","12","1","3","1","3","49.41","C8H14N2O2","InChI=1S/C8H14N2O2/c11-7-1-2-8(12)10-5-3-9-4-6-10/h7,9H,1-6H2","DHPNOXGPTQKXSO-UHFFFAOYSA-N"
"622","NCCNC(=O)CCC=O","[R1]NCCNC(=O)CCC(=O)[R2]","144.174","144.089877624","-2.03","10","0","3","2","5","72.19","C6H12N2O2","InChI=1S/C6H12N2O2/c7-3-4-8-6(10)2-1-5-9/h5H,1-4,7H2,(H,8,10)","KJBWSGQVSDIYTF-UHFFFAOYSA-N"
"623","NCCNC(=O)COCC=O","[R1]NCCNC(=O)COCC(=O)[R2]","160.173","160.084792244","-1.99","11","0","4","2","6","81.42","C6H12N2O3","InChI=1S/C6H12N2O3/c7-1-2-8-6(10)5-11-4-3-9/h3H,1-2,4-5,7H2,(H,8,10)","FXQPSFDYDXNJOE-UHFFFAOYSA-N"
"624","O=CCCCN1C=C(COCCOCCO)N=N1","[R1]C(=O)CCCN1C=C(N=N1)COCCOCCO[R2]","257.29","257.137556088","-1.73","18","1","7","1","11","86.47","C11H19N3O4","InChI=1S/C11H19N3O4/c15-4-2-1-3-14-9-11(12-13-14)10-18-8-7-17-6-5-16/h4,9,16H,1-3,5-8,10H2","CWABEEFATYGLMY-UHFFFAOYSA-N"
"625","O=CCCCN1C=C(COCCOCCOCCO)N=N1","[R1]C(=O)CCCN1C=C(N=N1)COCCOCCOCCO[R2]","301.343","301.163770836","-1.88","21","1","8","1","14","95.7","C13H23N3O5","InChI=1S/C13H23N3O5/c17-4-2-1-3-16-11-13(14-15-16)12-21-10-9-20-8-7-19-6-5-18/h4,11,18H,1-3,5-10,12H2","YHEGHZHPIWGXTC-UHFFFAOYSA-N"
"626","O=CCOCCOCCO","[R1]C(=O)COCCOCCO[R2]","148.158","148.073558864","-1.22","10","0","4","1","7","55.76","C6H12O4","InChI=1S/C6H12O4/c7-1-3-9-5-6-10-4-2-8/h1,8H,2-6H2","UKSDOCCELISUDS-UHFFFAOYSA-N"
"627","O=CCOCCOCCOCCOCCO","[R1]C(=O)COCCOCCOCCOCCO[R2]","236.264","236.12598836","-1.52","16","0","6","1","13","74.22","C10H20O6","InChI=1S/C10H20O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h1,12H,2-10H2","YLRRZGLZQJPGIB-UHFFFAOYSA-N"
"628","O=CCCCO","[R1]C(=O)CCCO[R2]","88.106","88.052429496","-0.67","6","0","2","1","3","37.3","C4H8O2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","PIAOXUVIBAKVSP-UHFFFAOYSA-N"
"629","O=CCCCCO","[R1]C(=O)CCCCO[R2]","102.133","102.06807956","-0.31","7","0","2","1","4","37.3","C5H10O2","InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2","CNRGMQRNYAIBTN-UHFFFAOYSA-N"
"630","O=CCCCCCO","[R1]C(=O)CCCCCO[R2]","116.16","116.083729624","0.05","8","0","2","1","5","37.3","C6H12O2","InChI=1S/C6H12O2/c7-5-3-1-2-4-6-8/h5,8H,1-4,6H2","FPFTWHJPEMPAGE-UHFFFAOYSA-N"
"631","O=CCCCCCCO","[R1]C(=O)CCCCCCO[R2]","130.187","130.099379688","0.59","9","0","2","1","6","37.3","C7H14O2","InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7-9/h6,9H,1-5,7H2","JOXWSBFBXNGDFD-UHFFFAOYSA-N"
"632","CCCCC1=CN(CCOCCOCCOCCOCCOCC)N=N1","[R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2]","373.494","373.25767122","0.98","26","1","8","0","19","76.86","C18H35N3O5","InChI=1S/C18H35N3O5/c1-3-5-6-18-17-21(20-19-18)7-8-23-11-12-25-15-16-26-14-13-24-10-9-22-4-2/h17H,3-16H2,1-2H3","GSUYJWNWMQZZGH-UHFFFAOYSA-N"
"633","CCCCC(=O)NCCOCCOCCOCC","[R1]CCCCC(=O)NCCOCCOCCOCC[R2]","261.362","261.194008344","0.83","18","0","4","1","13","56.79","C13H27NO4","InChI=1S/C13H27NO4/c1-3-5-6-13(15)14-7-8-17-11-12-18-10-9-16-4-2/h3-12H2,1-2H3,(H,14,15)","SKVWTCBCFAUHJU-UHFFFAOYSA-N"
"634","CCCCCC(=O)NCCOCCOCCOCC","[R1]CCCCCC(=O)NCCOCCOCCOCC[R2]","275.389","275.209658408","1.38","19","0","4","1","14","56.79","C14H29NO4","InChI=1S/C14H29NO4/c1-3-5-6-7-14(16)15-8-9-18-12-13-19-11-10-17-4-2/h3-13H2,1-2H3,(H,15,16)","NSRZCJUJFTZOLR-UHFFFAOYSA-N"
"635","CCCCC1=CN(CCOCCOCCOCCC)N=N1","[R1]CCCCC1=CN(N=N1)CCOCCOCCOCCC[R2]","299.415","299.220891788","1.81","21","1","6","0","14","58.4","C15H29N3O3","InChI=1S/C15H29N3O3/c1-3-5-6-15-14-18(17-16-15)7-9-20-11-13-21-12-10-19-8-4-2/h14H,3-13H2,1-2H3","NDFAKQBEFLGODK-UHFFFAOYSA-N"
"636","CCCCC1=CN(CCOCCOCCOCCOCCC)N=N1","[R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCC[R2]","343.468","343.247106536","1.66","24","1","7","0","17","67.63","C17H33N3O4","InChI=1S/C17H33N3O4/c1-3-5-6-17-16-20(19-18-17)7-9-22-11-13-24-15-14-23-12-10-21-8-4-2/h16H,3-15H2,1-2H3","HVTUOIAYHRVEIG-UHFFFAOYSA-N"
"637","CCOCCOCCOCCOCCOCCOCCOCC","[R1]CCOCCOCCOCCOCCOCCOCCOCC[R2]","338.441","338.230453428","-0.07","23","0","7","0","20","64.61","C16H34O7","InChI=1S/C16H34O7/c1-3-17-5-7-19-9-11-21-13-15-23-16-14-22-12-10-20-8-6-18-4-2/h3-16H2,1-2H3","AETIPHBKCCVQJU-UHFFFAOYSA-N"
"638","NCCCOCCOCCOCCCNC(=O)CO","[R1]NCCCOCCOCCOCCCNC(=O)CO[R2]","278.349","278.184171932","-1.78","19","0","6","3","14","103.04","C12H26N2O5","InChI=1S/C12H26N2O5/c13-3-1-5-17-7-9-19-10-8-18-6-2-4-14-12(16)11-15/h15H,1-11,13H2,(H,14,16)","LPMUYWFVSIBQPT-UHFFFAOYSA-N"
"639","NCCCCCCO","[R1]NCCCCCCO[R2]","117.192","117.1153641","0.03","8","0","2","2","5","46.25","C6H15NO","InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2","SUTWPJHCRAITLU-UHFFFAOYSA-N"
"640","OCCN1C=C(CNCC2=CC=CC=C2)N=N1","[R1]OCCN1C=C(N=N1)CNCC2=CC=C(C=C2)[R2]","232.287","232.132411132","-0.16","17","2","5","2","6","62.97","C12H16N4O","InChI=1S/C12H16N4O/c17-7-6-16-10-12(14-15-16)9-13-8-11-4-2-1-3-5-11/h1-5,10,13,17H,6-9H2","GKPQACDDXDBDBA-UHFFFAOYSA-N"
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"642","OCCCCN1C=C(CNCC2=CC=CC=C2)N=N1","[R1]OCCCCN1C=C(N=N1)CNCC2=CC=C(C=C2)[R2]","260.341","260.16371126","0.55","19","2","5","2","8","62.97","C14H20N4O","InChI=1S/C14H20N4O/c19-9-5-4-8-18-12-14(16-17-18)11-15-10-13-6-2-1-3-7-13/h1-3,6-7,12,15,19H,4-5,8-11H2","HXELQKPWCCNTSR-UHFFFAOYSA-N"
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"644","OCCCCCCN1C=C(CNCC2=CC=CC=C2)N=N1","[R1]OCCCCCCN1C=C(N=N1)CNCC2=CC=C(C=C2)[R2]","288.395","288.195011388","1.27","21","2","5","2","10","62.97","C16H24N4O","InChI=1S/C16H24N4O/c21-11-7-2-1-6-10-20-14-16(18-19-20)13-17-12-15-8-4-3-5-9-15/h3-5,8-9,14,17,21H,1-2,6-7,10-13H2","QMVZZMVMANFZMQ-UHFFFAOYSA-N"
"645","OCCCCCCCN1C=C(CNCC2=CC=CC=C2)N=N1","[R1]OCCCCCCCN1C=C(N=N1)CNCC2=CC=C(C=C2)[R2]","302.422","302.210661452","1.81","22","2","5","2","11","62.97","C17H26N4O","InChI=1S/C17H26N4O/c22-12-8-3-1-2-7-11-21-15-17(19-20-21)14-18-13-16-9-5-4-6-10-16/h4-6,9-10,15,18,22H,1-3,7-8,11-14H2","SMRNNCAVAQDLKA-UHFFFAOYSA-N"
"646","CCCCCCCCCCCC","[R1]CCCCCCCCCCCC[R2]","170.34","170.203450832","6.72","12","0","0","0","9","0","C12H26","InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","SNRUBQQJIBEYMU-UHFFFAOYSA-N"
"647","CCCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCC[R2]","184.323","184.182715388","4.89","13","0","1","0","10","17.07","C12H24O","InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3","HFJRKMMYBMWEAD-UHFFFAOYSA-N"
"648","CCCOCCOCCOCCOCCOCCOCCOCCOCC","[R1]CCCOCCOCCOCCOCCOCCOCCOCCOCC[R2]","396.521","396.27231824","0.31","27","0","8","0","24","73.84","C19H40O8","InChI=1S/C19H40O8/c1-3-5-21-8-9-23-12-13-25-16-17-27-19-18-26-15-14-24-11-10-22-7-6-20-4-2/h3-19H2,1-2H3","PNZYVXVXQOENSX-UHFFFAOYSA-N"
"649","CCOCCOCCNC(=O)CC","[R1]CCC(=O)NCCOCCOCC[R2]","189.255","189.136493468","0.08","13","0","3","1","8","47.56","C9H19NO3","InChI=1S/C9H19NO3/c1-3-9(11)10-5-6-13-8-7-12-4-2/h3-8H2,1-2H3,(H,10,11)","QKYXHWUMMQJDMD-UHFFFAOYSA-N"
"650","CCCNC1=CC=C(OCCOCC)C=C1","[R1]CCCNC1=CC=C(C=C1)OCCOCC[R2]","223.316","223.157228912","2.99","16","1","3","1","8","30.49","C13H21NO2","InChI=1S/C13H21NO2/c1-3-9-14-12-5-7-13(8-6-12)16-11-10-15-4-2/h5-8,14H,3-4,9-11H2,1-2H3","WKDQTXUJGGIDFP-UHFFFAOYSA-N"
"651","CCCNC1=CC=C(OCCOCCOCC)C=C1","[R1]CCCNC1=CC=C(C=C1)OCCOCCOCC[R2]","267.369","267.18344366","2.84","19","1","4","1","11","39.72","C15H25NO3","InChI=1S/C15H25NO3/c1-3-9-16-14-5-7-15(8-6-14)19-13-12-18-11-10-17-4-2/h5-8,16H,3-4,9-13H2,1-2H3","CQYNWZNEZRJJIC-UHFFFAOYSA-N"
"652","CCCN1C=C(CNC2=CC=C(OCCOCC)C=C2)N=N1","[R1]CCCN1C=C(N=N1)CNC2=CC=C(C=C2)OCCOCC[R2]","304.394","304.189926008","2.22","22","2","6","1","10","61.2","C16H24N4O2","InChI=1S/C16H24N4O2/c1-3-9-20-13-15(18-19-20)12-17-14-5-7-16(8-6-14)22-11-10-21-4-2/h5-8,13,17H,3-4,9-12H2,1-2H3","CVYQFNNRJNFSIS-UHFFFAOYSA-N"
"653","CCCN1C=C(CNC2=CC=C(OCCOCCOCC)C=C2)N=N1","[R1]CCCN1C=C(N=N1)CNC2=CC=C(C=C2)OCCOCCOCC[R2]","348.447","348.216140756","2.07","25","2","7","1","13","70.43","C18H28N4O3","InChI=1S/C18H28N4O3/c1-3-9-22-15-17(20-21-22)14-19-16-5-7-18(8-6-16)25-13-12-24-11-10-23-4-2/h5-8,15,19H,3-4,9-14H2,1-2H3","YXNMWXZHLHSOFQ-UHFFFAOYSA-N"
"654","CCCCCCNC=O","[R1]C(=O)NCCCCCC[R2]","129.203","129.1153641","2.48","9","0","1","1","6","29.1","C7H15NO","InChI=1S/C7H15NO/c1-2-3-4-5-6-8-7-9/h7H,2-6H2,1H3,(H,8,9)","NHTXRWUMLXSOGJ-UHFFFAOYSA-N"
"655","O=CNCCOCCOCCO","[R1]C(=O)NCCOCCOCCO[R2]","177.2","177.10010796","-0.84","12","0","4","2","9","67.79","C7H15NO4","InChI=1S/C7H15NO4/c9-2-4-12-6-5-11-3-1-8-7-10/h7,9H,1-6H2,(H,8,10)","UZVKVPOLCGMMJN-UHFFFAOYSA-N"
"656","CCOCCOCCOCCOCCOCC=O","[R1]CCOCCOCCOCCOCCOCC(=O)[R2]","264.318","264.157288488","-0.61","18","0","6","0","15","63.22","C12H24O6","InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h3H,2,4-12H2,1H3","CWLPBNKOWOZCQP-UHFFFAOYSA-N"
"657","CCCCCCCN","[R1]NCCCCCCC[R2]","115.22","115.136099544","2.16","8","0","1","1","5","26.02","C7H17N","InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3","WJYIASZWHGOTOU-UHFFFAOYSA-N"
"658","CCCCCCOCCOCC","[R1]CCCCCCOCCOCC[R2]","174.284","174.161979944","2.63","12","0","2","0","9","18.46","C10H22O2","InChI=1S/C10H22O2/c1-3-5-6-7-8-12-10-9-11-4-2/h3-10H2,1-2H3","CMZCBYJFESJOFV-UHFFFAOYSA-N"
"659","CCCCCCOCCOCCOCCOCCO","[R1]CCCCCCOCCOCCOCCOCCO[R2]","278.389","278.20932406","1.29","19","0","5","1","16","57.15","C14H30O5","InChI=1S/C14H30O5/c1-2-3-4-5-7-16-9-11-18-13-14-19-12-10-17-8-6-15/h15H,2-14H2,1H3","VUEUVIPIBVJLCY-UHFFFAOYSA-N"
"660","COCCOCCOCCOCCOCCO","[R1]COCCOCCOCCOCCOCCO[R2]","252.307","252.157288488","-1.2","17","0","6","1","14","66.38","C11H24O6","InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3","SLNYBUIEAMRFSZ-UHFFFAOYSA-N"
"661","CCCCOCCOCCOCCOCCO","[R1]CCCCOCCOCCOCCOCCO[R2]","250.335","250.178023932","0.2","17","0","5","1","14","57.15","C12H26O5","InChI=1S/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3","MXVMODFDROLTFD-UHFFFAOYSA-N"
"662","CC(C)CCCOCCOCCOCCOCCO","[R1]C(C)(C)CCCOCCOCCOCCOCCO[R2]","278.389","278.20932406","1","19","0","5","1","15","57.15","C14H30O5","InChI=1S/C14H30O5/c1-14(2)4-3-6-16-8-10-18-12-13-19-11-9-17-7-5-15/h14-15H,3-13H2,1-2H3","FVNOIEMNRONTEK-UHFFFAOYSA-N"
"663","COCCOCCOCCOCCO","[R1]COCCOCCOCCOCCO[R2]","208.254","208.13107374","-1.05","14","0","5","1","11","57.15","C9H20O5","InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3","ZNYRFEPBTVGZDN-UHFFFAOYSA-N"
"664","COCCOCCOCCO","[R1]COCCOCCOCCO[R2]","164.201","164.104858992","-0.9","11","0","4","1","8","47.92","C7H16O4","InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3","JLGLQAWTXXGVEM-UHFFFAOYSA-N"
"665","CCC1=CN(CCOCCOCCOCCOCCOCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOCCO[R2]","361.439","361.221285712","-0.97","25","1","9","1","18","97.09","C16H31N3O6","InChI=1S/C16H31N3O6/c1-2-16-15-19(18-17-16)3-5-21-7-9-23-11-13-25-14-12-24-10-8-22-6-4-20/h15,20H,2-14H2,1H3","IRFBBMPVJLKBGZ-UHFFFAOYSA-N"
"666","CCC1=CN(CCOCCOCCOCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOCCO[R2]","273.333","273.168856216","-0.67","19","1","7","1","12","78.63","C12H23N3O4","InChI=1S/C12H23N3O4/c1-2-12-11-15(14-13-12)3-5-17-7-9-19-10-8-18-6-4-16/h11,16H,2-10H2,1H3","OWGQNMNFCUTSGC-UHFFFAOYSA-N"
"667","CCC1=CN(CCOCCOCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCO[R2]","229.28","229.142641468","-0.52","16","1","6","1","9","69.4","C10H19N3O3","InChI=1S/C10H19N3O3/c1-2-10-9-13(12-11-10)3-5-15-7-8-16-6-4-14/h9,14H,2-8H2,1H3","XEUGWMQNMWTUKF-UHFFFAOYSA-N"
"668","CCC1=CN(CCOCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCO[R2]","185.227","185.11642672","-0.38","13","1","5","1","6","60.17","C8H15N3O2","InChI=1S/C8H15N3O2/c1-2-8-7-11(10-9-8)3-5-13-6-4-12/h7,12H,2-6H2,1H3","LQQLIFHJYQZQOT-UHFFFAOYSA-N"
"669","CCC1=CN(CCOCCOCCOCCOC(=O)NCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOCCOC(=O)NCCO[R2]","360.411","360.200884616","-0.95","25","1","9","2","15","116.96","C15H28N4O6","InChI=1S/C15H28N4O6/c1-2-14-13-19(18-17-14)4-6-22-7-8-23-9-10-24-11-12-25-15(21)16-3-5-20/h13,20H,2-12H2,1H3,(H,16,21)","MFATVXPNYNAXJA-UHFFFAOYSA-N"
"670","CCC1=CN(CCOCCOCCOC(=O)NCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOC(=O)NCCO[R2]","316.358","316.174669868","-0.81","22","1","8","2","12","107.73","C13H24N4O5","InChI=1S/C13H24N4O5/c1-2-12-11-17(16-15-12)4-6-20-7-8-21-9-10-22-13(19)14-3-5-18/h11,18H,2-10H2,1H3,(H,14,19)","JKLJYBMEECRFBU-UHFFFAOYSA-N"
"671","CCC1=CN(CCOCCOC(=O)NCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOC(=O)NCCO[R2]","272.305","272.14845512","-0.66","19","1","7","2","9","98.5","C11H20N4O4","InChI=1S/C11H20N4O4/c1-2-10-9-15(14-13-10)4-6-18-7-8-19-11(17)12-3-5-16/h9,16H,2-8H2,1H3,(H,12,17)","POYTYACNRWCRMP-UHFFFAOYSA-N"
"672","CCC1=CN(CCOCCOCCOCCOCCOCCOC(=O)NCCO)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOC(=O)NCCO[R2]","448.517","448.253314112","-1.25","31","1","11","2","21","135.42","C19H36N4O8","InChI=1S/C19H36N4O8/c1-2-18-17-23(22-21-18)4-6-26-7-8-27-9-10-28-11-12-29-13-14-30-15-16-31-19(25)20-3-5-24/h17,24H,2-16H2,1H3,(H,20,25)","ZPMPGBDPRYIRPZ-UHFFFAOYSA-N"
"673","CCCCCCCCNC(=O)CO","[R1]CCCCCCCCNC(=O)CO[R2]","187.283","187.157228912","2.3","13","0","2","2","8","49.33","C10H21NO2","InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-11-10(13)9-12/h12H,2-9H2,1H3,(H,11,13)","PWGOKBGNJNLIDS-UHFFFAOYSA-N"
"674","CCCOCCOCCOCCCNC(=O)CO","[R1]CCCOCCOCCOCCCNC(=O)CO[R2]","263.334","263.1732729","-0.3","18","0","5","2","13","77.02","C12H25NO5","InChI=1S/C12H25NO5/c1-2-5-16-7-9-18-10-8-17-6-3-4-13-12(15)11-14/h14H,2-11H2,1H3,(H,13,15)","BBDDYLXZIGBXQL-UHFFFAOYSA-N"
"675","CCCCCCCCNC(=O)C1=CC=C(C)C=C1","[R1]CCCCCCCCNC(=O)C1=CC=C(C=C1)C[R2]","247.382","247.19361442","4.98","18","1","1","1","8","29.1","C16H25NO","InChI=1S/C16H25NO/c1-3-4-5-6-7-8-13-17-16(18)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,17,18)","YLOQYJXWAPFPMJ-UHFFFAOYSA-N"
"676","CCCCCCNC=O","[R1]CCCCCCNC(=O)[R2]","129.203","129.1153641","2.48","9","0","1","1","6","29.1","C7H15NO","InChI=1S/C7H15NO/c1-2-3-4-5-6-8-7-9/h7H,2-6H2,1H3,(H,8,9)","NHTXRWUMLXSOGJ-UHFFFAOYSA-N"
"677","CCCCCCCCNC=O","[R1]CCCCCCCCNC(=O)[R2]","157.257","157.146664228","3.56","11","0","1","1","8","29.1","C9H19NO","InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-10-9-11/h9H,2-8H2,1H3,(H,10,11)","ZBWPKQRQZDZVSF-UHFFFAOYSA-N"
"678","COCCOCCOCCN1C=C(CC=O)N=N1","[R1]C(=O)CC1=CN(N=N1)CCOCCOCCOC[R2]","257.29","257.137556088","-1.39","18","1","7","0","11","75.47","C11H19N3O4","InChI=1S/C11H19N3O4/c1-16-6-7-18-9-8-17-5-3-14-10-11(2-4-15)12-13-14/h4,10H,2-3,5-9H2,1H3","UDQPFKUVGNTGHJ-UHFFFAOYSA-N"
"679","CN(CC=O)CCNC(=O)CO","[R1]C(=O)CN(C)CCNC(=O)CO[R2]","174.2","174.100442308","-1.54","12","0","4","2","6","69.64","C7H14N2O3","InChI=1S/C7H14N2O3/c1-9(4-5-10)3-2-8-7(12)6-11/h5,11H,2-4,6H2,1H3,(H,8,12)","XWRCNXZASLPYBQ-UHFFFAOYSA-N"
"680","O=CCNCCOCCOCCOCCNC(=O)CO","[R1]C(=O)CNCCOCCOCCOCCNC(=O)CO[R2]","292.332","292.163436488","-2.45","20","0","7","3","15","106.12","C12H24N2O6","InChI=1S/C12H24N2O6/c15-4-1-13-2-5-18-7-9-20-10-8-19-6-3-14-12(17)11-16/h4,13,16H,1-3,5-11H2,(H,14,17)","HBFMQYKFJKCGBG-UHFFFAOYSA-N"
"681","O=CCNCCCCNC(=O)CO","[R1]C(=O)CNCCCCNC(=O)CO[R2]","188.227","188.116092372","-1.3","13","0","4","3","8","78.43","C8H16N2O3","InChI=1S/C8H16N2O3/c11-6-5-9-3-1-2-4-10-8(13)7-12/h6,9,12H,1-5,7H2,(H,10,13)","LYCLRJBFYCMHGF-UHFFFAOYSA-N"
"682","CC(=O)NCCN(C)CC=O","[R1]C(=O)CN(C)CCNC(=O)C[R2]","158.201","158.105527688","-0.89","11","0","3","1","5","49.41","C7H14N2O2","InChI=1S/C7H14N2O2/c1-7(11)8-3-4-9(2)5-6-10/h6H,3-5H2,1-2H3,(H,8,11)","RDDOXWPLJUWKHY-UHFFFAOYSA-N"
"683","CCCCCOCCCOC","[R1]CCCCCOCCCOC[R2]","160.257","160.14632988","2.08","11","0","2","0","8","18.46","C9H20O2","InChI=1S/C9H20O2/c1-3-4-5-8-11-9-6-7-10-2/h3-9H2,1-2H3","SRNPGWZFBBKXEF-UHFFFAOYSA-N"
"684","COCCCOCCN1CCCCC1","[R1]C1CCN(CC1)CCOCCCOC[R2]","201.31","201.172878976","1.17","14","1","3","0","7","21.7","C11H23NO2","InChI=1S/C11H23NO2/c1-13-9-5-10-14-11-8-12-6-3-2-4-7-12/h2-11H2,1H3","GJFTZLWOCFLINT-UHFFFAOYSA-N"
"685","COCCCCCO","[R1]OCCCCCOC[R2]","118.176","118.099379688","0.47","8","0","2","1","5","29.46","C6H14O2","InChI=1S/C6H14O2/c1-8-6-4-2-3-5-7/h7H,2-6H2,1H3","OMNKOGMRWWOOFR-UHFFFAOYSA-N"
"686","COCCCCCN","[R1]NCCCCCOC[R2]","117.192","117.1153641","0.21","8","0","2","1","5","35.25","C6H15NO","InChI=1S/C6H15NO/c1-8-6-4-2-3-5-7/h2-7H2,1H3","DMRHQYSRQGGRCK-UHFFFAOYSA-N"
"687","COCCC1=CC=CC=C1","[R1]C1=CC=C(C=C1)CCOC[R2]","136.194","136.088815004","2.03","10","1","1","0","3","9.23","C9H12O","InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3","CQLYXIUHVFRXLT-UHFFFAOYSA-N"
"688","COCC1=CC=CC=C1","[R1]C1=CC=C(C=C1)COC[R2]","122.167","122.07316494","1.57","9","1","1","0","2","9.23","C8H10O","InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3","GQKZBCPTCWJTAS-UHFFFAOYSA-N"
"689","CCOCCOCCOCCNC(=O)CC","[R1]CCC(=O)NCCOCCOCCOCC[R2]","233.308","233.162708216","-0.06","16","0","4","1","11","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-3-11(13)12-5-6-15-9-10-16-8-7-14-4-2/h3-10H2,1-2H3,(H,12,13)","DQKOWFBYHIENAP-UHFFFAOYSA-N"
"690","CCCOCCCCCO","[R1]OCCCCCOCCC[R2]","146.23","146.130679816","1.36","10","0","2","1","7","29.46","C8H18O2","InChI=1S/C8H18O2/c1-2-7-10-8-5-3-4-6-9/h9H,2-8H2,1H3","YAWHDVYIZZNQLG-UHFFFAOYSA-N"
"691","CCCCCOC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCCCCC[R2]","164.248","164.120115132","3.69","12","1","1","0","5","9.23","C11H16O","InChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3","HPUOAJPGWQQRNT-UHFFFAOYSA-N"
"692","CCOCCOCCOCCOCCOC1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)OCCOCCOCCOCCOCC[R2]","313.394","313.188922964","0.99","22","1","6","1","14","72.17","C16H27NO5","InChI=1S/C16H27NO5/c1-2-18-7-8-19-9-10-20-11-12-21-13-14-22-16-5-3-15(17)4-6-16/h3-6H,2,7-14,17H2,1H3","RLLXXZFEMFANLF-UHFFFAOYSA-N"
"693","CCOCCOC1=CC=C([C@H](C)N)C=C1","[R1]N[C@@H](C)C1=CC=C(C=C1)OCCOCC[R2]","209.289","209.141578848","1.37","15","1","3","1","6","44.48","C12H19NO2","InChI=1S/C12H19NO2/c1-3-14-8-9-15-12-6-4-11(5-7-12)10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1","VDYRRXUKQOWKRN-JTQLQIEISA-N"
"694","CCOCCN1CCCCC1CNC=O","[R1]C(=O)NCC1CCCCN1CCOCC[R2]","214.309","214.168127944","1.31","15","1","3","1","7","41.57","C11H22N2O2","InChI=1S/C11H22N2O2/c1-2-15-8-7-13-6-4-3-5-11(13)9-12-10-14/h10-11H,2-9H2,1H3,(H,12,14)","PYZSMHZTVRAXMP-UHFFFAOYSA-N"
"695","CCNCCOCCN","[R1]NCCOCCNCC[R2]","132.207","132.126263132","-0.93","9","0","3","2","6","47.28","C6H16N2O","InChI=1S/C6H16N2O/c1-2-8-4-6-9-5-3-7/h8H,2-7H2,1H3","VQUWJUIPMCCLSD-UHFFFAOYSA-N"
"696","CCCOCCOCCN(C)C=O","[R1]C(=O)N(C)CCOCCOCCC[R2]","189.255","189.136493468","0.88","13","0","3","0","9","38.77","C9H19NO3","InChI=1S/C9H19NO3/c1-3-5-12-7-8-13-6-4-10(2)9-11/h9H,3-8H2,1-2H3","HSUUAHXXMSJDIC-UHFFFAOYSA-N"
"697","CCCOCCOCCN","[R1]NCCOCCOCCC[R2]","147.218","147.125928784","-0.12","10","0","3","1","7","44.48","C7H17NO2","InChI=1S/C7H17NO2/c1-2-4-9-6-7-10-5-3-8/h2-8H2,1H3","UPYSGFWVMLQLGJ-UHFFFAOYSA-N"
"698","NCCOCCOCCN1CCCCC1","[R1]NCCOCCOCCN1CCC(CC1)[R2]","216.325","216.183778008","-0.13","15","1","4","1","8","47.72","C11H24N2O2","InChI=1S/C11H24N2O2/c12-4-8-14-10-11-15-9-7-13-5-2-1-3-6-13/h1-12H2","SYZCJSVGJSTZHP-UHFFFAOYSA-N"
"699","CCOCCN1CCOC(CNC)C1","[R1]CNCC1CN(CCO1)CCOCC[R2]","202.298","202.168127944","-0.25","14","1","4","1","6","33.73","C10H22N2O2","InChI=1S/C10H22N2O2/c1-3-13-6-4-12-5-7-14-10(9-12)8-11-2/h10-11H,3-9H2,1-2H3","BBGHDSWTIVBDJG-UHFFFAOYSA-N"
"700","CCCOCCOCCN(C)C","[R1]CN(C)CCOCCOCCC[R2]","175.272","175.157228912","0.86","12","0","3","0","8","21.7","C9H21NO2","InChI=1S/C9H21NO2/c1-4-6-11-8-9-12-7-5-10(2)3/h4-9H2,1-3H3","ZLIFDEDLYLCCGA-UHFFFAOYSA-N"
"701","CCCOCCN(C)C","[R1]CN(C)CCOCCC[R2]","131.219","131.131014164","1.01","9","0","2","0","5","12.47","C7H17NO","InChI=1S/C7H17NO/c1-4-6-9-7-5-8(2)3/h4-7H2,1-3H3","DARJCOYDJSZUAC-UHFFFAOYSA-N"
"702","CN1CCN(CCOCCOCCO)CC1","[R1]CN1CCN(CC1)CCOCCOCCO[R2]","232.324","232.178692628","-0.9","16","1","5","1","8","45.17","C11H24N2O3","InChI=1S/C11H24N2O3/c1-12-2-4-13(5-3-12)6-8-15-10-11-16-9-7-14/h14H,2-11H2,1H3","ORNJSISNUBXZAT-UHFFFAOYSA-N"
"703","CN1CCN(CCOCCOCCOCCO)CC1","[R1]CN1CCN(CC1)CCOCCOCCOCCO[R2]","276.377","276.204907376","-1.05","19","1","6","1","11","54.4","C13H28N2O4","InChI=1S/C13H28N2O4/c1-14-2-4-15(5-3-14)6-8-17-10-12-19-13-11-18-9-7-16/h16H,2-13H2,1H3","AHDKSJCZGIBPOH-UHFFFAOYSA-N"
"704","CN1CCN(CC2CCNCC2)CC1","[R1]CN1CCN(CC1)CC2CCN(CC2)[R2]","197.326","197.189197736","0.39","14","2","3","1","2","18.51","C11H23N3","InChI=1S/C11H23N3/c1-13-6-8-14(9-7-13)10-11-2-4-12-5-3-11/h11-12H,2-10H2,1H3","MIRBDUREIHMEMK-UHFFFAOYSA-N"
"705","CCOCCO","[R1]CCOCCO[R2]","90.122","90.06807956","-0.24","6","0","2","1","3","29.46","C4H10O2","InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","ZNQVEEAIQZEUHB-UHFFFAOYSA-N"
"706","CN1CCN(CC2CCC(O)CC2)CC1","[R1]CN1CCN(CC1)CC2CCC(CC2)O[R2]","212.337","212.188863388","0.92","15","2","3","1","2","26.71","C12H24N2O","InChI=1S/C12H24N2O/c1-13-6-8-14(9-7-13)10-11-2-4-12(15)5-3-11/h11-12,15H,2-10H2,1H3","ARPHSRLZPCLRNY-UHFFFAOYSA-N"
"707","COCCCOCCO","[R1]OCCOCCCOC[R2]","134.175","134.094294308","-0.4","9","0","3","1","6","38.69","C6H14O3","InChI=1S/C6H14O3/c1-8-4-2-5-9-6-3-7/h7H,2-6H2,1H3","YYIOSNBPOLUPST-UHFFFAOYSA-N"
"708","COCCCOCCCO","[R1]OCCCOCCCOC[R2]","148.202","148.109944372","-0.04","10","0","3","1","7","38.69","C7H16O3","InChI=1S/C7H16O3/c1-9-5-3-7-10-6-2-4-8/h8H,2-7H2,1H3","QCAHUFWKIQLBNB-UHFFFAOYSA-N"
"709","COCCOCCC(F)(F)CCO","[R1]OCCC(CCOCCOC[R2])(F)F","198.209","198.106750812","0.63","13","0","3","1","8","38.69","C8H16F2O3","InChI=1S/C8H16F2O3/c1-12-6-7-13-5-3-8(9,10)2-4-11/h11H,2-7H2,1H3","YSHKLLQWEMCYRM-UHFFFAOYSA-N"
"710","COCCOCCCCCO","[R1]OCCCCCOCCOC[R2]","162.229","162.125594436","0.32","11","0","3","1","8","38.69","C8H18O3","InChI=1S/C8H18O3/c1-10-7-8-11-6-4-2-3-5-9/h9H,2-8H2,1H3","NTXQMKIQPXFSAA-UHFFFAOYSA-N"
"711","COCCOCCOCCOCCN(C)C(=O)CCN","[R1]NCCC(=O)N(C)CCOCCOCCOCCOC[R2]","292.376","292.199821996","-1.87","20","0","6","1","14","83.25","C13H28N2O5","InChI=1S/C13H28N2O5/c1-15(13(16)3-4-14)5-6-18-9-10-20-12-11-19-8-7-17-2/h3-12,14H2,1-2H3","DEPUURDOWPFPKV-UHFFFAOYSA-N"
"712","COCCOCCOCCOCCOCCN(C)C(=O)CCN","[R1]NCCC(=O)N(C)CCOCCOCCOCCOCCOC[R2]","336.429","336.226036744","-2.02","23","0","7","1","17","92.48","C15H32N2O6","InChI=1S/C15H32N2O6/c1-17(15(18)3-4-16)5-6-20-9-10-22-13-14-23-12-11-21-8-7-19-2/h3-14,16H2,1-2H3","QSEIYFPGGDEASH-UHFFFAOYSA-N"
"713","CCOCCOCCOCCN(C)C(=O)CCN","[R1]NCCC(=O)N(C)CCOCCOCCOCC[R2]","262.35","262.189257312","-1.36","18","0","5","1","12","74.02","C12H26N2O4","InChI=1S/C12H26N2O4/c1-3-16-8-9-18-11-10-17-7-6-14(2)12(15)4-5-13/h3-11,13H2,1-2H3","JAPQVSRYVVVHLP-UHFFFAOYSA-N"
"714","CN(CCOCCOCCOCCOCCO)C(=O)CCN","[R1]NCCC(=O)N(C)CCOCCOCCOCCOCCO[R2]","322.402","322.21038668","-2.56","22","0","7","2","16","103.48","C14H30N2O6","InChI=1S/C14H30N2O6/c1-16(14(18)2-3-15)4-6-19-8-10-21-12-13-22-11-9-20-7-5-17/h17H,2-13,15H2,1H3","FWQUOUJESIJPDG-UHFFFAOYSA-N"
"715","CCNC(=O)CC=O","[R1]C(=O)CC(=O)NCC[R2]","115.132","115.063328528","-0.46","8","0","2","1","3","46.17","C5H9NO2","InChI=1S/C5H9NO2/c1-2-6-5(8)3-4-7/h4H,2-3H2,1H3,(H,6,8)","CNSQBBYLYQXGGP-UHFFFAOYSA-N"
"716","CCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCC[R2]","129.159","129.078978592","0.07","9","0","2","1","4","46.17","C6H11NO2","InChI=1S/C6H11NO2/c1-2-4-7-6(9)3-5-8/h5H,2-4H2,1H3,(H,7,9)","DWERFNSKTADUGD-UHFFFAOYSA-N"
"717","CCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCC[R2]","143.186","143.094628656","0.42","10","0","2","1","5","46.17","C7H13NO2","InChI=1S/C7H13NO2/c1-2-3-5-8-7(10)4-6-9/h6H,2-5H2,1H3,(H,8,10)","PVWAVSAIGBNVEN-UHFFFAOYSA-N"
"718","CCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCC[R2]","157.213","157.11027872","0.96","11","0","2","1","6","46.17","C8H15NO2","InChI=1S/C8H15NO2/c1-2-3-4-6-9-8(11)5-7-10/h7H,2-6H2,1H3,(H,9,11)","ITVQKZMUSBWQBQ-UHFFFAOYSA-N"
"719","CCCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCCC[R2]","171.24","171.125928784","1.51","12","0","2","1","7","46.17","C9H17NO2","InChI=1S/C9H17NO2/c1-2-3-4-5-7-10-9(12)6-8-11/h8H,2-7H2,1H3,(H,10,12)","AUSHRFGMUIXPMZ-UHFFFAOYSA-N"
"720","CCCCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCCCC[R2]","185.267","185.141578848","2.05","13","0","2","1","8","46.17","C10H19NO2","InChI=1S/C10H19NO2/c1-2-3-4-5-6-8-11-10(13)7-9-12/h9H,2-8H2,1H3,(H,11,13)","ZILMYZIAGQKVFP-UHFFFAOYSA-N"
"721","CCCCCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCCCCC[R2]","199.294","199.157228912","2.59","14","0","2","1","9","46.17","C11H21NO2","InChI=1S/C11H21NO2/c1-2-3-4-5-6-7-9-12-11(14)8-10-13/h10H,2-9H2,1H3,(H,12,14)","SNNNCFJLPODPQU-UHFFFAOYSA-N"
"722","CCCCCCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCCCCCC[R2]","213.321","213.172878976","3.13","15","0","2","1","10","46.17","C12H23NO2","InChI=1S/C12H23NO2/c1-2-3-4-5-6-7-8-10-13-12(15)9-11-14/h11H,2-10H2,1H3,(H,13,15)","QWMZZSBBFSTZQM-UHFFFAOYSA-N"
"723","CCCCCCCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCCCCCCC[R2]","227.348","227.18852904","3.67","16","0","2","1","11","46.17","C13H25NO2","InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-11-14-13(16)10-12-15/h12H,2-11H2,1H3,(H,14,16)","TWAZOSXOKOSESD-UHFFFAOYSA-N"
"724","CCCCCCCCCCCNC(=O)CC=O","[R1]C(=O)CC(=O)NCCCCCCCCCCC[R2]","241.375","241.204179104","4.21","17","0","2","1","12","46.17","C14H27NO2","InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-12-15-14(17)11-13-16/h13H,2-12H2,1H3,(H,15,17)","BVGSZJINMRFREK-UHFFFAOYSA-N"
"725","CCCCCCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCCCCCC[R2]","241.375","241.204179104","3.41","17","0","2","1","12","46.17","C14H27NO2","InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-12-15-14(17)11-10-13-16/h13H,2-12H2,1H3,(H,15,17)","MTRKRZOEMQQXBU-UHFFFAOYSA-N"
"726","CCCCCCCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCCCCCCC[R2]","255.402","255.219829168","3.95","18","0","2","1","13","46.17","C15H29NO2","InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-15(18)12-11-14-17/h14H,2-13H2,1H3,(H,16,18)","AMXCHGPKQNMCCQ-UHFFFAOYSA-N"
"727","CCCCCCCCCCCNC(=O)CCCC=O","[R1]C(=O)CCCC(=O)NCCCCCCCCCCC[R2]","269.429","269.235479232","4.31","19","0","2","1","14","46.17","C16H31NO2","InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-11-14-17-16(19)13-10-12-15-18/h15H,2-14H2,1H3,(H,17,19)","GKYGBGKPALXWAX-UHFFFAOYSA-N"
"728","COCCOCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCOCCOC[R2]","247.291","247.141972772","-1.53","17","0","5","1","12","73.86","C11H21NO5","InChI=1S/C11H21NO5/c1-15-7-8-17-10-9-16-6-4-12-11(14)3-2-5-13/h5H,2-4,6-10H2,1H3,(H,12,14)","FWZIDJPEAIKIRE-UHFFFAOYSA-N"
"729","CCOCCOCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCOCCOCC[R2]","261.318","261.157622836","-1.17","18","0","5","1","13","73.86","C12H23NO5","InChI=1S/C12H23NO5/c1-2-16-8-9-18-11-10-17-7-5-13-12(15)4-3-6-14/h6H,2-5,7-11H2,1H3,(H,13,15)","LGBVNQAEIUSEGZ-UHFFFAOYSA-N"
"730","CCOCCOCCOCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCOCCOCCOCC[R2]","305.371","305.183837584","-1.32","21","0","6","1","16","83.09","C14H27NO6","InChI=1S/C14H27NO6/c1-2-18-8-9-20-12-13-21-11-10-19-7-5-15-14(17)4-3-6-16/h6H,2-5,7-13H2,1H3,(H,15,17)","LVWSUIJNUPKSOQ-UHFFFAOYSA-N"
"731","CCCCCCCCCCN1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)CCCCCCCCCC[R2]","268.445","268.251463644","4.11","19","1","3","0","11","23.55","C16H32N2O","InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15-16-19/h16H,2-15H2,1H3","NEDMKGHXZIHEOA-UHFFFAOYSA-N"
"732","CCCCCCCCCCCN1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)CCCCCCCCCCC[R2]","282.472","282.267113708","4.65","20","1","3","0","12","23.55","C17H34N2O","InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)16-17-20/h17H,2-16H2,1H3","NGHBSVFOXOQHEK-UHFFFAOYSA-N"
"733","CCCCCCCCN1CCN(C(=O)CCC=O)CC1","[R1]C(=O)CCC(=O)N1CCN(CC1)CCCCCCCC[R2]","282.428","282.2307282","2.32","20","1","3","0","10","40.62","C16H30N2O2","InChI=1S/C16H30N2O2/c1-2-3-4-5-6-7-10-17-11-13-18(14-12-17)16(20)9-8-15-19/h15H,2-14H2,1H3","QKQKJQVNDQREQU-UHFFFAOYSA-N"
"734","CCCCCCCCCN1CCN(C(=O)CCC=O)CC1","[R1]C(=O)CCC(=O)N1CCN(CC1)CCCCCCCCC[R2]","296.455","296.246378264","2.86","21","1","3","0","11","40.62","C17H32N2O2","InChI=1S/C17H32N2O2/c1-2-3-4-5-6-7-8-11-18-12-14-19(15-13-18)17(21)10-9-16-20/h16H,2-15H2,1H3","FCGQTZDAHVECBX-UHFFFAOYSA-N"
"735","CCCCCCCOC1=CC=C(NC(=O)CCC=O)C=C1","[R1]C(=O)CCC(=O)NC1=CC=C(C=C1)OCCCCCCC[R2]","291.391","291.18344366","3.31","21","1","3","1","11","55.4","C17H25NO3","InChI=1S/C17H25NO3/c1-2-3-4-5-6-14-21-16-11-9-15(10-12-16)18-17(20)8-7-13-19/h9-13H,2-8,14H2,1H3,(H,18,20)","QNXNMFGSQVNMIC-UHFFFAOYSA-N"
"736","CCCCN1CCN(CCCCNC(=O)CCC=O)CC1","[R1]C(=O)CCC(=O)NCCCCN1CCN(CC1)CCCC[R2]","297.443","297.241627232","0.72","21","1","4","1","11","52.65","C16H31N3O2","InChI=1S/C16H31N3O2/c1-2-3-9-18-11-13-19(14-12-18)10-5-4-8-17-16(21)7-6-15-20/h15H,2-14H2,1H3,(H,17,21)","GPIIUCXHISRUGD-UHFFFAOYSA-N"
"737","CCOCCOCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCOCCOCC[R2]","228.252","228.122240372","-1.1","16","1","6","1","8","92.26","C9H16N4O3","InChI=1S/C9H16N4O3/c1-2-15-5-6-16-4-3-13-7-8(9(10)14)11-12-13/h7H,2-6H2,1H3,(H2,10,14)","VIPMOOADDACLIH-UHFFFAOYSA-N"
"738","CCOC1=CC=C(/N=N/C2=CC=C(C=O)C=C2)C=C1","[R1]CCOC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)C(=O)[R2]","254.289","254.105527688","3.5","19","2","4","0","5","51.02","C15H14N2O2","InChI=1S/C15H14N2O2/c1-2-19-15-9-7-14(8-10-15)17-16-13-5-3-12(11-18)4-6-13/h3-11H,2H2,1H3/b17-16+","YDVIPWQIWQDCOL-WUKNDPDISA-N"
"739","CCCOC1=CC=C(/N=N/C2=CC=C(C=O)C=C2)C=C1","[R1]CCCOC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)C(=O)[R2]","268.316","268.121177752","4.03","20","2","4","0","6","51.02","C16H16N2O2","InChI=1S/C16H16N2O2/c1-2-11-20-16-9-7-15(8-10-16)18-17-14-5-3-13(12-19)4-6-14/h3-10,12H,2,11H2,1H3/b18-17+","BNAYKHHBJGUGEU-ISLYRVAYSA-N"
"740","CCCCOC1=CC=C(/N=N/C2=CC=C(C=O)C=C2)C=C1","[R1]CCCCOC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)C(=O)[R2]","282.343","282.136827816","4.38","21","2","4","0","7","51.02","C17H18N2O2","InChI=1S/C17H18N2O2/c1-2-3-12-21-17-10-8-16(9-11-17)19-18-15-6-4-14(13-20)5-7-15/h4-11,13H,2-3,12H2,1H3/b19-18+","FWBXPKPOECYWPJ-VHEBQXMUSA-N"
"741","CCCCCOC1=CC=C(/N=N/C2=CC=C(C=O)C=C2)C=C1","[R1]CCCCCOC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)C(=O)[R2]","296.37","296.15247788","4.92","22","2","4","0","8","51.02","C18H20N2O2","InChI=1S/C18H20N2O2/c1-2-3-4-13-22-18-11-9-17(10-12-18)20-19-16-7-5-15(14-21)6-8-16/h5-12,14H,2-4,13H2,1H3/b20-19+","SHUJZLJCZICRKA-FMQUCBEESA-N"
"742","CCCCCCOC1=CC=C(/N=N/C2=CC=C(C=O)C=C2)C=C1","[R1]CCCCCCOC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)C(=O)[R2]","310.397","310.168127944","5.47","23","2","4","0","9","51.02","C19H22N2O2","InChI=1S/C19H22N2O2/c1-2-3-4-5-14-23-19-12-10-18(11-13-19)21-20-17-8-6-16(15-22)7-9-17/h6-13,15H,2-5,14H2,1H3/b21-20+","WSUPCNHPNYJESO-QZQOTICOSA-N"
"743","O=CC1=CC(F)=C(/N=N/C2=C(F)C=CC=C2F)C(F)=C1","[R1]C(=O)C1=CC(=C(C(=C1)F)/N=N/C2=C(C=C(C=C2F)[R2])F)F","282.196","282.041625692","3.56","20","2","3","0","3","41.79","C13H6F4N2O","InChI=1S/C13H6F4N2O/c14-8-2-1-3-9(15)12(8)18-19-13-10(16)4-7(6-20)5-11(13)17/h1-6H/b19-18+","PUDWNQLFAIUHLK-VHEBQXMUSA-N"
"744","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCN","[R1]NCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","282.3","282.132805056","0.9","20","1","7","3","8","119.02","C12H18N4O4","InChI=1S/C12H18N4O4/c1-18-9-5-8(16-14)6-10(19-2)12(9)20-7-11(17)15-4-3-13/h5-6,14H,3-4,7,13H2,1-2H3,(H,15,17)","RNABUUZQSVDBHF-UHFFFAOYSA-N"
"745","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCN","[R1]NCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","296.327","296.14845512","1.26","21","1","7","3","9","119.02","C13H20N4O4","InChI=1S/C13H20N4O4/c1-19-10-6-9(17-15)7-11(20-2)13(10)21-8-12(18)16-5-3-4-14/h6-7,15H,3-5,8,14H2,1-2H3,(H,16,18)","WKQAPJVXMOPDAF-UHFFFAOYSA-N"
"746","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCCN","[R1]NCCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","310.354","310.164105184","1.61","22","1","7","3","10","119.02","C14H22N4O4","InChI=1S/C14H22N4O4/c1-20-11-7-10(18-16)8-12(21-2)14(11)22-9-13(19)17-6-4-3-5-15/h7-8,16H,3-6,9,15H2,1-2H3,(H,17,19)","JHZPHMRQFKRVGR-UHFFFAOYSA-N"
"747","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCCCN","[R1]NCCCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","324.381","324.179755248","1.97","23","1","7","3","11","119.02","C15H24N4O4","InChI=1S/C15H24N4O4/c1-21-12-8-11(19-17)9-13(22-2)15(12)23-10-14(20)18-7-5-3-4-6-16/h8-9,17H,3-7,10,16H2,1-2H3,(H,18,20)","IRWQAIBTQBIVLP-UHFFFAOYSA-N"
"748","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCCCCN","[R1]NCCCCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","338.408","338.195405312","2.33","24","1","7","3","12","119.02","C16H26N4O4","InChI=1S/C16H26N4O4/c1-22-13-9-12(20-18)10-14(23-2)16(13)24-11-15(21)19-8-6-4-3-5-7-17/h9-10,18H,3-8,11,17H2,1-2H3,(H,19,21)","XSDKMNILSJTBHK-UHFFFAOYSA-N"
"749","N=NC1=CC=C(OCC(=O)NCCN)C=C1","[R1]NCCNC(=O)COC1=CC=C(C=C1)/N=N/[R2]","222.248","222.111675688","0.96","16","1","5","3","6","100.56","C10H14N4O2","InChI=1S/C10H14N4O2/c11-5-6-13-10(15)7-16-9-3-1-8(14-12)2-4-9/h1-4,12H,5-7,11H2,(H,13,15)","XHJWSVKSIDOIIN-UHFFFAOYSA-N"
"750","N=NC1=CC=C(OCC(=O)NCCCCN)C=C1","[R1]NCCCCNC(=O)COC1=CC=C(C=C1)/N=N/[R2]","250.302","250.142975816","1.67","18","1","5","3","8","100.56","C12H18N4O2","InChI=1S/C12H18N4O2/c13-7-1-2-8-15-12(17)9-18-11-5-3-10(16-14)4-6-11/h3-6,14H,1-2,7-9,13H2,(H,15,17)","COEAFSFRZAIQIX-UHFFFAOYSA-N"
"751","N=NC1=CC=C(OCC(=O)NCCCCCCN)C=C1","[R1]NCCCCCCNC(=O)COC1=CC=C(C=C1)/N=N/[R2]","278.356","278.174275944","2.38","20","1","5","3","10","100.56","C14H22N4O2","InChI=1S/C14H22N4O2/c15-9-3-1-2-4-10-17-14(19)11-20-13-7-5-12(18-16)6-8-13/h5-8,16H,1-4,9-11,15H2,(H,17,19)","ZSZVDUURTJZCJL-UHFFFAOYSA-N"
"752","NC1=CC=C(/N=N/C2=CC=C(NC(=O)CO)C=C2)C=C1","[R1]NC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)NC(=O)CO[R2]","270.292","270.111675688","1.54","20","2","5","3","4","100.07","C14H14N4O2","InChI=1S/C14H14N4O2/c15-10-1-3-12(4-2-10)17-18-13-7-5-11(6-8-13)16-14(20)9-19/h1-8,19H,9,15H2,(H,16,20)/b18-17+","DMSNNDSZXSHGHL-ISLYRVAYSA-N"
"753","NCC1=CC=C(/N=N/C2=CC=C(NC(=O)CO)C=C2)C=C1","[R1]NCC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)NC(=O)CO[R2]","284.319","284.127325752","1.08","21","2","5","3","5","100.07","C15H16N4O2","InChI=1S/C15H16N4O2/c16-9-11-1-3-13(4-2-11)18-19-14-7-5-12(6-8-14)17-15(21)10-20/h1-8,20H,9-10,16H2,(H,17,21)/b19-18+","VWXHUHBUMINWMB-VHEBQXMUSA-N"
"754","NCCC1=CC=C(/N=N/C2=CC=C(NC(=O)CO)C=C2)C=C1","[R1]NCCC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)NC(=O)CO[R2]","298.346","298.142975816","1.54","22","2","5","3","6","100.07","C16H18N4O2","InChI=1S/C16H18N4O2/c17-10-9-12-1-3-14(4-2-12)19-20-15-7-5-13(6-8-15)18-16(22)11-21/h1-8,21H,9-11,17H2,(H,18,22)/b20-19+","DVMAQNQLRXSAKX-FMQUCBEESA-N"
"755","NC1=CC=C2/N=N\C3=CC=C(NC(=O)CO)C=C3CCC2=C1","[R1]NC1=CC2=C(C=C1)/N=N\C3=C(CC2)C=C(C=C3)NC(=O)CO[R2]","296.33","296.127325752","1.83","22","3","5","3","2","100.07","C16H16N4O2","InChI=1S/C16H16N4O2/c17-12-3-5-14-10(7-12)1-2-11-8-13(18-16(22)9-21)4-6-15(11)20-19-14/h3-8,21H,1-2,9,17H2,(H,18,22)/b20-19-","JXQSKOZOEWNFBG-VXPUYCOJSA-N"
"756","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCNC(=O)CO","[R1]OCC(=O)NCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","354.363","354.153934424","0.86","25","1","8","4","11","142.33","C15H22N4O6","InChI=1S/C15H22N4O6/c1-23-11-6-10(19-16)7-12(24-2)15(11)25-9-14(22)18-5-3-4-17-13(21)8-20/h6-7,16,20H,3-5,8-9H2,1-2H3,(H,17,21)(H,18,22)","AEPAXJWFDYSIPS-UHFFFAOYSA-N"
"757","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCCNC(=O)CO","[R1]OCC(=O)NCCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","368.39","368.169584488","1.21","26","1","8","4","12","142.33","C16H24N4O6","InChI=1S/C16H24N4O6/c1-24-12-7-11(20-17)8-13(25-2)16(12)26-10-15(23)19-6-4-3-5-18-14(22)9-21/h7-8,17,21H,3-6,9-10H2,1-2H3,(H,18,22)(H,19,23)","CGFSXBHORDYMJF-UHFFFAOYSA-N"
"758","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCCCNC(=O)CO","[R1]OCC(=O)NCCCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","382.417","382.185234552","1.57","27","1","8","4","13","142.33","C17H26N4O6","InChI=1S/C17H26N4O6/c1-25-13-8-12(21-18)9-14(26-2)17(13)27-11-16(24)20-7-5-3-4-6-19-15(23)10-22/h8-9,18,22H,3-7,10-11H2,1-2H3,(H,19,23)(H,20,24)","OWNVBRBRJYRFNI-UHFFFAOYSA-N"
"759","COC1=CC(N=N)=CC(OC)=C1OCC(=O)NCCCCCCNC(=O)CO","[R1]OCC(=O)NCCCCCCNC(=O)COC1=C(C=C(C=C1OC)/N=N/[R2])OC","396.444","396.200884616","1.93","28","1","8","4","14","142.33","C18H28N4O6","InChI=1S/C18H28N4O6/c1-26-14-9-13(22-19)10-15(27-2)18(14)28-12-17(25)21-8-6-4-3-5-7-20-16(24)11-23/h9-10,19,23H,3-8,11-12H2,1-2H3,(H,20,24)(H,21,25)","GGJJUCQIRZLBFH-UHFFFAOYSA-N"
"760","N=NC1=CC=C(OCC(=O)NCCNC(=O)CO)C=C1","[R1]OCC(=O)NCCNC(=O)COC1=CC=C(C=C1)/N=N/[R2]","280.284","280.117154992","0.56","20","1","6","4","8","123.87","C12H16N4O4","InChI=1S/C12H16N4O4/c13-16-9-1-3-10(4-2-9)20-8-12(19)15-6-5-14-11(18)7-17/h1-4,13,17H,5-8H2,(H,14,18)(H,15,19)","LASZCECNYCYBSH-UHFFFAOYSA-N"
"761","O=C(CO)NC1=CC=C(/N=N/C2=CC=C(NC(=O)CO)C=C2)C=C1","[R1]OCC(=O)NC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)NC(=O)CO[R2]","328.328","328.117154992","0.74","24","2","6","4","6","123.38","C16H16N4O4","InChI=1S/C16H16N4O4/c21-9-15(23)17-11-1-5-13(6-2-11)19-20-14-7-3-12(4-8-14)18-16(24)10-22/h1-8,21-22H,9-10H2,(H,17,23)(H,18,24)/b20-19+","YPEPEJYZIWQRAF-FMQUCBEESA-N"
"762","CCOCCOC[C@@H](N)COCCOCCOC","[R1]N[C@H](COCCOCC[R2])COCCOCCOC[R2]","265.35","265.188922964","-1.02","18","0","6","1","14","72.17","C12H27NO5","InChI=1S/C12H27NO5/c1-3-15-6-8-17-10-12(13)11-18-9-7-16-5-4-14-2/h12H,3-11,13H2,1-2H3/t12-/m1/s1","DTGQDSGUKRYWTK-GFCCVEGCSA-N"
"763","CCOC[C@@H](N)COCCOCCOC","[R1]N[C@H](COCC[R2])COCCOCCOC[R2]","221.297","221.162708216","-0.87","15","0","5","1","11","62.94","C10H23NO4","InChI=1S/C10H23NO4/c1-3-13-8-10(11)9-15-7-6-14-5-4-12-2/h10H,3-9,11H2,1-2H3/t10-/m1/s1","NVMIASBFGXTRPT-SNVBAGLBSA-N"
"764","CCOCC=O","[R1]CCOCC(=O)[R2]","88.106","88.052429496","-0.02","6","0","2","0","3","26.3","C4H8O2","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","IAHZBRPNDIVNNR-UHFFFAOYSA-N"
"765","CC(=O)NCCOCCOCCOCCNC(=O)CO","[R1]CC(=O)NCCOCCOCCOCCNC(=O)CO[R2]","292.332","292.163436488","-2.24","20","0","6","3","13","106.12","C12H24N2O6","InChI=1S/C12H24N2O6/c1-11(16)13-2-4-18-6-8-20-9-7-19-5-3-14-12(17)10-15/h15H,2-10H2,1H3,(H,13,16)(H,14,17)","NILXGSCJCWYLAE-UHFFFAOYSA-N"
"766","OCCOCCOCCOCCO","[R1]OCCOCCOCCOCCO[R2]","194.227","194.115423676","-1.58","13","0","5","2","10","68.15","C8H18O5","InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2","UWHCKJMYHZGTIT-UHFFFAOYSA-N"
"767","COCCCOCCCCO","[R1]OCCCCOCCCOC[R2]","162.229","162.125594436","0.32","11","0","3","1","8","38.69","C8H18O3","InChI=1S/C8H18O3/c1-10-6-4-8-11-7-3-2-5-9/h9H,2-8H2,1H3","GBDXTMUABRNWDV-UHFFFAOYSA-N"
"768","COCC(F)(F)C(F)(F)C(F)(F)COCCCO","[R1]OCCCOCC(C(C(COC[R2])(F)F)(F)F)(F)F","284.196","284.084713628","1.62","18","0","3","1","9","38.69","C9H14F6O3","InChI=1S/C9H14F6O3/c1-17-5-7(10,11)9(14,15)8(12,13)6-18-4-2-3-16/h16H,2-6H2,1H3","ISUXYHDVHYAOMT-UHFFFAOYSA-N"
"769","COCCCOC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCCCOC[R2]","166.22","166.099379688","2.1","12","1","2","0","5","18.46","C10H14O2","InChI=1S/C10H14O2/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3","BNBJSIGRGDMPEZ-UHFFFAOYSA-N"
"770","COCC(F)(F)COC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCC(COC[R2])(F)F","202.2","202.080536064","2.42","14","1","2","0","5","18.46","C10H12F2O2","InChI=1S/C10H12F2O2/c1-13-7-10(11,12)8-14-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3","BMXMKJYJQLCFHV-UHFFFAOYSA-N"
"771","COCCCOCC(F)(F)C(F)(F)CO","[R1]OCC(C(COCCCOC[R2])(F)F)(F)F","234.189","234.087907188","0.95","15","0","3","1","8","38.69","C8H14F4O3","InChI=1S/C8H14F4O3/c1-14-3-2-4-15-6-8(11,12)7(9,10)5-13/h13H,2-6H2,1H3","FFHMJFWIMUIENX-UHFFFAOYSA-N"
"772","COCCOCCO","[R1]OCCOCCOC[R2]","120.148","120.078644244","-0.75","8","0","3","1","5","38.69","C5H12O3","InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3","SBASXUCJHJRPEV-UHFFFAOYSA-N"
"773","COCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOC[R2]","252.307","252.157288488","-1.2","17","0","6","1","14","66.38","C11H24O6","InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3","SLNYBUIEAMRFSZ-UHFFFAOYSA-N"
"774","O[C@H]1C[C@H](OCCCN2CCNCC2)C1","[R1]O[C@H]1C[C@@H](C1)OCCCN2CCN(CC2)[R2]","214.309","214.168127944","-0.25","15","2","4","2","5","44.73","C11H22N2O2","InChI=1S/C11H22N2O2/c14-10-8-11(9-10)15-7-1-4-13-5-2-12-3-6-13/h10-12,14H,1-9H2/t10-,11-","SELCIEUYJJJDSH-XYPYZODXSA-N"
"775","CN1CCN(CCN2CCC(O[C@H]3C[C@H](O)C3)CC2)CC1","[R1]O[C@H]1C[C@@H](C1)OC2CCN(CC2)CCN3CCN(CC3)C[R2]","297.443","297.241627232","0.46","21","3","5","1","5","39.18","C16H31N3O2","InChI=1S/C16H31N3O2/c1-17-6-8-19(9-7-17)11-10-18-4-2-15(3-5-18)21-16-12-14(20)13-16/h14-16,20H,2-13H2,1H3/t14-,16-","LCUANHCLPFXWJR-KOMQPUFPSA-N"
"776","O=CC1CNC1","[R1]C(=O)C1CN(C1)[R2]","85.106","85.052763844","-0.96","6","1","2","1","1","29.1","C4H7NO","InChI=1S/C4H7NO/c6-3-4-1-5-2-4/h3-5H,1-2H2","ZWNNNSPVWRKCKH-UHFFFAOYSA-N"
"777","CCCCOCCCOC","[R1]CCCCOCCCOC[R2]","146.23","146.130679816","1.54","10","0","2","0","7","18.46","C8H18O2","InChI=1S/C8H18O2/c1-3-4-7-10-8-5-6-9-2/h3-8H2,1-2H3","SYQZZZDASGVPDV-UHFFFAOYSA-N"
"778","COCCCOCCCCOC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCCCCOCCCOC[R2]","238.327","238.156894564","2.67","17","1","3","0","10","27.69","C14H22O3","InChI=1S/C14H22O3/c1-15-10-7-12-16-11-5-6-13-17-14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3","LIGUZNOMUTYXPY-UHFFFAOYSA-N"
"779","NCCOCCOCCOCCNC(=O)C1=CC=CC=C1","[R1]NCCOCCOCCOCCNC(=O)C1=CC=C(C=C1)[R2]","296.367","296.173607248","-0.18","21","1","5","2","12","82.81","C15H24N2O4","InChI=1S/C15H24N2O4/c16-6-8-19-10-12-21-13-11-20-9-7-17-15(18)14-4-2-1-3-5-14/h1-5H,6-13,16H2,(H,17,18)","ZLCYMSYYWWTFHW-UHFFFAOYSA-N"
"780","NCCCNC(=O)C1=CC=CC=C1","[R1]NCCCNC(=O)C1=CC=C(C=C1)[R2]","178.235","178.110613068","0.62","13","1","2","2","4","55.12","C10H14N2O","InChI=1S/C10H14N2O/c11-7-4-8-12-10(13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13)","AOGPUGLWMPUQQZ-UHFFFAOYSA-N"
"781","CCOCCN1C=C(CCCC=O)N=N1","[R1]C(=O)CCCC1=CN(N=N1)CCOCC[R2]","211.265","211.132076784","-0.07","15","1","5","0","8","57.01","C10H17N3O2","InChI=1S/C10H17N3O2/c1-2-15-8-6-13-9-10(11-12-13)5-3-4-7-14/h7,9H,2-6,8H2,1H3","ZYVQFJBCPSQGOQ-UHFFFAOYSA-N"
"782","CCOCCOCCOCCN1C=C(CCCC=O)N=N1","[R1]C(=O)CCCC1=CN(N=N1)CCOCCOCCOCC[R2]","299.371","299.18450628","-0.37","21","1","7","0","14","75.47","C14H25N3O4","InChI=1S/C14H25N3O4/c1-2-19-9-10-21-12-11-20-8-6-17-13-14(15-16-17)5-3-4-7-18/h7,13H,2-6,8-12H2,1H3","MEJIFLPNQOXNNA-UHFFFAOYSA-N"
"783","CCOCCOCCOCCOCCN1C=C(CCCC=O)N=N1","[R1]C(=O)CCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2]","343.424","343.210721028","-0.51","24","1","8","0","17","84.7","C16H29N3O5","InChI=1S/C16H29N3O5/c1-2-21-9-10-23-13-14-24-12-11-22-8-6-19-15-16(17-18-19)5-3-4-7-20/h7,15H,2-6,8-14H2,1H3","QVHKCQSQAQUGIM-UHFFFAOYSA-N"
"784","CCN1C=C(CCCC(N)=O)N=N1","[R1]NC(=O)CCCC1=CN(N=N1)CC[R2]","182.227","182.116761068","-0.51","13","1","4","1","5","73.8","C8H14N4O","InChI=1S/C8H14N4O/c1-2-12-6-7(10-11-12)4-3-5-8(9)13/h6H,2-5H2,1H3,(H2,9,13)","LTHPNMAUFSSHHQ-UHFFFAOYSA-N"
"785","CCOCCOCCOCCNC(=O)C1=CC=CC=C1","[R1]CCOCCOCCOCCNC(=O)C1=CC=C(C=C1)[R2]","281.352","281.162708216","1.12","20","1","4","1","11","56.79","C15H23NO4","InChI=1S/C15H23NO4/c1-2-18-10-11-20-13-12-19-9-8-16-15(17)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,16,17)","JMCBUBRKTCPJBA-UHFFFAOYSA-N"
"786","CCCNC(=O)C1=CC=CC=C1","[R1]CCCNC(=O)C1=CC=C(C=C1)[R2]","163.22","163.099714036","2.09","12","1","1","1","3","29.1","C10H13NO","InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)","DYZWXBMTHNHXML-UHFFFAOYSA-N"
"787","CCCCNC=O","[R1]CCCCNC(=O)[R2]","101.149","101.084063972","1.39","7","0","1","1","4","29.1","C5H11NO","InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)","QQGNLKJAIVSNCO-UHFFFAOYSA-N"
"788","CCOCCOCCNC=O","[R1]CCOCCOCCNC(=O)[R2]","161.201","161.10519334","0.21","11","0","3","1","8","47.56","C7H15NO3","InChI=1S/C7H15NO3/c1-2-10-5-6-11-4-3-8-7-9/h7H,2-6H2,1H3,(H,8,9)","RNWZJESYGONOHW-UHFFFAOYSA-N"
"789","CCCCC1=CN(CCCC(=O)NCCOCCOCC)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCCOCCOCC[R2]","326.441","326.23179082","1.03","23","1","6","1","14","78.27","C16H30N4O3","InChI=1S/C16H30N4O3/c1-3-5-7-15-14-20(19-18-15)10-6-8-16(21)17-9-11-23-13-12-22-4-2/h14H,3-13H2,1-2H3,(H,17,21)","HQCOXSCMVZOVSI-UHFFFAOYSA-N"
"790","CCCCC1=CN(CCCC(=O)NCCOCCOCCNC=O)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCCOCCOCCNC(=O)[R2]","369.466","369.237604472","0.58","26","1","7","2","17","107.37","C17H31N5O4","InChI=1S/C17H31N5O4/c1-2-3-5-16-14-22(21-20-16)9-4-6-17(24)19-8-11-26-13-12-25-10-7-18-15-23/h14-15H,2-13H2,1H3,(H,18,23)(H,19,24)","FCVBQIQYHKPARL-UHFFFAOYSA-N"
"791","CCCCCCNC(=O)CCCN1C=C(CCCC)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCCCC[R2]","294.443","294.24196158","3.29","21","1","4","1","12","59.81","C16H30N4O","InChI=1S/C16H30N4O/c1-3-5-7-8-12-17-16(21)11-9-13-20-14-15(18-19-20)10-6-4-2/h14H,3-13H2,1-2H3,(H,17,21)","SNHQLNFPKZVGOE-UHFFFAOYSA-N"
"792","CCCCCNC(=O)CCCN1C=C(CCCC)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCCC[R2]","280.416","280.226311516","2.75","20","1","4","1","11","59.81","C15H28N4O","InChI=1S/C15H28N4O/c1-3-5-7-11-16-15(20)10-8-12-19-13-14(17-18-19)9-6-4-2/h13H,3-12H2,1-2H3,(H,16,20)","NHRQHDZERZZKFP-UHFFFAOYSA-N"
"793","CCNC(=O)CCCN1C=C(CC)N=N1","[R1]CCC1=CN(N=N1)CCCC(=O)NCC[R2]","210.281","210.148061196","0.43","15","1","4","1","6","59.81","C10H18N4O","InChI=1S/C10H18N4O/c1-3-9-8-14(13-12-9)7-5-6-10(15)11-4-2/h8H,3-7H2,1-2H3,(H,11,15)","OYGQPLAUVYHOPP-UHFFFAOYSA-N"
"794","CCCNC(=O)CCCN1C=C(CC)N=N1","[R1]CCC1=CN(N=N1)CCCC(=O)NCCC[R2]","224.308","224.16371126","0.95","16","1","4","1","7","59.81","C11H20N4O","InChI=1S/C11H20N4O/c1-3-7-12-11(16)6-5-8-15-9-10(4-2)13-14-15/h9H,3-8H2,1-2H3,(H,12,16)","CAFZGVRRJDAZCY-UHFFFAOYSA-N"
"795","CCCNC(=O)CCCN1C=C(CCC)N=N1","[R1]CCCC1=CN(N=N1)CCCC(=O)NCCC[R2]","238.335","238.179361324","1.31","17","1","4","1","8","59.81","C12H22N4O","InChI=1S/C12H22N4O/c1-3-6-11-10-16(15-14-11)9-5-7-12(17)13-8-4-2/h10H,3-9H2,1-2H3,(H,13,17)","BQRMKTHSKNFIIL-UHFFFAOYSA-N"
"796","CCCCNC(=O)CCCN1C=C(CC)N=N1","[R1]CCC1=CN(N=N1)CCCC(=O)NCCCC[R2]","238.335","238.179361324","1.31","17","1","4","1","8","59.81","C12H22N4O","InChI=1S/C12H22N4O/c1-3-5-8-13-12(17)7-6-9-16-10-11(4-2)14-15-16/h10H,3-9H2,1-2H3,(H,13,17)","PGUUDHXNTZZKJH-UHFFFAOYSA-N"
"797","CCCCC1=CN(CCCC(=O)NCC)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCC[R2]","238.335","238.179361324","1.33","17","1","4","1","8","59.81","C12H22N4O","InChI=1S/C12H22N4O/c1-3-5-7-11-10-16(15-14-11)9-6-8-12(17)13-4-2/h10H,3-9H2,1-2H3,(H,13,17)","TVPMNLVGUJLSQE-UHFFFAOYSA-N"
"798","CCCCNC(=O)CCCN1C=C(CCC)N=N1","[R1]CCCC1=CN(N=N1)CCCC(=O)NCCCC[R2]","252.362","252.195011388","1.67","18","1","4","1","9","59.81","C13H24N4O","InChI=1S/C13H24N4O/c1-3-5-9-14-13(18)8-6-10-17-11-12(7-4-2)15-16-17/h11H,3-10H2,1-2H3,(H,14,18)","PTBBPVRGVZZYEN-UHFFFAOYSA-N"
"799","CCCCC1=CN(CCCC(=O)NCCC)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCCC[R2]","252.362","252.195011388","1.85","18","1","4","1","9","59.81","C13H24N4O","InChI=1S/C13H24N4O/c1-3-5-7-12-11-17(16-15-12)10-6-8-13(18)14-9-4-2/h11H,3-10H2,1-2H3,(H,14,18)","JEWBJEOLZTVPMD-UHFFFAOYSA-N"
"800","CCCCNC(=O)CCCN1C=C(CCCC)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCC[R2]","266.389","266.210661452","2.21","19","1","4","1","10","59.81","C14H26N4O","InChI=1S/C14H26N4O/c1-3-5-8-13-12-18(17-16-13)11-7-9-14(19)15-10-6-4-2/h12H,3-11H2,1-2H3,(H,15,19)","YJNOKWKENGTWAC-UHFFFAOYSA-N"
"801","CCCCNC(=O)[C@H](CCN1C=C(CCCC)N=N1)NC(=O)OC(C)(C)C","[R1]CCCCC1=CN(N=N1)CC[C@@H](C(=O)NCCCC[R2])NC(=O)OC(C)(C)C","381.521","381.27398998","3.05","27","1","6","2","11","98.14","C19H35N5O3","InChI=1S/C19H35N5O3/c1-6-8-10-15-14-24(23-22-15)13-11-16(17(25)20-12-9-7-2)21-18(26)27-19(3,4)5/h14,16H,6-13H2,1-5H3,(H,20,25)(H,21,26)/t16-/m0/s1","FGCATKFDSJLLTN-INIZCTEOSA-N"
"802","CCCCNC(=O)[C@@H]([NH3+])CCN1C=C(CCCC)N=N1.[Cl-]","[R1]CCCCC1=CN(N=N1)CC[C@@H](C(=O)NCCCC[R2])[NH3+].[Cl-]","317.865","317.198238196","2.2","21","1","4","2","10","87.45","C14H28ClN5O","InChI=1S/C14H27N5O.ClH/c1-3-5-7-12-11-19(18-17-12)10-8-13(15)14(20)16-9-6-4-2;/h11,13H,3-10,15H2,1-2H3,(H,16,20);1H/t13-;/m0./s1","UDEGIFBSQKBXHC-ZOWNYOTGSA-N"
"803","CCOCCOCCOCCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCCOCCOCCOCC[R2]","398.493","398.251582796","-1.27","27","0","9","1","24","94.07","C18H38O9","InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3","CUDPPTPIUWYGFI-UHFFFAOYSA-N"
"804","COCCOCCN","[R1]NCCOCCOC[R2]","119.164","119.094628656","-1.01","8","0","3","1","5","44.48","C5H13NO2","InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3","QWCGXANSAOXRFE-UHFFFAOYSA-N"
"805","CCOCCOCCOCCC=O","[R1]CCOCCOCCOCCC(=O)[R2]","190.239","190.120509056","-0.42","13","0","4","0","10","44.76","C9H18O4","InChI=1S/C9H18O4/c1-2-11-6-7-13-9-8-12-5-3-4-10/h4H,2-3,5-9H2,1H3","AJMGGIZNAPWJIH-UHFFFAOYSA-N"
"806","CCCCOCC","[R1]CCCCOCC[R2]","102.177","102.104465068","1.7","7","0","1","0","4","9.23","C6H14O","InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3","PZHIWRCQKBBTOW-UHFFFAOYSA-N"
"807","CCCNC(=O)CCCNC(=O)CO","[R1]CCCNC(=O)CCCNC(=O)CO[R2]","202.254","202.131742436","-0.61","14","0","3","3","7","78.43","C9H18N2O3","InChI=1S/C9H18N2O3/c1-2-5-10-8(13)4-3-6-11-9(14)7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)","SGKPVKWQAWXALE-UHFFFAOYSA-N"
"808","CCCNC(=O)CCCCCNC(=O)CO","[R1]CCCNC(=O)CCCCCNC(=O)CO[R2]","230.308","230.163042564","0.1","16","0","3","3","9","78.43","C11H22N2O3","InChI=1S/C11H22N2O3/c1-2-7-12-10(15)6-4-3-5-8-13-11(16)9-14/h14H,2-9H2,1H3,(H,12,15)(H,13,16)","MCLRTDKSPHAETG-UHFFFAOYSA-N"
"809","CCCCCNC(=O)CCCNC(=O)CO","[R1]CCCCCNC(=O)CCCNC(=O)CO[R2]","230.308","230.163042564","0.29","16","0","3","3","9","78.43","C11H22N2O3","InChI=1S/C11H22N2O3/c1-2-3-4-7-12-10(15)6-5-8-13-11(16)9-14/h14H,2-9H2,1H3,(H,12,15)(H,13,16)","GXNDLRLGVFAISP-UHFFFAOYSA-N"
"810","CCCCCNC(=O)CCCCCNC(=O)CO","[R1]CCCCCNC(=O)CCCCCNC(=O)CO[R2]","258.362","258.194342692","1","18","0","3","3","11","78.43","C13H26N2O3","InChI=1S/C13H26N2O3/c1-2-3-6-9-14-12(17)8-5-4-7-10-15-13(18)11-16/h16H,2-11H2,1H3,(H,14,17)(H,15,18)","KVEPXMCPBZBSGG-UHFFFAOYSA-N"
"811","CCCCCNC(=O)CCCNC(C)=O","[R1]CCCCCNC(=O)CCCNC(=O)C[R2]","214.309","214.168127944","0.94","15","0","2","2","8","58.2","C11H22N2O2","InChI=1S/C11H22N2O2/c1-3-4-5-8-13-11(15)7-6-9-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15)","RNRZMNLOCNEALK-UHFFFAOYSA-N"
"812","CCCCCNC(=O)CCCCCNC(C)=O","[R1]CCCCCNC(=O)CCCCCNC(=O)C[R2]","242.363","242.199428072","1.65","17","0","2","2","10","58.2","C13H26N2O2","InChI=1S/C13H26N2O2/c1-3-4-7-11-15-13(17)9-6-5-8-10-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17)","NVVTUVYYIDNSAW-UHFFFAOYSA-N"
"813","CCCCC(=O)NCC","[R1]CCCCC(=O)NCC[R2]","129.203","129.1153641","1.28","9","0","1","1","4","29.1","C7H15NO","InChI=1S/C7H15NO/c1-3-5-6-7(9)8-4-2/h3-6H2,1-2H3,(H,8,9)","ZOQTYYYRQHZQAR-UHFFFAOYSA-N"
"814","CCCCCCC(=O)NCC","[R1]CCCCCCC(=O)NCC[R2]","157.257","157.146664228","2.36","11","0","1","1","6","29.1","C9H19NO","InChI=1S/C9H19NO/c1-3-5-6-7-8-9(11)10-4-2/h3-8H2,1-2H3,(H,10,11)","KATPGOFDKJMROY-UHFFFAOYSA-N"
"815","CCCCCCCCC(=O)NCC","[R1]CCCCCCCCC(=O)NCC[R2]","185.311","185.177964356","3.44","13","0","1","1","8","29.1","C11H23NO","InChI=1S/C11H23NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h3-10H2,1-2H3,(H,12,13)","ACGGEROLCNXKHZ-UHFFFAOYSA-N"
"816","CCCCCCCCCC(=O)NCC","[R1]CCCCCCCCCC(=O)NCC[R2]","199.338","199.19361442","3.98","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-5-6-7-8-9-10-11-12(14)13-4-2/h3-11H2,1-2H3,(H,13,14)","VXUAXBGDCYWTME-UHFFFAOYSA-N"
"817","CCCCCCCCCCC(=O)NCC","[R1]CCCCCCCCCCC(=O)NCC[R2]","213.365","213.209264484","4.53","15","0","1","1","10","29.1","C13H27NO","InChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-12-13(15)14-4-2/h3-12H2,1-2H3,(H,14,15)","QFZHIMKZKRGXQF-UHFFFAOYSA-N"
"818","CCCCCCCCCCCC(=O)NCC","[R1]CCCCCCCCCCCC(=O)NCC[R2]","227.392","227.224914548","5.07","16","0","1","1","11","29.1","C14H29NO","InChI=1S/C14H29NO/c1-3-5-6-7-8-9-10-11-12-13-14(16)15-4-2/h3-13H2,1-2H3,(H,15,16)","FEQGPEABBFYLNO-UHFFFAOYSA-N"
"819","CCCCCCCCCCCCC(=O)NCC","[R1]CCCCCCCCCCCCC(=O)NCC[R2]","241.419","241.240564612","5.61","17","0","1","1","12","29.1","C15H31NO","InChI=1S/C15H31NO/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16-4-2/h3-14H2,1-2H3,(H,16,17)","KNIHPOVOZDEDNP-UHFFFAOYSA-N"
"820","CCCCCCCCCCC(=O)NCCCC","[R1]CCCCCCCCCCC(=O)NCCCC[R2]","241.419","241.240564612","5.41","17","0","1","1","12","29.1","C15H31NO","InChI=1S/C15H31NO/c1-3-5-7-8-9-10-11-12-13-15(17)16-14-6-4-2/h3-14H2,1-2H3,(H,16,17)","BUXGVKFCLMHGNI-UHFFFAOYSA-N"
"821","CCCCCCCCCCC(=O)NCCCCCC","[R1]CCCCCCCCCCC(=O)NCCCCCC[R2]","269.473","269.27186474","6.49","19","0","1","1","14","29.1","C17H35NO","InChI=1S/C17H35NO/c1-3-5-7-9-10-11-12-13-15-17(19)18-16-14-8-6-4-2/h3-16H2,1-2H3,(H,18,19)","ISHXKOLGCAOECB-UHFFFAOYSA-N"
"822","CCCCCCCCCCC(=O)NCCOCC","[R1]CCCCCCCCCCC(=O)NCCOCC[R2]","257.418","257.235479232","4.38","18","0","2","1","13","38.33","C15H31NO2","InChI=1S/C15H31NO2/c1-3-5-6-7-8-9-10-11-12-15(17)16-13-14-18-4-2/h3-14H2,1-2H3,(H,16,17)","CCJAYVXOVAERAG-UHFFFAOYSA-N"
"823","CCCCCCCCCCC(=O)NCCOCCOCC","[R1]CCCCCCCCCCC(=O)NCCOCCOCC[R2]","301.471","301.26169398","4.23","21","0","3","1","16","47.56","C17H35NO3","InChI=1S/C17H35NO3/c1-3-5-6-7-8-9-10-11-12-17(19)18-13-14-21-16-15-20-4-2/h3-16H2,1-2H3,(H,18,19)","XBVSIDRSXMQSMH-UHFFFAOYSA-N"
"824","CCCCCCCCCCC(=O)NCCCOCCOCCOCCC","[R1]CCCCCCCCCCC(=O)NCCCOCCOCCOCCC[R2]","373.578","373.319208856","4.97","26","0","4","1","21","56.79","C21H43NO4","InChI=1S/C21H43NO4/c1-3-5-6-7-8-9-10-11-13-21(23)22-14-12-16-25-18-20-26-19-17-24-15-4-2/h3-20H2,1-2H3,(H,22,23)","WELVBSIIGXHCCX-UHFFFAOYSA-N"
"825","CCCCCCCCCCC(=O)NCCN","[R1]CCCCCCCCCCC(=O)NCCN[R2]","228.38","228.220163516","3.22","16","0","2","2","11","55.12","C13H28N2O","InChI=1S/C13H28N2O/c1-2-3-4-5-6-7-8-9-10-13(16)15-12-11-14/h2-12,14H2,1H3,(H,15,16)","AVSPYMHLHOTOSQ-UHFFFAOYSA-N"
"826","CCCCCCCCCCC(=O)NC","[R1]CCCCCCCCCCC(=O)NC[R2]","199.338","199.19361442","4.16","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-11-12(14)13-2/h3-11H2,1-2H3,(H,13,14)","MUZVJRFZJAXVBM-UHFFFAOYSA-N"
"827","CCCCCCCCCCC(=O)NCCC","[R1]CCCCCCCCCCC(=O)NCCC[R2]","227.392","227.224914548","5.05","16","0","1","1","11","29.1","C14H29NO","InChI=1S/C14H29NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h3-13H2,1-2H3,(H,15,16)","JAEHFCHZFQZJAC-UHFFFAOYSA-N"
"828","CCCCCCCCCCC(=O)NCCCCC","[R1]CCCCCCCCCCC(=O)NCCCCC[R2]","255.446","255.256214676","5.95","18","0","1","1","13","29.1","C16H33NO","InChI=1S/C16H33NO/c1-3-5-7-8-9-10-11-12-14-16(18)17-15-13-6-4-2/h3-15H2,1-2H3,(H,17,18)","LOTNCCWXPMLJSC-UHFFFAOYSA-N"
"829","CCC(=O)NCCOCCOC","[R1]CCC(=O)NCCOCCOC[R2]","175.228","175.120843404","-0.28","12","0","3","1","7","47.56","C8H17NO3","InChI=1S/C8H17NO3/c1-3-8(10)9-4-5-12-7-6-11-2/h3-7H2,1-2H3,(H,9,10)","GAWZLRJLUGPRSN-UHFFFAOYSA-N"
"830","CCOCCOCCOCCOCCNC(=O)CC","[R1]CCC(=O)NCCOCCOCCOCCOCC[R2]","277.361","277.188922964","-0.21","19","0","5","1","14","66.02","C13H27NO5","InChI=1S/C13H27NO5/c1-3-13(15)14-5-6-17-9-10-19-12-11-18-8-7-16-4-2/h3-12H2,1-2H3,(H,14,15)","VIPWWMOAIBUCIE-UHFFFAOYSA-N"
"831","CCC(=O)N1CCC(CN2CCNCC2)CC1","[R1]CCC(=O)N1CCC(CC1)CN2CCN(CC2)[R2]","239.363","239.19976242","0.32","17","2","3","1","3","35.58","C13H25N3O","InChI=1S/C13H25N3O/c1-2-13(17)16-7-3-12(4-8-16)11-15-9-5-14-6-10-15/h12,14H,2-11H2,1H3","BSMXDYCSRGWMMS-UHFFFAOYSA-N"
"832","CCC(=O)N1CCC(CCN2CCNCC2)CC1","[R1]CCC(=O)N1CCC(CC1)CCN2CCN(CC2)[R2]","253.39","253.215412484","0.68","18","2","3","1","4","35.58","C14H27N3O","InChI=1S/C14H27N3O/c1-2-14(18)17-9-4-13(5-10-17)3-8-16-11-6-15-7-12-16/h13,15H,2-12H2,1H3","RHOGJCWLCZMMFS-UHFFFAOYSA-N"
"833","CCCNC","[R1]CCCNC[R2]","73.139","73.089149352","0.69","5","0","1","1","2","12.03","C4H11N","InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3","GVWISOJSERXQBM-UHFFFAOYSA-N"
"834","CCCNCCC","[R1]CCCNCCC[R2]","101.193","101.12044948","1.58","7","0","1","1","4","12.03","C6H15N","InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3","WEHWNAOGRSTTBQ-UHFFFAOYSA-N"
"835","CCCCNCCC","[R1]CCCNCCCC[R2]","115.22","115.136099544","1.94","8","0","1","1","5","12.03","C7H17N","InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3","CWYZDPHNAGSFQB-UHFFFAOYSA-N"
"836","CCCCCNCCC","[R1]CCCNCCCCC[R2]","129.247","129.151749608","2.48","9","0","1","1","6","12.03","C8H19N","InChI=1S/C8H19N/c1-3-5-6-8-9-7-4-2/h9H,3-8H2,1-2H3","GFAQQAUTKWCQHA-UHFFFAOYSA-N"
"837","CCCCCCCNCCC","[R1]CCCNCCCCCCC[R2]","157.301","157.183049736","3.57","11","0","1","1","8","12.03","C10H23N","InChI=1S/C10H23N/c1-3-5-6-7-8-10-11-9-4-2/h11H,3-10H2,1-2H3","SENZORBCFNGGDX-UHFFFAOYSA-N"
"838","CCCCCCCCNCCC","[R1]CCCNCCCCCCCC[R2]","171.328","171.1986998","4.11","12","0","1","1","9","12.03","C11H25N","InChI=1S/C11H25N/c1-3-5-6-7-8-9-11-12-10-4-2/h12H,3-11H2,1-2H3","BBFLXVFMAOURDU-UHFFFAOYSA-N"
"839","CCCCCCCCCNCCC","[R1]CCCNCCCCCCCCC[R2]","185.355","185.214349864","4.65","13","0","1","1","10","12.03","C12H27N","InChI=1S/C12H27N/c1-3-5-6-7-8-9-10-12-13-11-4-2/h13H,3-12H2,1-2H3","FLSRMWBZKWEQHA-UHFFFAOYSA-N"
"840","CCCNCCOC","[R1]CCCNCCOC[R2]","117.192","117.1153641","0.54","8","0","2","1","5","21.26","C6H15NO","InChI=1S/C6H15NO/c1-3-4-7-5-6-8-2/h7H,3-6H2,1-2H3","UDZCEFCJEGGQOJ-UHFFFAOYSA-N"
"841","CCCNCCOCCOC","[R1]CCCNCCOCCOC[R2]","161.245","161.141578848","0.4","11","0","3","1","8","30.49","C8H19NO2","InChI=1S/C8H19NO2/c1-3-4-9-5-6-11-8-7-10-2/h9H,3-8H2,1-2H3","WKFOEWLRIULZTA-UHFFFAOYSA-N"
"842","CCCNCCOCCOCC","[R1]CCCNCCOCCOCC[R2]","175.272","175.157228912","0.76","12","0","3","1","9","30.49","C9H21NO2","InChI=1S/C9H21NO2/c1-3-5-10-6-7-12-9-8-11-4-2/h10H,3-9H2,1-2H3","AJWFKZWPBABFEU-UHFFFAOYSA-N"
"843","CCCNCCOCCOCCOCC","[R1]CCCNCCOCCOCCOCC[R2]","219.325","219.18344366","0.61","15","0","4","1","12","39.72","C11H25NO3","InChI=1S/C11H25NO3/c1-3-5-12-6-7-14-10-11-15-9-8-13-4-2/h12H,3-11H2,1-2H3","JOMYWNOLDXWEFK-UHFFFAOYSA-N"
"844","CCCNCCOCCOCCOCCOCC","[R1]CCCNCCOCCOCCOCCOCC[R2]","263.378","263.209658408","0.47","18","0","5","1","15","48.95","C13H29NO4","InChI=1S/C13H29NO4/c1-3-5-14-6-7-16-10-11-18-13-12-17-9-8-15-4-2/h14H,3-13H2,1-2H3","PTEMPWOAYXZHTI-UHFFFAOYSA-N"
"845","CCCCCCCCCCCNCCC","[R1]CCCNCCCCCCCCCCC[R2]","213.409","213.245649992","5.73","15","0","1","1","12","12.03","C14H31N","InChI=1S/C14H31N/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h15H,3-14H2,1-2H3","QRPSACOFSBZHOT-UHFFFAOYSA-N"
"846","CCCCCCCCCCN(C)CCC","[R1]CCCN(C)CCCCCCCCCC[R2]","213.409","213.245649992","5.66","15","0","1","0","11","3.24","C14H31N","InChI=1S/C14H31N/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h4-14H2,1-3H3","ZBYKVOSVXQAAPR-UHFFFAOYSA-N"
"847","CCCCCCCCCNCCCC","[R1]CCCCNCCCCCCCCC[R2]","199.382","199.229999928","5.01","14","0","1","1","11","12.03","C13H29N","InChI=1S/C13H29N/c1-3-5-7-8-9-10-11-13-14-12-6-4-2/h14H,3-13H2,1-2H3","ZJFJKMQYBGYDFS-UHFFFAOYSA-N"
"848","CCCCCCCCCCNCCCC","[R1]CCCCNCCCCCCCCCC[R2]","213.409","213.245649992","5.55","15","0","1","1","12","12.03","C14H31N","InChI=1S/C14H31N/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h15H,3-14H2,1-2H3","QBQJQKTUTURRNX-UHFFFAOYSA-N"
"849","CCCCCCCCCCCNCCCC","[R1]CCCCNCCCCCCCCCCC[R2]","227.436","227.261300056","6.09","16","0","1","1","13","12.03","C15H33N","InChI=1S/C15H33N/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h16H,3-15H2,1-2H3","BNCIDZMEGPXEPT-UHFFFAOYSA-N"
"850","CCCNCCOCCOCCOCCOCCOCC","[R1]CCCNCCOCCOCCOCCOCCOCC[R2]","307.431","307.235873156","0.32","21","0","6","1","18","58.18","C15H33NO5","InChI=1S/C15H33NO5/c1-3-5-16-6-7-18-10-11-20-14-15-21-13-12-19-9-8-17-4-2/h16H,3-15H2,1-2H3","FSJYFPZQCHZQAS-UHFFFAOYSA-N"
"851","CCCNCCCN","[R1]CCCNCCCN[R2]","116.208","116.131348512","0.11","8","0","2","2","5","38.05","C6H16N2","InChI=1S/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3","OWKYZAGJTTTXOK-UHFFFAOYSA-N"
"852","CCCNCCCCN","[R1]CCCNCCCCN[R2]","130.235","130.146998576","0.46","9","0","2","2","6","38.05","C7H18N2","InChI=1S/C7H18N2/c1-2-6-9-7-4-3-5-8/h9H,2-8H2,1H3","GHQFRBNLAGNQOE-UHFFFAOYSA-N"
"853","CCCNCCCCCN","[R1]CCCNCCCCCN[R2]","144.262","144.16264864","0.82","10","0","2","2","7","38.05","C8H20N2","InChI=1S/C8H20N2/c1-2-7-10-8-5-3-4-6-9/h10H,2-9H2,1H3","TXZYEZDYAHKAPO-UHFFFAOYSA-N"
"854","CCCNCCCCCCN","[R1]CCCNCCCCCCN[R2]","158.289","158.178298704","1.18","11","0","2","2","8","38.05","C9H22N2","InChI=1S/C9H22N2/c1-2-8-11-9-6-4-3-5-7-10/h11H,2-10H2,1H3","GJPGEOGGZHPOMJ-UHFFFAOYSA-N"
"855","CCCNCCCCCCCN","[R1]CCCNCCCCCCCN[R2]","172.316","172.193948768","1.72","12","0","2","2","9","38.05","C10H24N2","InChI=1S/C10H24N2/c1-2-9-12-10-7-5-3-4-6-8-11/h12H,2-11H2,1H3","ITHQCIDSGFBWIV-UHFFFAOYSA-N"
"856","CCCNCCCCCCCCN","[R1]CCCNCCCCCCCCN[R2]","186.343","186.209598832","2.26","13","0","2","2","10","38.05","C11H26N2","InChI=1S/C11H26N2/c1-2-10-13-11-8-6-4-3-5-7-9-12/h13H,2-12H2,1H3","JYAUAGKHEUJRDI-UHFFFAOYSA-N"
"857","CCCNCCOCCN","[R1]CCCNCCOCCN[R2]","146.234","146.141913196","-0.4","10","0","3","2","7","47.28","C7H18N2O","InChI=1S/C7H18N2O/c1-2-4-9-5-7-10-6-3-8/h9H,2-8H2,1H3","FOVBRQXVOFMZRK-UHFFFAOYSA-N"
"858","CCCNCCOCCOCCN","[R1]CCCNCCOCCOCCN[R2]","190.287","190.168127944","-0.55","13","0","4","2","10","56.51","C9H22N2O2","InChI=1S/C9H22N2O2/c1-2-4-11-5-7-13-9-8-12-6-3-10/h11H,2-10H2,1H3","QEBHIHPWUXFIBD-UHFFFAOYSA-N"
"859","CCCNCCOCCOCCOCCN","[R1]CCCNCCOCCOCCOCCN[R2]","234.34","234.194342692","-0.69","16","0","5","2","13","65.74","C11H26N2O3","InChI=1S/C11H26N2O3/c1-2-4-13-5-7-15-9-11-16-10-8-14-6-3-12/h13H,2-12H2,1H3","QAPCIMTVCRODAQ-UHFFFAOYSA-N"
"860","CCCNCCOCCOCCOCCOCCN","[R1]CCCNCCOCCOCCOCCOCCN[R2]","278.393","278.22055744","-0.84","19","0","6","2","16","74.97","C13H30N2O4","InChI=1S/C13H30N2O4/c1-2-4-15-5-7-17-9-11-19-13-12-18-10-8-16-6-3-14/h15H,2-14H2,1H3","IPOLTFPETRYHCV-UHFFFAOYSA-N"
"861","CCCNCCOCCOCCOCCOCCOCCN","[R1]CCCNCCOCCOCCOCCOCCOCCN[R2]","322.446","322.246772188","-0.99","22","0","7","2","19","84.2","C15H34N2O5","InChI=1S/C15H34N2O5/c1-2-4-17-5-7-19-9-11-21-13-15-22-14-12-20-10-8-18-6-3-16/h17H,2-16H2,1H3","LFEBEQHOJOMUMQ-UHFFFAOYSA-N"
"862","CCCCO","[R1]CCCCO[R2]","74.123","74.07316494","0.79","5","0","1","1","2","20.23","C4H10O","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","LRHPLDYGYMQRHN-UHFFFAOYSA-N"
"863","CCCCCCO","[R1]CCCCCCO[R2]","102.177","102.104465068","1.88","7","0","1","1","4","20.23","C6H14O","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","ZSIAUFGUXNUGDI-UHFFFAOYSA-N"
"864","CCCCCCCCO","[R1]CCCCCCCCO[R2]","130.231","130.135765196","2.96","9","0","1","1","6","20.23","C8H18O","InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3","KBPLFHHGFOOTCA-UHFFFAOYSA-N"
"865","CCCCCCCCCO","[R1]CCCCCCCCCO[R2]","144.258","144.15141526","3.5","10","0","1","1","7","20.23","C9H20O","InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3","ZWRUINPWMLAQRD-UHFFFAOYSA-N"
"866","CCCCCCCCCCO","[R1]CCCCCCCCCCO[R2]","158.285","158.167065324","4.04","11","0","1","1","8","20.23","C10H22O","InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3","MWKFXSUHUHTGQN-UHFFFAOYSA-N"
"867","CCCCCCCCCCCO","[R1]CCCCCCCCCCCO[R2]","172.312","172.182715388","4.58","12","0","1","1","9","20.23","C11H24O","InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3","KJIOQYGWTQBHNH-UHFFFAOYSA-N"
"868","CCCCCCCCCCCCO","[R1]CCCCCCCCCCCCO[R2]","186.339","186.198365452","5.13","13","0","1","1","10","20.23","C12H26O","InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3","LQZZUXJYWNFBMV-UHFFFAOYSA-N"
"869","COCC=O","[R1]C(=O)COC[R2]","74.079","74.036779432","-0.39","5","0","2","0","2","26.3","C3H6O2","InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","YSEFYOVWKJXNCH-UHFFFAOYSA-N"
"870","COCCOCCOCCOCCOCC=O","[R1]C(=O)COCCOCCOCCOCCOC[R2]","250.291","250.141638424","-0.98","17","0","6","0","14","63.22","C11H22O6","InChI=1S/C11H22O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h2H,3-11H2,1H3","PERZZOPFAPJECS-UHFFFAOYSA-N"
"871","CCOC1=CC(N)=CC(CCOC)=C1","[R1]CCOC1=CC(=CC(=C1)N)CCOC[R2]","195.262","195.125928784","1.69","14","1","3","1","5","44.48","C11H17NO2","InChI=1S/C11H17NO2/c1-3-14-11-7-9(4-5-13-2)6-10(12)8-11/h6-8H,3-5,12H2,1-2H3","COXWDCOKOBYDPU-UHFFFAOYSA-N"
"872","CCOC1=CC(O)=CC(CCOC)=C1","[R1]CCOC1=CC(=CC(=C1)O)CCOC[R2]","196.246","196.109944372","2.02","14","1","3","1","5","38.69","C11H16O3","InChI=1S/C11H16O3/c1-3-14-11-7-9(4-5-13-2)6-10(12)8-11/h6-8,12H,3-5H2,1-2H3","GASBROUVWUECLM-UHFFFAOYSA-N"
"873","COCCC1=CC(N)=CC(OCCN)=C1","[R1]NCCOC1=CC(=CC(=C1)N)CCOC[R2]","210.277","210.136827816","0.38","15","1","4","2","6","70.5","C11H18N2O2","InChI=1S/C11H18N2O2/c1-14-4-2-9-6-10(13)8-11(7-9)15-5-3-12/h6-8H,2-5,12-13H2,1H3","WAOPHHHWVCMEPH-UHFFFAOYSA-N"
"874","COC[C@@H]1CNC[C@H](COCCN)C1","[R1]NCCOC[C@@H]1C[C@@H](CNC1)COC[R2]","202.298","202.168127944","-0.79","14","1","4","2","6","56.51","C10H22N2O2","InChI=1S/C10H22N2O2/c1-13-7-9-4-10(6-12-5-9)8-14-3-2-11/h9-10,12H,2-8,11H2,1H3/t9-,10+/m0/s1","QWLRGHWNIKYJDV-VHSXEESVSA-N"
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"876","COCC#CC#CCN","[R1]NCC#CC#CCOC[R2]","123.155","123.068413908","-0.41","9","0","2","1","1","35.25","C7H9NO","InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6-8/h6-8H2,1H3","FUTGOKPVWKUISE-UHFFFAOYSA-N"
"877","CCOCCN1C=C(CNC=O)N=N1","[R1]C(=O)NCC1=CN(N=N1)CCOCC[R2]","198.226","198.111675688","-0.41","14","1","5","1","7","69.04","C8H14N4O2","InChI=1S/C8H14N4O2/c1-2-14-4-3-12-6-8(10-11-12)5-9-7-13/h6-7H,2-5H2,1H3,(H,9,13)","FNHHKAJWLIMXHV-UHFFFAOYSA-N"
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"879","CCOCCOCCOCCN1C=C(CNC=O)N=N1","[R1]C(=O)NCC1=CN(N=N1)CCOCCOCCOCC[R2]","286.332","286.164105184","-0.7","20","1","7","1","13","87.5","C12H22N4O4","InChI=1S/C12H22N4O4/c1-2-18-5-6-20-8-7-19-4-3-16-10-12(14-15-16)9-13-11-17/h10-11H,2-9H2,1H3,(H,13,17)","GNMPCOFWUCPVKW-UHFFFAOYSA-N"
"880","CCOCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCOCC[R2]","184.199","184.096025624","-0.95","13","1","5","1","5","83.03","C7H12N4O2","InChI=1S/C7H12N4O2/c1-2-13-4-3-11-5-6(7(8)12)9-10-11/h5H,2-4H2,1H3,(H2,8,12)","XZHHUAZGHGSJIZ-UHFFFAOYSA-N"
"881","CCOCCOCCOCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCOCCOCCOCC[R2]","272.305","272.14845512","-1.24","19","1","7","1","11","101.49","C11H20N4O4","InChI=1S/C11H20N4O4/c1-2-17-5-6-19-8-7-18-4-3-15-9-10(11(12)16)13-14-15/h9H,2-8H2,1H3,(H2,12,16)","PWSIHVFBUUGICA-UHFFFAOYSA-N"
"882","CCOCCOCCOCCOCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCOCCOCCOCCOCC[R2]","316.358","316.174669868","-1.39","22","1","8","1","14","110.72","C13H24N4O5","InChI=1S/C13H24N4O5/c1-2-19-5-6-21-9-10-22-8-7-20-4-3-17-11-12(13(14)18)15-16-17/h11H,2-10H2,1H3,(H2,14,18)","HQJBCKRSISCTDZ-UHFFFAOYSA-N"
"883","CCCCCCCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCCCCCCC[R2]","224.308","224.16371126","2.25","16","1","4","1","8","73.8","C11H20N4O","InChI=1S/C11H20N4O/c1-2-3-4-5-6-7-8-15-9-10(11(12)16)13-14-15/h9H,2-8H2,1H3,(H2,12,16)","KNBCNGDFMRNFCZ-UHFFFAOYSA-N"
"884","C#CCOCCOCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCOCCOCC#C[R2]","238.247","238.106590308","-1.35","17","1","6","1","8","92.26","C10H14N4O3","InChI=1S/C10H14N4O3/c1-2-4-16-6-7-17-5-3-14-8-9(10(11)15)12-13-14/h1,8H,3-7H2,(H2,11,15)","WKHXKTDFEDKHQI-UHFFFAOYSA-N"
"885","C#CCOCCCCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCCCCOCC#C[R2]","236.275","236.127325752","-0.13","17","1","5","1","8","83.03","C11H16N4O2","InChI=1S/C11H16N4O2/c1-2-7-17-8-5-3-4-6-15-9-10(11(12)16)13-14-15/h1,9H,3-8H2,(H2,12,16)","BTOWMKGPVFDZKD-UHFFFAOYSA-N"
"886","C#CCCCCCCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCCCCCCC#C[R2]","234.303","234.148061196","1.75","17","1","4","1","8","73.8","C12H18N4O","InChI=1S/C12H18N4O/c1-2-3-4-5-6-7-8-9-16-10-11(12(13)17)14-15-16/h1,10H,3-9H2,(H2,13,17)","RDSFRMGWNWIKKB-UHFFFAOYSA-N"
"887","CCCOCCOCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCOCCOCCC[R2]","242.279","242.137890436","-0.57","17","1","6","1","9","92.26","C10H18N4O3","InChI=1S/C10H18N4O3/c1-2-4-16-6-7-17-5-3-14-8-9(10(11)15)12-13-14/h8H,2-7H2,1H3,(H2,11,15)","WSABLGQCUKFRJE-UHFFFAOYSA-N"
"888","CCCOCCCCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCCCCOCCC[R2]","240.307","240.15862588","0.65","17","1","5","1","9","83.03","C11H20N4O2","InChI=1S/C11H20N4O2/c1-2-7-17-8-5-3-4-6-15-9-10(11(12)16)13-14-15/h9H,2-8H2,1H3,(H2,12,16)","ZDKKHZAGQOKSJW-UHFFFAOYSA-N"
"889","CCCCCCCCCN1C=C(C(N)=O)N=N1","[R1]NC(=O)C1=CN(N=N1)CCCCCCCCC[R2]","238.335","238.179361324","2.79","17","1","4","1","9","73.8","C12H22N4O","InChI=1S/C12H22N4O/c1-2-3-4-5-6-7-8-9-16-10-11(12(13)17)14-15-16/h10H,2-9H2,1H3,(H2,13,17)","PRMPITDVHITUCQ-UHFFFAOYSA-N"
"890","CCOCCOCCOCCOCCOCCOCCOCCOCCOCC","[R1]CCOCCOCCOCCOCCOCCOCCOCCOCCOCC[R2]","426.547","426.282882924","-0.37","29","0","9","0","26","83.07","C20H42O9","InChI=1S/C20H42O9/c1-3-21-5-7-23-9-11-25-13-15-27-17-19-29-20-18-28-16-14-26-12-10-24-8-6-22-4-2/h3-20H2,1-2H3","NFSLVRIGWIGOHW-UHFFFAOYSA-N"
"891","CCOCCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2]","331.413","331.210721028","-0.35","23","1","8","0","16","76.86","C15H29N3O5","InChI=1S/C15H29N3O5/c1-3-19-6-7-21-10-11-23-13-12-22-9-8-20-5-4-18-14-15(2)16-17-18/h14H,3-13H2,1-2H3","YMSCFAMQHZLDKV-UHFFFAOYSA-N"
"892","O=CCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCC(=O)[R2]","155.157","155.069476528","-0.99","11","1","5","0","5","57.01","C6H9N3O2","InChI=1S/C6H9N3O2/c10-4-6-11-5-3-9-2-1-7-8-9/h1-2,4H,3,5-6H2","YLUPPLUVICDFAJ-UHFFFAOYSA-N"
"893","O=CCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCC(=O)[R2]","199.21","199.095691276","-1.14","14","1","6","0","8","66.24","C8H13N3O3","InChI=1S/C8H13N3O3/c12-4-6-14-8-7-13-5-3-11-2-1-9-10-11/h1-2,4H,3,5-8H2","HRQDZVPLACCNBU-UHFFFAOYSA-N"
"894","O=CCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCC(=O)[R2]","243.263","243.121906024","-1.29","17","1","7","0","11","75.47","C10H17N3O4","InChI=1S/C10H17N3O4/c14-4-6-16-8-10-17-9-7-15-5-3-13-2-1-11-12-13/h1-2,4H,3,5-10H2","UJEFTVBPSIVESU-UHFFFAOYSA-N"
"895","NC(=O)COCCOCCNC(=O)CO","[R1]NC(=O)COCCOCCNC(=O)CO[R2]","220.225","220.105921612","-2.46","15","0","5","3","9","110.88","C8H16N2O5","InChI=1S/C8H16N2O5/c9-7(12)6-15-4-3-14-2-1-10-8(13)5-11/h11H,1-6H2,(H2,9,12)(H,10,13)","UUJPZVBGKZKXNK-UHFFFAOYSA-N"
"896","CCO","[R1]CCO[R2]","46.069","46.041864812","-0.09","3","0","1","1","0","20.23","C2H6O","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","LFQSCWFLJHTTHZ-UHFFFAOYSA-N"
"897","CCCO","[R1]CCCO[R2]","60.096","60.057514876","0.44","4","0","1","1","1","20.23","C3H8O","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","BDERNNFJNOPAEC-UHFFFAOYSA-N"
"898","NC1CCNCC1","[R1]NC1CCN(CC1)[R2]","100.165","100.100048384","-0.59","7","1","2","2","0","38.05","C5H12N2","InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2","BCIIMDOZSUCSEN-UHFFFAOYSA-N"
"899","C1CCNCC1","[R1]N1CCC(CC1)[R2]","85.15","85.089149352","0.64","6","1","1","1","0","12.03","C5H11N","InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2","NQRYJNQNLNOLGT-UHFFFAOYSA-N"
"900","CCCCCNC(C)=O","[R1]CCCCCNC(=O)C[R2]","129.203","129.1153641","1.33","9","0","1","1","4","29.1","C7H15NO","InChI=1S/C7H15NO/c1-3-4-5-6-8-7(2)9/h3-6H2,1-2H3,(H,8,9)","PTBCMKWBUAWWMQ-UHFFFAOYSA-N"
"901","CCCNC(C)=O","[R1]CCCNC(=O)C[R2]","101.149","101.084063972","0.43","7","0","1","1","2","29.1","C5H11NO","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","IHPHPGLJYCDONF-UHFFFAOYSA-N"
"902","O=CC1=CC=C(N2CCN(CCCCCCCCCO)CC2)C=C1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCCCO[R2]","332.488","332.246378264","3.69","24","2","4","1","11","43.78","C20H32N2O2","InChI=1S/C20H32N2O2/c23-17-7-5-3-1-2-4-6-12-21-13-15-22(16-14-21)20-10-8-19(18-24)9-11-20/h8-11,18,23H,1-7,12-17H2","WEDHJFMVBWTLMV-UHFFFAOYSA-N"
"903","CCCCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCCC[R2]","316.489","316.251463644","5.28","23","2","3","0","10","23.55","C20H32N2O","InChI=1S/C20H32N2O/c1-2-3-4-5-6-7-8-13-21-14-16-22(17-15-21)20-11-9-19(18-23)10-12-20/h9-12,18H,2-8,13-17H2,1H3","BMGOQQWDWPYXNE-UHFFFAOYSA-N"
"904","CCCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCC[R2]","302.462","302.23581358","4.74","22","2","3","0","9","23.55","C19H30N2O","InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-12-20-13-15-21(16-14-20)19-10-8-18(17-22)9-11-19/h8-11,17H,2-7,12-16H2,1H3","CPPJYZUYWLBIJT-UHFFFAOYSA-N"
"905","CCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCC[R2]","288.435","288.220163516","4.19","21","2","3","0","8","23.55","C18H28N2O","InChI=1S/C18H28N2O/c1-2-3-4-5-6-11-19-12-14-20(15-13-19)18-9-7-17(16-21)8-10-18/h7-10,16H,2-6,11-15H2,1H3","XPQVLCZXSDSCTG-UHFFFAOYSA-N"
"906","CCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCC[R2]","248.33","248.16371126","1.18","18","2","5","0","5","49.33","C13H20N4O","InChI=1S/C13H20N4O/c1-2-3-4-16-5-7-17(8-6-16)13-14-9-12(11-18)10-15-13/h9-11H,2-8H2,1H3","XEOODTHFOLADBO-UHFFFAOYSA-N"
"907","CCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCC[R2]","234.303","234.148061196","0.83","17","2","5","0","4","49.33","C12H18N4O","InChI=1S/C12H18N4O/c1-2-3-15-4-6-16(7-5-15)12-13-8-11(10-17)9-14-12/h8-10H,2-7H2,1H3","KXRMMGIROWBXFF-UHFFFAOYSA-N"
"908","CCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCC[R2]","262.357","262.179361324","1.73","19","2","5","0","6","49.33","C14H22N4O","InChI=1S/C14H22N4O/c1-2-3-4-5-17-6-8-18(9-7-17)14-15-10-13(12-19)11-16-14/h10-12H,2-9H2,1H3","NWSGZKHTZAVIBX-UHFFFAOYSA-N"
"909","CCCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCCC[R2]","276.384","276.195011388","2.27","20","2","5","0","7","49.33","C15H24N4O","InChI=1S/C15H24N4O/c1-2-3-4-5-6-18-7-9-19(10-8-18)15-16-11-14(13-20)12-17-15/h11-13H,2-10H2,1H3","XETWPJMWIJNKCM-UHFFFAOYSA-N"
"910","CCCCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCCCC[R2]","290.411","290.210661452","2.81","21","2","5","0","8","49.33","C16H26N4O","InChI=1S/C16H26N4O/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)16-17-12-15(14-21)13-18-16/h12-14H,2-11H2,1H3","NJXXSMMCJGIVTH-UHFFFAOYSA-N"
"911","NCCCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCCCN[R2]","291.399","291.20591042","0.42","21","2","6","1","8","75.35","C15H25N5O","InChI=1S/C15H25N5O/c16-5-3-1-2-4-6-19-7-9-20(10-8-19)15-17-11-14(13-21)12-18-15/h11-13H,1-10,16H2","BDWYHUOENGKEKO-UHFFFAOYSA-N"
"912","NCCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCCN[R2]","277.372","277.190260356","0.06","20","2","6","1","7","75.35","C14H23N5O","InChI=1S/C14H23N5O/c15-4-2-1-3-5-18-6-8-19(9-7-18)14-16-10-13(12-20)11-17-14/h10-12H,1-9,15H2","OAZULUUEWYPAOB-UHFFFAOYSA-N"
"913","NCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCN[R2]","263.345","263.174610292","-0.29","19","2","6","1","6","75.35","C13H21N5O","InChI=1S/C13H21N5O/c14-3-1-2-4-17-5-7-18(8-6-17)13-15-9-12(11-19)10-16-13/h9-11H,1-8,14H2","DHXPLHKSBHUODO-UHFFFAOYSA-N"
"914","NCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCN[R2]","249.318","249.158960228","-0.65","18","2","6","1","5","75.35","C12H19N5O","InChI=1S/C12H19N5O/c13-2-1-3-16-4-6-17(7-5-16)12-14-8-11(10-18)9-15-12/h8-10H,1-7,13H2","CIZRTCZAAFEONT-UHFFFAOYSA-N"
"915","NCCCCCCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCCCCCCN[R2]","305.426","305.221560484","0.96","22","2","6","1","9","75.35","C16H27N5O","InChI=1S/C16H27N5O/c17-6-4-2-1-3-5-7-20-8-10-21(11-9-20)16-18-12-15(14-22)13-19-16/h12-14H,1-11,17H2","DWJXSLJOPAAYER-UHFFFAOYSA-N"
"916","O=CC1=CC=C(C#CC2CCN(C3CCNCC3)CC2)C=C1","[R1]C(=O)C1=CC=C(C=C1)C#CC2CCN(CC2)C3CCN(CC3)[R2]","296.414","296.188863388","2.48","22","3","3","1","2","32.34","C19H24N2O","InChI=1S/C19H24N2O/c22-15-18-5-3-16(4-6-18)1-2-17-9-13-21(14-10-17)19-7-11-20-12-8-19/h3-6,15,17,19-20H,7-14H2","QLCXDGXPMMSVBD-UHFFFAOYSA-N"
"917","NCCCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCCN[R2]","317.477","317.246712612","2.89","23","2","4","1","10","49.57","C19H31N3O","InChI=1S/C19H31N3O/c20-11-5-3-1-2-4-6-12-21-13-15-22(16-14-21)19-9-7-18(17-23)8-10-19/h7-10,17H,1-6,11-16,20H2","LBWZUSHLKKMMNK-UHFFFAOYSA-N"
"918","NCCCCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCCCN[R2]","331.504","331.262362676","3.43","24","2","4","1","11","49.57","C20H33N3O","InChI=1S/C20H33N3O/c21-12-6-4-2-1-3-5-7-13-22-14-16-23(17-15-22)20-10-8-19(18-24)9-11-20/h8-11,18H,1-7,12-17,21H2","ZBFWEXOQCDXMIV-UHFFFAOYSA-N"
"919","NCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCN[R2]","275.396","275.19976242","1.45","20","2","4","1","7","49.57","C16H25N3O","InChI=1S/C16H25N3O/c17-8-2-1-3-9-18-10-12-19(13-11-18)16-6-4-15(14-20)5-7-16/h4-7,14H,1-3,8-13,17H2","OAZBIRCKDIGQTB-UHFFFAOYSA-N"
"920","NCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCN[R2]","289.423","289.215412484","1.81","21","2","4","1","8","49.57","C17H27N3O","InChI=1S/C17H27N3O/c18-9-3-1-2-4-10-19-11-13-20(14-12-19)17-7-5-16(15-21)6-8-17/h5-8,15H,1-4,9-14,18H2","GWYZXSMPWHWNIO-UHFFFAOYSA-N"
"921","NCCCCCCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCN[R2]","303.45","303.231062548","2.35","22","2","4","1","9","49.57","C18H29N3O","InChI=1S/C18H29N3O/c19-10-4-2-1-3-5-11-20-12-14-21(15-13-20)18-8-6-17(16-22)7-9-18/h6-9,16H,1-5,10-15,19H2","XHFSKXOTCBJIPY-UHFFFAOYSA-N"
"922","COCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CCOC[R2]","248.326","248.15247788","1.17","18","2","4","0","5","32.78","C14H20N2O2","InChI=1S/C14H20N2O2/c1-18-11-10-15-6-8-16(9-7-15)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3","NXCINCOIPOCMDN-UHFFFAOYSA-N"
"923","CN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)C[R2]","204.273","204.126263132","1.32","15","2","3","0","2","23.55","C12H16N2O","InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3","PFODEVGLOVUVHS-UHFFFAOYSA-N"
"924","CCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]C(=O)C1=CC=C(C=C1)N2CCN(CC2)CC[R2]","218.3","218.141913196","1.69","16","2","3","0","3","23.55","C13H18N2O","InChI=1S/C13H18N2O/c1-2-14-7-9-15(10-8-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10H2,1H3","UXVDOPUAJVRFDG-UHFFFAOYSA-N"
"925","COCCN1CCN(C2=CC=C(C=O)N=N2)CC1","[R1]C(=O)C1=NN=C(C=C1)N2CCN(CC2)CCOC[R2]","250.302","250.142975816","-0.24","18","2","6","0","5","58.56","C12H18N4O2","InChI=1S/C12H18N4O2/c1-18-9-8-15-4-6-16(7-5-15)12-3-2-11(10-17)13-14-12/h2-3,10H,4-9H2,1H3","KTJJPXYKTRJPKM-UHFFFAOYSA-N"
"926","COCCN1CCN(C2=CC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(C=C1)N2CCN(CC2)CCOC[R2]","249.314","249.147726848","0.43","18","2","5","0","5","45.67","C13H19N3O2","InChI=1S/C13H19N3O2/c1-18-9-8-15-4-6-16(7-5-15)13-3-2-12(11-17)10-14-13/h2-3,10-11H,4-9H2,1H3","DDXDJLGMOJZWPH-UHFFFAOYSA-N"
"927","COCCN1CCN(C2=CN=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(C=N1)N2CCN(CC2)CCOC[R2]","250.302","250.142975816","-0.3","18","2","6","0","5","58.56","C12H18N4O2","InChI=1S/C12H18N4O2/c1-18-7-6-15-2-4-16(5-3-15)12-9-13-11(10-17)8-14-12/h8-10H,2-7H2,1H3","AVQYUGJIJNRSFW-UHFFFAOYSA-N"
"928","COCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCOC[R2]","250.302","250.142975816","-0.21","18","2","6","0","5","58.56","C12H18N4O2","InChI=1S/C12H18N4O2/c1-18-7-6-15-2-4-16(5-3-15)12-13-8-11(10-17)9-14-12/h8-10H,2-7H2,1H3","ACNPUZJXSFRZGH-UHFFFAOYSA-N"
"929","COCCN1CCN(C2=CC=C(C=O)N=C2)CC1","[R1]C(=O)C1=NC=C(C=C1)N2CCN(CC2)CCOC[R2]","249.314","249.147726848","0.43","18","2","5","0","5","45.67","C13H19N3O2","InChI=1S/C13H19N3O2/c1-18-9-8-15-4-6-16(7-5-15)13-3-2-12(11-17)14-10-13/h2-3,10-11H,4-9H2,1H3","NWEJJQZGEDNEAQ-UHFFFAOYSA-N"
"930","C#CCOCC","[R1]CCOCC#C[R2]","84.118","84.057514876","0.56","6","0","1","0","2","9.23","C5H8O","InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","ADJMUEKUQLFLQP-UHFFFAOYSA-N"
"931","CCOCCOCCOCCOCCO","[R1]CCOCCOCCOCCOCCO[R2]","222.281","222.146723804","-0.68","15","0","5","1","12","57.15","C10H22O5","InChI=1S/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3","GTAKOUPXIUWZIA-UHFFFAOYSA-N"
"932","CCCCCCCCN1C=C(CO)N=N1","[R1]CCCCCCCCN1C=C(N=N1)CO[R2]","211.309","211.168462292","2.19","15","1","4","1","8","50.94","C11H21N3O","InChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-9-11(10-15)12-13-14/h9,15H,2-8,10H2,1H3","IEKALTKLFGFMSM-UHFFFAOYSA-N"
"933","CCOCCOCCN1C=C(CO)N=N1","[R1]CCOCCOCCN1C=C(N=N1)CO[R2]","215.253","215.126991404","-1.16","15","1","6","1","8","69.4","C9H17N3O3","InChI=1S/C9H17N3O3/c1-2-14-5-6-15-4-3-12-7-9(8-13)10-11-12/h7,13H,2-6,8H2,1H3","ANXFOEJMIUVYKR-UHFFFAOYSA-N"
"934","CCOCCOCCOCCN1C=C(CO)N=N1","[R1]CCOCCOCCOCCN1C=C(N=N1)CO[R2]","259.306","259.153206152","-1.3","18","1","7","1","11","78.63","C11H21N3O4","InChI=1S/C11H21N3O4/c1-2-16-5-6-18-8-7-17-4-3-14-9-11(10-15)12-13-14/h9,15H,2-8,10H2,1H3","JQDWUIXCABEAEW-UHFFFAOYSA-N"
"935","CC(=O)NCCNC(=O)CO","[R1]CC(=O)NCCNC(=O)CO[R2]","160.173","160.084792244","-1.8","11","0","3","3","4","78.43","C6H12N2O3","InChI=1S/C6H12N2O3/c1-5(10)7-2-3-8-6(11)4-9/h9H,2-4H2,1H3,(H,7,10)(H,8,11)","JWGSAIZRDOFOEH-UHFFFAOYSA-N"
"936","CC(=O)NCCCNC(=O)CO","[R1]CC(=O)NCCCNC(=O)CO[R2]","174.2","174.100442308","-1.44","12","0","3","3","5","78.43","C7H14N2O3","InChI=1S/C7H14N2O3/c1-6(11)8-3-2-4-9-7(12)5-10/h10H,2-5H2,1H3,(H,8,11)(H,9,12)","CHIKLXYQCFDKRA-UHFFFAOYSA-N"
"937","CC(=O)NCCCCCNC(=O)CO","[R1]CC(=O)NCCCCCNC(=O)CO[R2]","202.254","202.131742436","-0.73","14","0","3","3","7","78.43","C9H18N2O3","InChI=1S/C9H18N2O3/c1-8(13)10-5-3-2-4-6-11-9(14)7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)","JLRWBEZBLSVYBD-UHFFFAOYSA-N"
"938","CC(=O)NCCCCCCNC(=O)CO","[R1]CC(=O)NCCCCCCNC(=O)CO[R2]","216.281","216.1473925","-0.37","15","0","3","3","8","78.43","C10H20N2O3","InChI=1S/C10H20N2O3/c1-9(14)11-6-4-2-3-5-7-12-10(15)8-13/h13H,2-8H2,1H3,(H,11,14)(H,12,15)","KJPXHCILCUXKMA-UHFFFAOYSA-N"
"939","CC(=O)NCCOCCNC(=O)CO","[R1]CC(=O)NCCOCCNC(=O)CO[R2]","204.226","204.111006992","-1.95","14","0","4","3","7","87.66","C8H16N2O4","InChI=1S/C8H16N2O4/c1-7(12)9-2-4-14-5-3-10-8(13)6-11/h11H,2-6H2,1H3,(H,9,12)(H,10,13)","FXKBINPJWPVOTP-UHFFFAOYSA-N"
"940","NCCCCCO","[R1]NCCCCCO[R2]","103.165","103.099714036","-0.33","7","0","2","2","4","46.25","C5H13NO","InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2","LQGKDMHENBFVRC-UHFFFAOYSA-N"
"941","NCCNC(=O)CO","[R1]NCCNC(=O)CO[R2]","118.136","118.07422756","-2.05","8","0","3","3","3","75.35","C4H10N2O2","InChI=1S/C4H10N2O2/c5-1-2-6-4(8)3-7/h7H,1-3,5H2,(H,6,8)","IHQDUEDKOPTHNY-UHFFFAOYSA-N"
"942","NCCCNC(=O)CO","[R1]NCCCNC(=O)CO[R2]","132.163","132.089877624","-1.7","9","0","3","3","4","75.35","C5H12N2O2","InChI=1S/C5H12N2O2/c6-2-1-3-7-5(9)4-8/h8H,1-4,6H2,(H,7,9)","AYRTYYKMBLVODF-UHFFFAOYSA-N"
"943","NCCCCCNC(=O)CO","[R1]NCCCCCNC(=O)CO[R2]","160.217","160.121177752","-0.98","11","0","3","3","6","75.35","C7H16N2O2","InChI=1S/C7H16N2O2/c8-4-2-1-3-5-9-7(11)6-10/h10H,1-6,8H2,(H,9,11)","SFBZTMMQUMHXQN-UHFFFAOYSA-N"
"944","NCCCCCCNC(=O)CO","[R1]NCCCCCCNC(=O)CO[R2]","174.244","174.136827816","-0.62","12","0","3","3","7","75.35","C8H18N2O2","InChI=1S/C8H18N2O2/c9-5-3-1-2-4-6-10-8(12)7-11/h11H,1-7,9H2,(H,10,12)","LYPXVPQYJHRDFB-UHFFFAOYSA-N"
"945","NCCCCCCCNC(=O)CO","[R1]NCCCCCCCNC(=O)CO[R2]","188.271","188.15247788","-0.08","13","0","3","3","8","75.35","C9H20N2O2","InChI=1S/C9H20N2O2/c10-6-4-2-1-3-5-7-11-9(13)8-12/h12H,1-8,10H2,(H,11,13)","NXUCFNATDPJBIC-UHFFFAOYSA-N"
"946","C#CCCC(N)=O","[R1]NC(=O)CCC#C[R2]","97.117","97.052763844","-0.35","7","0","1","1","2","43.09","C5H7NO","InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h1H,3-4H2,(H2,6,7)","KNEPBZMJMJUNQX-UHFFFAOYSA-N"
"947","C#CCCCC(N)=O","[R1]NC(=O)CCCC#C[R2]","111.144","111.068413908","0.01","8","0","1","1","3","43.09","C6H9NO","InChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H2,7,8)","DRXWSHCGSIJSID-UHFFFAOYSA-N"
"948","C#CCCCCC(N)=O","[R1]NC(=O)CCCCC#C[R2]","125.171","125.084063972","0.55","9","0","1","1","4","43.09","C7H11NO","InChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H2,8,9)","WEGGYBNXYQHSQO-UHFFFAOYSA-N"
"949","NCCOCCO","[R1]NCCOCCO[R2]","105.137","105.078978592","-1.55","7","0","3","2","4","55.48","C4H11NO2","InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2","GIAFURWZWWWBQT-UHFFFAOYSA-N"
"950","NCCOCCOCCO","[R1]NCCOCCOCCO[R2]","149.19","149.10519334","-1.69","10","0","4","2","7","64.71","C6H15NO3","InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2","ASDQMECUMYIVBG-UHFFFAOYSA-N"
"951","CCCCCCCCNC(=O)CC","[R1]CCC(=O)NCCCCCCCC[R2]","185.311","185.177964356","3.43","13","0","1","1","8","29.1","C11H23NO","InChI=1S/C11H23NO/c1-3-5-6-7-8-9-10-12-11(13)4-2/h3-10H2,1-2H3,(H,12,13)","RCNSZOSXOKUSCL-UHFFFAOYSA-N"
"952","CCC(=O)NCCCCNCC=O","[R1]CCC(=O)NCCCCNCC(=O)[R2]","186.255","186.136827816","-0.17","13","0","3","2","8","58.2","C9H18N2O2","InChI=1S/C9H18N2O2/c1-2-9(13)11-6-4-3-5-10-7-8-12/h8,10H,2-7H2,1H3,(H,11,13)","XGRNWTWHTZDCIG-UHFFFAOYSA-N"
"953","CCC(=O)NCCCCCCNCC=O","[R1]CCC(=O)NCCCCCCNCC(=O)[R2]","214.309","214.168127944","0.54","15","0","3","2","10","58.2","C11H22N2O2","InChI=1S/C11H22N2O2/c1-2-11(15)13-8-6-4-3-5-7-12-9-10-14/h10,12H,2-9H2,1H3,(H,13,15)","QVQAHLBIFVURJF-UHFFFAOYSA-N"
"954","CCC(=O)NCCCCCCCCNCC=O","[R1]CCC(=O)NCCCCCCCCNCC(=O)[R2]","242.363","242.199428072","1.62","17","0","3","2","12","58.2","C13H26N2O2","InChI=1S/C13H26N2O2/c1-2-13(17)15-10-8-6-4-3-5-7-9-14-11-12-16/h12,14H,2-11H2,1H3,(H,15,17)","GYNAJAVMRWINBN-UHFFFAOYSA-N"
"955","CCC(=O)NCCOCCNCC=O","[R1]CCC(=O)NCCOCCNCC(=O)[R2]","202.254","202.131742436","-1.04","14","0","4","2","9","67.43","C9H18N2O3","InChI=1S/C9H18N2O3/c1-2-9(13)11-5-8-14-7-4-10-3-6-12/h6,10H,2-5,7-8H2,1H3,(H,11,13)","VSGVZXJYXPORPB-UHFFFAOYSA-N"
"956","CCC(=O)NCCOCCOCCNCC=O","[R1]CCC(=O)NCCOCCOCCNCC(=O)[R2]","246.307","246.157957184","-1.18","17","0","5","2","12","76.66","C11H22N2O4","InChI=1S/C11H22N2O4/c1-2-11(15)13-5-8-17-10-9-16-7-4-12-3-6-14/h6,12H,2-5,7-10H2,1H3,(H,13,15)","OIJWZFOMOBKPDT-UHFFFAOYSA-N"
"957","CCC(=O)NCCOCCOCCOCCNCC=O","[R1]CCC(=O)NCCOCCOCCOCCNCC(=O)[R2]","290.36","290.184171932","-1.33","20","0","6","2","15","85.89","C13H26N2O5","InChI=1S/C13H26N2O5/c1-2-13(17)15-5-8-19-10-12-20-11-9-18-7-4-14-3-6-16/h6,14H,2-5,7-12H2,1H3,(H,15,17)","QUDIUNZQAQSCGY-UHFFFAOYSA-N"
"958","CCC(=O)NCCCCNCCC=O","[R1]CCC(=O)NCCCCNCCC(=O)[R2]","200.282","200.15247788","-0.27","14","0","3","2","9","58.2","C10H20N2O2","InChI=1S/C10H20N2O2/c1-2-10(14)12-8-4-3-6-11-7-5-9-13/h9,11H,2-8H2,1H3,(H,12,14)","BFLFIMOTAZXOOR-UHFFFAOYSA-N"
"959","CCC(=O)NCCCCCCNCCC=O","[R1]CCC(=O)NCCCCCCNCCC(=O)[R2]","228.336","228.183778008","0.44","16","0","3","2","11","58.2","C12H24N2O2","InChI=1S/C12H24N2O2/c1-2-12(16)14-10-6-4-3-5-8-13-9-7-11-15/h11,13H,2-10H2,1H3,(H,14,16)","ZRHHQLIPOIANNN-UHFFFAOYSA-N"
"960","CCC(=O)NCCOCCNCCC=O","[R1]CCC(=O)NCCOCCNCCC(=O)[R2]","216.281","216.1473925","-1.13","15","0","4","2","10","67.43","C10H20N2O3","InChI=1S/C10H20N2O3/c1-2-10(14)12-6-9-15-8-5-11-4-3-7-13/h7,11H,2-6,8-9H2,1H3,(H,12,14)","NPQYVPWHMDNIIO-UHFFFAOYSA-N"
"961","CCC(=O)NCCOCCOCCNCCC=O","[R1]CCC(=O)NCCOCCOCCNCCC(=O)[R2]","260.334","260.173607248","-1.28","18","0","5","2","13","76.66","C12H24N2O4","InChI=1S/C12H24N2O4/c1-2-12(16)14-6-9-18-11-10-17-8-5-13-4-3-7-15/h7,13H,2-6,8-11H2,1H3,(H,14,16)","YXOZGMDVCSMFEO-UHFFFAOYSA-N"
"962","CCC(=O)NCCCCNC(=O)CO","[R1]CCC(=O)NCCCCNC(=O)CO[R2]","202.254","202.131742436","-0.61","14","0","3","3","7","78.43","C9H18N2O3","InChI=1S/C9H18N2O3/c1-2-8(13)10-5-3-4-6-11-9(14)7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)","BMKGRZVHBMIQOK-UHFFFAOYSA-N"
"963","CCC(=O)NCCCCCCNC(=O)CO","[R1]CCC(=O)NCCCCCCNC(=O)CO[R2]","230.308","230.163042564","0.1","16","0","3","3","9","78.43","C11H22N2O3","InChI=1S/C11H22N2O3/c1-2-10(15)12-7-5-3-4-6-8-13-11(16)9-14/h14H,2-9H2,1H3,(H,12,15)(H,13,16)","MKVKXGSQRHLSLH-UHFFFAOYSA-N"
"964","CCC(=O)NCCCCCCCCNC(=O)CO","[R1]CCC(=O)NCCCCCCCCNC(=O)CO[R2]","258.362","258.194342692","1.18","18","0","3","3","11","78.43","C13H26N2O3","InChI=1S/C13H26N2O3/c1-2-12(17)14-9-7-5-3-4-6-8-10-15-13(18)11-16/h16H,2-11H2,1H3,(H,14,17)(H,15,18)","ZEGWMZYHPJAPDX-UHFFFAOYSA-N"
"965","CCC(=O)NCCOCCNC(=O)CO","[R1]CCC(=O)NCCOCCNC(=O)CO[R2]","218.253","218.126657056","-1.48","15","0","4","3","8","87.66","C9H18N2O4","InChI=1S/C9H18N2O4/c1-2-8(13)10-3-5-15-6-4-11-9(14)7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)","QAEYEPVQGPGHDZ-UHFFFAOYSA-N"
"966","CCC(=O)NCCOCCOCCNC(=O)CO","[R1]CCC(=O)NCCOCCOCCNC(=O)CO[R2]","262.306","262.152871804","-1.62","18","0","5","3","11","96.89","C11H22N2O5","InChI=1S/C11H22N2O5/c1-2-10(15)12-3-5-17-7-8-18-6-4-13-11(16)9-14/h14H,2-9H2,1H3,(H,12,15)(H,13,16)","FLRGLMYGMGIDDO-UHFFFAOYSA-N"
"967","CCC(=O)NCCOCCOCCOCCNC(=O)CO","[R1]CCC(=O)NCCOCCOCCOCCNC(=O)CO[R2]","306.359","306.179086552","-1.77","21","0","6","3","14","106.12","C13H26N2O6","InChI=1S/C13H26N2O6/c1-2-12(17)14-3-5-19-7-9-21-10-8-20-6-4-15-13(18)11-16/h16H,2-11H2,1H3,(H,14,17)(H,15,18)","LNVXGEATCIPVSB-UHFFFAOYSA-N"
"968","CCOCCOCCN(C)CC=O","[R1]CCOCCOCCN(C)CC(=O)[R2]","189.255","189.136493468","-0.13","13","0","4","0","9","38.77","C9H19NO3","InChI=1S/C9H19NO3/c1-3-12-8-9-13-7-5-10(2)4-6-11/h6H,3-5,7-9H2,1-2H3","NCFBSCAHPYQLNT-UHFFFAOYSA-N"
"969","CCOCCOCCOCCN(C)CC=O","[R1]CCOCCOCCOCCN(C)CC(=O)[R2]","233.308","233.162708216","-0.28","16","0","5","0","12","48","C11H23NO4","InChI=1S/C11H23NO4/c1-3-14-8-9-16-11-10-15-7-5-12(2)4-6-13/h6H,3-5,7-11H2,1-2H3","SYGRXDVWYZCFJZ-UHFFFAOYSA-N"
"970","CCOCCOCCOCCOCCN(C)CC=O","[R1]CCOCCOCCOCCOCCN(C)CC(=O)[R2]","277.361","277.188922964","-0.43","19","0","6","0","15","57.23","C13H27NO5","InChI=1S/C13H27NO5/c1-3-16-8-9-18-12-13-19-11-10-17-7-5-14(2)4-6-15/h6H,3-5,7-13H2,1-2H3","TYIOYOVEQMGKPQ-UHFFFAOYSA-N"
"971","NCCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCCN[R2]","249.307","249.157622836","-1.87","17","0","6","1","14","80.01","C11H23NO5","InChI=1S/C11H23NO5/c12-2-5-15-7-9-17-11-10-16-8-6-14-4-1-3-13/h3H,1-2,4-12H2","ORBOSPTWQGKEDA-UHFFFAOYSA-N"
"972","CCOCCNC(=O)CO","[R1]CCOCCNC(=O)CO[R2]","147.174","147.089543276","-0.89","10","0","3","2","5","58.56","C6H13NO3","InChI=1S/C6H13NO3/c1-2-10-4-3-7-6(9)5-8/h8H,2-5H2,1H3,(H,7,9)","BOQCRSNIDAXGBH-UHFFFAOYSA-N"
"973","CCOCCOCCNC(=O)CO","[R1]CCOCCOCCNC(=O)CO[R2]","191.227","191.115758024","-1.04","13","0","4","2","8","67.79","C8H17NO4","InChI=1S/C8H17NO4/c1-2-12-5-6-13-4-3-9-8(11)7-10/h10H,2-7H2,1H3,(H,9,11)","YSJMRGUNPOPSRN-UHFFFAOYSA-N"
"974","CCOCCOCCOCCOCCNC(=O)CO","[R1]CCOCCOCCOCCOCCNC(=O)CO[R2]","279.333","279.16818752","-1.34","19","0","6","2","14","86.25","C12H25NO6","InChI=1S/C12H25NO6/c1-2-16-5-6-18-9-10-19-8-7-17-4-3-13-12(15)11-14/h14H,2-11H2,1H3,(H,13,15)","NUHSPVQXOVPPHQ-UHFFFAOYSA-N"
"975","CCOCCOCC(N)=O","[R1]NC(=O)COCCOCC[R2]","147.174","147.089543276","-0.76","10","0","3","1","6","61.55","C6H13NO3","InChI=1S/C6H13NO3/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H2,7,8)","NHCPQLWQFVVDHX-UHFFFAOYSA-N"
"976","CCOCCOCCOCC(N)=O","[R1]NC(=O)COCCOCCOCC[R2]","191.227","191.115758024","-0.91","13","0","4","1","9","70.78","C8H17NO4","InChI=1S/C8H17NO4/c1-2-11-3-4-12-5-6-13-7-8(9)10/h2-7H2,1H3,(H2,9,10)","NNBNUYZWLQIAQC-UHFFFAOYSA-N"
"977","CCOCCOCCOCCOCC(N)=O","[R1]NC(=O)COCCOCCOCCOCC[R2]","235.28","235.141972772","-1.05","16","0","5","1","12","80.01","C10H21NO5","InChI=1S/C10H21NO5/c1-2-13-3-4-14-5-6-15-7-8-16-9-10(11)12/h2-9H2,1H3,(H2,11,12)","HORIVGWLKLJAPF-UHFFFAOYSA-N"
"978","CCC(N)=O","[R1]NC(=O)CC[R2]","73.095","73.052763844","-0.39","5","0","1","1","1","43.09","C3H7NO","InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","QLNJFJADRCOGBJ-UHFFFAOYSA-N"
"979","CCCCC(N)=O","[R1]NC(=O)CCCC[R2]","101.149","101.084063972","0.51","7","0","1","1","3","43.09","C5H11NO","InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)","IPWFJLQDVFKJDU-UHFFFAOYSA-N"
"980","CCCCCCC(N)=O","[R1]NC(=O)CCCCCC[R2]","129.203","129.1153641","1.59","9","0","1","1","5","43.09","C7H15NO","InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)","AEDIXYWIVPYNBI-UHFFFAOYSA-N"
"981","CCCCCCCCC(N)=O","[R1]NC(=O)CCCCCCCC[R2]","157.257","157.146664228","2.68","11","0","1","1","7","43.09","C9H19NO","InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)","GHLZUHZBBNDWHW-UHFFFAOYSA-N"
"982","CCOCCOCCOCCCCC=O","[R1]C(=O)CCCCOCCOCCOCC[R2]","218.293","218.151809184","0.3","15","0","4","0","12","44.76","C11H22O4","InChI=1S/C11H22O4/c1-2-13-8-9-15-11-10-14-7-5-3-4-6-12/h6H,2-5,7-11H2,1H3","TVTONMGAFMBIEE-UHFFFAOYSA-N"
"983","CCCOCCCCOCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCOCCCCOCCC[R2]","273.373","273.194008344","0.58","19","0","4","1","14","64.63","C14H27NO4","InChI=1S/C14H27NO4/c1-2-10-18-11-3-4-12-19-13-6-8-15-14(17)7-5-9-16/h9H,2-8,10-13H2,1H3,(H,15,17)","LYEKRVSKERKZTQ-UHFFFAOYSA-N"
"984","CCCCCCOCCCCCOCCCCC=O","[R1]C(=O)CCCCOCCCCCOCCCCCC[R2]","272.429","272.235144884","3.48","19","0","3","0","16","35.53","C16H32O3","InChI=1S/C16H32O3/c1-2-3-4-8-13-18-15-10-6-11-16-19-14-9-5-7-12-17/h12H,2-11,13-16H2,1H3","MREZGIJDDKLJAB-UHFFFAOYSA-N"
"985","CCCCCCOCCCCCCOCCCCCC=O","[R1]C(=O)CCCCCOCCCCCCOCCCCCC[R2]","300.483","300.266445012","4.2","21","0","3","0","18","35.53","C18H36O3","InChI=1S/C18H36O3/c1-2-3-4-10-15-20-17-12-7-8-13-18-21-16-11-6-5-9-14-19/h14H,2-13,15-18H2,1H3","SGYAHJQVKILNRH-UHFFFAOYSA-N"
"986","CCCCOCCCCOCCCCOCCCCCC=O","[R1]C(=O)CCCCCOCCCCOCCCCOCCCC[R2]","316.482","316.261359632","2.97","22","0","4","0","19","44.76","C18H36O4","InChI=1S/C18H36O4/c1-2-3-13-20-15-8-9-17-22-18-11-10-16-21-14-7-5-4-6-12-19/h12H,2-11,13-18H2,1H3","ILSJXDDMHYRCAR-UHFFFAOYSA-N"
"987","CCCCCCOCCCCOCCCCOCCCCOCCCCCC=O","[R1]C(=O)CCCCCOCCCCOCCCCOCCCCOCCCCCC[R2]","416.643","416.350174636","4.62","29","0","5","0","26","53.99","C24H48O5","InChI=1S/C24H48O5/c1-2-3-4-8-17-26-19-10-12-21-28-23-14-15-24-29-22-13-11-20-27-18-9-6-5-7-16-25/h16H,2-15,17-24H2,1H3","HFKSJAJZQDJXQR-UHFFFAOYSA-N"
"988","CCCCCCOCCOCCOCCOCCOCCOCCCCCC=O","[R1]C(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCC[R2]","420.587","420.308703748","2.18","29","0","7","0","26","72.45","C22H44O7","InChI=1S/C22H44O7/c1-2-3-4-8-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-9-6-5-7-10-23/h10H,2-9,11-22H2,1H3","AZIKOAQQSVTNGC-UHFFFAOYSA-N"
"989","CCOCCOCCOCCN","[R1]CCOCCOCCOCCN[R2]","177.244","177.136493468","-0.79","12","0","4","1","9","53.71","C8H19NO3","InChI=1S/C8H19NO3/c1-2-10-5-6-12-8-7-11-4-3-9/h2-9H2,1H3","WWJVRDMJNJTOBL-UHFFFAOYSA-N"
"990","NCCOCCOCCNC(=O)CO","[R1]NCCOCCOCCNC(=O)CO[R2]","206.242","206.126657056","-2.35","14","0","5","3","9","93.81","C8H18N2O4","InChI=1S/C8H18N2O4/c9-1-3-13-5-6-14-4-2-10-8(12)7-11/h11H,1-7,9H2,(H,10,12)","YSTUQSIFXBNAOT-UHFFFAOYSA-N"
"991","NCCOCCNC(=O)CO","[R1]NCCOCCNC(=O)CO[R2]","162.189","162.100442308","-2.2","11","0","4","3","6","84.58","C6H14N2O3","InChI=1S/C6H14N2O3/c7-1-3-11-4-2-8-6(10)5-9/h9H,1-5,7H2,(H,8,10)","FTBLOENAESLBFM-UHFFFAOYSA-N"
"992","CCOCCOCCOCCOCCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC[R2]","410.504","410.251582796","-1.15","28","0","9","0","25","90.91","C19H38O9","InChI=1S/C19H38O9/c1-2-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-3-4-20/h4H,2-3,5-19H2,1H3","NSIIVBKTTWZVBU-UHFFFAOYSA-N"
"993","CCCOCCOCCOCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCOCCOCCOCCC[R2]","289.372","289.188922964","-0.28","20","0","5","1","15","73.86","C14H27NO5","InChI=1S/C14H27NO5/c1-2-8-18-10-12-20-13-11-19-9-4-6-15-14(17)5-3-7-16/h7H,2-6,8-13H2,1H3,(H,15,17)","KAZVYKPEGHVBSS-UHFFFAOYSA-N"
"994","CCCNC(=O)CCOCCOCCOCC","[R1]CCCNC(=O)CCOCCOCCOCC[R2]","247.335","247.17835828","0.29","17","0","4","1","12","56.79","C12H25NO4","InChI=1S/C12H25NO4/c1-3-6-13-12(14)5-7-16-10-11-17-9-8-15-4-2/h3-11H2,1-2H3,(H,13,14)","NBKPZJBBKGPIJV-UHFFFAOYSA-N"
"995","CCCNC(=O)CCOCCOCCOCCOCC","[R1]CCCNC(=O)CCOCCOCCOCCOCC[R2]","291.388","291.204573028","0.14","20","0","5","1","15","66.02","C14H29NO5","InChI=1S/C14H29NO5/c1-3-6-15-14(16)5-7-18-10-11-20-13-12-19-9-8-17-4-2/h3-13H2,1-2H3,(H,15,16)","DFLDBRXTRJJFKC-UHFFFAOYSA-N"
"996","CCCNC(=O)CCOCCOCCOCCOCCOCC","[R1]CCCNC(=O)CCOCCOCCOCCOCCOCC[R2]","335.441","335.230787776","0","23","0","6","1","18","75.25","C16H33NO6","InChI=1S/C16H33NO6/c1-3-6-17-16(18)5-7-20-10-11-22-14-15-23-13-12-21-9-8-19-4-2/h3-15H2,1-2H3,(H,17,18)","UDSYHQHLBBGNDT-UHFFFAOYSA-N"
"997","CCCNC(=O)CCOCCOCCOCCOCCOCCOCC","[R1]CCCNC(=O)CCOCCOCCOCCOCCOCCOCC[R2]","379.494","379.257002524","-0.15","26","0","7","1","21","84.48","C18H37NO7","InChI=1S/C18H37NO7/c1-3-6-19-18(20)5-7-22-10-11-24-14-15-26-17-16-25-13-12-23-9-8-21-4-2/h3-17H2,1-2H3,(H,19,20)","REPCTFQRHOGVEE-UHFFFAOYSA-N"
"998","CCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCC","[R1]CCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCC[R2]","626.785","626.398975296","-1.49","43","0","12","2","36","150.5","C29H58N2O12","InChI=1S/C29H58N2O12/c1-3-7-30-28(32)5-9-35-14-17-39-23-26-43-27-24-41-19-16-37-11-8-31-29(33)6-10-36-15-18-40-22-25-42-21-20-38-13-12-34-4-2/h3-27H2,1-2H3,(H,30,32)(H,31,33)","DDCZNDUMQFIGCE-UHFFFAOYSA-N"
"999","CCCCCCNC(=O)CC","[R1]CCCCCCNC(=O)CC[R2]","157.257","157.146664228","2.35","11","0","1","1","6","29.1","C9H19NO","InChI=1S/C9H19NO/c1-3-5-6-7-8-10-9(11)4-2/h3-8H2,1-2H3,(H,10,11)","WVNFFHLXDXOSGO-UHFFFAOYSA-N"
"1000","CCOCCOCCOCCOCCC(=O)N1CCCCC1","[R1]C1CCN(CC1)C(=O)CCOCCOCCOCCOCC[R2]","317.426","317.220223092","0.28","22","1","5","0","13","57.23","C16H31NO5","InChI=1S/C16H31NO5/c1-2-19-10-11-21-14-15-22-13-12-20-9-6-16(18)17-7-4-3-5-8-17/h2-15H2,1H3","GORQSGKROVUXHB-UHFFFAOYSA-N"
"1001","CCOCCOCCOCCC(=O)N1CCCCC1","[R1]C1CCN(CC1)C(=O)CCOCCOCCOCC[R2]","273.373","273.194008344","0.43","19","1","4","0","10","48","C14H27NO4","InChI=1S/C14H27NO4/c1-2-17-10-11-19-13-12-18-9-6-14(16)15-7-4-3-5-8-15/h2-13H2,1H3","IOKWKYZOEBVEBU-UHFFFAOYSA-N"
"1002","CCOCCOCCOCCC(=O)N1CC(C)C1","[R1]CC1CN(C1)C(=O)CCOCCOCCOCC[R2]","259.346","259.17835828","0.15","18","1","4","0","10","48","C13H25NO4","InChI=1S/C13H25NO4/c1-3-16-6-7-18-9-8-17-5-4-13(15)14-10-12(2)11-14/h12H,3-11H2,1-2H3","CUZHEHSKFZQZPO-UHFFFAOYSA-N"
"1003","CCCCCCCCCC(=O)N1CCN(CC2=CC=C(C)C=C2)CC1","[R1]CCCCCCCCCC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C[R2]","344.543","344.282763772","5.47","25","2","2","0","10","23.55","C22H36N2O","InChI=1S/C22H36N2O/c1-3-4-5-6-7-8-9-10-22(25)24-17-15-23(16-18-24)19-21-13-11-20(2)12-14-21/h11-14H,3-10,15-19H2,1-2H3","XZIZADNFZVHVRR-UHFFFAOYSA-N"
"1004","CCCCCCCCCC(=O)N1CCNCC1","[R1]CCCCCCCCCC(=O)N1CCN(CC1)[R2]","240.391","240.220163516","3.14","17","1","2","1","8","32.34","C14H28N2O","InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14(17)16-12-10-15-11-13-16/h15H,2-13H2,1H3","CJFPGCKUAUNMHO-UHFFFAOYSA-N"
"1005","CCCOCCCCOCCCNC(C)=O","[R1]CC(=O)NCCCOCCCCOCCC[R2]","231.336","231.18344366","1.21","16","0","3","1","11","47.56","C12H25NO3","InChI=1S/C12H25NO3/c1-3-8-15-9-4-5-10-16-11-6-7-13-12(2)14/h3-11H2,1-2H3,(H,13,14)","QXBRTKUNDWWBCM-UHFFFAOYSA-N"
"1006","CCOCC1=CN(CCOCCOCCC=O)N=N1","[R1]C(=O)CCOCCOCCN1C=C(N=N1)COCC[R2]","271.317","271.153206152","-1.19","19","1","7","0","12","75.47","C12H21N3O4","InChI=1S/C12H21N3O4/c1-2-17-11-12-10-15(14-13-12)4-7-19-9-8-18-6-3-5-16/h5,10H,2-4,6-9,11H2,1H3","VRVRIXZCPFKIQB-UHFFFAOYSA-N"
"1007","C#CCOCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCOCC#C[R2]","244.287","244.13107374","-0.82","17","0","5","0","13","53.99","C12H20O5","InChI=1S/C12H20O5/c1-2-5-14-7-9-16-11-12-17-10-8-15-6-3-4-13/h1,4H,3,5-12H2","NEBHYQIAMLUJDI-UHFFFAOYSA-N"
"1008","OCCOCCO","[R1]OCCOCCO[R2]","106.121","106.06299418","-1.29","7","0","3","2","4","49.69","C4H10O3","InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2","MTHSVFCYNBDYFN-UHFFFAOYSA-N"
"1009","OCC1=CN=C(CO)C=N1","[R1]OCC1=CN=C(C=N1)CO[R2]","140.142","140.058577496","-1.92","10","1","4","2","2","66.24","C6H8N2O2","InChI=1S/C6H8N2O2/c9-3-5-1-7-6(4-10)2-8-5/h1-2,9-10H,3-4H2","HTXOIHGJECPJIU-UHFFFAOYSA-N"
"1010","CCOCCN1C=C(COCC)N=N1","[R1]CCOCC1=CN(N=N1)CCOCC[R2]","199.254","199.132076784","-0.11","14","1","5","0","7","49.17","C9H17N3O2","InChI=1S/C9H17N3O2/c1-3-13-6-5-12-7-9(10-11-12)8-14-4-2/h7H,3-6,8H2,1-2H3","GRLLJNJWRWKWSX-UHFFFAOYSA-N"
"1011","CCOCCOCCOCCN1C=C(COCC)N=N1","[R1]CCOCC1=CN(N=N1)CCOCCOCCOCC[R2]","287.36","287.18450628","-0.4","20","1","7","0","13","67.63","C13H25N3O4","InChI=1S/C13H25N3O4/c1-3-17-7-8-20-10-9-19-6-5-16-11-13(14-15-16)12-18-4-2/h11H,3-10,12H2,1-2H3","YBYSAXFBXHPGBP-UHFFFAOYSA-N"
"1012","CN1CCNCC1","[R1]N1CCN(CC1)C[R2]","100.165","100.100048384","-0.39","7","1","2","1","0","15.27","C5H12N2","InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3","PVOAHINGSUIXLS-UHFFFAOYSA-N"
"1013","CCCO","[R1]OCCC[R2]","60.096","60.057514876","0.44","4","0","1","1","1","20.23","C3H8O","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","BDERNNFJNOPAEC-UHFFFAOYSA-N"
"1014","CC(=O)NCCCN(C)C(C)C","[R1]C(C)(C)N(C)CCCNC(=O)C[R2]","172.272","172.15756326","0.73","12","0","2","1","5","32.34","C9H20N2O","InChI=1S/C9H20N2O/c1-8(2)11(4)7-5-6-10-9(3)12/h8H,5-7H2,1-4H3,(H,10,12)","KDDWELLQASOHNW-UHFFFAOYSA-N"
"1015","CC(=O)NCCCCN(C)C(C)C","[R1]C(C)(C)N(C)CCCCNC(=O)C[R2]","186.299","186.173213324","1.09","13","0","2","1","6","32.34","C10H22N2O","InChI=1S/C10H22N2O/c1-9(2)12(4)8-6-5-7-11-10(3)13/h9H,5-8H2,1-4H3,(H,11,13)","LVBHCIMSCQFXKA-UHFFFAOYSA-N"
"1016","CC(=O)NCCOCCN(C)C(C)C","[R1]C(C)(C)N(C)CCOCCNC(=O)C[R2]","202.298","202.168127944","0.23","14","0","3","1","7","41.57","C10H22N2O2","InChI=1S/C10H22N2O2/c1-9(2)12(4)6-8-14-7-5-11-10(3)13/h9H,5-8H2,1-4H3,(H,11,13)","BXCKIGATIPFOMS-UHFFFAOYSA-N"
"1017","CC(=O)NCCOCCOCCN(C)C(C)C","[R1]C(C)(C)N(C)CCOCCOCCNC(=O)C[R2]","246.351","246.194342692","0.08","17","0","4","1","10","50.8","C12H26N2O3","InChI=1S/C12H26N2O3/c1-11(2)14(4)6-8-17-10-9-16-7-5-13-12(3)15/h11H,5-10H2,1-4H3,(H,13,15)","WDKNYGIKNAZDNY-UHFFFAOYSA-N"
"1018","CC(=O)NCCOCCOCCOCCN(C)C(C)C","[R1]C(C)(C)N(C)CCOCCOCCOCCNC(=O)C[R2]","290.404","290.22055744","-0.06","20","0","5","1","13","60.03","C14H30N2O4","InChI=1S/C14H30N2O4/c1-13(2)16(4)6-8-19-10-12-20-11-9-18-7-5-15-14(3)17/h13H,5-12H2,1-4H3,(H,15,17)","MFJGKGROGOLTMK-UHFFFAOYSA-N"
"1019","CC(=O)NCCN(C)C(C)C","[R1]C(C)(C)N(C)CCNC(=O)C[R2]","158.245","158.141913196","0.38","11","0","2","1","4","32.34","C8H18N2O","InChI=1S/C8H18N2O/c1-7(2)10(4)6-5-9-8(3)11/h7H,5-6H2,1-4H3,(H,9,11)","WFGDITSPCFYUOZ-UHFFFAOYSA-N"
"1020","CCCCN(C)C(C)C","[R1]C(C)(C)N(C)CCCC[R2]","129.247","129.151749608","2.31","9","0","1","0","4","3.24","C8H19N","InChI=1S/C8H19N/c1-5-6-7-9(4)8(2)3/h8H,5-7H2,1-4H3","KKBDINYFLTTZAQ-UHFFFAOYSA-N"
"1021","CCCN(C)C(C)C","[R1]C(C)(C)N(C)CCC[R2]","115.22","115.136099544","1.96","8","0","1","0","3","3.24","C7H17N","InChI=1S/C7H17N/c1-5-6-8(4)7(2)3/h7H,5-6H2,1-4H3","OYQDUCLFZSKBCZ-UHFFFAOYSA-N"
"1022","CC(C)N(C)CCCNC(=O)CO","[R1]C(C)(C)N(C)CCCNC(=O)CO[R2]","188.271","188.15247788","0.08","13","0","3","2","6","52.57","C9H20N2O2","InChI=1S/C9H20N2O2/c1-8(2)11(3)6-4-5-10-9(13)7-12/h8,12H,4-7H2,1-3H3,(H,10,13)","GECLTMRIXDTICE-UHFFFAOYSA-N"
"1023","CC(=O)NCCCN(C)C","[R1]CN(C)CCCNC(=O)C[R2]","144.218","144.126263132","-0.06","10","0","2","1","4","32.34","C7H16N2O","InChI=1S/C7H16N2O/c1-7(10)8-5-4-6-9(2)3/h4-6H2,1-3H3,(H,8,10)","OHLICMMXIJECIN-UHFFFAOYSA-N"
"1024","CCCN(C)CCCNC(C)=O","[R1]CCCN(C)CCCNC(=O)C[R2]","172.272","172.15756326","0.83","12","0","2","1","6","32.34","C9H20N2O","InChI=1S/C9H20N2O/c1-4-7-11(3)8-5-6-10-9(2)12/h4-8H2,1-3H3,(H,10,12)","JANJMBPFCYDLQZ-UHFFFAOYSA-N"
"1025","CC(=O)NCCOCCN(C)C","[R1]CN(C)CCOCCNC(=O)C[R2]","174.244","174.136827816","-0.57","12","0","3","1","6","41.57","C8H18N2O2","InChI=1S/C8H18N2O2/c1-8(11)9-4-6-12-7-5-10(2)3/h4-7H2,1-3H3,(H,9,11)","NCCAWFFMEPWOOH-UHFFFAOYSA-N"
"1026","CCCN(C)CCOCCNC(C)=O","[R1]CCCN(C)CCOCCNC(=O)C[R2]","202.298","202.168127944","0.32","14","0","3","1","8","41.57","C10H22N2O2","InChI=1S/C10H22N2O2/c1-4-6-12(3)7-9-14-8-5-11-10(2)13/h4-9H2,1-3H3,(H,11,13)","ZFWHIVXUTMRFOV-UHFFFAOYSA-N"
"1027","CC(=O)NCCCN(C)C(C)(C)CCC#N","[R1]C(CC(C)(C)N(C)CCCNC(=O)C[R2])C#N","225.336","225.184112356","0.6","16","0","3","1","7","56.13","C12H23N3O","InChI=1S/C12H23N3O/c1-11(16)14-9-6-10-15(4)12(2,3)7-5-8-13/h5-7,9-10H2,1-4H3,(H,14,16)","LJNAQLYOVRMQER-UHFFFAOYSA-N"
"1028","CN(C)CCOCCNC(=O)CN","[R1]CN(C)CCOCCNC(=O)CN[R2]","189.259","189.147726848","-1.48","13","0","4","2","7","67.59","C8H19N3O2","InChI=1S/C8H19N3O2/c1-11(2)4-6-13-5-3-10-8(12)7-9/h3-7,9H2,1-2H3,(H,10,12)","IELFBMABZWXVAF-UHFFFAOYSA-N"
"1029","CCCN(C)CCOCCNC(=O)CN","[R1]CCCN(C)CCOCCNC(=O)CN[R2]","217.313","217.179026976","-0.59","15","0","4","2","9","67.59","C10H23N3O2","InChI=1S/C10H23N3O2/c1-3-5-13(2)6-8-15-7-4-12-10(14)9-11/h3-9,11H2,1-2H3,(H,12,14)","WYTCOWNFAQMJJZ-UHFFFAOYSA-N"
"1030","CC(C)N(C)CCOCCNC(=O)CN","[R1]C(C)(C)N(C)CCOCCNC(=O)CN[R2]","217.313","217.179026976","-0.68","15","0","4","2","8","67.59","C10H23N3O2","InChI=1S/C10H23N3O2/c1-9(2)13(3)5-7-15-6-4-12-10(14)8-11/h9H,4-8,11H2,1-3H3,(H,12,14)","OOMRMVJYDVKEIA-UHFFFAOYSA-N"
"1031","CCCNC(=O)CC","[R1]CCCNC(=O)CC[R2]","115.176","115.099714036","0.91","8","0","1","1","3","29.1","C6H13NO","InChI=1S/C6H13NO/c1-3-5-7-6(8)4-2/h3-5H2,1-2H3,(H,7,8)","YUMCRXLLWKQDJY-UHFFFAOYSA-N"
"1032","NCCCCCCCC=O","[R1]NCCCCCCCC(=O)[R2]","143.23","143.131014164","0.87","10","0","2","1","7","43.09","C8H17NO","InChI=1S/C8H17NO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7,9H2","GKOPBHPTLGFKOR-UHFFFAOYSA-N"
"1033","NCCCCCCCCCCC=O","[R1]NCCCCCCCCCCC(=O)[R2]","185.311","185.177964356","2.5","13","0","2","1","10","43.09","C11H23NO","InChI=1S/C11H23NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h11H,1-10,12H2","XSVQSLVVCYRXCL-UHFFFAOYSA-N"
"1034","NCCCCCCCCCCCC=O","[R1]NCCCCCCCCCCCC(=O)[R2]","199.338","199.19361442","3.04","14","0","2","1","11","43.09","C12H25NO","InChI=1S/C12H25NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,1-11,13H2","GDWQVDJDAUJLON-UHFFFAOYSA-N"
"1035","CCCCNC(=O)CO","[R1]OCC(=O)NCCCC[R2]","131.175","131.094628656","0.14","9","0","2","2","4","49.33","C6H13NO2","InChI=1S/C6H13NO2/c1-2-3-4-7-6(9)5-8/h8H,2-5H2,1H3,(H,7,9)","WFYNRXPMFUYIDC-UHFFFAOYSA-N"
"1036","CNC(=O)CCCC=O","[R1]CNC(=O)CCCC(=O)[R2]","129.159","129.078978592","-0.73","9","0","2","1","4","46.17","C6H11NO2","InChI=1S/C6H11NO2/c1-7-6(9)4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)","MGPSVKVFOOVOFZ-UHFFFAOYSA-N"
"1037","O=CCN1CCC(CNC=O)CC1","[R1]C(=O)NCC1CCN(CC1)CC(=O)[R2]","184.239","184.121177752","0.46","13","1","3","1","5","49.41","C9H16N2O2","InChI=1S/C9H16N2O2/c12-6-5-11-3-1-9(2-4-11)7-10-8-13/h6,8-9H,1-5,7H2,(H,10,13)","AYWVMRKDYWNHKQ-UHFFFAOYSA-N"
"1038","O=CCCCC=O","[R1]C(=O)CCCC(=O)[R2]","100.117","100.052429496","-0.55","7","0","2","0","4","34.14","C5H8O2","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2","SXRSQZLOMIGNAQ-UHFFFAOYSA-N"
"1039","CC1CCN(C=O)CC1","[R1]CC1CCN(CC1)C(=O)[R2]","127.187","127.099714036","1.56","9","1","1","0","1","20.31","C7H13NO","InChI=1S/C7H13NO/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3","WCKITLGQGJSRBV-UHFFFAOYSA-N"
"1040","NCCCCCC(N)=O","[R1]NC(=O)CCCCCN[R2]","130.191","130.110613068","-0.8","9","0","2","2","5","69.11","C6H14N2O","InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)","ZLHYDRXTDZFRDZ-UHFFFAOYSA-N"
"1041","NCCOCCOCC(N)=O","[R1]NC(=O)COCCOCCN[R2]","162.189","162.100442308","-2.07","11","0","4","2","7","87.57","C6H14N2O3","InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)","CDFONQZJZPNQML-UHFFFAOYSA-N"
"1042","CCCCCCCCNC(C)=O","[R1]CCCCCCCCNC(=O)C[R2]","171.284","171.162314292","2.96","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-11-10(2)12/h3-9H2,1-2H3,(H,11,12)","GLJKLMQZANYKBO-UHFFFAOYSA-N"
"1043","C1CC(CCN2CCNCC2)CCN1","[R1]N1CCC(CC1)CCN2CCN(CC2)[R2]","197.326","197.189197736","0.28","14","2","3","2","3","27.3","C11H23N3","InChI=1S/C11H23N3/c1-4-12-5-2-11(1)3-8-14-9-6-13-7-10-14/h11-13H,1-10H2","MXTMUSBXYDAXEK-UHFFFAOYSA-N"
"1044","C1CC(OCCN2CCNCC2)CCN1","[R1]N1CCC(CC1)OCCN2CCN(CC2)[R2]","213.325","213.184112356","-0.41","15","2","4","2","4","36.53","C11H23N3O","InChI=1S/C11H23N3O/c1-3-12-4-2-11(1)15-10-9-14-7-5-13-6-8-14/h11-13H,1-10H2","JXCKBJKSCSVLCY-UHFFFAOYSA-N"
"1045","OCCCCCN1CCNCC1","[R1]OCCCCCN1CCN(CC1)[R2]","172.272","172.15756326","0","12","1","3","2","5","35.5","C9H20N2O","InChI=1S/C9H20N2O/c12-9-3-1-2-6-11-7-4-10-5-8-11/h10,12H,1-9H2","JQOBQNAVHUEQPB-UHFFFAOYSA-N"
"1046","C1CC(CN2CCN(CC3CCNCC3)CC2)CCN1","[R1]N1CCC(CC1)CN2CCN(CC2)CC3CCN(CC3)[R2]","280.46","280.262697024","0.71","20","3","4","2","4","30.54","C16H32N4","InChI=1S/C16H32N4/c1-5-17-6-2-15(1)13-19-9-11-20(12-10-19)14-16-3-7-18-8-4-16/h15-18H,1-14H2","CXPVURPCWVRDAG-UHFFFAOYSA-N"
"1047","C1CC(CCN2CCC3(CCNCC3)CC2)CCN1","[R1]N1CCC2(CC1)CCN(CC2)CCC3CCN(CC3)[R2]","265.445","265.251797992","1.6","19","3","3","2","3","27.3","C16H31N3","InChI=1S/C16H31N3/c1-8-17-9-2-15(1)3-12-19-13-6-16(7-14-19)4-10-18-11-5-16/h15,17-18H,1-14H2","DILBUBUHQKMCKO-UHFFFAOYSA-N"
"1048","C1CC(CCN2CCC3(CCNCC3)CC2)CCN1","[R1]N1CCC(CC1)CCN2CCC3(CCN(CC3)[R2])CC2","265.445","265.251797992","1.6","19","3","3","2","3","27.3","C16H31N3","InChI=1S/C16H31N3/c1-8-17-9-2-15(1)3-12-19-13-6-16(7-14-19)4-10-18-11-5-16/h15,17-18H,1-14H2","DILBUBUHQKMCKO-UHFFFAOYSA-N"
"1049","C1CC(CN2CCOC3(CCNCC3)CC2)CCN1","[R1]N1CCC(CC1)CN2CCC3(CCN(CC3)[R2])OCC2","267.417","267.231062548","0.51","19","3","4","2","2","36.53","C15H29N3O","InChI=1S/C15H29N3O/c1-6-16-7-2-14(1)13-18-10-5-15(19-12-11-18)3-8-17-9-4-15/h14,16-17H,1-13H2","BFCQBZFXQYTGJH-UHFFFAOYSA-N"
"1050","C1CC(CCN2CCOC3(CCNCC3)CC2)CCN1","[R1]N1CCC(CC1)CCN2CCC3(CCN(CC3)[R2])OCC2","281.444","281.246712612","0.86","20","3","4","2","3","36.53","C16H31N3O","InChI=1S/C16H31N3O/c1-7-17-8-2-15(1)3-11-19-12-6-16(20-14-13-19)4-9-18-10-5-16/h15,17-18H,1-14H2","YMEPHYOPKJJPFD-UHFFFAOYSA-N"
"1051","C1CC2(CCN1)CC(CN1CC3(CCNCC3)C1)C2","[R1]N1CCC2(CC1)CC(C2)CN3CC4(C3)CCN(CC4)[R2]","263.429","263.236147928","1.13","19","4","3","2","2","27.3","C16H29N3","InChI=1S/C16H29N3/c1-5-17-6-2-15(1)9-14(10-15)11-19-12-16(13-19)3-7-18-8-4-16/h14,17-18H,1-13H2","KMDFIPVKOHKDMJ-UHFFFAOYSA-N"
"1052","C1CC(CN2CCNCC2)CCN1","[R1]N1CCC(CC1)CN2CCN(CC2)[R2]","183.299","183.173547672","-0.08","13","2","3","2","2","27.3","C10H21N3","InChI=1S/C10H21N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h10-12H,1-9H2","INUYEZQAQSEPMT-UHFFFAOYSA-N"
"1053","OC1CCC2(CC1)CCN(CC1CCNCC1)CC2","[R1]OC1CCC2(CC1)CCN(CC2)CC3CCN(CC3)[R2]","266.429","266.23581358","1.77","19","3","3","2","2","35.5","C16H30N2O","InChI=1S/C16H30N2O/c19-15-1-5-16(6-2-15)7-11-18(12-8-16)13-14-3-9-17-10-4-14/h14-15,17,19H,1-13H2","WBRXCBGYGQLNQG-UHFFFAOYSA-N"
"1054","CCOC1=CC=C(CC)C=C1","[R1]CCOC1=CC=C(C=C1)CC[R2]","150.221","150.104465068","3.06","11","1","1","0","3","9.23","C10H14O","InChI=1S/C10H14O/c1-3-9-5-7-10(8-6-9)11-4-2/h5-8H,3-4H2,1-2H3","BQBROHBMIBOPFU-UHFFFAOYSA-N"
"1055","CCCOC1=CC=C(C)C=C1","[R1]CC1=CC=C(C=C1)OCCC[R2]","150.221","150.104465068","3.15","11","1","1","0","3","9.23","C10H14O","InChI=1S/C10H14O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3","QLTKVDKXTKKJOX-UHFFFAOYSA-N"
"1056","CCCC1=CC=C(C)C=C1","[R1]CC1=CC=C(C=C1)CCC[R2]","134.222","134.109550448","3.63","10","1","0","0","2","0","C10H14","InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3","JXFVMNFKABWTHD-UHFFFAOYSA-N"
"1057","CCC1=CC=C(C)C(F)=C1","[R1]CC1=C(C=C(C=C1)CC[R2])F","138.185","138.084478572","3.18","10","1","0","0","1","0","C9H11F","InChI=1S/C9H11F/c1-3-8-5-4-7(2)9(10)6-8/h4-6H,3H2,1-2H3","DYKMICWOBLSRIW-UHFFFAOYSA-N"
"1058","NCCCNC(=O)CCCCCCNC(=O)CO","[R1]NCCCNC(=O)CCCCCCNC(=O)CO[R2]","259.35","259.18959166","-0.83","18","0","4","4","11","104.45","C12H25N3O3","InChI=1S/C12H25N3O3/c13-7-5-9-14-11(17)6-3-1-2-4-8-15-12(18)10-16/h16H,1-10,13H2,(H,14,17)(H,15,18)","GXRUEVSAWFUYNL-UHFFFAOYSA-N"
"1059","CCCCCCCC(=O)NCCCN","[R1]NCCCNC(=O)CCCCCCC[R2]","200.326","200.188863388","1.95","14","0","2","2","9","55.12","C11H24N2O","InChI=1S/C11H24N2O/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-10,12H2,1H3,(H,13,14)","AZGZCTUTODQNFW-UHFFFAOYSA-N"
"1060","CCCCCCCNC(=O)CO","[R1]CCCCCCCNC(=O)CO[R2]","173.256","173.141578848","1.76","12","0","2","2","7","49.33","C9H19NO2","InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-10-9(12)8-11/h11H,2-8H2,1H3,(H,10,12)","BPFGOQULJGPNTD-UHFFFAOYSA-N"
"1061","OCCCCCN1C=C(CN2CCNCC2)N=N1","[R1]N1CCN(CC1)CC2=CN(N=N2)CCCCCO[R2]","253.35","253.190260356","-0.77","18","2","6","2","7","66.21","C12H23N5O","InChI=1S/C12H23N5O/c18-9-3-1-2-6-17-11-12(14-15-17)10-16-7-4-13-5-8-16/h11,13,18H,1-10H2","MTIMZAHMBOLSHZ-UHFFFAOYSA-N"
"1062","OCCN1CCNCC1","[R1]N1CCN(CC1)CCO[R2]","130.191","130.110613068","-1.08","9","1","3","2","2","35.5","C6H14N2O","InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2","WFCSWCVEJLETKA-UHFFFAOYSA-N"
"1063","OCCCN1CCNCC1","[R1]N1CCN(CC1)CCCO[R2]","144.218","144.126263132","-0.72","10","1","3","2","3","35.5","C7H16N2O","InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2","LWEOFVINMVZGAS-UHFFFAOYSA-N"
"1064","OCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCO[R2]","186.299","186.173213324","0.35","13","1","3","2","6","35.5","C10H22N2O","InChI=1S/C10H22N2O/c13-10-4-2-1-3-7-12-8-5-11-6-9-12/h11,13H,1-10H2","RMIIQABTVWHYKA-UHFFFAOYSA-N"
"1065","CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCC[R2]","142.246","142.146998576","0.86","10","1","2","1","3","15.27","C8H18N2","InChI=1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3","YKSVXVKIYYQWBB-UHFFFAOYSA-N"
"1066","CCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC[R2]","156.273","156.16264864","1.4","11","1","2","1","4","15.27","C9H20N2","InChI=1S/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3","MJWWNBHUIIRNDZ-UHFFFAOYSA-N"
"1067","CCCCCN1C=C(CN2CCNCC2)N=N1","[R1]N1CCN(CC1)CC2=CN(N=N2)CCCCC[R2]","237.351","237.195345736","0.63","17","2","5","1","6","45.98","C12H23N5","InChI=1S/C12H23N5/c1-2-3-4-7-17-11-12(14-15-17)10-16-8-5-13-6-9-16/h11,13H,2-10H2,1H3","SPLUTQOUWLEIRU-UHFFFAOYSA-N"
"1068","CCOCCNC(=O)CCOCCOCC","[R1]CCOCCNC(=O)CCOCCOCC[R2]","233.308","233.162708216","-0.23","16","0","4","1","11","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-3-14-8-6-12-11(13)5-7-16-10-9-15-4-2/h3-10H2,1-2H3,(H,12,13)","RRHXXGGYPBLUBP-UHFFFAOYSA-N"
"1069","CCCN1CCN(CCNC(=O)CCOCCOCC)CC1","[R1]CCCN1CCN(CC1)CCNC(=O)CCOCCOCC[R2]","315.458","315.252191916","0.29","22","1","5","1","12","54.04","C16H33N3O3","InChI=1S/C16H33N3O3/c1-3-7-18-9-11-19(12-10-18)8-6-17-16(20)5-13-22-15-14-21-4-2/h3-15H2,1-2H3,(H,17,20)","FVQKRLOBYKWDEY-UHFFFAOYSA-N"
"1070","O=CNCCCCCCCCNC(=O)CO","[R1]C(=O)NCCCCCCCCNC(=O)CO[R2]","230.308","230.163042564","1.32","16","0","3","3","11","78.43","C11H22N2O3","InChI=1S/C11H22N2O3/c14-9-11(16)13-8-6-4-2-1-3-5-7-12-10-15/h10,14H,1-9H2,(H,12,15)(H,13,16)","MLFHWPIWTNJODL-UHFFFAOYSA-N"
"1071","CCOCCOCCOCCOCCC(=O)NC1=CC=CC(C)=C1","[R1]CC1=CC(=CC=C1)NC(=O)CCOCCOCCOCCOCC[R2]","339.432","339.204573028","1.17","24","1","5","1","14","66.02","C18H29NO5","InChI=1S/C18H29NO5/c1-3-21-9-10-23-13-14-24-12-11-22-8-7-18(20)19-17-6-4-5-16(2)15-17/h4-6,15H,3,7-14H2,1-2H3,(H,19,20)","WRKJGBIKJXWNON-UHFFFAOYSA-N"
"1072","O=CCCCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCNC(=O)CO[R2]","201.266","201.136493468","0.48","14","0","3","2","9","66.4","C10H19NO3","InChI=1S/C10H19NO3/c12-8-6-4-2-1-3-5-7-11-10(14)9-13/h8,13H,1-7,9H2,(H,11,14)","WIQGTRQGYZGWML-UHFFFAOYSA-N"
"1073","CCCCO","[R1]OCCCC[R2]","74.123","74.07316494","0.79","5","0","1","1","2","20.23","C4H10O","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","LRHPLDYGYMQRHN-UHFFFAOYSA-N"
"1074","CCOCCOCCNC(=O)CN","[R1]CCOCCOCCNC(=O)CN[R2]","190.243","190.131742436","-1.3","13","0","4","2","8","73.58","C8H18N2O3","InChI=1S/C8H18N2O3/c1-2-12-5-6-13-4-3-10-8(11)7-9/h2-7,9H2,1H3,(H,10,11)","PHICTDCYZJZWBO-UHFFFAOYSA-N"
"1075","CC(=O)NCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCNC(=O)C[R2]","247.291","247.141972772","-1.47","17","0","5","1","12","73.86","C11H21NO5","InChI=1S/C11H21NO5/c1-11(14)12-3-6-16-8-10-17-9-7-15-5-2-4-13/h4H,2-3,5-10H2,1H3,(H,12,14)","SVZLKBWUDJMXGH-UHFFFAOYSA-N"
"1076","CCOCCNC(C)=O","[R1]CCOCCNC(=O)C[R2]","131.175","131.094628656","-0.24","9","0","2","1","4","38.33","C6H13NO2","InChI=1S/C6H13NO2/c1-3-9-5-4-7-6(2)8/h3-5H2,1-2H3,(H,7,8)","VNVZKKJQVMBZNN-UHFFFAOYSA-N"
"1077","CCCOCCOCCOCCNC(=O)CO","[R1]CCCOCCOCCOCCNC(=O)CO[R2]","249.307","249.157622836","-0.66","17","0","5","2","12","77.02","C11H23NO5","InChI=1S/C11H23NO5/c1-2-4-15-6-8-17-9-7-16-5-3-12-11(14)10-13/h13H,2-10H2,1H3,(H,12,14)","DXHOONGGAMPJPN-UHFFFAOYSA-N"
"1078","CCCNC(=O)CCCCCCNC(=O)CO","[R1]CCCNC(=O)CCCCCCNC(=O)CO[R2]","244.335","244.178692628","0.64","17","0","3","3","10","78.43","C12H24N2O3","InChI=1S/C12H24N2O3/c1-2-8-13-11(16)7-5-3-4-6-9-14-12(17)10-15/h15H,2-10H2,1H3,(H,13,16)(H,14,17)","WPFSARBSQPVWDD-UHFFFAOYSA-N"
"1079","O=CCCCCCCNC(=O)CO","[R1]C(=O)CCCCCCNC(=O)CO[R2]","187.239","187.120843404","-0.07","13","0","3","2","8","66.4","C9H17NO3","InChI=1S/C9H17NO3/c11-7-5-3-1-2-4-6-10-9(13)8-12/h7,12H,1-6,8H2,(H,10,13)","FBJRVOACVHVTEO-UHFFFAOYSA-N"
"1080","O=C(CO)NCCCCCCC(=O)NCCO","[R1]OCCNC(=O)CCCCCCNC(=O)CO[R2]","246.307","246.157957184","-0.94","17","0","4","4","10","98.66","C11H22N2O4","InChI=1S/C11H22N2O4/c14-8-7-13-10(16)5-3-1-2-4-6-12-11(17)9-15/h14-15H,1-9H2,(H,12,17)(H,13,16)","CDVOMNZSLUETHP-UHFFFAOYSA-N"
"1081","CCOCCOCCOCCNC(=O)CN","[R1]CCOCCOCCOCCNC(=O)CN[R2]","234.296","234.157957184","-1.45","16","0","5","2","11","82.81","C10H22N2O4","InChI=1S/C10H22N2O4/c1-2-14-5-6-16-8-7-15-4-3-12-10(13)9-11/h2-9,11H2,1H3,(H,12,13)","DCKAJMRUSXPRRX-UHFFFAOYSA-N"
"1082","CCOCCNC(=O)CN","[R1]CCOCCNC(=O)CN[R2]","146.19","146.105527688","-1.15","10","0","3","2","5","64.35","C6H14N2O2","InChI=1S/C6H14N2O2/c1-2-10-4-3-8-6(9)5-7/h2-5,7H2,1H3,(H,8,9)","JRKNJYMVYPWZND-UHFFFAOYSA-N"
"1083","CCOCCOCCC(N)=O","[R1]NC(=O)CCOCCOCC[R2]","161.201","161.10519334","-0.86","11","0","3","1","7","61.55","C7H15NO3","InChI=1S/C7H15NO3/c1-2-10-5-6-11-4-3-7(8)9/h2-6H2,1H3,(H2,8,9)","KMFYAANKBFXERF-UHFFFAOYSA-N"
"1084","CCOCCOCCOCCOCCC(N)=O","[R1]NC(=O)CCOCCOCCOCCOCC[R2]","249.307","249.157622836","-1.15","17","0","5","1","13","80.01","C11H23NO5","InChI=1S/C11H23NO5/c1-2-14-5-6-16-9-10-17-8-7-15-4-3-11(12)13/h2-10H2,1H3,(H2,12,13)","FZZPLPGZROHDIE-UHFFFAOYSA-N"
"1085","CC(N)=O","[R1]NC(=O)C[R2]","59.068","59.03711378","-0.86","4","0","1","1","0","43.09","C2H5NO","InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","DLFVBJFMPXGRIB-UHFFFAOYSA-N"
"1086","CCCC(N)=O","[R1]NC(=O)CCC[R2]","87.122","87.068413908","-0.03","6","0","1","1","2","43.09","C4H9NO","InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","DNSISZSEWVHGLH-UHFFFAOYSA-N"
"1087","CCCCCC(N)=O","[R1]NC(=O)CCCCC[R2]","115.176","115.099714036","1.05","8","0","1","1","4","43.09","C6H13NO","InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)","ALBYIUDWACNRRB-UHFFFAOYSA-N"
"1088","C#CCCCCCCC","[R1]CCCCCCCC#C[R2]","124.227","124.125200512","4.05","9","0","0","0","5","0","C9H16","InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3","OSSQSXOTMIGBCF-UHFFFAOYSA-N"
"1089","CCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCC[R2]","173.212","173.10519334","-0.87","12","0","3","1","7","55.4","C8H15NO3","InChI=1S/C8H15NO3/c1-2-12-7-5-9-8(11)4-3-6-10/h6H,2-5,7H2,1H3,(H,9,11)","HQNNHAYYQCEVPP-UHFFFAOYSA-N"
"1090","CCOCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCOCC[R2]","217.265","217.131408088","-1.02","15","0","4","1","10","64.63","C10H19NO4","InChI=1S/C10H19NO4/c1-2-14-8-9-15-7-5-11-10(13)4-3-6-12/h6H,2-5,7-9H2,1H3,(H,11,13)","KDAIXUIQPNUHIR-UHFFFAOYSA-N"
"1091","NCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCN[R2]","188.227","188.116092372","-2.18","13","0","4","2","8","81.42","C8H16N2O3","InChI=1S/C8H16N2O3/c9-3-6-13-7-4-10-8(12)2-1-5-11/h5H,1-4,6-7,9H2,(H,10,12)","VEEHVJQSYMNZHW-UHFFFAOYSA-N"
"1092","NCCOCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCOCCN[R2]","232.28","232.14230712","-2.33","16","0","5","2","11","90.65","C10H20N2O4","InChI=1S/C10H20N2O4/c11-3-6-15-8-9-16-7-4-12-10(14)2-1-5-13/h5H,1-4,6-9,11H2,(H,12,14)","KROVULALCQJERG-UHFFFAOYSA-N"
"1093","NCCOCCOCCOCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCOCCOCCOCCN[R2]","276.333","276.168521868","-2.48","19","0","6","2","14","99.88","C12H24N2O5","InChI=1S/C12H24N2O5/c13-3-6-17-8-10-19-11-9-18-7-4-14-12(16)2-1-5-15/h5H,1-4,6-11,13H2,(H,14,16)","DPXRNKZXXHGWBJ-UHFFFAOYSA-N"
"1094","NCCCOCCOCCOCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCOCCOCCOCCCN[R2]","304.387","304.199821996","-1.76","21","0","6","2","16","99.88","C14H28N2O5","InChI=1S/C14H28N2O5/c15-5-2-8-19-10-12-21-13-11-20-9-3-6-16-14(18)4-1-7-17/h7H,1-6,8-13,15H2,(H,16,18)","RKNUFOYHPXSCQV-UHFFFAOYSA-N"
"1095","CCCCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCCCC[R2]","213.321","213.172878976","2.33","15","0","2","1","10","46.17","C12H23NO2","InChI=1S/C12H23NO2/c1-2-3-4-5-6-7-10-13-12(15)9-8-11-14/h11H,2-10H2,1H3,(H,13,15)","DBDJJJHMJGHNTO-UHFFFAOYSA-N"
"1096","CCCCCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCCCCC[R2]","227.348","227.18852904","2.87","16","0","2","1","11","46.17","C13H25NO2","InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-11-14-13(16)10-9-12-15/h12H,2-11H2,1H3,(H,14,16)","JFOFEDMCDUEZAL-UHFFFAOYSA-N"
"1097","CCCCCCCCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCCCCCCCC[R2]","269.429","269.235479232","4.49","19","0","2","1","14","46.17","C16H31NO2","InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(19)13-12-15-18/h15H,2-14H2,1H3,(H,17,19)","AYKSXGYVGBZFIU-UHFFFAOYSA-N"
"1098","CCCCCCCCCCCCCNC(=O)CCC=O","[R1]C(=O)CCC(=O)NCCCCCCCCCCCCC[R2]","283.456","283.251129296","5.03","20","0","2","1","15","46.17","C17H33NO2","InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-17(20)14-13-16-19/h16H,2-15H2,1H3,(H,18,20)","RUQGAESQCNEDIH-UHFFFAOYSA-N"
"1099","CCCOCCOCCOCCCNC(=O)CO","[R1]OCC(=O)NCCCOCCOCCOCCC[R2]","263.334","263.1732729","-0.3","18","0","5","2","13","77.02","C12H25NO5","InChI=1S/C12H25NO5/c1-2-5-16-7-9-18-10-8-17-6-3-4-13-12(15)11-14/h14H,2-11H2,1H3,(H,13,15)","BBDDYLXZIGBXQL-UHFFFAOYSA-N"
"1100","CCC=O","[R1]CCC(=O)[R2]","58.08","58.041864812","0.2","4","0","1","0","1","17.07","C3H6O","InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","NBBJYMSMWIIQGU-UHFFFAOYSA-N"
"1101","CCCC=O","[R1]CCCC(=O)[R2]","72.107","72.057514876","0.55","5","0","1","0","2","17.07","C4H8O","InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","ZTQSAGDEMFDKMZ-UHFFFAOYSA-N"
"1102","CCOCCNC=O","[R1]C(=O)NCCOCC[R2]","117.148","117.078978592","0.36","8","0","2","1","5","38.33","C5H11NO2","InChI=1S/C5H11NO2/c1-2-8-4-3-6-5-7/h5H,2-4H2,1H3,(H,6,7)","FRLCQIRNLBDGNF-UHFFFAOYSA-N"
"1103","CCOCCOCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOCCOCC[R2]","293.36","293.183837584","-0.23","20","0","6","1","17","75.25","C13H27NO6","InChI=1S/C13H27NO6/c1-2-16-5-6-18-9-10-20-12-11-19-8-7-17-4-3-14-13-15/h13H,2-12H2,1H3,(H,14,15)","BCTAJPMTXBNWSL-UHFFFAOYSA-N"
"1104","CCOCCOCCOCCOCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOCCOCCOCCOCC[R2]","381.466","381.23626708","-0.52","26","0","8","1","23","93.71","C17H35NO8","InChI=1S/C17H35NO8/c1-2-20-5-6-22-9-10-24-13-14-26-16-15-25-12-11-23-8-7-21-4-3-18-17-19/h17H,2-16H2,1H3,(H,18,19)","CLZZSWNZUZZVQP-UHFFFAOYSA-N"
"1105","CC1=CC=C(CNC=O)C=C1","[R1]C(=O)NCC1=CC=C(C=C1)C[R2]","149.193","149.084063972","2","11","1","1","1","3","29.1","C9H11NO","InChI=1S/C9H11NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11)","YCDUEKOIMBQNQF-UHFFFAOYSA-N"
"1106","NCCOCCNC=O","[R1]C(=O)NCCOCCN[R2]","132.163","132.089877624","-0.95","9","0","3","2","6","64.35","C5H12N2O2","InChI=1S/C5H12N2O2/c6-1-3-9-4-2-7-5-8/h5H,1-4,6H2,(H,7,8)","QWWWNGYUAGEDFS-UHFFFAOYSA-N"
"1107","NCCOCCOCCOCCOCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOCCOCCOCCOCCN[R2]","396.481","396.247166112","-1.83","27","0","9","2","24","119.73","C17H36N2O8","InChI=1S/C17H36N2O8/c18-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-17-20/h17H,1-16,18H2,(H,19,20)","FGBFVVCIAQEWJB-UHFFFAOYSA-N"
"1108","NCC1=CC=C(CNC=O)C=C1","[R1]C(=O)NCC1=CC=C(C=C1)CN[R2]","164.208","164.094963004","0.49","12","1","2","2","4","55.12","C9H12N2O","InChI=1S/C9H12N2O/c10-5-8-1-3-9(4-2-8)6-11-7-12/h1-4,7H,5-6,10H2,(H,11,12)","HMEOQDVNYCLQFR-UHFFFAOYSA-N"
"1109","CCOCCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCCOCC[R2]","310.387","310.1991533","-0.98","21","0","7","1","18","75.61","C14H30O7","InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3","UKXKPKBTMYNOFS-UHFFFAOYSA-N"
"1110","CCOCCOCCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCCOCCOCC[R2]","354.44","354.225368048","-1.12","24","0","8","1","21","84.84","C16H34O8","InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3","PJWQOENWHPEPKI-UHFFFAOYSA-N"
"1111","CCN1CCNCC1","[R1]N1CCN(CC1)CC[R2]","114.192","114.115698448","-0.03","8","1","2","1","1","15.27","C6H14N2","InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3","WGCYRFWNGRMRJA-UHFFFAOYSA-N"
"1112","CCCN1CCNCC1","[R1]N1CCN(CC1)CCC[R2]","128.219","128.131348512","0.5","9","1","2","1","2","15.27","C7H16N2","InChI=1S/C7H16N2/c1-2-5-9-6-3-8-4-7-9/h8H,2-7H2,1H3","QLEIDMAURCRVCX-UHFFFAOYSA-N"
"1113","C1CN(C2CNC2)CCN1","[R1]N1CCN(CC1)C2CN(C2)[R2]","141.218","141.12659748","-0.98","10","2","3","2","1","27.3","C7H15N3","InChI=1S/C7H15N3/c1-3-10(4-2-8-1)7-5-9-6-7/h7-9H,1-6H2","YOFQVUAASHWECH-UHFFFAOYSA-N"
"1114","C1CN(CC2CNC2)CCN1","[R1]N1CCN(CC1)CC2CN(C2)[R2]","155.245","155.142247544","-0.32","11","2","3","2","2","27.3","C8H17N3","InChI=1S/C8H17N3/c1-3-11(4-2-9-1)7-8-5-10-6-8/h8-10H,1-7H2","POYSZJGSBCKKHD-UHFFFAOYSA-N"
"1115","C1CC(N2CCNCC2)CCN1","[R1]N1CCN(CC1)C2CCN(CC2)[R2]","169.272","169.157897608","-0.27","12","2","3","2","1","27.3","C9H19N3","InChI=1S/C9H19N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h9-11H,1-8H2","ZHYYBDZASCMDMP-UHFFFAOYSA-N"
"1116","C1CC(CN2CCNCC2)CCN1","[R1]N1CCN(CC1)CC2CCN(CC2)[R2]","183.299","183.173547672","-0.08","13","2","3","2","2","27.3","C10H21N3","InChI=1S/C10H21N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h10-12H,1-9H2","INUYEZQAQSEPMT-UHFFFAOYSA-N"
"1117","O=CN1CCN(C2CNC2)CC1","[R1]C(=O)N1CCN(CC1)C2CN(C2)[R2]","169.228","169.1215121","-0.5","12","2","3","1","2","35.58","C8H15N3O","InChI=1S/C8H15N3O/c12-7-10-1-3-11(4-2-10)8-5-9-6-8/h7-9H,1-6H2","PAUCQDUDVXCKMY-UHFFFAOYSA-N"
"1118","O=CN1CCN(CC2CNC2)CC1","[R1]C(=O)N1CCN(CC1)CC2CN(C2)[R2]","183.255","183.137162164","-0.31","13","2","3","1","3","35.58","C9H17N3O","InChI=1S/C9H17N3O/c13-8-12-3-1-11(2-4-12)7-9-5-10-6-9/h8-10H,1-7H2","SSXCJUQMHLEMBA-UHFFFAOYSA-N"
"1119","O=CN1CCN(C2CCNCC2)CC1","[R1]C(=O)N1CCN(CC1)C2CCN(CC2)[R2]","197.282","197.152812228","0.22","14","2","3","1","2","35.58","C10H19N3O","InChI=1S/C10H19N3O/c14-9-12-5-7-13(8-6-12)10-1-3-11-4-2-10/h9-11H,1-8H2","CEWAMUGCONQRIM-UHFFFAOYSA-N"
"1120","O=CN1CCN(CC2CCNCC2)CC1","[R1]C(=O)N1CCN(CC1)CC2CCN(CC2)[R2]","211.309","211.168462292","0.41","15","2","3","1","3","35.58","C11H21N3O","InChI=1S/C11H21N3O/c15-10-14-7-5-13(6-8-14)9-11-1-3-12-4-2-11/h10-12H,1-9H2","VZRNXIFWKOQQHE-UHFFFAOYSA-N"
"1121","C1CC(N2CCNCC2)CCN1","[R1]N1CCC(CC1)N2CCN(CC2)[R2]","169.272","169.157897608","-0.27","12","2","3","2","1","27.3","C9H19N3","InChI=1S/C9H19N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h9-11H,1-8H2","ZHYYBDZASCMDMP-UHFFFAOYSA-N"
"1122","C1CN(C2CC3(CNC3)C2)CCN1","[R1]N1CCN(CC1)C2CC3(C2)CN(C3)[R2]","181.283","181.157897608","-0.38","13","3","3","2","1","27.3","C10H19N3","InChI=1S/C10H19N3/c1-3-13(4-2-11-1)9-5-10(6-9)7-12-8-10/h9,11-12H,1-8H2","SXLLQSCFEYHAID-UHFFFAOYSA-N"
"1123","C1CN(CC2CC3(CNC3)C2)CCN1","[R1]N1CCN(CC1)CC2CC3(C2)CN(C3)[R2]","195.31","195.173547672","-0.19","14","3","3","2","2","27.3","C11H21N3","InChI=1S/C11H21N3/c1-3-14(4-2-12-1)7-10-5-11(6-10)8-13-9-11/h10,12-13H,1-9H2","FVECTRXDFQITCL-UHFFFAOYSA-N"
"1124","C1CN(C2CC3(CCNC3)C2)CCN1","[R1]N1CCN(CC1)C2CC3(C2)CCN(C3)[R2]","195.31","195.173547672","-0.02","14","3","3","2","1","27.3","C11H21N3","InChI=1S/C11H21N3/c1-2-13-9-11(1)7-10(8-11)14-5-3-12-4-6-14/h10,12-13H,1-9H2","COZLEXIDIARMLD-UHFFFAOYSA-N"
"1125","C1CN(CC2CC3(CCNC3)C2)CCN1","[R1]N1CCN(CC1)CC2CC3(C2)CCN(C3)[R2]","209.337","209.189197736","0.17","15","3","3","2","2","27.3","C12H23N3","InChI=1S/C12H23N3/c1-2-14-10-12(1)7-11(8-12)9-15-5-3-13-4-6-15/h11,13-14H,1-10H2","BJQBFWXCZWMMBQ-UHFFFAOYSA-N"
"1126","C1CN(C2CCC3(CCNCC3)CC2)CCN1","[R1]N1CCN(CC1)C2CCC3(CC2)CCN(CC3)[R2]","237.391","237.220497864","1.05","17","3","3","2","1","27.3","C14H27N3","InChI=1S/C14H27N3/c1-3-14(5-7-15-8-6-14)4-2-13(1)17-11-9-16-10-12-17/h13,15-16H,1-12H2","BEUMRJIOBZNETB-UHFFFAOYSA-N"
"1127","C1CN(C2CCC3(CC2)CNC3)CCN1","[R1]N1CCN(CC1)C2CCC3(CC2)CN(C3)[R2]","209.337","209.189197736","0.34","15","3","3","2","1","27.3","C12H23N3","InChI=1S/C12H23N3/c1-3-12(9-14-10-12)4-2-11(1)15-7-5-13-6-8-15/h11,13-14H,1-10H2","WZLJSMLEHOSJAQ-UHFFFAOYSA-N"
"1128","C1CC2(C1)CCNCC2","[R1]N1CCC2(CC1)CC(C2)[R2]","125.215","125.12044948","1.8","9","2","1","1","0","12.03","C8H15N","InChI=1S/C8H15N/c1-2-8(3-1)4-6-9-7-5-8/h9H,1-7H2","BSQKGAVROUDOTE-UHFFFAOYSA-N"
"1129","C1CCC2(CC1)CCNCC2","[R1]N1CCC2(CCC(CC2)[R2])CC1","153.269","153.151749608","2.88","11","2","1","1","0","12.03","C10H19N","InChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2","LIZKZVQBLDHKCY-UHFFFAOYSA-N"
"1130","COCCCCCOCCN","[R1]NCCOCCCCCOC[R2]","161.245","161.141578848","0.06","11","0","3","1","8","44.48","C8H19NO2","InChI=1S/C8H19NO2/c1-10-6-3-2-4-7-11-8-5-9/h2-9H2,1H3","ISJVFOKTVLRBAA-UHFFFAOYSA-N"
"1131","COCCCCCOCCO","[R1]OCCOCCCCCOC[R2]","162.229","162.125594436","0.32","11","0","3","1","8","38.69","C8H18O3","InChI=1S/C8H18O3/c1-10-6-3-2-4-7-11-8-5-9/h9H,2-8H2,1H3","HIZGXXSKDYGGPV-UHFFFAOYSA-N"
"1132","CCCCCCOCC","[R1]CCCCCCOCC[R2]","130.231","130.135765196","2.78","9","0","1","0","6","9.23","C8H18O","InChI=1S/C8H18O/c1-3-5-6-7-8-9-4-2/h3-8H2,1-2H3","ZXHQLEQLZPJIFG-UHFFFAOYSA-N"
"1133","CCCCCCCCOCC","[R1]CCCCCCCCOCC[R2]","158.285","158.167065324","3.86","11","0","1","0","8","9.23","C10H22O","InChI=1S/C10H22O/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3","WJVJBXHEMGVIMM-UHFFFAOYSA-N"
"1134","C#CCCCCCC=O","[R1]C(=O)CCCCCC#C[R2]","124.183","124.088815004","1.68","9","0","1","0","5","17.07","C8H12O","InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h1,8H,3-7H2","OEPKOGKYPMWNSI-UHFFFAOYSA-N"
"1135","C#CCCCCCCCC=O","[R1]C(=O)CCCCCCCC#C[R2]","152.237","152.120115132","2.76","11","0","1","0","7","17.07","C10H16O","InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h1,10H,3-9H2","NLWWQVPUYZRMKI-UHFFFAOYSA-N"
"1136","C#CCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCC#C[R2]","180.291","180.15141526","3.84","13","0","1","0","9","17.07","C12H20O","InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h1,12H,3-11H2","TUZQWBWNQPYHKL-UHFFFAOYSA-N"
"1137","CCOCCOCCOCCOCC(N)=O","[R1]CCOCCOCCOCCOCC(=O)N[R2]","235.28","235.141972772","-1.05","16","0","5","1","12","80.01","C10H21NO5","InChI=1S/C10H21NO5/c1-2-13-3-4-14-5-6-15-7-8-16-9-10(11)12/h2-9H2,1H3,(H2,11,12)","HORIVGWLKLJAPF-UHFFFAOYSA-N"
"1138","CC1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]CC1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2]","205.261","205.1215121","1.4","15","2","4","0","2","46.09","C11H15N3O","InChI=1S/C11H15N3O/c1-9-2-4-14(5-3-9)11-12-6-10(8-15)7-13-11/h6-9H,2-5H2,1H3","SGSCOVAWDUORNP-UHFFFAOYSA-N"
"1139","CCC1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]CCC1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2]","219.288","219.137162164","1.94","16","2","4","0","3","46.09","C12H17N3O","InChI=1S/C12H17N3O/c1-2-10-3-5-15(6-4-10)12-13-7-11(9-16)8-14-12/h7-10H,2-6H2,1H3","RQFQTAHIGRMTRI-UHFFFAOYSA-N"
"1140","CCCC1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]CCCC1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2]","233.315","233.152812228","2.49","17","2","4","0","4","46.09","C13H19N3O","InChI=1S/C13H19N3O/c1-2-3-11-4-6-16(7-5-11)13-14-8-12(10-17)9-15-13/h8-11H,2-7H2,1H3","ITIMFVJRMVPZBL-UHFFFAOYSA-N"
"1141","CCCN1CCN(C2=NC=C(C=O)C=N2)CC1","[R1]CCCN1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2]","234.303","234.148061196","0.83","17","2","5","0","4","49.33","C12H18N4O","InChI=1S/C12H18N4O/c1-2-3-15-4-6-16(7-5-15)12-13-8-11(10-17)9-14-12/h8-10H,2-7H2,1H3","KXRMMGIROWBXFF-UHFFFAOYSA-N"
"1142","CCCN1CCN(C2=CC=C(C=O)C=C2)CC1","[R1]CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)[R2]","232.327","232.15756326","2.21","17","2","3","0","4","23.55","C14H20N2O","InChI=1S/C14H20N2O/c1-2-7-15-8-10-16(11-9-15)14-5-3-13(12-17)4-6-14/h3-6,12H,2,7-11H2,1H3","PWAYCDIFWBVFBX-UHFFFAOYSA-N"
"1143","CCN1CCN(C2=CC=C(C=O)C=N2)CC1","[R1]CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)[R2]","219.288","219.137162164","0.95","16","2","4","0","3","36.44","C12H17N3O","InChI=1S/C12H17N3O/c1-2-14-5-7-15(8-6-14)12-4-3-11(10-16)9-13-12/h3-4,9-10H,2,5-8H2,1H3","FLZUBYBFDYGLHX-UHFFFAOYSA-N"
"1144","CCCN1CCN(C2=CC=C(C=O)C=N2)CC1","[R1]CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)[R2]","233.315","233.152812228","1.48","17","2","4","0","4","36.44","C13H19N3O","InChI=1S/C13H19N3O/c1-2-5-15-6-8-16(9-7-15)13-4-3-12(11-17)10-14-13/h3-4,10-11H,2,5-9H2,1H3","LREAQTVZINBEKJ-UHFFFAOYSA-N"
"1145","CCN1CCN(C2=CN=C(C=O)C=N2)CC1","[R1]CCN1CCN(CC1)C2=NC=C(N=C2)C(=O)[R2]","220.276","220.132411132","0.21","16","2","5","0","3","49.33","C11H16N4O","InChI=1S/C11H16N4O/c1-2-14-3-5-15(6-4-14)11-8-12-10(9-16)7-13-11/h7-9H,2-6H2,1H3","BUISCTZMKKXUGI-UHFFFAOYSA-N"
"1146","CCCN1CCN(C2=CN=C(C(N)=O)C=N2)CC1","[R1]CCCN1CCN(CC1)C2=NC=C(N=C2)C(=O)N[R2]","249.318","249.158960228","0.15","18","2","5","1","4","75.35","C12H19N5O","InChI=1S/C12H19N5O/c1-2-3-16-4-6-17(7-5-16)11-9-14-10(8-15-11)12(13)18/h8-9H,2-7H2,1H3,(H2,13,18)","NFCPODJQJJJEGA-UHFFFAOYSA-N"
"1147","CCCN1CCN(C2=CN=CC=N2)CC1","[R1]CCCN1CCN(CC1)C2=NC=C(N=C2)[R2]","206.293","206.153146576","0.94","15","2","4","0","3","32.26","C11H18N4","InChI=1S/C11H18N4/c1-2-5-14-6-8-15(9-7-14)11-10-12-3-4-13-11/h3-4,10H,2,5-9H2,1H3","DKVFJXQBBFNJGN-UHFFFAOYSA-N"
"1148","CCCN1CCN(C(=O)C2=CN=CN=C2)CC1","[R1]CCCN1CCN(CC1)C(=O)C2=CN=C(N=C2)[R2]","234.303","234.148061196","0.37","17","2","4","0","3","49.33","C12H18N4O","InChI=1S/C12H18N4O/c1-2-3-15-4-6-16(7-5-15)12(17)11-8-13-10-14-9-11/h8-10H,2-7H2,1H3","HKGHQPBVMQLQKA-UHFFFAOYSA-N"
"1149","CCCCCCCCC(=O)NC","[R1]CNC(=O)CCCCCCCC[R2]","171.284","171.162314292","3.08","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(12)11-2/h3-9H2,1-2H3,(H,11,12)","DWWMMANVIWQXLM-UHFFFAOYSA-N"
"1150","CCCCCCCCCC(=O)NC","[R1]CNC(=O)CCCCCCCCC[R2]","185.311","185.177964356","3.62","13","0","1","1","8","29.1","C11H23NO","InChI=1S/C11H23NO/c1-3-4-5-6-7-8-9-10-11(13)12-2/h3-10H2,1-2H3,(H,12,13)","OJNCCSNXHKTDGS-UHFFFAOYSA-N"
"1151","CCCCCCCCCCC(=O)NC","[R1]CNC(=O)CCCCCCCCCC[R2]","199.338","199.19361442","4.16","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-11-12(14)13-2/h3-11H2,1-2H3,(H,13,14)","MUZVJRFZJAXVBM-UHFFFAOYSA-N"
"1152","CCCCCCCCCCCC(=O)NC","[R1]CNC(=O)CCCCCCCCCCC[R2]","213.365","213.209264484","4.7","15","0","1","1","10","29.1","C13H27NO","InChI=1S/C13H27NO/c1-3-4-5-6-7-8-9-10-11-12-13(15)14-2/h3-12H2,1-2H3,(H,14,15)","APWSJINSLHHRPD-UHFFFAOYSA-N"
"1153","CC1=CN(CCCCCCCCC=O)N=N1","[R1]CC1=CN(N=N1)CCCCCCCCC(=O)[R2]","223.32","223.168462292","2.15","16","1","4","0","9","47.78","C12H21N3O","InChI=1S/C12H21N3O/c1-12-11-15(14-13-12)9-7-5-3-2-4-6-8-10-16/h10-11H,2-9H2,1H3","GDEPQUGWOZATSC-UHFFFAOYSA-N"
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"1159","CCCCCCCCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCCCCCCCC[R2]","209.337","209.189197736","3.98","15","1","3","0","8","30.71","C12H23N3","InChI=1S/C12H23N3/c1-3-4-5-6-7-8-9-10-15-11-12(2)13-14-15/h11H,3-10H2,1-2H3","MJZGAOOPWNXYSJ-UHFFFAOYSA-N"
"1160","CCCCCCCCCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCCCCCCCCC[R2]","223.364","223.2048478","4.52","16","1","3","0","9","30.71","C13H25N3","InChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-10-11-16-12-13(2)14-15-16/h12H,3-11H2,1-2H3","OGKDLUIQGXUWQA-UHFFFAOYSA-N"
"1161","COCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOC[R2]","185.227","185.11642672","-0.27","13","1","5","0","6","49.17","C8H15N3O2","InChI=1S/C8H15N3O2/c1-8-7-11(10-9-8)3-4-13-6-5-12-2/h7H,3-6H2,1-2H3","YGAWRRQZFQGZCQ-UHFFFAOYSA-N"
"1162","COCCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOC[R2]","317.386","317.195070964","-0.72","22","1","8","0","15","76.86","C14H27N3O5","InChI=1S/C14H27N3O5/c1-14-13-17(16-15-14)3-4-19-7-8-21-11-12-22-10-9-20-6-5-18-2/h13H,3-12H2,1-2H3","CGLHKWKITMCXIA-UHFFFAOYSA-N"
"1163","COCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOC[R2]","229.28","229.142641468","-0.42","16","1","6","0","9","58.4","C10H19N3O3","InChI=1S/C10H19N3O3/c1-10-9-13(12-11-10)3-4-15-7-8-16-6-5-14-2/h9H,3-8H2,1-2H3","BGDKNNCPTUBDNC-UHFFFAOYSA-N"
"1164","CCCCCC1=CN(CCOCCOC)N=N1","[R1]CCCCCC1=CN(N=N1)CCOCCOC[R2]","241.335","241.179026976","1.6","17","1","5","0","10","49.17","C12H23N3O2","InChI=1S/C12H23N3O2/c1-3-4-5-6-12-11-15(14-13-12)7-8-17-10-9-16-2/h11H,3-10H2,1-2H3","MHGXCJNTMUSCBZ-UHFFFAOYSA-N"
"1165","CCCCCCCCOC","[R1]CCCCCCCCOC[R2]","144.258","144.15141526","3.5","10","0","1","0","7","9.23","C9H20O","InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3","RIAWWRJHTAZJSU-UHFFFAOYSA-N"
"1166","CCCCCCCCOC","[R1]COCCCCCCCC[R2]","144.258","144.15141526","3.5","10","0","1","0","7","9.23","C9H20O","InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3","RIAWWRJHTAZJSU-UHFFFAOYSA-N"
"1167","COCCCCCCOC","[R1]COCCCCCCOC[R2]","146.23","146.130679816","1.36","10","0","2","0","7","18.46","C8H18O2","InChI=1S/C8H18O2/c1-9-7-5-3-4-6-8-10-2/h3-8H2,1-2H3","GZHQUHIMIVEQFV-UHFFFAOYSA-N"
"1168","COCCCCCCCCCOC","[R1]COCCCCCCCCCOC[R2]","188.311","188.177630008","2.98","13","0","2","0","10","18.46","C11H24O2","InChI=1S/C11H24O2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-11H2,1-2H3","GXGHXTUSAJHVBB-UHFFFAOYSA-N"
"1169","COCCOC","[R1]COCCOC[R2]","90.122","90.06807956","-0.07","6","0","2","0","3","18.46","C4H10O2","InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3","XTHFKEDIFFGKHM-UHFFFAOYSA-N"
"1170","COCCOCCOC","[R1]COCCOCCOC[R2]","134.175","134.094294308","-0.22","9","0","3","0","6","27.69","C6H14O3","InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3","SBZXBUIDTXKZTM-UHFFFAOYSA-N"
"1171","CCCN1CCN(CCC)CC1","[R1]CCCN1CCN(CC1)CCC[R2]","170.3","170.178298704","1.86","12","1","2","0","4","6.48","C10H22N2","InChI=1S/C10H22N2/c1-3-5-11-7-9-12(6-4-2)10-8-11/h3-10H2,1-2H3","IVMKBBDVVDYGPS-UHFFFAOYSA-N"
"1172","CCCCNC(=O)CCCC","[R1]CCCCC(=O)NCCCC[R2]","157.257","157.146664228","0.82","11","0","1","1","6","29.1","C9H19NO","InChI=1S/C9H19NO/c1-3-5-7-9(11)10-8-6-4-2/h3-8H2,1-2H3,(H,10,11)","PKOPLDUHARSIKV-UHFFFAOYSA-N"
"1173","CCCCCCCC(=O)NCCCC","[R1]CCCCCCCC(=O)NCCCC[R2]","199.338","199.19361442","3.79","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-5-7-8-9-10-12(14)13-11-6-4-2/h3-11H2,1-2H3,(H,13,14)","YWTVKALTZBSCHL-UHFFFAOYSA-N"
"1174","COCCCO","[R1]OCCCOC[R2]","90.122","90.06807956","-0.25","6","0","2","1","3","29.46","C4H10O2","InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","JDFDHBSESGTDAL-UHFFFAOYSA-N"
"1175","COCCOCCNC=O","[R1]C(=O)NCCOCCOC[R2]","147.174","147.089543276","-0.15","10","0","3","1","7","47.56","C6H13NO3","InChI=1S/C6H13NO3/c1-9-4-5-10-3-2-7-6-8/h6H,2-5H2,1H3,(H,7,8)","ZVDJTYLWNRBHED-UHFFFAOYSA-N"
"1176","NC(=O)CCCCCCNC(=O)CO","[R1]NC(=O)CCCCCCNC(=O)CO[R2]","202.254","202.131742436","-0.65","14","0","3","3","8","92.42","C9H18N2O3","InChI=1S/C9H18N2O3/c10-8(13)5-3-1-2-4-6-11-9(14)7-12/h12H,1-7H2,(H2,10,13)(H,11,14)","GHIQPAOURUMBDU-UHFFFAOYSA-N"
"1177","NC(=O)CCCCCCO","[R1]NC(=O)CCCCCCO[R2]","145.202","145.11027872","0","10","0","2","2","6","63.32","C7H15NO2","InChI=1S/C7H15NO2/c8-7(10)5-3-1-2-4-6-9/h9H,1-6H2,(H2,8,10)","FBOYCYMZFCPELD-UHFFFAOYSA-N"
"1178","NC(=O)CCCCCO","[R1]NC(=O)CCCCCO[R2]","131.175","131.094628656","-0.54","9","0","2","2","5","63.32","C6H13NO2","InChI=1S/C6H13NO2/c7-6(9)4-2-1-3-5-8/h8H,1-5H2,(H2,7,9)","DEYMOQSHMQAAFX-UHFFFAOYSA-N"
"1179","NC(=O)CCCCCCCO","[R1]NC(=O)CCCCCCCO[R2]","159.229","159.125928784","0.54","11","0","2","2","7","63.32","C8H17NO2","InChI=1S/C8H17NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,1-7H2,(H2,9,11)","HQLRUPGLUBOICI-UHFFFAOYSA-N"
"1180","NC(=O)CCCCCCCCO","[R1]NC(=O)CCCCCCCCO[R2]","173.256","173.141578848","1.09","12","0","2","2","8","63.32","C9H19NO2","InChI=1S/C9H19NO2/c10-9(12)7-5-3-1-2-4-6-8-11/h11H,1-8H2,(H2,10,12)","QNVXVUDRZIVEAO-UHFFFAOYSA-N"
"1181","NC(=O)COCCOCCO","[R1]NC(=O)COCCOCCO[R2]","163.173","163.084457896","-1.81","11","0","4","2","7","81.78","C6H13NO4","InChI=1S/C6H13NO4/c7-6(9)5-11-4-3-10-2-1-8/h8H,1-5H2,(H2,7,9)","FQIHGPNYNDYFGQ-UHFFFAOYSA-N"
"1182","CCCOCCOCCO","[R1]CCCOCCOCCO[R2]","148.202","148.109944372","0.14","10","0","3","1","7","38.69","C7H16O3","InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3","DJCYDDALXPHSHR-UHFFFAOYSA-N"
"1183","NC(=O)COCCOCCOCCO","[R1]NC(=O)COCCOCCOCCO[R2]","207.226","207.110672644","-1.96","14","0","5","2","10","91.01","C8H17NO5","InChI=1S/C8H17NO5/c9-8(11)7-14-6-5-13-4-3-12-2-1-10/h10H,1-7H2,(H2,9,11)","OOWORAQZXONIRK-UHFFFAOYSA-N"
"1184","NC(=O)CCCCCCCCCO","[R1]NC(=O)CCCCCCCCCO[R2]","187.283","187.157228912","1.63","13","0","2","2","9","63.32","C10H21NO2","InChI=1S/C10H21NO2/c11-10(13)8-6-4-2-1-3-5-7-9-12/h12H,1-9H2,(H2,11,13)","GBNNJFNJJXHOEV-UHFFFAOYSA-N"
"1185","CCCCCN1CCN(CCCCCC(N)=O)CC1","[R1]NC(=O)CCCCCN1CCN(CC1)CCCCC[R2]","269.433","269.246712612","1.79","19","1","3","1","10","49.57","C15H31N3O","InChI=1S/C15H31N3O/c1-2-3-6-9-17-11-13-18(14-12-17)10-7-4-5-8-15(16)19/h2-14H2,1H3,(H2,16,19)","IGMOGKBCAJWVAE-UHFFFAOYSA-N"
"1186","CCCCCN1CCN(CCCC(N)=O)CC1","[R1]NC(=O)CCCN1CCN(CC1)CCCCC[R2]","241.379","241.215412484","1.07","17","1","3","1","8","49.57","C13H27N3O","InChI=1S/C13H27N3O/c1-2-3-4-7-15-9-11-16(12-10-15)8-5-6-13(14)17/h2-12H2,1H3,(H2,14,17)","BFXGPOWQGADDNG-UHFFFAOYSA-N"
"1187","CCCN1CCN(CCCCCC(N)=O)CC1","[R1]NC(=O)CCCCCN1CCN(CC1)CCC[R2]","241.379","241.215412484","0.89","17","1","3","1","8","49.57","C13H27N3O","InChI=1S/C13H27N3O/c1-2-7-15-9-11-16(12-10-15)8-5-3-4-6-13(14)17/h2-12H2,1H3,(H2,14,17)","RLVZVHFDJQLPBI-UHFFFAOYSA-N"
"1188","CCCN1CCN(CCCC(N)=O)CC1","[R1]NC(=O)CCCN1CCN(CC1)CCC[R2]","213.325","213.184112356","0.17","15","1","3","1","6","49.57","C11H23N3O","InChI=1S/C11H23N3O/c1-2-5-13-7-9-14(10-8-13)6-3-4-11(12)15/h2-10H2,1H3,(H2,12,15)","TYWSAUKHJFSMCT-UHFFFAOYSA-N"
"1189","CCCCCN1CCN(C(N)=O)CC1","[R1]NC(=O)N1CCN(CC1)CCCCC[R2]","199.298","199.168462292","0.75","14","1","2","1","4","49.57","C10H21N3O","InChI=1S/C10H21N3O/c1-2-3-4-5-12-6-8-13(9-7-12)10(11)14/h2-9H2,1H3,(H2,11,14)","PKTFKLVGWCMVRV-UHFFFAOYSA-N"
"1190","CCCCCCCCCN","[R1]NCCCCCCCCC[R2]","143.274","143.167399672","3.24","10","0","1","1","7","26.02","C9H21N","InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3","FJDUDHYHRVPMJZ-UHFFFAOYSA-N"
"1191","CCCCCCCCCCN","[R1]NCCCCCCCCCC[R2]","157.301","157.183049736","3.79","11","0","1","1","8","26.02","C10H23N","InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3","MHZGKXUYDGKKIU-UHFFFAOYSA-N"
"1192","CCCCCCCCCCCN","[R1]NCCCCCCCCCCC[R2]","171.328","171.1986998","4.33","12","0","1","1","9","26.02","C11H25N","InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3","QFKMMXYLAPZKIB-UHFFFAOYSA-N"
"1193","C1CN(CC2CNC2)CCN1","[R1]N1CC(C1)CN2CCN(CC2)[R2]","155.245","155.142247544","-0.79","11","2","3","2","2","27.3","C8H17N3","InChI=1S/C8H17N3/c1-3-11(4-2-9-1)7-8-5-10-6-8/h8-10H,1-7H2","POYSZJGSBCKKHD-UHFFFAOYSA-N"
"1194","C1CN(C2CNC2)CCN1","[R1]N1CC(C1)N2CCN(CC2)[R2]","141.218","141.12659748","-0.98","10","2","3","2","1","27.3","C7H15N3","InChI=1S/C7H15N3/c1-3-10(4-2-8-1)7-5-9-6-7/h7-9H,1-6H2","YOFQVUAASHWECH-UHFFFAOYSA-N"
"1195","CN","[R1]NC[R2]","31.058","31.04219916","-0.71","2","0","1","1","0","26.02","CH5N","InChI=1S/CH5N/c1-2/h2H2,1H3","BAVYZALUXZFZLV-UHFFFAOYSA-N"
"1196","CCC(=O)NCCOC","[R1]CCC(=O)NCCOC[R2]","131.175","131.094628656","-0.14","9","0","2","1","4","38.33","C6H13NO2","InChI=1S/C6H13NO2/c1-3-6(8)7-4-5-9-2/h3-5H2,1-2H3,(H,7,8)","CVKMCTKUFWPCBY-UHFFFAOYSA-N"
"1197","CCCCCCCCCNC(=O)CC","[R1]CCC(=O)NCCCCCCCCC[R2]","199.338","199.19361442","3.97","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-5-6-7-8-9-10-11-13-12(14)4-2/h3-11H2,1-2H3,(H,13,14)","FPJVDQQLTKMMMF-UHFFFAOYSA-N"
"1198","CCCCCCCCCCNC(=O)CC","[R1]CCC(=O)NCCCCCCCCCC[R2]","213.365","213.209264484","4.51","15","0","1","1","10","29.1","C13H27NO","InChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-12-14-13(15)4-2/h3-12H2,1-2H3,(H,14,15)","OYIZIUPDFGVXNG-UHFFFAOYSA-N"
"1199","CCCCCCCCCCC(=O)NCC","[R1]CCNC(=O)CCCCCCCCCC[R2]","213.365","213.209264484","4.53","15","0","1","1","10","29.1","C13H27NO","InChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-12-13(15)14-4-2/h3-12H2,1-2H3,(H,14,15)","QFZHIMKZKRGXQF-UHFFFAOYSA-N"
"1200","CCCCCCCNC(=O)CC","[R1]CCC(=O)NCCCCCCC[R2]","171.284","171.162314292","2.89","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-5-6-7-8-9-11-10(12)4-2/h3-9H2,1-2H3,(H,11,12)","PLVPAQFBGGGMAW-UHFFFAOYSA-N"
"1201","CCCCCCCCC(=O)NCC","[R1]CCNC(=O)CCCCCCCC[R2]","185.311","185.177964356","3.44","13","0","1","1","8","29.1","C11H23NO","InChI=1S/C11H23NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h3-10H2,1-2H3,(H,12,13)","ACGGEROLCNXKHZ-UHFFFAOYSA-N"
"1202","CCCNCCCC(=O)NCCOC","[R1]CCCNCCCC(=O)NCCOC[R2]","202.298","202.168127944","0.15","14","0","3","2","9","50.36","C10H22N2O2","InChI=1S/C10H22N2O2/c1-3-6-11-7-4-5-10(13)12-8-9-14-2/h11H,3-9H2,1-2H3,(H,12,13)","NVMRZLLCIUNIPR-UHFFFAOYSA-N"
"1203","CCCNCCCC(=O)NCCOCC","[R1]CCCNCCCC(=O)NCCOCC[R2]","216.325","216.183778008","0.51","15","0","3","2","10","50.36","C11H24N2O2","InChI=1S/C11H24N2O2/c1-3-7-12-8-5-6-11(14)13-9-10-15-4-2/h12H,3-10H2,1-2H3,(H,13,14)","IHPZBZWJUHCJOV-UHFFFAOYSA-N"
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"1220","CCCC(=O)N(C)CCN(C)C","[R1]CN(C)CCN(C)C(=O)CCC[R2]","172.272","172.15756326","0.59","12","0","2","0","5","23.55","C9H20N2O","InChI=1S/C9H20N2O/c1-5-6-9(12)11(4)8-7-10(2)3/h5-8H2,1-4H3","LRUDVHZDBOAWPM-UHFFFAOYSA-N"
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"1223","CCCCCCCN(C)C","[R1]CN(C)CCCCCCC[R2]","143.274","143.167399672","3.14","10","0","1","0","6","3.24","C9H21N","InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3","LSICDRUYCNGRIF-UHFFFAOYSA-N"
"1224","CCCCCCCCCN(C)C","[R1]CN(C)CCCCCCCCC[R2]","171.328","171.1986998","4.22","12","0","1","0","8","3.24","C11H25N","InChI=1S/C11H25N/c1-4-5-6-7-8-9-10-11-12(2)3/h4-11H2,1-3H3","AMAADDMFZSZCNT-UHFFFAOYSA-N"
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"1244","CCS","[R1]CCS[R2]","62.137","62.019021192","0.88","3","0","1","1","0","0","C2H6S","InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3","DNJIEGIFACGWOD-UHFFFAOYSA-N"
"1245","C#CC","[R1]C#CC[R2]","40.065","40.031300128","0.91","3","0","0","0","0","0","C3H4","InChI=1S/C3H4/c1-3-2/h1H,2H3","MWWATHDPGQKSAR-UHFFFAOYSA-N"
"1246","C#CCC","[R1]C#CCC[R2]","54.092","54.046950192","1.34","4","0","0","0","0","0","C4H6","InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","KDKYADYSIPSCCQ-UHFFFAOYSA-N"
"1247","C#CCCC","[R1]C#CCCC[R2]","68.119","68.062600256","1.88","5","0","0","0","1","0","C5H8","InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","IBXNCJKFFQIKKY-UHFFFAOYSA-N"
"1248","C#CCCCC","[R1]C#CCCCC[R2]","82.146","82.07825032","2.42","6","0","0","0","2","0","C6H10","InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","CGHIBGNXEGJPQZ-UHFFFAOYSA-N"
"1249","C#CCOCC","[R1]C#CCOCC[R2]","84.118","84.057514876","0.56","6","0","1","0","2","9.23","C5H8O","InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","ADJMUEKUQLFLQP-UHFFFAOYSA-N"
"1250","C#CCOCCOCC","[R1]C#CCOCCOCC[R2]","128.171","128.083729624","0.41","9","0","2","0","5","18.46","C7H12O2","InChI=1S/C7H12O2/c1-3-5-9-7-6-8-4-2/h1H,4-7H2,2H3","SWAJTUQESHEIHG-UHFFFAOYSA-N"
"1251","C#CCOCCOCCOCCOCC","[R1]C#CCOCCOCCOCCOCC[R2]","216.277","216.13615912","0.12","15","0","4","0","11","36.92","C11H20O4","InChI=1S/C11H20O4/c1-3-5-13-8-9-15-11-10-14-7-6-12-4-2/h1H,4-11H2,2H3","VWADZMVKLRTURE-UHFFFAOYSA-N"
"1252","C#CCOCCOCCOCCOCCOCC","[R1]C#CCOCCOCCOCCOCCOCC[R2]","260.33","260.162373868","-0.03","18","0","5","0","14","46.15","C13H24O5","InChI=1S/C13H24O5/c1-3-5-15-8-9-17-12-13-18-11-10-16-7-6-14-4-2/h1H,4-13H2,2H3","AFYMQOXPPYRFRW-UHFFFAOYSA-N"
"1253","C#CCOCCOCCOCCOCCOCCOCC","[R1]C#CCOCCOCCOCCOCCOCCOCC[R2]","304.383","304.188588616","-0.18","21","0","6","0","17","55.38","C15H28O6","InChI=1S/C15H28O6/c1-3-5-17-8-9-19-12-13-21-15-14-20-11-10-18-7-6-16-4-2/h1H,4-15H2,2H3","WKPPNQDNPVASBT-UHFFFAOYSA-N"
"1254","C#CCN","[R1]C#CCN[R2]","55.08","55.04219916","-0.6","4","0","1","1","0","26.02","C3H5N","InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2","JKANAVGODYYCQF-UHFFFAOYSA-N"
"1255","C#CCCN","[R1]C#CCCN[R2]","69.107","69.057849224","-0.14","5","0","1","1","1","26.02","C4H7N","InChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2","XSBPYGDBXQXSCU-UHFFFAOYSA-N"
"1256","C#CCCCN","[R1]C#CCCCN[R2]","83.134","83.073499288","0.22","6","0","1","1","2","26.02","C5H9N","InChI=1S/C5H9N/c1-2-3-4-5-6/h1H,3-6H2","LMDDPGHBJXJGAC-UHFFFAOYSA-N"
"1257","C#CCCCCN","[R1]C#CCCCCN[R2]","97.161","97.089149352","0.58","7","0","1","1","3","26.02","C6H11N","InChI=1S/C6H11N/c1-2-3-4-5-6-7/h1H,3-7H2","ONUHRYKLJYSRMY-UHFFFAOYSA-N"
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"1305","NC1=CC=C(C(=O)NCCCCO)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCCO[R2]","208.261","208.121177752","0.55","15","1","3","3","5","75.35","C11H16N2O2","InChI=1S/C11H16N2O2/c12-10-5-3-9(4-6-10)11(15)13-7-1-2-8-14/h3-6,14H,1-2,7-8,12H2,(H,13,15)","UZUYJZLNUQWNOQ-UHFFFAOYSA-N"
"1306","NC1=CC=C(C(=O)NC2CCNCC2)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NC2CCN(CC2)[R2]","219.288","219.137162164","0.64","16","2","3","3","2","67.15","C12H17N3O","InChI=1S/C12H17N3O/c13-10-3-1-9(2-4-10)12(16)15-11-5-7-14-8-6-11/h1-4,11,14H,5-8,13H2,(H,15,16)","VUTJJQNTVJWJNN-UHFFFAOYSA-N"
"1307","NC1=CC=C(C(=O)NCCN2CCNCC2)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)[R2]","248.33","248.16371126","-0.1","18","2","4","3","4","70.39","C13H20N4O","InChI=1S/C13H20N4O/c14-12-3-1-11(2-4-12)13(18)16-7-10-17-8-5-15-6-9-17/h1-4,15H,5-10,14H2,(H,16,18)","XLGIMHUCNZMLHR-UHFFFAOYSA-N"
"1308","NCCCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCCN[R2]","207.277","207.137162164","0.29","15","1","3","3","5","81.14","C11H17N3O","InChI=1S/C11H17N3O/c12-7-1-2-8-14-11(15)9-3-5-10(13)6-4-9/h3-6H,1-2,7-8,12-13H2,(H,14,15)","BBSGTJMXSSLBBP-UHFFFAOYSA-N"
"1309","NC1=CC=C(C(=O)NCCCN2CCNCC2)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)[R2]","262.357","262.179361324","0.26","19","2","4","3","5","70.39","C14H22N4O","InChI=1S/C14H22N4O/c15-13-4-2-12(3-5-13)14(19)17-6-1-9-18-10-7-16-8-11-18/h2-5,16H,1,6-11,15H2,(H,17,19)","REMVDBZMHZXRHU-UHFFFAOYSA-N"
"1310","NC1=CC=C(C(=O)NCCCN2CC3CC2CN3)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCN2CC3CC2CN3[R2]","274.368","274.179361324","0.52","20","3","4","3","5","70.39","C15H22N4O","InChI=1S/C15H22N4O/c16-12-4-2-11(3-5-12)15(20)17-6-1-7-19-10-13-8-14(19)9-18-13/h2-5,13-14,18H,1,6-10,16H2,(H,17,20)","BIQXMFJCVFRRCB-UHFFFAOYSA-N"
"1311","NC1=CC=C(C(=O)NCCCN2CCC3(CCNCC3)CC2)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCN2CCC3(CCN(CC3)[R2])CC2","330.476","330.24196158","1.57","24","3","4","3","5","70.39","C19H30N4O","InChI=1S/C19H30N4O/c20-17-4-2-16(3-5-17)18(24)22-10-1-13-23-14-8-19(9-15-23)6-11-21-12-7-19/h2-5,21H,1,6-15,20H2,(H,22,24)","FVLNKMALZTUEPV-UHFFFAOYSA-N"
"1312","CC(=O)NCCCO","[R1]CC(=O)NCCCO[R2]","117.148","117.078978592","-0.79","8","0","2","2","3","49.33","C5H11NO2","InChI=1S/C5H11NO2/c1-5(8)6-3-2-4-7/h7H,2-4H2,1H3,(H,6,8)","LEICDYOVJNQLTN-UHFFFAOYSA-N"
"1313","CC(=O)NCCCCCO","[R1]CC(=O)NCCCCCO[R2]","145.202","145.11027872","-0.07","10","0","2","2","5","49.33","C7H15NO2","InChI=1S/C7H15NO2/c1-7(10)8-5-3-2-4-6-9/h9H,2-6H2,1H3,(H,8,10)","WYSXDEZHXVRTSJ-UHFFFAOYSA-N"
"1314","CC(=O)NCCOCCOCCO","[R1]CC(=O)NCCOCCOCCO[R2]","191.227","191.115758024","-1.44","13","0","4","2","8","67.79","C8H17NO4","InChI=1S/C8H17NO4/c1-8(11)9-2-4-12-6-7-13-5-3-10/h10H,2-7H2,1H3,(H,9,11)","DKYSSFCAFYKFCK-UHFFFAOYSA-N"
"1315","COCC1=CN(CCOCCOCCO)N=N1","[R1]COCC1=CN(N=N1)CCOCCOCCO[R2]","245.279","245.137556088","-1.67","17","1","7","1","10","78.63","C10H19N3O4","InChI=1S/C10H19N3O4/c1-15-9-10-8-13(12-11-10)2-4-16-6-7-17-5-3-14/h8,14H,2-7,9H2,1H3","DXTHTUFFSBHBCY-UHFFFAOYSA-N"
"1316","NCC1=CN(CCCCNC(=O)CO)N=N1","[R1]NCC1=CN(N=N1)CCCCNC(=O)CO[R2]","227.268","227.138224784","-2.11","16","1","6","3","7","106.06","C9H17N5O2","InChI=1S/C9H17N5O2/c10-5-8-6-14(13-12-8)4-2-1-3-11-9(16)7-15/h6,15H,1-5,7,10H2,(H,11,16)","YHMWCBZMBZWCFX-UHFFFAOYSA-N"
"1317","CC(=O)NCCCCN1C=C(CN)N=N1","[R1]NCC1=CN(N=N1)CCCCNC(=O)C[R2]","211.269","211.143310164","-1.46","15","1","5","2","6","85.83","C9H17N5O","InChI=1S/C9H17N5O/c1-8(15)11-4-2-3-5-14-7-9(6-10)12-13-14/h7H,2-6,10H2,1H3,(H,11,15)","JOKXAJMKQGDOQN-UHFFFAOYSA-N"
"1318","NCC(=O)NCCCCN1C=C(CN)N=N1","[R1]NCC1=CN(N=N1)CCCCNC(=O)CN[R2]","226.284","226.154209196","-2.36","16","1","6","3","7","111.85","C9H18N6O","InChI=1S/C9H18N6O/c10-5-8-7-15(14-13-8)4-2-1-3-12-9(16)6-11/h7H,1-6,10-11H2,(H,12,16)","FXEMRHMZALOJFJ-UHFFFAOYSA-N"
"1319","CC1=CN(CC(N)=O)N=N1","[R1]NC(=O)CN1C=C(N=N1)C[R2]","140.146","140.069810876","-0.87","10","1","4","1","2","73.8","C5H8N4O","InChI=1S/C5H8N4O/c1-4-2-9(8-7-4)3-5(6)10/h2H,3H2,1H3,(H2,6,10)","FYSQBMGKCRNZCL-UHFFFAOYSA-N"
"1320","NC(=O)CN1C=C(CCC=O)N=N1","[R1]NC(=O)CN1C=C(N=N1)CCC(=O)[R2]","182.183","182.08037556","-1.54","13","1","5","1","5","90.87","C7H10N4O2","InChI=1S/C7H10N4O2/c8-7(13)5-11-4-6(9-10-11)2-1-3-12/h3-4H,1-2,5H2,(H2,8,13)","ABKPESQUZYKYPU-UHFFFAOYSA-N"
"1321","NC(=O)CN1C=C(CCCC=O)N=N1","[R1]NC(=O)CN1C=C(N=N1)CCCC(=O)[R2]","196.21","196.096025624","-1.18","14","1","5","1","6","90.87","C8H12N4O2","InChI=1S/C8H12N4O2/c9-8(14)6-12-5-7(10-11-12)3-1-2-4-13/h4-5H,1-3,6H2,(H2,9,14)","UBWUCAJDQVTZTK-UHFFFAOYSA-N"
"1322","NC(=O)CN1C=C(CCCCC=O)N=N1","[R1]NC(=O)CN1C=C(N=N1)CCCCC(=O)[R2]","210.237","210.111675688","-0.82","15","1","5","1","7","90.87","C9H14N4O2","InChI=1S/C9H14N4O2/c10-9(15)7-13-6-8(11-12-13)4-2-1-3-5-14/h5-6H,1-4,7H2,(H2,10,15)","SUMIBWFGCUKVES-UHFFFAOYSA-N"
"1323","NC(=O)CCN1C=C(CCCCC=O)N=N1","[R1]NC(=O)CCN1C=C(N=N1)CCCCC(=O)[R2]","224.264","224.127325752","-1.09","16","1","5","1","8","90.87","C10H16N4O2","InChI=1S/C10H16N4O2/c11-10(16)5-6-14-8-9(12-13-14)4-2-1-3-7-15/h7-8H,1-6H2,(H2,11,16)","PDGRWOSJUTVGRS-UHFFFAOYSA-N"
"1324","NC(=O)CCCC1=CN(C2=CC=C(CC=O)C=C2)N=N1","[R1]NC(=O)CCCC1=CN(N=N1)C2=CC=C(C=C2)CC(=O)[R2]","272.308","272.127325752","0.25","20","2","5","1","7","90.87","C14H16N4O2","InChI=1S/C14H16N4O2/c15-14(20)3-1-2-12-10-18(17-16-12)13-6-4-11(5-7-13)8-9-19/h4-7,9-10H,1-3,8H2,(H2,15,20)","XTWWDXZFQBQVPN-UHFFFAOYSA-N"
"1325","CC1=CN(CCC(N)=O)N=N1","[R1]NC(=O)CCN1C=C(N=N1)C[R2]","154.173","154.08546094","-1.13","11","1","4","1","3","73.8","C6H10N4O","InChI=1S/C6H10N4O/c1-5-4-10(9-8-5)3-2-6(7)11/h4H,2-3H2,1H3,(H2,7,11)","SJXPEVUQCTYXBC-UHFFFAOYSA-N"
"1326","NC(=O)CCN1C=C(CCCC=O)N=N1","[R1]NC(=O)CCN1C=C(N=N1)CCCC(=O)[R2]","210.237","210.111675688","-1.44","15","1","5","1","7","90.87","C9H14N4O2","InChI=1S/C9H14N4O2/c10-9(15)4-5-13-7-8(11-12-13)3-1-2-6-14/h6-7H,1-5H2,(H2,10,15)","AWWIWQQRDVNONT-UHFFFAOYSA-N"
"1327","CC(=O)NCC1=CN(C2=CC=C(CC=O)C=C2)N=N1","[R1]CC(=O)NCC1=CN(N=N1)C2=CC=C(C=C2)CC(=O)[R2]","258.281","258.111675688","-0.11","19","2","5","1","5","76.88","C13H14N4O2","InChI=1S/C13H14N4O2/c1-10(19)14-8-12-9-17(16-15-12)13-4-2-11(3-5-13)6-7-18/h2-5,7,9H,6,8H2,1H3,(H,14,19)","SJNJWJAAUFBXGG-UHFFFAOYSA-N"
"1328","CCCCCCCC(N)=O","[R1]NC(=O)CCCCCCC[R2]","143.23","143.131014164","2.13","10","0","1","1","6","43.09","C8H17NO","InChI=1S/C8H17NO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H2,9,10)","LTHCSWBWNVGEFE-UHFFFAOYSA-N"
"1329","CCCCCCCCCC(N)=O","[R1]NC(=O)CCCCCCCCC[R2]","171.284","171.162314292","3.22","12","0","1","1","8","43.09","C10H21NO","InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H2,11,12)","TUTWLYPCGCUWQI-UHFFFAOYSA-N"
"1330","C1=CC=CC=C1","[R1]C1=CC=CC=C1[R2]","78.114","78.046950192","1.92","6","1","0","0","0","0","C6H6","InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H","UHOVQNZJYSORNB-UHFFFAOYSA-N"
"1331","CCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCC[R2]","149.193","149.084063972","1.57","11","1","1","1","2","29.1","C9H11NO","InChI=1S/C9H11NO/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)","SDIDYFBTIZOPLA-UHFFFAOYSA-N"
"1332","CCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCC[R2]","163.22","163.099714036","2.09","12","1","1","1","3","29.1","C10H13NO","InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)","DYZWXBMTHNHXML-UHFFFAOYSA-N"
"1333","CCCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCCC[R2]","177.247","177.1153641","2.45","13","1","1","1","4","29.1","C11H15NO","InChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)","BAULSHLTGVOYKM-UHFFFAOYSA-N"
"1334","CCCCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCCCC[R2]","191.274","191.131014164","2.99","14","1","1","1","5","29.1","C12H17NO","InChI=1S/C12H17NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14)","LZDRLYMZVCFDSN-UHFFFAOYSA-N"
"1335","CCCCCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCCCCC[R2]","205.301","205.146664228","3.53","15","1","1","1","6","29.1","C13H19NO","InChI=1S/C13H19NO/c1-2-3-4-8-11-14-13(15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,14,15)","MLDQPOXOWLCOEC-UHFFFAOYSA-N"
"1336","CCCCCCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCCCCCC[R2]","219.328","219.162314292","4.07","16","1","1","1","7","29.1","C14H21NO","InChI=1S/C14H21NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)","SPWFOBXEDXDSNL-UHFFFAOYSA-N"
"1337","COCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCOC[R2]","179.219","179.094628656","1.05","13","1","2","1","4","38.33","C10H13NO2","InChI=1S/C10H13NO2/c1-13-8-7-11-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)","ZZKSAVUXOUDMGW-UHFFFAOYSA-N"
"1338","COCCOCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCOCCOC[R2]","223.272","223.120843404","0.9","16","1","3","1","7","47.56","C12H17NO3","InChI=1S/C12H17NO3/c1-15-9-10-16-8-7-13-12(14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)","JIQOPOXHPLPBFJ-UHFFFAOYSA-N"
"1339","COCCOCCOCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCOCCOCCOC[R2]","267.325","267.147058152","0.76","19","1","4","1","10","56.79","C14H21NO4","InChI=1S/C14H21NO4/c1-17-9-10-19-12-11-18-8-7-15-14(16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,16)","OOMUKOZLYTZUSB-UHFFFAOYSA-N"
"1340","COCCOCCOCCOCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCOCCOCCOCCOC[R2]","311.378","311.1732729","0.61","22","1","5","1","13","66.02","C16H25NO5","InChI=1S/C16H25NO5/c1-19-9-10-21-13-14-22-12-11-20-8-7-17-16(18)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,18)","ZQKWYJUKBWAHDW-UHFFFAOYSA-N"
"1341","COCCOCCOCCOCCOCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCOCCOCCOCCOCCOC[R2]","355.431","355.199487648","0.46","25","1","6","1","16","75.25","C18H29NO6","InChI=1S/C18H29NO6/c1-21-9-10-23-13-14-25-16-15-24-12-11-22-8-7-19-18(20)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,19,20)","SKMJBSBNUMKSIV-UHFFFAOYSA-N"
"1342","COCCOCCOCCOCCOCCOCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=CC=C1C(=O)NCCOCCOCCOCCOCCOCCOC[R2]","399.484","399.225702396","0.31","28","1","7","1","19","84.48","C20H33NO7","InChI=1S/C20H33NO7/c1-23-9-10-25-13-14-27-17-18-28-16-15-26-12-11-24-8-7-21-20(22)19-5-3-2-4-6-19/h2-6H,7-18H2,1H3,(H,21,22)","YGUOJQCZAFTKEL-UHFFFAOYSA-N"
"1343","CC1=CN(CCC=O)N=N1","[R1]CC1=CN(N=N1)CCC(=O)[R2]","139.158","139.074561908","-0.54","10","1","4","0","3","47.78","C6H9N3O","InChI=1S/C6H9N3O/c1-6-5-9(8-7-6)3-2-4-10/h4-5H,2-3H2,1H3","WOLHVGFIRSIEMH-UHFFFAOYSA-N"
"1344","CC1=CN(CC=O)N=N1","[R1]CC1=CN(N=N1)CC(=O)[R2]","125.131","125.058911844","-0.28","9","1","4","0","2","47.78","C5H7N3O","InChI=1S/C5H7N3O/c1-5-4-8(2-3-9)7-6-5/h3-4H,2H2,1H3","BRGQAMFDYSZIHL-UHFFFAOYSA-N"
"1345","CC1=CN(C(C)C=O)N=N1","[R1]CC1=CN(N=N1)C(C)C(=O)[R2]","139.158","139.074561908","0.12","10","1","4","0","2","47.78","C6H9N3O","InChI=1S/C6H9N3O/c1-5-3-9(8-7-5)6(2)4-10/h3-4,6H,1-2H3","ACRYXLVFKQMZEC-UHFFFAOYSA-N"
"1346","CCCC1=CN(CCC=O)N=N1","[R1]CCCC1=CN(N=N1)CCC(=O)[R2]","167.212","167.105862036","0.25","12","1","4","0","5","47.78","C8H13N3O","InChI=1S/C8H13N3O/c1-2-4-8-7-11(10-9-8)5-3-6-12/h6-7H,2-5H2,1H3","NMBXOLJAOXUYPK-UHFFFAOYSA-N"
"1347","CCCC1=CN(CCCC=O)N=N1","[R1]CCCC1=CN(N=N1)CCCC(=O)[R2]","181.239","181.1215121","0.6","13","1","4","0","6","47.78","C9H15N3O","InChI=1S/C9H15N3O/c1-2-5-9-8-12(11-10-9)6-3-4-7-13/h7-8H,2-6H2,1H3","NEABNBFSHZMWNQ-UHFFFAOYSA-N"
"1348","CCCC1=CN(CCCCC=O)N=N1","[R1]CCCC1=CN(N=N1)CCCCC(=O)[R2]","195.266","195.137162164","0.96","14","1","4","0","7","47.78","C10H17N3O","InChI=1S/C10H17N3O/c1-2-6-10-9-13(12-11-10)7-4-3-5-8-14/h8-9H,2-7H2,1H3","LIYNTBYYKYOORU-UHFFFAOYSA-N"
"1349","CCCC1=CN(CCCCCC=O)N=N1","[R1]CCCC1=CN(N=N1)CCCCCC(=O)[R2]","209.293","209.152812228","1.32","15","1","4","0","8","47.78","C11H19N3O","InChI=1S/C11H19N3O/c1-2-7-11-10-14(13-12-11)8-5-3-4-6-9-15/h9-10H,2-8H2,1H3","KXMUVKREAWBSKI-UHFFFAOYSA-N"
"1350","CCCC1=CN(CC=O)N=N1","[R1]CCCC1=CN(N=N1)CC(=O)[R2]","153.185","153.090211972","0.51","11","1","4","0","4","47.78","C7H11N3O","InChI=1S/C7H11N3O/c1-2-3-7-6-10(4-5-11)9-8-7/h5-6H,2-4H2,1H3","BKXISGRRTCHYBZ-UHFFFAOYSA-N"
"1351","CCCC1=CN(C(C)C=O)N=N1","[R1]CCCC1=CN(N=N1)C(C)C(=O)[R2]","167.212","167.105862036","0.91","12","1","4","0","4","47.78","C8H13N3O","InChI=1S/C8H13N3O/c1-3-4-8-5-11(10-9-8)7(2)6-12/h5-7H,3-4H2,1-2H3","GPTXHWMTGBHMMN-UHFFFAOYSA-N"
"1352","CCCCC1=CN(CCC=O)N=N1","[R1]CCCCC1=CN(N=N1)CCC(=O)[R2]","181.239","181.1215121","0.79","13","1","4","0","6","47.78","C9H15N3O","InChI=1S/C9H15N3O/c1-2-3-5-9-8-12(11-10-9)6-4-7-13/h7-8H,2-6H2,1H3","VZSZNBWNJIDKKF-UHFFFAOYSA-N"
"1353","CCCCC1=CN(CCCC=O)N=N1","[R1]CCCCC1=CN(N=N1)CCCC(=O)[R2]","195.266","195.137162164","1.14","14","1","4","0","7","47.78","C10H17N3O","InChI=1S/C10H17N3O/c1-2-3-6-10-9-13(12-11-10)7-4-5-8-14/h8-9H,2-7H2,1H3","RPGZNEGHQWLBNJ-UHFFFAOYSA-N"
"1354","CCCCC1=CN(CCCCC=O)N=N1","[R1]CCCCC1=CN(N=N1)CCCCC(=O)[R2]","209.293","209.152812228","1.5","15","1","4","0","8","47.78","C11H19N3O","InChI=1S/C11H19N3O/c1-2-3-7-11-10-14(13-12-11)8-5-4-6-9-15/h9-10H,2-8H2,1H3","RFENIYDTEJUSTM-UHFFFAOYSA-N"
"1355","CCCCC1=CN(CCCCCC=O)N=N1","[R1]CCCCC1=CN(N=N1)CCCCCC(=O)[R2]","223.32","223.168462292","1.86","16","1","4","0","9","47.78","C12H21N3O","InChI=1S/C12H21N3O/c1-2-3-8-12-11-15(14-13-12)9-6-4-5-7-10-16/h10-11H,2-9H2,1H3","STIQVWLKDSVYKT-UHFFFAOYSA-N"
"1356","CCCCC1=CN(CC=O)N=N1","[R1]CCCCC1=CN(N=N1)CC(=O)[R2]","167.212","167.105862036","1.05","12","1","4","0","5","47.78","C8H13N3O","InChI=1S/C8H13N3O/c1-2-3-4-8-7-11(5-6-12)10-9-8/h6-7H,2-5H2,1H3","IVYMAIZWAGAHJN-UHFFFAOYSA-N"
"1357","CCCCC1=CN(C(C)C=O)N=N1","[R1]CCCCC1=CN(N=N1)C(C)C(=O)[R2]","181.239","181.1215121","1.45","13","1","4","0","5","47.78","C9H15N3O","InChI=1S/C9H15N3O/c1-3-4-5-9-6-12(11-10-9)8(2)7-13/h6-8H,3-5H2,1-2H3","NEUXVMIFJISXDE-UHFFFAOYSA-N"
"1358","CCOCCOCCOCCC(=O)OCC","[R1]CCOC(=O)CCOCCOCCOCC[R2]","234.292","234.146723804","0.34","16","0","5","0","11","53.99","C11H22O5","InChI=1S/C11H22O5/c1-3-13-7-8-15-10-9-14-6-5-11(12)16-4-2/h3-10H2,1-2H3","GIGZJKHYTPJUQZ-UHFFFAOYSA-N"
"1359","CCOC(=O)CCOCCOCCN1C=C(C)N=N1","[R1]CCOC(=O)CCOCCOCCN1C=C(N=N1)C[R2]","271.317","271.153206152","-0.08","19","1","7","0","10","75.47","C12H21N3O4","InChI=1S/C12H21N3O4/c1-3-19-12(16)4-6-17-8-9-18-7-5-15-10-11(2)13-14-15/h10H,3-9H2,1-2H3","RFQQJBQYWAAJMX-UHFFFAOYSA-N"
"1360","CCC(=O)NCCCNC(=O)CO","[R1]CCC(=O)NCCCNC(=O)CO[R2]","188.227","188.116092372","-0.97","13","0","3","3","6","78.43","C8H16N2O3","InChI=1S/C8H16N2O3/c1-2-7(12)9-4-3-5-10-8(13)6-11/h11H,2-6H2,1H3,(H,9,12)(H,10,13)","OSSHLTSEGGEHKW-UHFFFAOYSA-N"
"1361","CCNC(=O)CN1CCN(C(=O)CC)CC1","[R1]CCC(=O)N1CCN(CC1)CC(=O)NCC[R2]","227.308","227.163376912","-0.28","16","1","3","1","4","52.65","C11H21N3O2","InChI=1S/C11H21N3O2/c1-3-11(16)14-7-5-13(6-8-14)9-10(15)12-4-2/h3-9H2,1-2H3,(H,12,15)","SRZTVEJUVRLDMT-UHFFFAOYSA-N"
"1362","CCCNC(=O)CN1CCN(C(=O)CC)CC1","[R1]CCC(=O)N1CCN(CC1)CC(=O)NCCC[R2]","241.335","241.179026976","0.24","17","1","3","1","5","52.65","C12H23N3O2","InChI=1S/C12H23N3O2/c1-3-5-13-11(16)10-14-6-8-15(9-7-14)12(17)4-2/h3-10H2,1-2H3,(H,13,16)","CUFSAHXHVOBRLD-UHFFFAOYSA-N"
"1363","CCCCNC(=O)CN1CCN(C(=O)CC)CC1","[R1]CCC(=O)N1CCN(CC1)CC(=O)NCCCC[R2]","255.362","255.19467704","0.6","18","1","3","1","6","52.65","C13H25N3O2","InChI=1S/C13H25N3O2/c1-3-5-6-14-12(17)11-15-7-9-16(10-8-15)13(18)4-2/h3-11H2,1-2H3,(H,14,17)","IFTVNXJIVVACKK-UHFFFAOYSA-N"
"1364","CCCCCNC(=O)CN1CCN(C(=O)CC)CC1","[R1]CCC(=O)N1CCN(CC1)CC(=O)NCCCCC[R2]","269.389","269.210327104","1.14","19","1","3","1","7","52.65","C14H27N3O2","InChI=1S/C14H27N3O2/c1-3-5-6-7-15-13(18)12-16-8-10-17(11-9-16)14(19)4-2/h3-12H2,1-2H3,(H,15,18)","TWSWIVIVFOINNP-UHFFFAOYSA-N"
"1365","CCCCCCNC(=O)CN1CCN(C(=O)CC)CC1","[R1]CCC(=O)N1CCN(CC1)CC(=O)NCCCCCC[R2]","283.416","283.225977168","1.69","20","1","3","1","8","52.65","C15H29N3O2","InChI=1S/C15H29N3O2/c1-3-5-6-7-8-16-14(19)13-17-9-11-18(12-10-17)15(20)4-2/h3-13H2,1-2H3,(H,16,19)","VQOHSFMKSZLSBF-UHFFFAOYSA-N"
"1366","CCNC(=O)CN1CCN(C=O)CC1","[R1]C(=O)N1CCN(CC1)CC(=O)NCC[R2]","199.254","199.132076784","-0.19","14","1","3","1","4","52.65","C9H17N3O2","InChI=1S/C9H17N3O2/c1-2-10-9(14)7-11-3-5-12(8-13)6-4-11/h8H,2-7H2,1H3,(H,10,14)","MRDDDOHPMGBAKP-UHFFFAOYSA-N"
"1367","CCCNC(=O)CN1CCN(C=O)CC1","[R1]C(=O)N1CCN(CC1)CC(=O)NCCC[R2]","213.281","213.147726848","0.33","15","1","3","1","5","52.65","C10H19N3O2","InChI=1S/C10H19N3O2/c1-2-3-11-10(15)8-12-4-6-13(9-14)7-5-12/h9H,2-8H2,1H3,(H,11,15)","OYDRQDTUVBCXGU-UHFFFAOYSA-N"
"1368","CCCCNC(=O)CN1CCN(C=O)CC1","[R1]C(=O)N1CCN(CC1)CC(=O)NCCCC[R2]","227.308","227.163376912","0.69","16","1","3","1","6","52.65","C11H21N3O2","InChI=1S/C11H21N3O2/c1-2-3-4-12-11(16)9-13-5-7-14(10-15)8-6-13/h10H,2-9H2,1H3,(H,12,16)","MCDMDFYFFJAMNL-UHFFFAOYSA-N"
"1369","CCCCCCNC(=O)CN1CCN(C=O)CC1","[R1]C(=O)N1CCN(CC1)CC(=O)NCCCCCC[R2]","255.362","255.19467704","1.77","18","1","3","1","8","52.65","C13H25N3O2","InChI=1S/C13H25N3O2/c1-2-3-4-5-6-14-13(18)11-15-7-9-16(12-17)10-8-15/h12H,2-11H2,1H3,(H,14,18)","MZFOPYLWTWBREP-UHFFFAOYSA-N"
"1370","CCOCCOCCOCCOCCOCCNC(=O)CO","[R1]CCOCCOCCOCCOCCOCCNC(=O)CO[R2]","323.386","323.194402268","-1.48","22","0","7","2","17","95.48","C14H29NO7","InChI=1S/C14H29NO7/c1-2-18-5-6-20-9-10-22-12-11-21-8-7-19-4-3-15-14(17)13-16/h16H,2-13H2,1H3,(H,15,17)","ZOIPHKGRPFMQPO-UHFFFAOYSA-N"
"1371","O=C(CO)NCCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCCNC(=O)CO[R2]","339.385","339.189316888","-2.53","23","0","8","3","18","115.71","C14H29NO8","InChI=1S/C14H29NO8/c16-2-4-20-6-8-22-10-12-23-11-9-21-7-5-19-3-1-15-14(18)13-17/h16-17H,1-13H2,(H,15,18)","XYMRJXHYEQNOFC-UHFFFAOYSA-N"
"1372","O=C(CO)NCCOCCOCCOCCO","[R1]OCCOCCOCCOCCNC(=O)CO[R2]","251.279","251.136887392","-2.24","17","0","6","3","12","97.25","C10H21NO6","InChI=1S/C10H21NO6/c12-2-4-16-6-8-17-7-5-15-3-1-11-10(14)9-13/h12-13H,1-9H2,(H,11,14)","KTEPUFXRYIUHJS-UHFFFAOYSA-N"
"1373","O=C(CO)NCCOCCOCCOCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CO[R2]","427.491","427.241746384","-2.83","29","0","10","3","24","134.17","C18H37NO10","InChI=1S/C18H37NO10/c20-2-4-24-6-8-26-10-12-28-14-16-29-15-13-27-11-9-25-7-5-23-3-1-19-18(22)17-21/h20-21H,1-17H2,(H,19,22)","VZCVWIZNPTUXCT-UHFFFAOYSA-N"
"1374","CCCCCNC(=O)CCC","[R1]CCCC(=O)NCCCCC[R2]","157.257","157.146664228","2.16","11","0","1","1","6","29.1","C9H19NO","InChI=1S/C9H19NO/c1-3-5-6-8-10-9(11)7-4-2/h3-8H2,1-2H3,(H,10,11)","FXLPZZFKRQDGQW-UHFFFAOYSA-N"
"1375","CCCCCCCNC(=O)CCC","[R1]CCCC(=O)NCCCCCCC[R2]","185.311","185.177964356","3.24","13","0","1","1","8","29.1","C11H23NO","InChI=1S/C11H23NO/c1-3-5-6-7-8-10-12-11(13)9-4-2/h3-10H2,1-2H3,(H,12,13)","YOLMTRNOCFHKRO-UHFFFAOYSA-N"
"1376","CCCCCCCCCCNC(=O)CCC","[R1]CCCC(=O)NCCCCCCCCCC[R2]","227.392","227.224914548","5.95","16","0","1","1","11","29.1","C14H29NO","InChI=1S/C14H29NO/c1-3-5-6-7-8-9-10-11-13-15-14(16)12-4-2/h3-13H2,1-2H3,(H,15,16)","VNLRYCURXUALAI-UHFFFAOYSA-N"
"1377","CCCC(=O)NCCOCCOCCOC","[R1]CCCC(=O)NCCOCCOCCOC[R2]","233.308","233.162708216","0.83","16","0","4","1","11","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-3-4-11(13)12-5-6-15-9-10-16-8-7-14-2/h3-10H2,1-2H3,(H,12,13)","WBJAFLKMPRTDDN-UHFFFAOYSA-N"
"1378","CCCC(=O)NCCOCCOCCOCCOCC","[R1]CCCC(=O)NCCOCCOCCOCCOCC[R2]","291.388","291.204573028","0.14","20","0","5","1","15","66.02","C14H29NO5","InChI=1S/C14H29NO5/c1-3-5-14(16)15-6-7-18-10-11-20-13-12-19-9-8-17-4-2/h3-13H2,1-2H3,(H,15,16)","DEHRARVEJUORRX-UHFFFAOYSA-N"
"1379","CCCC(=O)NCC","[R1]CCCC(=O)NCC[R2]","115.176","115.099714036","0.73","8","0","1","1","3","29.1","C6H13NO","InChI=1S/C6H13NO/c1-3-5-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8)","DHCJWWQFOMHARO-UHFFFAOYSA-N"
"1380","CCCCCCNC(=O)CCC","[R1]CCCC(=O)NCCCCCC[R2]","171.284","171.162314292","3.79","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-5-6-7-9-11-10(12)8-4-2/h3-9H2,1-2H3,(H,11,12)","YRVDTEDFGDNSLD-UHFFFAOYSA-N"
"1381","CCCC(=O)NCCOCC","[R1]CCCC(=O)NCCOCC[R2]","159.229","159.125928784","0.59","11","0","2","1","6","38.33","C8H17NO2","InChI=1S/C8H17NO2/c1-3-5-8(10)9-6-7-11-4-2/h3-7H2,1-2H3,(H,9,10)","NAKSGVVPVYKZGU-UHFFFAOYSA-N"
"1382","CCCC(=O)NCCOCCOCC","[R1]CCCC(=O)NCCOCCOCC[R2]","203.282","203.152143532","0.44","14","0","3","1","9","47.56","C10H21NO3","InChI=1S/C10H21NO3/c1-3-5-10(12)11-6-7-14-9-8-13-4-2/h3-9H2,1-2H3,(H,11,12)","SECINYUPTGCFHD-UHFFFAOYSA-N"
"1383","CCCC(=O)NCCOCCOCCOCC","[R1]CCCC(=O)NCCOCCOCCOCC[R2]","247.335","247.17835828","0.29","17","0","4","1","12","56.79","C12H25NO4","InChI=1S/C12H25NO4/c1-3-5-12(14)13-6-7-16-10-11-17-9-8-15-4-2/h3-11H2,1-2H3,(H,13,14)","JLIHKFKVFRAADO-UHFFFAOYSA-N"
"1384","CCCC(=O)NCCOCCOCCOCCOCCOCC","[R1]CCCC(=O)NCCOCCOCCOCCOCCOCC[R2]","335.441","335.230787776","0","23","0","6","1","18","75.25","C16H33NO6","InChI=1S/C16H33NO6/c1-3-5-16(18)17-6-7-20-10-11-22-14-15-23-13-12-21-9-8-19-4-2/h3-15H2,1-2H3,(H,17,18)","LJYSEHZXCPUBKT-UHFFFAOYSA-N"
"1385","CCCC(=O)NCCOCCOCC(=O)NCC","[R1]CCCC(=O)NCCOCCOCC(=O)NCC[R2]","260.334","260.173607248","-0.21","18","0","4","2","11","76.66","C12H24N2O4","InChI=1S/C12H24N2O4/c1-3-5-11(15)14-6-7-17-8-9-18-10-12(16)13-4-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)","GGKLREPRWHOMCM-UHFFFAOYSA-N"
"1386","CCCC(=O)NCCOCCOCCOCC(=O)NCC","[R1]CCCC(=O)NCCOCCOCCOCC(=O)NCC[R2]","304.387","304.199821996","-0.36","21","0","5","2","14","85.89","C14H28N2O5","InChI=1S/C14H28N2O5/c1-3-5-13(17)16-6-7-19-8-9-20-10-11-21-12-14(18)15-4-2/h3-12H2,1-2H3,(H,15,18)(H,16,17)","LCJDGSCPJPEWOF-UHFFFAOYSA-N"
"1387","CCCC(=O)NCCCC(=O)NCC","[R1]CCCC(=O)NCCCC(=O)NCC[R2]","200.282","200.15247788","0.34","14","0","2","2","7","58.2","C10H20N2O2","InChI=1S/C10H20N2O2/c1-3-6-9(13)12-8-5-7-10(14)11-4-2/h3-8H2,1-2H3,(H,11,14)(H,12,13)","ONHPFVJSRKSIQT-UHFFFAOYSA-N"
"1388","CCCC(=O)NCCCCCC(=O)NCC","[R1]CCCC(=O)NCCCCCC(=O)NCC[R2]","228.336","228.183778008","1.05","16","0","2","2","9","58.2","C12H24N2O2","InChI=1S/C12H24N2O2/c1-3-8-11(15)14-10-7-5-6-9-12(16)13-4-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)","NEANJGLBAZTWBE-UHFFFAOYSA-N"
"1389","CCCC(=O)NCCCCCCCC(=O)NCC","[R1]CCCC(=O)NCCCCCCCC(=O)NCC[R2]","256.39","256.215078136","2.14","18","0","2","2","11","58.2","C14H28N2O2","InChI=1S/C14H28N2O2/c1-3-10-13(17)16-12-9-7-5-6-8-11-14(18)15-4-2/h3-12H2,1-2H3,(H,15,18)(H,16,17)","ALPLMOPIAJRJMN-UHFFFAOYSA-N"
"1390","CCCC(=O)NCCCCCCCCCCC(=O)NCC","[R1]CCCC(=O)NCCCCCCCCCCC(=O)NCC[R2]","298.471","298.262028328","3.76","21","0","2","2","14","58.2","C17H34N2O2","InChI=1S/C17H34N2O2/c1-3-13-16(20)19-15-12-10-8-6-5-7-9-11-14-17(21)18-4-2/h3-15H2,1-2H3,(H,18,21)(H,19,20)","LNDPEAHQPJDKCQ-UHFFFAOYSA-N"
"1391","CO","[R1]OC[R2]","32.042","32.026214748","-0.46","2","0","1","1","0","20.23","CH4O","InChI=1S/CH4O/c1-2/h2H,1H3","OKKJLVBELUTLKV-UHFFFAOYSA-N"
"1392","CCCCCO","[R1]OCCCCC[R2]","88.15","88.088815004","1.33","6","0","1","1","3","20.23","C5H12O","InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","AMQJEAYHLZJPGS-UHFFFAOYSA-N"
"1393","CCCCCCO","[R1]OCCCCCC[R2]","102.177","102.104465068","1.88","7","0","1","1","4","20.23","C6H14O","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","ZSIAUFGUXNUGDI-UHFFFAOYSA-N"
"1394","CCCCCCCCO","[R1]OCCCCCCCC[R2]","130.231","130.135765196","2.96","9","0","1","1","6","20.23","C8H18O","InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3","KBPLFHHGFOOTCA-UHFFFAOYSA-N"
"1395","CCOCCN","[R1]CCOCCN[R2]","89.138","89.084063972","-0.5","6","0","2","1","3","35.25","C4H11NO","InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3","BPGIOCZAQDIBPI-UHFFFAOYSA-N"
"1396","CC1CCN(C(=O)C2=CC=CC=C2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)C[R2]","203.285","203.131014164","2.66","15","2","1","0","1","20.31","C13H17NO","InChI=1S/C13H17NO/c1-11-7-9-14(10-8-11)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3","BAXKIBHBAJDALN-UHFFFAOYSA-N"
"1397","O=C(C1=CC=CC=C1)N1CCCCC1","[R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)[R2]","189.258","189.1153641","2.23","14","2","1","0","1","20.31","C12H15NO","InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2","YXTROGRGRSPWKL-UHFFFAOYSA-N"
"1398","COC1(C)CCN(C(=O)C2=CC=CC=C2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C[R2])OC","233.311","233.141578848","1.97","17","2","2","0","2","29.54","C14H19NO2","InChI=1S/C14H19NO2/c1-14(17-2)8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3","PJIXIWPBOKHEIU-UHFFFAOYSA-N"
"1399","O=C(C1=CC=CC=C1)N1CCN(C2CNC2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CN(C3)[R2]","245.326","245.152812228","0.6","18","3","3","1","2","35.58","C14H19N3O","InChI=1S/C14H19N3O/c18-14(12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-15-11-13/h1-5,13,15H,6-11H2","ZSEFVQKPWKNJBQ-UHFFFAOYSA-N"
"1400","CC1CN(C(=O)C2=CC=CC=C2)C1","[R1]C1=CC=C(C=C1)C(=O)N2CC(C2)C[R2]","175.231","175.099714036","1.95","13","2","1","0","1","20.31","C11H13NO","InChI=1S/C11H13NO/c1-9-7-12(8-9)11(13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3","NOIZETYWJKQPPY-UHFFFAOYSA-N"
"1401","CC1(F)CCN(C(=O)C2=CC=CC=C2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C[R2])F","221.275","221.121592352","2.47","16","2","1","0","1","20.31","C13H16FNO","InChI=1S/C13H16FNO/c1-13(14)7-9-15(10-8-13)12(16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3","VTHDBTTWVXHZGE-UHFFFAOYSA-N"
"1402","O=C(C1=CC=CC=C1)N1CCC2(CCC2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CC(C3)[R2]","229.323","229.146664228","3.38","17","3","1","0","1","20.31","C15H19NO","InChI=1S/C15H19NO/c17-14(13-5-2-1-3-6-13)16-11-9-15(10-12-16)7-4-8-15/h1-3,5-6H,4,7-12H2","VWGRLSZGKYIAGN-UHFFFAOYSA-N"
"1403","O=CCN1CCN(C(=O)C2=CC=CC=C2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)[R2]","232.283","232.121177752","0.72","17","2","3","0","3","40.62","C13H16N2O2","InChI=1S/C13H16N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,11H,6-10H2","MEZLQZFZBNAALS-UHFFFAOYSA-N"
"1404","CC(=O)N1CCN(C(=O)C2=CC=CC=C2)CC1","[R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C[R2]","232.283","232.121177752","0.65","17","2","2","0","1","40.62","C13H16N2O2","InChI=1S/C13H16N2O2/c1-11(16)14-7-9-15(10-8-14)13(17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3","MWAMAMKEZQPIGU-UHFFFAOYSA-N"
"1405","COC=O","[R1]C(=O)OC[R2]","60.052","60.021129368","0.13","4","0","2","0","1","26.3","C2H4O2","InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3","TZIHFWKZFHZASV-UHFFFAOYSA-N"
"1406","CCCCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCCC[R2]","206.289","206.141913196","2.31","15","1","2","2","5","55.12","C12H18N2O","InChI=1S/C12H18N2O/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h5-8H,2-4,9,13H2,1H3,(H,14,15)","XZGYRURAYYNRPY-UHFFFAOYSA-N"
"1407","CCCCCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCCCCC[R2]","220.316","220.15756326","2.85","16","1","2","2","6","55.12","C13H20N2O","InChI=1S/C13H20N2O/c1-2-3-4-5-10-15-13(16)11-6-8-12(14)9-7-11/h6-9H,2-5,10,14H2,1H3,(H,15,16)","NTMJAKAWNQAJKX-UHFFFAOYSA-N"
"1408","CCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCC[R2]","178.235","178.110613068","1.41","13","1","2","2","3","55.12","C10H14N2O","InChI=1S/C10H14N2O/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3,(H,12,13)","MPSUFQMXTCIJCF-UHFFFAOYSA-N"
"1409","CCOCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCOCC[R2]","208.261","208.121177752","0.74","15","1","3","2","5","64.35","C11H16N2O2","InChI=1S/C11H16N2O2/c1-2-15-8-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)","DOEHGLWMHRPDAL-UHFFFAOYSA-N"
"1410","CCOCCOCCOCCOCCOCCOCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCOCCOCCOCCOCCOCCOCC[R2]","428.526","428.252251492","0","30","1","8","2","20","110.5","C21H36N2O7","InChI=1S/C21H36N2O7/c1-2-25-9-10-27-13-14-29-17-18-30-16-15-28-12-11-26-8-7-23-21(24)19-3-5-20(22)6-4-19/h3-6H,2,7-18,22H2,1H3,(H,23,24)","AKUGDIIDKUYRBP-UHFFFAOYSA-N"
"1411","CCOCCOCCOCCOCCOCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCOCCOCCOCCOCCOCC[R2]","384.473","384.226036744","0.15","27","1","7","2","17","101.27","C19H32N2O6","InChI=1S/C19H32N2O6/c1-2-23-9-10-25-13-14-27-16-15-26-12-11-24-8-7-21-19(22)17-3-5-18(20)6-4-17/h3-6H,2,7-16,20H2,1H3,(H,21,22)","DVJVZEFBZPXMTC-UHFFFAOYSA-N"
"1412","CCOCCOCCOCCOCCNC(=O)C1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)C(=O)NCCOCCOCCOCCOCC[R2]","340.42","340.199821996","0.29","24","1","6","2","14","92.04","C17H28N2O5","InChI=1S/C17H28N2O5/c1-2-21-9-10-23-13-14-24-12-11-22-8-7-19-17(20)15-3-5-16(18)6-4-15/h3-6H,2,7-14,18H2,1H3,(H,19,20)","KQXSZJALLQBVCP-UHFFFAOYSA-N"
"1413","CCOCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCOCC[R2]","273.333","273.168856216","-0.6","19","1","7","0","13","67.63","C12H23N3O4","InChI=1S/C12H23N3O4/c1-2-16-7-8-18-11-12-19-10-9-17-6-5-15-4-3-13-14-15/h3-4H,2,5-12H2,1H3","YSBJUMJCIPHJQN-UHFFFAOYSA-N"
"1414","CCOCCOCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2]","317.386","317.195070964","-0.75","22","1","8","0","16","76.86","C14H27N3O5","InChI=1S/C14H27N3O5/c1-2-18-7-8-20-11-12-22-14-13-21-10-9-19-6-5-17-4-3-15-16-17/h3-4H,2,5-14H2,1H3","AQWICMYNYLPYPZ-UHFFFAOYSA-N"
"1415","CCOCCOCCOCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2]","361.439","361.221285712","-0.9","25","1","9","0","19","86.09","C16H31N3O6","InChI=1S/C16H31N3O6/c1-2-20-7-8-22-11-12-24-15-16-25-14-13-23-10-9-21-6-5-19-4-3-17-18-19/h3-4H,2,5-16H2,1H3","DJLFAIRTIVCMLW-UHFFFAOYSA-N"
"1416","CCC1=CC=C(N2CCNCC2)C=C1","[R1]CCC1=CC=C(C=C1)N2CCN(CC2)[R2]","190.29","190.146998576","2.19","14","2","2","1","2","15.27","C12H18N2","InChI=1S/C12H18N2/c1-2-11-3-5-12(6-4-11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3","GLJGLGNGUCOPBJ-UHFFFAOYSA-N"
"1417","CCCC1=CC=C(NC(C)=O)C=C1","[R1]CCCC1=CC=C(C=C1)NC(=O)C[R2]","177.247","177.1153641","2.44","13","1","1","1","3","29.1","C11H15NO","InChI=1S/C11H15NO/c1-3-4-10-5-7-11(8-6-10)12-9(2)13/h5-8H,3-4H2,1-2H3,(H,12,13)","HQQXWLXWAUYDAW-UHFFFAOYSA-N"
"1418","CCN1CCN(C(C)=O)CC1","[R1]CCN1CCN(CC1)C(=O)C[R2]","156.229","156.126263132","-0.1","11","1","2","0","1","23.55","C8H16N2O","InChI=1S/C8H16N2O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3","VUHRYOBNDRCGBH-UHFFFAOYSA-N"
"1419","CCN(C)CC1CCNCC1","[R1]CCN(C)CC1CCN(CC1)[R2]","156.273","156.16264864","0.95","11","1","2","1","3","15.27","C9H20N2","InChI=1S/C9H20N2/c1-3-11(2)8-9-4-6-10-7-5-9/h9-10H,3-8H2,1-2H3","IKPGXZXKSMHPCC-UHFFFAOYSA-N"
"1420","CCC1CCC(N2CCNCC2)CC1","[R1]CCC1CCC(CC1)N2CCN(CC2)[R2]","196.338","196.193948768","2.21","14","2","2","1","2","15.27","C12H24N2","InChI=1S/C12H24N2/c1-2-11-3-5-12(6-4-11)14-9-7-13-8-10-14/h11-13H,2-10H2,1H3","PFJGLJBUBRSAPF-UHFFFAOYSA-N"
"1421","CCCN1CCN(C(C)=O)CC1","[R1]CCCN1CCN(CC1)C(=O)C[R2]","170.256","170.141913196","0.43","12","1","2","0","2","23.55","C9H18N2O","InChI=1S/C9H18N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h3-8H2,1-2H3","KOOLYPVFWPPNBC-UHFFFAOYSA-N"
"1422","CN(CC1CCN(C=O)CC1)C1CCC1","[R1]C1CC(C1)N(C)CC2CCN(CC2)C(=O)[R2]","210.321","210.173213324","1.98","15","2","2","0","4","23.55","C12H22N2O","InChI=1S/C12H22N2O/c1-13(12-3-2-4-12)9-11-5-7-14(10-15)8-6-11/h10-12H,2-9H2,1H3","BVSQEYLFDFOLAM-UHFFFAOYSA-N"
"1423","CCN1CCC(OC2CCN(C=O)CC2)CC1","[R1]CCN1CCC(CC1)OC2CCN(CC2)C(=O)[R2]","240.347","240.183778008","1.65","17","2","3","0","4","32.78","C13H24N2O2","InChI=1S/C13H24N2O2/c1-2-14-7-3-12(4-8-14)17-13-5-9-15(11-16)10-6-13/h11-13H,2-10H2,1H3","XDUIHWJENUQZCI-UHFFFAOYSA-N"
"1424","O=CN1CCC(CN2CCCCC2)CC1","[R1]C1CCN(CC1)CC2CCN(CC2)C(=O)[R2]","210.321","210.173213324","1.91","15","2","2","0","3","23.55","C12H22N2O","InChI=1S/C12H22N2O/c15-11-14-8-4-12(5-9-14)10-13-6-2-1-3-7-13/h11-12H,1-10H2","MWTOGDGIHDTTCR-UHFFFAOYSA-N"
"1425","O=CN1CCC(CN2CCC(O)CC2)CC1","[R1]OC1CCN(CC1)CC2CCN(CC2)C(=O)[R2]","226.32","226.168127944","0.93","16","2","3","1","3","43.78","C12H22N2O2","InChI=1S/C12H22N2O2/c15-10-14-5-1-11(2-6-14)9-13-7-3-12(16)4-8-13/h10-12,16H,1-9H2","HTKXTPZEWSDSSD-UHFFFAOYSA-N"
"1426","O=CN1CCC(CN2CCC[C@@H](F)C2)CC1","[R1][C@H]1CCN(C[C@@H]1F)CC2CCN(CC2)C(=O)[R2]","228.311","228.163791512","1.96","16","2","2","0","3","23.55","C12H21FN2O","InChI=1S/C12H21FN2O/c13-12-2-1-5-15(9-12)8-11-3-6-14(10-16)7-4-11/h10-12H,1-9H2/t12-/m1/s1","IHTUCUSBLOMNCV-GFCCVEGCSA-N"
"1427","O=C(C1CCNCC1)N1CCN(CC2=CC=CC=C2)CC1","[R1]C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)[R2]","287.407","287.19976242","1.06","21","3","3","1","3","35.58","C17H25N3O","InChI=1S/C17H25N3O/c21-17(16-6-8-18-9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-5,16,18H,6-14H2","NGOVHDBEXKOVET-UHFFFAOYSA-N"
"1428","C1=CC=C(OCCN2CCN(CC3CCNCC3)CC2)C=C1","[R1]C1=CC(=CC=C1)OCCN2CCN(CC2)CC3CCN(CC3)[R2]","303.45","303.231062548","2.06","22","3","4","1","6","27.74","C18H29N3O","InChI=1S/C18H29N3O/c1-2-4-18(5-3-1)22-15-14-20-10-12-21(13-11-20)16-17-6-8-19-9-7-17/h1-5,17,19H,6-16H2","HEOVKYPLWNOAHQ-UHFFFAOYSA-N"
"1429","C1=CC=C(OCCN2CCN(CCCC3CCNCC3)CC2)C=C1","[R1]C1=CC(=CC=C1)OCCN2CCN(CC2)CCCC3CCN(CC3)[R2]","331.504","331.262362676","2.77","24","3","4","1","8","27.74","C20H33N3O","InChI=1S/C20H33N3O/c1-2-6-20(7-3-1)24-18-17-23-15-13-22(14-16-23)12-4-5-19-8-10-21-11-9-19/h1-3,6-7,19,21H,4-5,8-18H2","VGYFMQJHLURJMM-UHFFFAOYSA-N"
"1430","CN1CCN(C(=O)CN2CCCCC2)CC1","[R1]CN1CCN(CC1)C(=O)CN2CCC(CC2)[R2]","225.336","225.184112356","0.45","16","2","3","0","2","26.79","C12H23N3O","InChI=1S/C12H23N3O/c1-13-7-9-15(10-8-13)12(16)11-14-5-3-2-4-6-14/h2-11H2,1H3","WTRFOKVBFWTENW-UHFFFAOYSA-N"
"1431","O=CN1CCC(C(=O)N2CCNCC2)CC1","[R1]C(=O)N1CCC(CC1)C(=O)N2CCN(CC2)[R2]","225.292","225.147726848","-0.42","16","2","3","1","2","52.65","C11H19N3O2","InChI=1S/C11H19N3O2/c15-9-13-5-1-10(2-6-13)11(16)14-7-3-12-4-8-14/h9-10,12H,1-8H2","SEPDEZFALIXPAK-UHFFFAOYSA-N"
"1432","CCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC[R2]","156.229","156.126263132","-0.1","11","1","2","1","2","32.34","C8H16N2O","InChI=1S/C8H16N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h9H,2-7H2,1H3","OGQQJMSDOICEAR-UHFFFAOYSA-N"
"1433","O=C(C1CCC1)N1CCNCC1","[R1]N1CCN(CC1)C(=O)[C@H]2C[C@@H](C2)[R2]","168.24","168.126263132","0.07","12","2","2","1","1","32.34","C9H16N2O","InChI=1S/C9H16N2O/c12-9(8-2-1-3-8)11-6-4-10-5-7-11/h8,10H,1-7H2","FKHMNODTEFBVPC-UHFFFAOYSA-N"
"1434","O=C(CCCO)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCO[R2]","172.228","172.121177752","-1.33","12","1","3","2","3","52.57","C8H16N2O2","InChI=1S/C8H16N2O2/c11-7-1-2-8(12)10-5-3-9-4-6-10/h9,11H,1-7H2","JHEUDLTVPYXXSZ-UHFFFAOYSA-N"
"1435","O=CCCCCCC=O","[R1]C(=O)CCCCCC(=O)[R2]","128.171","128.083729624","0.35","9","0","2","0","6","34.14","C7H12O2","InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7-9/h6-7H,1-5H2","OOLBRPUFHUSCOS-UHFFFAOYSA-N"
"1436","O=CCCCCCCCC=O","[R1]C(=O)CCCCCCCC(=O)[R2]","156.225","156.115029752","1.43","11","0","2","0","8","34.14","C9H16O2","InChI=1S/C9H16O2/c10-8-6-4-2-1-3-5-7-9-11/h8-9H,1-7H2","LEMKWEBKVMWZDU-UHFFFAOYSA-N"
"1437","O=CCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCC(=O)[R2]","184.279","184.14632988","2.52","13","0","2","0","10","34.14","C11H20O2","InChI=1S/C11H20O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h10-11H,1-9H2","SQWWBKIIYGLKHE-UHFFFAOYSA-N"
"1438","O=CCCCCCCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCCCCCC(=O)[R2]","254.414","254.2245802","5.22","18","0","2","0","15","34.14","C16H30O2","InChI=1S/C16H30O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h15-16H,1-14H2","SUERZLMUVNQECE-UHFFFAOYSA-N"
"1439","O=CCOCCOCC=O","[R1]C(=O)COCCOCC(=O)[R2]","146.142","146.0579088","-1.01","10","0","4","0","7","52.6","C6H10O4","InChI=1S/C6H10O4/c7-1-3-9-5-6-10-4-2-8/h1-2H,3-6H2","WMXAIPYZCCUWGW-UHFFFAOYSA-N"
"1440","O=CCOCCOCCOCC=O","[R1]C(=O)COCCOCCOCC(=O)[R2]","190.195","190.084123548","-1.16","13","0","5","0","10","61.83","C8H14O5","InChI=1S/C8H14O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-2H,3-8H2","QWCKYSJSASSVOR-UHFFFAOYSA-N"
"1441","CC(=O)NCCOCCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCCOCCNC(=O)C[R2]","276.333","276.168521868","-1.59","19","0","5","2","12","85.89","C12H24N2O5","InChI=1S/C12H24N2O5/c1-11(15)13-3-5-17-7-9-19-10-8-18-6-4-14-12(2)16/h3-10H2,1-2H3,(H,13,15)(H,14,16)","XUECOPFDLIRMMC-UHFFFAOYSA-N"
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"1446","CCOCCOCCOCCOCCC=O","[R1]CCOCCOCCOCCOCCC(=O)[R2]","234.292","234.146723804","-0.56","16","0","5","0","13","53.99","C11H22O5","InChI=1S/C11H22O5/c1-2-13-6-7-15-10-11-16-9-8-14-5-3-4-12/h4H,2-3,5-11H2,1H3","QNYDWCLUZIEJKP-UHFFFAOYSA-N"
"1447","CCOCCOCCOCCOCCOCCC=O","[R1]CCOCCOCCOCCOCCOCCC(=O)[R2]","278.345","278.172938552","-0.71","19","0","6","0","16","63.22","C13H26O6","InChI=1S/C13H26O6/c1-2-15-6-7-17-10-11-19-13-12-18-9-8-16-5-3-4-14/h4H,2-3,5-13H2,1H3","XYLCAEDVEIYMPO-UHFFFAOYSA-N"
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"1456","CCOCCOCCOC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCCOCCOCC[R2]","210.273","210.125594436","1.96","15","1","3","0","8","27.69","C12H18O3","InChI=1S/C12H18O3/c1-2-13-8-9-14-10-11-15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3","VOLUQLBPFZVGEH-UHFFFAOYSA-N"
"1457","CCOCCOCCOCCOC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCCOCCOCCOCC[R2]","254.326","254.151809184","1.82","18","1","4","0","11","36.92","C14H22O4","InChI=1S/C14H22O4/c1-2-15-8-9-16-10-11-17-12-13-18-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3","BRZGDLWUKLYQCD-UHFFFAOYSA-N"
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"1459","CCCCCCCCOC1=CC=CC=C1","[R1]C1=CC=C(C=C1)OCCCCCCCC[R2]","206.329","206.167065324","5.31","15","1","1","0","8","9.23","C14H22O","InChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3","ZPIRTVJRHUMMOI-UHFFFAOYSA-N"
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"1463","CCCCCC(=O)N1CCCCC1","[R1]C1CCN(CC1)C(=O)CCCCC[R2]","183.295","183.162314292","2.48","13","1","1","0","4","20.31","C11H21NO","InChI=1S/C11H21NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h2-10H2,1H3","WQQIRPPFBDVVLP-UHFFFAOYSA-N"
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"1469","CCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCC[R2]","243.307","243.158291532","0.07","17","1","6","0","11","58.4","C11H21N3O3","InChI=1S/C11H21N3O3/c1-2-6-15-8-10-17-11-9-16-7-5-14-4-3-12-13-14/h3-4H,2,5-11H2,1H3","XDEMQBZXYDKQNH-UHFFFAOYSA-N"
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"1472","CCOCCOCCOCCOCCOCCOCCOCCNC(=O)CC","[R1]CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCC[R2]","409.52","409.267567208","-0.66","28","0","8","1","23","93.71","C19H39NO8","InChI=1S/C19H39NO8/c1-3-19(21)20-5-6-23-9-10-25-13-14-27-17-18-28-16-15-26-12-11-24-8-7-22-4-2/h3-18H2,1-2H3,(H,20,21)","ZJSDLLRSPUDBCH-UHFFFAOYSA-N"
"1473","CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CC","[R1]CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC[R2]","585.732","585.3724262","-1.25","40","0","12","1","35","130.63","C27H55NO12","InChI=1S/C27H55NO12/c1-3-27(29)28-5-6-31-9-10-33-13-14-35-17-18-37-21-22-39-25-26-40-24-23-38-20-19-36-16-15-34-12-11-32-8-7-30-4-2/h3-26H2,1-2H3,(H,28,29)","IDCIBQWHZGOYAP-UHFFFAOYSA-N"
"1474","CCC(=O)NCCOCCOCCO","[R1]CCC(=O)NCCOCCOCCO[R2]","205.254","205.131408088","-0.97","14","0","4","2","9","67.79","C9H19NO4","InChI=1S/C9H19NO4/c1-2-9(12)10-3-5-13-7-8-14-6-4-11/h11H,2-8H2,1H3,(H,10,12)","UABBJPGPIYYHGA-UHFFFAOYSA-N"
"1475","CCC(=O)NCCOCCOCCOCCOCCO","[R1]CCC(=O)NCCOCCOCCOCCOCCO[R2]","293.36","293.183837584","-1.26","20","0","6","2","15","86.25","C13H27NO6","InChI=1S/C13H27NO6/c1-2-13(16)14-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h15H,2-12H2,1H3,(H,14,16)","VMGKROGENZQUQD-UHFFFAOYSA-N"
"1476","CCC(=O)NCCCCCO","[R1]CCC(=O)NCCCCCO[R2]","159.229","159.125928784","0.4","11","0","2","2","6","49.33","C8H17NO2","InChI=1S/C8H17NO2/c1-2-8(11)9-6-4-3-5-7-10/h10H,2-7H2,1H3,(H,9,11)","XLDJCWVDWBGJSZ-UHFFFAOYSA-N"
"1477","CCC(=O)NCCCCCCO","[R1]CCC(=O)NCCCCCCO[R2]","173.256","173.141578848","0.76","12","0","2","2","7","49.33","C9H19NO2","InChI=1S/C9H19NO2/c1-2-9(12)10-7-5-3-4-6-8-11/h11H,2-8H2,1H3,(H,10,12)","LXPRXOIXRHBOIR-UHFFFAOYSA-N"
"1478","CCOCCOCCOCCOCCOCCOCCNC(=O)CC","[R1]CCC(=O)NCCOCCOCCOCCOCCOCCOCC[R2]","365.467","365.24135246","-0.51","25","0","7","1","20","84.48","C17H35NO7","InChI=1S/C17H35NO7/c1-3-17(19)18-5-6-21-9-10-23-13-14-25-16-15-24-12-11-22-8-7-20-4-2/h3-16H2,1-2H3,(H,18,19)","RLBZSWBTZUSAPN-UHFFFAOYSA-N"
"1479","COCCOCCOCCOCCOCCN","[R1]NCCOCCOCCOCCOCCOC[R2]","251.323","251.1732729","-1.45","17","0","6","1","14","72.17","C11H25NO5","InChI=1S/C11H25NO5/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h2-12H2,1H3","WGQYVGMCDPUCEJ-UHFFFAOYSA-N"
"1480","COCCOCCOCCOCCOCCOCCN","[R1]NCCOCCOCCOCCOCCOCCOC[R2]","295.376","295.199487648","-1.6","20","0","7","1","17","81.4","C13H29NO6","InChI=1S/C13H29NO6/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h2-14H2,1H3","JDTWBXXBTWYNAT-UHFFFAOYSA-N"
"1481","NCCOCCOCCOCCOCCOCC=O","[R1]NCCOCCOCCOCCOCCOCC(=O)[R2]","279.333","279.16818752","-1.92","19","0","7","1","16","89.24","C12H25NO6","InChI=1S/C12H25NO6/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h2H,1,3-13H2","PSAYHNKSSDKZJT-UHFFFAOYSA-N"
"1482","CCCC(=O)N1CCN(C)CC1","[R1]CN1CCN(CC1)C(=O)CCC[R2]","170.256","170.141913196","0.36","12","1","2","0","2","23.55","C9H18N2O","InChI=1S/C9H18N2O/c1-3-4-9(12)11-7-5-10(2)6-8-11/h3-8H2,1-2H3","KZGIXRKCQDHVIX-UHFFFAOYSA-N"
"1483","CCCCC(=O)N1CCN(C)CC1","[R1]CN1CCN(CC1)C(=O)CCCC[R2]","184.283","184.15756326","0.9","13","1","2","0","3","23.55","C10H20N2O","InChI=1S/C10H20N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-9H2,1-2H3","JDNGEKSTTQZLHP-UHFFFAOYSA-N"
"1484","CCCCCC(=O)N1CCN(C)CC1","[R1]CN1CCN(CC1)C(=O)CCCCC[R2]","198.31","198.173213324","1.45","14","1","2","0","4","23.55","C11H22N2O","InChI=1S/C11H22N2O/c1-3-4-5-6-11(14)13-9-7-12(2)8-10-13/h3-10H2,1-2H3","TUBDWOUHWWRXLI-UHFFFAOYSA-N"
"1485","CCCCCCC(=O)N1CCN(C)CC1","[R1]CN1CCN(CC1)C(=O)CCCCCC[R2]","212.337","212.188863388","1.99","15","1","2","0","5","23.55","C12H24N2O","InChI=1S/C12H24N2O/c1-3-4-5-6-7-12(15)14-10-8-13(2)9-11-14/h3-11H2,1-2H3","LIJPNRGJBFZFFR-UHFFFAOYSA-N"
"1486","CCCCCCCC(=O)N1CCN(C)CC1","[R1]CN1CCN(CC1)C(=O)CCCCCCC[R2]","226.364","226.204513452","2.53","16","1","2","0","6","23.55","C13H26N2O","InChI=1S/C13H26N2O/c1-3-4-5-6-7-8-13(16)15-11-9-14(2)10-12-15/h3-12H2,1-2H3","QXHNMHHWHZVDMC-UHFFFAOYSA-N"
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"1488","CCCCCCCCCC(=O)N1CCN(C)CC1","[R1]CN1CCN(CC1)C(=O)CCCCCCCCC[R2]","254.418","254.23581358","3.61","18","1","2","0","8","23.55","C15H30N2O","InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-9-10-15(18)17-13-11-16(2)12-14-17/h3-14H2,1-2H3","CJDQMVCGMMYXHJ-UHFFFAOYSA-N"
"1489","CCCCCNC=O","[R1]CCCCCNC(=O)[R2]","115.176","115.099714036","1.94","8","0","1","1","5","29.1","C6H13NO","InChI=1S/C6H13NO/c1-2-3-4-5-7-6-8/h6H,2-5H2,1H3,(H,7,8)","UBKOTQBYKQFINX-UHFFFAOYSA-N"
"1490","OCC1=CC=CC=C1","[R1]C1=CC=C(C=C1)CO[R2]","108.14","108.057514876","1.04","8","1","1","1","1","20.23","C7H8O","InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2","WVDDGKGOMKODPV-UHFFFAOYSA-N"
"1491","CCCOCCOCCOCCCNC(C)=O","[R1]CCCOCCOCCOCCCNC(=O)C[R2]","247.335","247.17835828","0.35","17","0","4","1","12","56.79","C12H25NO4","InChI=1S/C12H25NO4/c1-3-6-15-8-10-17-11-9-16-7-4-5-13-12(2)14/h3-11H2,1-2H3,(H,13,14)","FCOSMYXPOFLRFY-UHFFFAOYSA-N"
"1492","CCNC(=O)CCOCCOCC","[R1]CCNC(=O)CCOCCOCC[R2]","189.255","189.136493468","-0.09","13","0","3","1","8","47.56","C9H19NO3","InChI=1S/C9H19NO3/c1-3-10-9(11)5-6-13-8-7-12-4-2/h3-8H2,1-2H3,(H,10,11)","CTXQBBHXJGXEDG-UHFFFAOYSA-N"
"1493","CCNC(=O)CCOCCOCCOCC","[R1]CCNC(=O)CCOCCOCCOCC[R2]","233.308","233.162708216","-0.23","16","0","4","1","11","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-3-12-11(13)5-6-15-9-10-16-8-7-14-4-2/h3-10H2,1-2H3,(H,12,13)","ICQGCPXKSFJHNM-UHFFFAOYSA-N"
"1494","CCNC(=O)CCOCCOCCOCCOCC","[R1]CCNC(=O)CCOCCOCCOCCOCC[R2]","277.361","277.188922964","-0.38","19","0","5","1","14","66.02","C13H27NO5","InChI=1S/C13H27NO5/c1-3-14-13(15)5-6-17-9-10-19-12-11-18-8-7-16-4-2/h3-12H2,1-2H3,(H,14,15)","AXBGCWYUTZNHJG-UHFFFAOYSA-N"
"1495","CCNC(=O)CCOCCOCCOCCOCCOCC","[R1]CCNC(=O)CCOCCOCCOCCOCCOCC[R2]","321.414","321.215137712","-0.53","22","0","6","1","17","75.25","C15H31NO6","InChI=1S/C15H31NO6/c1-3-16-15(17)5-6-19-9-10-21-13-14-22-12-11-20-8-7-18-4-2/h3-14H2,1-2H3,(H,16,17)","FAEGTEMRYADLQP-UHFFFAOYSA-N"
"1496","CCCCCCCCCC(=O)NCC","[R1]CCNC(=O)CCCCCCCCC[R2]","199.338","199.19361442","3.98","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-5-6-7-8-9-10-11-12(14)13-4-2/h3-11H2,1-2H3,(H,13,14)","VXUAXBGDCYWTME-UHFFFAOYSA-N"
"1497","CNC=O","[R1]C(=O)NC[R2]","59.068","59.03711378","0.14","4","0","1","1","1","29.1","C2H5NO","InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","ATHHXGZTWNVVOU-UHFFFAOYSA-N"
"1498","CC(=O)NCCOCCN","[R1]NCCOCCNC(=O)C[R2]","146.19","146.105527688","-1.55","10","0","3","2","5","64.35","C6H14N2O2","InChI=1S/C6H14N2O2/c1-6(9)8-3-5-10-4-2-7/h2-5,7H2,1H3,(H,8,9)","FTRPSIHVAGFJMU-UHFFFAOYSA-N"
"1499","CC(=O)NCCCCCN","[R1]NCCCCCNC(=O)C[R2]","144.218","144.126263132","-0.33","10","0","2","2","5","55.12","C7H16N2O","InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)","RMOIHHAKNOFHOE-UHFFFAOYSA-N"
"1500","CC(=O)NCCOCCOCCOCCN","[R1]NCCOCCOCCOCCNC(=O)C[R2]","234.296","234.157957184","-1.84","16","0","5","2","11","82.81","C10H22N2O4","InChI=1S/C10H22N2O4/c1-10(13)12-3-5-15-7-9-16-8-6-14-4-2-11/h2-9,11H2,1H3,(H,12,13)","XGZGUFMIIFCEPB-UHFFFAOYSA-N"
"1501","CC(=O)NCCOCCOCCOCCOCCN","[R1]NCCOCCOCCOCCOCCNC(=O)C[R2]","278.349","278.184171932","-1.99","19","0","6","2","14","92.04","C12H26N2O5","InChI=1S/C12H26N2O5/c1-12(15)14-3-5-17-7-9-19-11-10-18-8-6-16-4-2-13/h2-11,13H2,1H3,(H,14,15)","HGWFPUKHDRKULG-UHFFFAOYSA-N"
"1502","CCCCCNC(=O)CCCC","[R1]CCCC(=O)NCCCC[R2]","171.284","171.162314292","2.7","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-5-7-9-11-10(12)8-6-4-2/h3-9H2,1-2H3,(H,11,12)","VRJGSJUEIPBQIS-UHFFFAOYSA-N"
"1503","CCCCCCCCCNC(=O)CCCC","[R1]CCCC(=O)NCCCCCCCC[R2]","227.392","227.224914548","4.87","16","0","1","1","11","29.1","C14H29NO","InChI=1S/C14H29NO/c1-3-5-7-8-9-10-11-13-15-14(16)12-6-4-2/h3-13H2,1-2H3,(H,15,16)","GOMQAPPROMGMME-UHFFFAOYSA-N"
"1504","CCCCC(=O)NCCOCCOCCOCCOCC","[R1]CCCC(=O)NCCOCCOCCOCCOC[R2]","305.415","305.220223092","0.69","21","0","5","1","16","66.02","C15H31NO5","InChI=1S/C15H31NO5/c1-3-5-6-15(17)16-7-8-19-11-12-21-14-13-20-10-9-18-4-2/h3-14H2,1-2H3,(H,16,17)","AQKDOPAYKQCGSG-UHFFFAOYSA-N"
"1505","CCCCC(=O)NCCOCCOCCOCCOCCOCC","[R1]CCCC(=O)NCCOCCOCCOCCOCCOC[R2]","349.468","349.24643784","0.54","24","0","6","1","19","75.25","C17H35NO6","InChI=1S/C17H35NO6/c1-3-5-6-17(19)18-7-8-21-11-12-23-15-16-24-14-13-22-10-9-20-4-2/h3-16H2,1-2H3,(H,18,19)","HHTNTGCSPWQHCR-UHFFFAOYSA-N"
"1506","CCCCCCCCCCNC(=O)CCCC","[R1]CCCC(=O)NCCCCCCCCC[R2]","241.419","241.240564612","5.41","17","0","1","1","12","29.1","C15H31NO","InChI=1S/C15H31NO/c1-3-5-7-8-9-10-11-12-14-16-15(17)13-6-4-2/h3-14H2,1-2H3,(H,16,17)","ZLQPWDWOYAYCIV-UHFFFAOYSA-N"
"1507","CCCCCCCN1CCN(C(=O)CCCC)CC1","[R1]CCCC(=O)N1CCN(CC1)CCCCCC[R2]","268.445","268.251463644","3.78","19","1","2","0","9","23.55","C16H32N2O","InChI=1S/C16H32N2O/c1-3-5-7-8-9-11-17-12-14-18(15-13-17)16(19)10-6-4-2/h3-15H2,1-2H3","ANMRFUOTZRZQRO-UHFFFAOYSA-N"
"1508","CCCCCCCCN1CCN(C(=O)CCCC)CC1","[R1]CCCC(=O)N1CCN(CC1)CCCCCCC[R2]","282.472","282.267113708","4.32","20","1","2","0","10","23.55","C17H34N2O","InChI=1S/C17H34N2O/c1-3-5-7-8-9-10-12-18-13-15-19(16-14-18)17(20)11-6-4-2/h3-16H2,1-2H3","WMFPYPAIIXHHBG-UHFFFAOYSA-N"
"1509","CCCCCCCCCN1CCN(C(=O)CCCC)CC1","[R1]CCCC(=O)N1CCN(CC1)CCCCCCCC[R2]","296.499","296.282763772","4.86","21","1","2","0","11","23.55","C18H36N2O","InChI=1S/C18H36N2O/c1-3-5-7-8-9-10-11-13-19-14-16-20(17-15-19)18(21)12-6-4-2/h3-17H2,1-2H3","DAMJZZJBXIUEES-UHFFFAOYSA-N"
"1510","CCCCCCCCCCN1CCN(C(=O)CCCC)CC1","[R1]CCCCC(=O)N1CCN(CC1)CCCCCCCCCC[R2]","310.526","310.298413836","5.4","22","1","2","0","12","23.55","C19H38N2O","InChI=1S/C19H38N2O/c1-3-5-7-8-9-10-11-12-14-20-15-17-21(18-16-20)19(22)13-6-4-2/h3-18H2,1-2H3","UUOVTBGLYRBHCL-UHFFFAOYSA-N"
"1511","CCOCCOCCOCCNC(=O)CO","[R1]COCCOCCOCCNC(=O)CO[R2]","235.28","235.141972772","-1.56","16","0","5","2","11","77.02","C10H21NO5","InChI=1S/C10H21NO5/c1-2-14-5-6-16-8-7-15-4-3-11-10(13)9-12/h12H,2-9H2,1H3,(H,11,13)","HQTQBLVLNRHRPZ-UHFFFAOYSA-N"
"1512","CCOCCOCCOCCOCCNC(=O)CO","[R1]COCCOCCOCCOCCNC(=O)CO[R2]","279.333","279.16818752","-1.34","19","0","6","2","14","86.25","C12H25NO6","InChI=1S/C12H25NO6/c1-2-16-5-6-18-9-10-19-8-7-17-4-3-13-12(15)11-14/h14H,2-11H2,1H3,(H,13,15)","NUHSPVQXOVPPHQ-UHFFFAOYSA-N"
"1513","OCCCCO","[R1]OCCCCO[R2]","90.122","90.06807956","-0.43","6","0","2","2","3","40.46","C4H10O2","InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","WERYXYBDKMZEQL-UHFFFAOYSA-N"
"1514","OCCCCCCO","[R1]OCCCCCCO[R2]","118.176","118.099379688","0.29","8","0","2","2","5","40.46","C6H14O2","InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2","XXMIOPMDWAUFGU-UHFFFAOYSA-N"
"1515","OCCCCCCCCO","[R1]OCCCCCCCCO[R2]","146.23","146.130679816","1.37","10","0","2","2","7","40.46","C8H18O2","InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2","OEIJHBUUFURJLI-UHFFFAOYSA-N"
"1516","CNCCN(C)CCCCCCO","[R1]OCCCCCCN(C)CCN([R2])C","188.315","188.188863388","0.58","13","0","3","2","9","35.5","C10H24N2O","InChI=1S/C10H24N2O/c1-11-7-9-12(2)8-5-3-4-6-10-13/h11,13H,3-10H2,1-2H3","JQCQIELAQNFSLP-UHFFFAOYSA-N"
"1517","CCOCCOCCOCCC(N)=O","[R1]CCOCCOCCOCCC(=O)N[R2]","205.254","205.131408088","-1","14","0","4","1","10","70.78","C9H19NO4","InChI=1S/C9H19NO4/c1-2-12-5-6-14-8-7-13-4-3-9(10)11/h2-8H2,1H3,(H2,10,11)","KBGHTAXKKMRSJX-UHFFFAOYSA-N"
"1518","CCOCCOCCOCCC(=O)N(C)CCNC","[R1]CCOCCOCCOCCC(=O)N(C)CCN([R2])C","276.377","276.204907376","-0.85","19","0","5","1","13","60.03","C13H28N2O4","InChI=1S/C13H28N2O4/c1-4-17-9-10-19-12-11-18-8-5-13(16)15(3)7-6-14-2/h14H,4-12H2,1-3H3","SQWDVAVRAHZFBK-UHFFFAOYSA-N"
"1519","COCCCCCCO","[R1]COCCCCCCO[R2]","132.203","132.115029752","0.82","9","0","2","1","6","29.46","C7H16O2","InChI=1S/C7H16O2/c1-9-7-5-3-2-4-6-8/h8H,2-7H2,1H3","CROLBRYGLOVQCD-UHFFFAOYSA-N"
"1520","CCOCCCCCCO","[R1]CCOCCCCCCO[R2]","146.23","146.130679816","1.19","10","0","2","1","7","29.46","C8H18O2","InChI=1S/C8H18O2/c1-2-10-8-6-4-3-5-7-9/h9H,2-8H2,1H3","GTAZGFNDWFFGKW-UHFFFAOYSA-N"
"1521","CCC(=O)N(C)CCNC","[R1]CCC(=O)N(C)CCN([R2])C","144.218","144.126263132","-0.24","10","0","2","1","4","32.34","C7H16N2O","InChI=1S/C7H16N2O/c1-4-7(10)9(3)6-5-8-2/h8H,4-6H2,1-3H3","AUCZYUIGCSQWJJ-UHFFFAOYSA-N"
"1522","CCC(=O)NCCCC(N)=O","[R1]CCC(=O)NCCCC(=O)N[R2]","158.201","158.105527688","-0.78","11","0","2","2","5","72.19","C7H14N2O2","InChI=1S/C7H14N2O2/c1-2-7(11)9-5-3-4-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)","IAMXXQKNVDBOTC-UHFFFAOYSA-N"
"1523","CCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCC[R2]","125.175","125.095297352","0.92","9","1","3","0","2","30.71","C6H11N3","InChI=1S/C6H11N3/c1-3-4-9-5-6(2)7-8-9/h5H,3-4H2,1-2H3","ZXLSJRXUAOMZTI-UHFFFAOYSA-N"
"1524","CCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CC[R2]","111.148","111.079647288","0.39","8","1","3","0","1","30.71","C5H9N3","InChI=1S/C5H9N3/c1-3-8-4-5(2)6-7-8/h4H,3H2,1-2H3","MJIOJWXRXDWUBV-UHFFFAOYSA-N"
"1525","CCCN1C=C(CC)N=N1","[R1]CCC1=CN(N=N1)CCC[R2]","139.202","139.110947416","1.35","10","1","3","0","3","30.71","C7H13N3","InChI=1S/C7H13N3/c1-3-5-10-6-7(4-2)8-9-10/h6H,3-5H2,1-2H3","WUCYJZLMCVRBSQ-UHFFFAOYSA-N"
"1526","CCCCCNC(=O)COC1=C(OC)C=C(N)C=C1OC","[R1]CCCCCNC(=O)COC1=C(C=C(C=C1OC)N[R2])OC","296.367","296.173607248","2.29","21","1","5","2","9","82.81","C15H24N2O4","InChI=1S/C15H24N2O4/c1-4-5-6-7-17-14(18)10-21-15-12(19-2)8-11(16)9-13(15)20-3/h8-9H,4-7,10,16H2,1-3H3,(H,17,18)","BZMLQLKADRETGC-UHFFFAOYSA-N"
"1527","CCCOC1=CC=C(CNC(=O)CO)C=C1","[R1]OCC(=O)NCC1=CC=C(C=C1)OCCC[R2]","223.272","223.120843404","1.25","16","1","3","2","6","58.56","C12H17NO3","InChI=1S/C12H17NO3/c1-2-7-16-11-5-3-10(4-6-11)8-13-12(15)9-14/h3-6,14H,2,7-9H2,1H3,(H,13,15)","HEYOAGXSAHGAMC-UHFFFAOYSA-N"
"1528","CCCOC1=CC=C(CCNC(=O)CO)C=C1","[R1]OCC(=O)NCCC1=CC=C(C=C1)OCCC[R2]","237.299","237.136493468","1.71","17","1","3","2","7","58.56","C13H19NO3","InChI=1S/C13H19NO3/c1-2-9-17-12-5-3-11(4-6-12)7-8-14-13(16)10-15/h3-6,15H,2,7-10H2,1H3,(H,14,16)","IGESEQLZUCGUEW-UHFFFAOYSA-N"
"1529","CCCCOC1=CC=C(CCNC(=O)CO)C=C1","[R1]OCC(=O)NCCC1=CC=C(C=C1)OCCCC[R2]","251.326","251.152143532","2.07","18","1","3","2","8","58.56","C14H21NO3","InChI=1S/C14H21NO3/c1-2-3-10-18-13-6-4-12(5-7-13)8-9-15-14(17)11-16/h4-7,16H,2-3,8-11H2,1H3,(H,15,17)","ASVMFIYARYRVTB-UHFFFAOYSA-N"
"1530","CCCCCOC1=CC=C(CCNC(=O)CO)C=C1","[R1]OCC(=O)NCCC1=CC=C(C=C1)OCCCCC[R2]","265.353","265.167793596","2.61","19","1","3","2","9","58.56","C15H23NO3","InChI=1S/C15H23NO3/c1-2-3-4-11-19-14-7-5-13(6-8-14)9-10-16-15(18)12-17/h5-8,17H,2-4,9-12H2,1H3,(H,16,18)","UQUUVWQYZLKELE-UHFFFAOYSA-N"
"1531","CCCCCCOC1=CC=C(CCNC(=O)CO)C=C1","[R1]OCC(=O)NCCC1=CC=C(C=C1)OCCCCCC[R2]","279.38","279.18344366","3.15","20","1","3","2","10","58.56","C16H25NO3","InChI=1S/C16H25NO3/c1-2-3-4-5-12-20-15-8-6-14(7-9-15)10-11-17-16(19)13-18/h6-9,18H,2-5,10-13H2,1H3,(H,17,19)","SFTHPMDDDGGSLL-UHFFFAOYSA-N"
"1532","CN1CCN(CC2CCN(C(=O)CO)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCN(CC2)C[R2]","255.362","255.19467704","-0.34","18","2","4","1","3","47.02","C13H25N3O2","InChI=1S/C13H25N3O2/c1-14-6-8-15(9-7-14)10-12-2-4-16(5-3-12)13(18)11-17/h12,17H,2-11H2,1H3","YOTKFIDDLJIKAJ-UHFFFAOYSA-N"
"1533","CN1CCN(CC2CCN(CC3CCN(C(=O)CO)CC3)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)C[R2]","352.523","352.283826392","0.45","25","3","5","1","5","50.26","C19H36N4O2","InChI=1S/C19H36N4O2/c1-20-10-12-22(13-11-20)15-17-2-6-21(7-3-17)14-18-4-8-23(9-5-18)19(25)16-24/h17-18,24H,2-16H2,1H3","CIJMBBZUHFYLIB-UHFFFAOYSA-N"
"1534","CN1CCN(CC2CCN(CC3CCN(C=O)CC3)CC2)CC1","[R1]C(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)C[R2]","322.497","322.273261708","1.66","23","3","4","0","5","30.03","C18H34N4O","InChI=1S/C18H34N4O/c1-19-10-12-21(13-11-19)15-17-2-6-20(7-3-17)14-18-4-8-22(16-23)9-5-18/h16-18H,2-15H2,1H3","UPSDAOGZPQAMHL-UHFFFAOYSA-N"
"1535","CC(=O)N1CCC(CN2CCC(CN3CCN(C)CC3)CC2)CC1","[R1]CC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)C[R2]","336.524","336.288911772","1.1","24","3","4","0","4","30.03","C19H36N4O","InChI=1S/C19H36N4O/c1-17(24)23-9-5-19(6-10-23)15-21-7-3-18(4-8-21)16-22-13-11-20(2)12-14-22/h18-19H,3-16H2,1-2H3","PGJQISNQNVPDRP-UHFFFAOYSA-N"
"1536","CCC(=O)N1CCC(CN2CCC(CN3CCN(C)CC3)CC2)CC1","[R1]CCC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)C[R2]","350.551","350.304561836","1.57","25","3","4","0","5","30.03","C20H38N4O","InChI=1S/C20H38N4O/c1-3-20(25)24-10-6-19(7-11-24)16-22-8-4-18(5-9-22)17-23-14-12-21(2)13-15-23/h18-19H,3-17H2,1-2H3","VEDIJJAIHXGZTM-UHFFFAOYSA-N"
"1537","O=CCCCCNC(=O)CO","[R1]OCC(=O)NCCCCC(=O)[R2]","159.185","159.089543276","-0.96","11","0","3","2","6","66.4","C7H13NO3","InChI=1S/C7H13NO3/c9-5-3-1-2-4-8-7(11)6-10/h5,10H,1-4,6H2,(H,8,11)","IVIZOKCONYVIRG-UHFFFAOYSA-N"
"1538","CC1CCNCC1","[R1]N1CCC(CC1)C[R2]","99.177","99.104799416","1.08","7","1","1","1","0","12.03","C6H13N","InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3","UZOFELREXGAFOI-UHFFFAOYSA-N"
"1539","CCC1CCNCC1","[R1]N1CCC(CC1)CC[R2]","113.204","113.12044948","1.62","8","1","1","1","1","12.03","C7H15N","InChI=1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3","KWHPWBXOLZTZMJ-UHFFFAOYSA-N"
"1540","C1CNC1","[R1]N1CC(C1)[R2]","57.096","57.057849224","-0.07","4","1","1","1","0","12.03","C3H7N","InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2","HONIICLYMWZJFZ-UHFFFAOYSA-N"
"1541","CC1CNC1","[R1]N1CC(C1)C[R2]","71.123","71.073499288","0.36","5","1","1","1","0","12.03","C4H9N","InChI=1S/C4H9N/c1-4-2-5-3-4/h4-5H,2-3H2,1H3","HTHMVKNHGOVITA-UHFFFAOYSA-N"
"1542","CC1(F)CCNCC1","[R1]N1CCC(CC1)(C[R2])F","117.167","117.095377604","0.88","8","1","1","1","0","12.03","C6H12FN","InChI=1S/C6H12FN/c1-6(7)2-4-8-5-3-6/h8H,2-5H2,1H3","JLXVITLYWGUPQP-UHFFFAOYSA-N"
"1543","COC1(C)CCNCC1","[R1]N1CCC(CC1)(C[R2])OC","129.203","129.1153641","0.39","9","1","2","1","1","21.26","C7H15NO","InChI=1S/C7H15NO/c1-7(9-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3","NHVNKCKANZAOOC-UHFFFAOYSA-N"
"1544","CC1(C)CCNCC1","[R1]N1CCC(CC1)(C)C[R2]","113.204","113.12044948","1.47","8","1","1","1","0","12.03","C7H15N","InChI=1S/C7H15N/c1-7(2)3-5-8-6-4-7/h8H,3-6H2,1-2H3","IECMOFZIMWVOAS-UHFFFAOYSA-N"
"1545","CC1(O)CCNCC1","[R1]N1CCC(CC1)(C[R2])O","115.176","115.099714036","-0.15","8","1","2","2","0","32.26","C6H13NO","InChI=1S/C6H13NO/c1-6(8)2-4-7-5-3-6/h7-8H,2-5H2,1H3","CXBLQEIODBBSQD-UHFFFAOYSA-N"
"1546","O=CCCCCCCCO","[R1]C(=O)CCCCCCCO[R2]","144.214","144.115029752","1.13","10","0","2","1","7","37.3","C8H16O2","InChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8-10/h7,10H,1-6,8H2","KXUYLUMVUPFPKD-UHFFFAOYSA-N"
"1547","O=CCCCCCCCCCO","[R1]C(=O)CCCCCCCCCO[R2]","172.268","172.14632988","2.21","12","0","2","1","9","37.3","C10H20O2","InChI=1S/C10H20O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9,12H,1-8,10H2","DCZAVTGNGIDZGP-UHFFFAOYSA-N"
"1548","NCC=O","[R1]C(=O)CN[R2]","59.068","59.03711378","-1.18","4","0","2","1","1","43.09","C2H5NO","InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2","LYIIBVSRGJSHAV-UHFFFAOYSA-N"
"1549","CC1CCNCC1","[R1]CC1CCN(CC1)[R2]","99.177","99.104799416","1.08","7","1","1","1","0","12.03","C6H13N","InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3","UZOFELREXGAFOI-UHFFFAOYSA-N"
"1550","O=CC1CCNCC1","[R1]C(=O)C1CCN(CC1)[R2]","113.16","113.084063972","-0.25","8","1","2","1","1","29.1","C6H11NO","InChI=1S/C6H11NO/c8-5-6-1-3-7-4-2-6/h5-7H,1-4H2","HRVXPXCISZSDCC-UHFFFAOYSA-N"
"1551","CCC1CCNCC1","[R1]CCC1CCN(CC1)[R2]","113.204","113.12044948","1.62","8","1","1","1","1","12.03","C7H15N","InChI=1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3","KWHPWBXOLZTZMJ-UHFFFAOYSA-N"
"1552","NCC1CCN(C(=O)CO)CC1","[R1]NCC1CCN(CC1)C(=O)CO[R2]","172.228","172.121177752","-1.13","12","1","3","2","2","66.56","C8H16N2O2","InChI=1S/C8H16N2O2/c9-5-7-1-3-10(4-2-7)8(12)6-11/h7,11H,1-6,9H2","BLCJIPFIZZVKER-UHFFFAOYSA-N"
"1553","NCCCCCCCCCCCNC(=O)CO","[R1]NCCCCCCCCCCCNC(=O)CO[R2]","244.379","244.215078136","2.08","17","0","3","3","12","75.35","C13H28N2O2","InChI=1S/C13H28N2O2/c14-10-8-6-4-2-1-3-5-7-9-11-15-13(17)12-16/h16H,1-12,14H2,(H,15,17)","SCFAJBDGRMFJAS-UHFFFAOYSA-N"
"1554","NC1CCN(C(=O)CO)CC1","[R1]NC1CCN(CC1)C(=O)CO[R2]","158.201","158.105527688","-1.32","11","1","3","2","1","66.56","C7H14N2O2","InChI=1S/C7H14N2O2/c8-6-1-3-9(4-2-6)7(11)5-10/h6,10H,1-5,8H2","XOMJXGKEJVCZEO-UHFFFAOYSA-N"
"1555","CCCC1CCNCC1","[R1]N1CCC(CC1)CCC[R2]","127.231","127.136099544","2.16","9","1","1","1","2","12.03","C8H17N","InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3","RQGBFVLTFYRYKB-UHFFFAOYSA-N"
"1556","CCCCC1CCNCC1","[R1]N1CCC(CC1)CCCC[R2]","141.258","141.151749608","2.7","10","1","1","1","3","12.03","C9H19N","InChI=1S/C9H19N/c1-2-3-4-9-5-7-10-8-6-9/h9-10H,2-8H2,1H3","XIQSPCJCAJVNJL-UHFFFAOYSA-N"
"1557","CCCCCC1CCNCC1","[R1]N1CCC(CC1)CCCCC[R2]","155.285","155.167399672","3.24","11","1","1","1","4","12.03","C10H21N","InChI=1S/C10H21N/c1-2-3-4-5-10-6-8-11-9-7-10/h10-11H,2-9H2,1H3","DYRMDAAWELEIMQ-UHFFFAOYSA-N"
"1558","CCCCCCC1CCNCC1","[R1]N1CCC(CC1)CCCCCC[R2]","169.312","169.183049736","3.79","12","1","1","1","5","12.03","C11H23N","InChI=1S/C11H23N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h11-12H,2-10H2,1H3","GVMFCPOAYNENIB-UHFFFAOYSA-N"
"1559","C1CN(CC2CCNCC2)C1","[R1]N1CCC(CC1)CN2CC(C2)[R2]","154.257","154.146998576","0.71","11","2","2","1","2","15.27","C9H18N2","InChI=1S/C9H18N2/c1-6-11(7-1)8-9-2-4-10-5-3-9/h9-10H,1-8H2","BOZQIJLZVVMGFR-UHFFFAOYSA-N"
"1560","CC1CN(CC2CCNCC2)C1","[R1]N1CCC(CC1)CN2CC(C2)C[R2]","168.284","168.16264864","1.15","12","2","2","1","2","15.27","C10H20N2","InChI=1S/C10H20N2/c1-9-6-12(7-9)8-10-2-4-11-5-3-10/h9-11H,2-8H2,1H3","ZJBAFOVJYGSEDI-UHFFFAOYSA-N"
"1561","C1CCN(CC2CCNCC2)CC1","[R1]N1CCC(CC1)CN2CCC(CC2)[R2]","182.311","182.178298704","1.42","13","2","2","1","2","15.27","C11H22N2","InChI=1S/C11H22N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h11-12H,1-10H2","KQUQJHZJTWYGAQ-UHFFFAOYSA-N"
"1562","CC1CCN(CC2CCNCC2)CC1","[R1]N1CCC(CC1)CN2CCC(CC2)C[R2]","196.338","196.193948768","1.86","14","2","2","1","2","15.27","C12H24N2","InChI=1S/C12H24N2/c1-11-4-8-14(9-5-11)10-12-2-6-13-7-3-12/h11-13H,2-10H2,1H3","KLEANQMXCTYMKG-UHFFFAOYSA-N"
"1563","C1CCN(CC2CNC2)CC1","[R1]N1CC(C1)CN2CCC(CC2)[R2]","154.257","154.146998576","0.71","11","2","2","1","2","15.27","C9H18N2","InChI=1S/C9H18N2/c1-2-4-11(5-3-1)8-9-6-10-7-9/h9-10H,1-8H2","PPEXSODXXKAIIK-UHFFFAOYSA-N"
"1564","CC1CCN(CC2CNC2)CC1","[R1]N1CC(C1)CN2CCC(CC2)C[R2]","168.284","168.16264864","1.15","12","2","2","1","2","15.27","C10H20N2","InChI=1S/C10H20N2/c1-9-2-4-12(5-3-9)8-10-6-11-7-10/h9-11H,2-8H2,1H3","DUPRYRJACTVRRN-UHFFFAOYSA-N"
"1565","CC1CN(C(=O)C2CCNCC2)C1","[R1]N1CCC(CC1)C(=O)N2CC(C2)C[R2]","182.267","182.141913196","0.32","13","2","2","1","1","32.34","C10H18N2O","InChI=1S/C10H18N2O/c1-8-6-12(7-8)10(13)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3","CUSZULUPOGEULI-UHFFFAOYSA-N"
"1566","O=C(C1CCNCC1)N1CCCCC1","[R1]N1CCC(CC1)C(=O)N2CCC(CC2)[R2]","196.294","196.15756326","0.6","14","2","2","1","1","32.34","C11H20N2O","InChI=1S/C11H20N2O/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13/h10,12H,1-9H2","JFHHGGAQABVJIF-UHFFFAOYSA-N"
"1567","CC1CCN(C(=O)C2CCNCC2)CC1","[R1]N1CCC(CC1)C(=O)N2CCC(CC2)C[R2]","210.321","210.173213324","1.03","15","2","2","1","1","32.34","C12H22N2O","InChI=1S/C12H22N2O/c1-10-4-8-14(9-5-10)12(15)11-2-6-13-7-3-11/h10-11,13H,2-9H2,1H3","MDXOMBYJWBMJGY-UHFFFAOYSA-N"
"1568","O=CC1CCN(CC2CCNCC2)CC1","[R1]N1CCC(CC1)CN2CCC(CC2)C(=O)[R2]","210.321","210.173213324","0.54","15","2","3","1","3","32.34","C12H22N2O","InChI=1S/C12H22N2O/c15-10-12-3-7-14(8-4-12)9-11-1-5-13-6-2-11/h10-13H,1-9H2","QARYQLCMEKLJFA-UHFFFAOYSA-N"
"1569","CC1CCN(C(=O)C2CNC2)CC1","[R1]N1CC(C1)C(=O)N2CCC(CC2)C[R2]","182.267","182.141913196","0.32","13","2","2","1","1","32.34","C10H18N2O","InChI=1S/C10H18N2O/c1-8-2-4-12(5-3-8)10(13)9-6-11-7-9/h8-9,11H,2-7H2,1H3","YHKFVUDLWSLKDC-UHFFFAOYSA-N"
"1570","O=CC1CCN(CC2CNC2)CC1","[R1]N1CC(C1)CN2CCC(CC2)C(=O)[R2]","182.267","182.141913196","-0.18","13","2","3","1","3","32.34","C10H18N2O","InChI=1S/C10H18N2O/c13-8-9-1-3-12(4-2-9)7-10-5-11-6-10/h8-11H,1-7H2","GVRUJWDEIRHUAC-UHFFFAOYSA-N"
"1571","CC(=O)N1CC2(CNC2)C1","[R1]N1CC2(C1)CN(C2)C(=O)C[R2]","140.186","140.094963004","-1.04","10","2","2","1","0","32.34","C7H12N2O","InChI=1S/C7H12N2O/c1-6(10)9-4-7(5-9)2-8-3-7/h8H,2-5H2,1H3","RMZXKKRADUUSOZ-UHFFFAOYSA-N"
"1572","CC(=O)N1CCC2(CNC2)C1","[R1]N1CC2(C1)CCN(C2)C(=O)C[R2]","154.213","154.110613068","-0.69","11","2","2","1","0","32.34","C8H14N2O","InChI=1S/C8H14N2O/c1-7(11)10-3-2-8(6-10)4-9-5-8/h9H,2-6H2,1H3","WVMPOWXAPBHMBU-UHFFFAOYSA-N"
"1573","CC(=O)N1CC2(CCNC2)C1","[R1]N1CCC2(C1)CN(C2)C(=O)C[R2]","154.213","154.110613068","-0.69","11","2","2","1","0","32.34","C8H14N2O","InChI=1S/C8H14N2O/c1-7(11)10-5-8(6-10)2-3-9-4-8/h9H,2-6H2,1H3","GTLSMKNLBDCAOQ-UHFFFAOYSA-N"
"1574","CC(=O)N1CCC2(CC1)CNC2","[R1]N1CC2(C1)CCN(CC2)C(=O)C[R2]","168.24","168.126263132","-0.33","12","2","2","1","0","32.34","C9H16N2O","InChI=1S/C9H16N2O/c1-8(12)11-4-2-9(3-5-11)6-10-7-9/h10H,2-7H2,1H3","RJBGDSXUIAWZNV-UHFFFAOYSA-N"
"1575","CC(=O)N1CC2(CCNCC2)C1","[R1]N1CCC2(CC1)CN(C2)C(=O)C[R2]","168.24","168.126263132","-0.33","12","2","2","1","0","32.34","C9H16N2O","InChI=1S/C9H16N2O/c1-8(12)11-6-9(7-11)2-4-10-5-3-9/h10H,2-7H2,1H3","IATHMVVWXYJRSS-UHFFFAOYSA-N"
"1576","CC(=O)N1CCC2(CCNC2)CC1","[R1]N1CCC2(C1)CCN(CC2)C(=O)C[R2]","182.267","182.141913196","0.03","13","2","2","1","0","32.34","C10H18N2O","InChI=1S/C10H18N2O/c1-9(13)12-6-3-10(4-7-12)2-5-11-8-10/h11H,2-8H2,1H3","OCQZRARMEAHSFL-UHFFFAOYSA-N"
"1577","CC(=O)N1CCC2(CCNCC2)C1","[R1]N1CCC2(CC1)CCN(C2)C(=O)C[R2]","182.267","182.141913196","0.03","13","2","2","1","0","32.34","C10H18N2O","InChI=1S/C10H18N2O/c1-9(13)12-7-4-10(8-12)2-5-11-6-3-10/h11H,2-8H2,1H3","BBIOBMZWYRYMPK-UHFFFAOYSA-N"
"1578","CC(=O)N1CCC2(CCNCC2)CC1","[R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2]","196.294","196.15756326","0.39","14","2","2","1","0","32.34","C11H20N2O","InChI=1S/C11H20N2O/c1-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3","IJAGJCNXGXEORG-UHFFFAOYSA-N"
"1579","CC(=O)N1CCCC2(CCNCC2)C1","[R1]N1CCC2(CCCN(C2)C(=O)C[R2])CC1","196.294","196.15756326","0.39","14","2","2","1","0","32.34","C11H20N2O","InChI=1S/C11H20N2O/c1-10(14)13-8-2-3-11(9-13)4-6-12-7-5-11/h12H,2-9H2,1H3","LMIQQCXCHGNFHF-UHFFFAOYSA-N"
"1580","O=CCN1CCC2(CCNCC2)CC1","[R1]N1CCC2(CC1)CCN(CC2)CC(=O)[R2]","196.294","196.15756326","0.46","14","2","3","1","2","32.34","C11H20N2O","InChI=1S/C11H20N2O/c14-10-9-13-7-3-11(4-8-13)1-5-12-6-2-11/h10,12H,1-9H2","HCRNSIJSQODHGF-UHFFFAOYSA-N"
"1581","NCCNC(=O)CO","[R1]OCC(=O)NCCN[R2]","118.136","118.07422756","-2.05","8","0","3","3","3","75.35","C4H10N2O2","InChI=1S/C4H10N2O2/c5-1-2-6-4(8)3-7/h7H,1-3,5H2,(H,6,8)","IHQDUEDKOPTHNY-UHFFFAOYSA-N"
"1582","NCCNC(=O)COCCO","[R1]OCCOCC(=O)NCCN[R2]","162.189","162.100442308","-2.2","11","0","4","3","6","84.58","C6H14N2O3","InChI=1S/C6H14N2O3/c7-1-2-8-6(10)5-11-4-3-9/h9H,1-5,7H2,(H,8,10)","ORAVTVUUUXPNKU-UHFFFAOYSA-N"
"1583","CNCCNC(=O)COCCO","[R1]OCCOCC(=O)NCCN([R2])C","176.216","176.116092372","-1.69","12","0","4","3","7","70.59","C7H16N2O3","InChI=1S/C7H16N2O3/c1-8-2-3-9-7(11)6-12-5-4-10/h8,10H,2-6H2,1H3,(H,9,11)","NXNJOKUGONAEET-UHFFFAOYSA-N"
"1584","CCCOCCOCCOCC(=O)NCCN","[R1]CCCOCCOCCOCC(=O)NCCN[R2]","248.323","248.173607248","-0.92","17","0","5","2","12","82.81","C11H24N2O4","InChI=1S/C11H24N2O4/c1-2-5-15-6-7-16-8-9-17-10-11(14)13-4-3-12/h2-10,12H2,1H3,(H,13,14)","DLXSOYZGSWMDTF-UHFFFAOYSA-N"
"1585","CCCOCCOCCOCC(=O)NCCOCCOCCN","[R1]CCCOCCOCCOCC(=O)NCCOCCOCCN[R2]","336.429","336.226036744","-1.21","23","0","7","2","18","101.27","C15H32N2O6","InChI=1S/C15H32N2O6/c1-2-5-19-8-11-22-12-13-23-14-15(18)17-4-7-21-10-9-20-6-3-16/h2-14,16H2,1H3,(H,17,18)","IPZHDNHJYVHLSY-UHFFFAOYSA-N"
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"1593","CCCCCCCCC(=O)NC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)NC(=O)CCCCCCCC[R2]","261.409","261.209264484","5.43","19","1","1","1","9","29.1","C17H27NO","InChI=1S/C17H27NO/c1-3-5-6-7-8-9-10-17(19)18-16-13-11-15(4-2)12-14-16/h11-14H,3-10H2,1-2H3,(H,18,19)","IHNBTLFQFUYVIQ-UHFFFAOYSA-N"
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"1596","NCC1=CC=CC=C1","[R1]C1=CC=C(C=C1)CN[R2]","107.156","107.073499288","0.78","8","1","1","1","1","26.02","C7H9N","InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2","WGQKYBSKWIADBV-UHFFFAOYSA-N"
"1597","NC1=CC=CC=C1","[R1]C1=CC=C(C=C1)N[R2]","93.129","93.057849224","1.24","7","1","1","1","0","26.02","C6H7N","InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2","PAYRUJLWNCNPSJ-UHFFFAOYSA-N"
"1598","C1NCC12CNC2","[R1]N1CC2(C1)CN(C2)[R2]","98.149","98.08439832","-0.97","7","2","2","2","0","24.06","C5H10N2","InChI=1S/C5H10N2/c1-5(2-6-1)3-7-4-5/h6-7H,1-4H2","UDSAJFSYJMHNFI-UHFFFAOYSA-N"
"1599","N","[R1]N[R2]","17.031","17.026549096","-0.73","1","0","1","1","0","35","H3N","InChI=1S/H3N/h1H3","QGZKDVFQNNGYKY-UHFFFAOYSA-N"
"1600","NC1=CC=C(C2=CC=CC=C2)C=C1","[R1]C1=CC=C(C=C1)C2=CC=C(C=C2)N[R2]","169.227","169.089149352","2.87","13","2","1","1","1","26.02","C12H11N","InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2","DMVOXQPQNTYEKQ-UHFFFAOYSA-N"
"1601","CCCC1=CN(C)N=N1","[R1]CCCC1=CN(N=N1)C[R2]","125.175","125.095297352","0.88","9","1","3","0","2","30.71","C6H11N3","InChI=1S/C6H11N3/c1-3-4-6-5-9(2)8-7-6/h5H,3-4H2,1-2H3","ODOPEZYFKKYEKA-UHFFFAOYSA-N"
"1602","CCCCC1=CN(C)N=N1","[R1]CCCCC1=CN(N=N1)C[R2]","139.202","139.110947416","1.42","10","1","3","0","3","30.71","C7H13N3","InChI=1S/C7H13N3/c1-3-4-5-7-6-10(2)9-8-7/h6H,3-5H2,1-2H3","HWITVYWAFAQJSN-UHFFFAOYSA-N"
"1603","CCCCCC1=CN(C)N=N1","[R1]CCCCCC1=CN(N=N1)C[R2]","153.229","153.12659748","1.96","11","1","3","0","4","30.71","C8H15N3","InChI=1S/C8H15N3/c1-3-4-5-6-8-7-11(2)10-9-8/h7H,3-6H2,1-2H3","OEVAUSWHJXTQJU-UHFFFAOYSA-N"
"1604","CCCC1=CN(CCCN)N=N1","[R1]CCCC1=CN(N=N1)CCCN[R2]","168.244","168.137496512","0.23","12","1","4","1","5","56.73","C8H16N4","InChI=1S/C8H16N4/c1-2-4-8-7-12(11-10-8)6-3-5-9/h7H,2-6,9H2,1H3","BQVQGZQVLFVHHT-UHFFFAOYSA-N"
"1605","CCCCC1=CN(CCCN)N=N1","[R1]CCCCC1=CN(N=N1)CCCN[R2]","182.271","182.153146576","0.77","13","1","4","1","6","56.73","C9H18N4","InChI=1S/C9H18N4/c1-2-3-5-9-8-13(12-11-9)7-4-6-10/h8H,2-7,10H2,1H3","OTWQYIGGCSYNGO-UHFFFAOYSA-N"
"1606","CCCCCC1=CN(CCCN)N=N1","[R1]CCCCCC1=CN(N=N1)CCCN[R2]","196.298","196.16879664","1.31","14","1","4","1","7","56.73","C10H20N4","InChI=1S/C10H20N4/c1-2-3-4-6-10-9-14(13-12-10)8-5-7-11/h9H,2-8,11H2,1H3","BLTXEWRPXMKOGP-UHFFFAOYSA-N"
"1607","CCCCCCC1=CN(CCCN)N=N1","[R1]CCCCCCC1=CN(N=N1)CCCN[R2]","210.325","210.184446704","1.85","15","1","4","1","8","56.73","C11H22N4","InChI=1S/C11H22N4/c1-2-3-4-5-7-11-10-15(14-13-11)9-6-8-12/h10H,2-9,12H2,1H3","CLUVNBMNSJUGOP-UHFFFAOYSA-N"
"1608","CCCCCCCC1=CN(CCCN)N=N1","[R1]CCCCCCCC1=CN(N=N1)CCCN[R2]","224.352","224.200096768","2.4","16","1","4","1","9","56.73","C12H24N4","InChI=1S/C12H24N4/c1-2-3-4-5-6-8-12-11-16(15-14-12)10-7-9-13/h11H,2-10,13H2,1H3","WOKSNEWGJJOSBL-UHFFFAOYSA-N"
"1609","CCOCCOCC1=CN(CCCN)N=N1","[R1]CCOCCOCC1=CN(N=N1)CCCN[R2]","228.296","228.15862588","-1.06","16","1","6","1","9","75.19","C10H20N4O2","InChI=1S/C10H20N4O2/c1-2-15-6-7-16-9-10-8-14(13-12-10)5-3-4-11/h8H,2-7,9,11H2,1H3","LQDIZXHBPIWKFL-UHFFFAOYSA-N"
"1610","CC1CCN(C(=O)CN)CC1","[R1]CC1CCN(CC1)C(=O)CN[R2]","156.229","156.126263132","0.1","11","1","2","1","1","46.33","C8H16N2O","InChI=1S/C8H16N2O/c1-7-2-4-10(5-3-7)8(11)6-9/h7H,2-6,9H2,1H3","UGEHAXKIDKBCTK-UHFFFAOYSA-N"
"1611","CC1CCN(C(=O)CCN)CC1","[R1]CC1CCN(CC1)C(=O)CCN[R2]","170.256","170.141913196","0","12","1","2","1","2","46.33","C9H18N2O","InChI=1S/C9H18N2O/c1-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-7,10H2,1H3","SUMVCYJPLVVMKQ-UHFFFAOYSA-N"
"1612","CC1CCN(C(=O)CCCN)CC1","[R1]CC1CCN(CC1)C(=O)CCCN[R2]","184.283","184.15756326","0.36","13","1","2","1","3","46.33","C10H20N2O","InChI=1S/C10H20N2O/c1-9-4-7-12(8-5-9)10(13)3-2-6-11/h9H,2-8,11H2,1H3","LDUMHTBWEJHBDN-UHFFFAOYSA-N"
"1613","CC1CN(C2CCNCC2)C1","[R1]CC1CN(C1)C2CCN(CC2)[R2]","154.257","154.146998576","0.96","11","2","2","1","1","15.27","C9H18N2","InChI=1S/C9H18N2/c1-8-6-11(7-8)9-2-4-10-5-3-9/h8-10H,2-7H2,1H3","MUQXCHGLMDDJBI-UHFFFAOYSA-N"
"1614","CC1CN(CC2CCNCC2)C1","[R1]CC1CN(C1)CC2CCN(CC2)[R2]","168.284","168.16264864","1.15","12","2","2","1","2","15.27","C10H20N2","InChI=1S/C10H20N2/c1-9-6-12(7-9)8-10-2-4-11-5-3-10/h9-11H,2-8H2,1H3","ZJBAFOVJYGSEDI-UHFFFAOYSA-N"
"1615","CC1CCN(C2CCNCC2)CC1","[R1]CC1CCN(CC1)C2CCN(CC2)[R2]","182.311","182.178298704","1.67","13","2","2","1","1","15.27","C11H22N2","InChI=1S/C11H22N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h10-12H,2-9H2,1H3","MPXFUSKDKWZTPI-UHFFFAOYSA-N"
"1616","CC1CCN(CC2CCNCC2)CC1","[R1]CC1CCN(CC1)CC2CCN(CC2)[R2]","196.338","196.193948768","1.86","14","2","2","1","2","15.27","C12H24N2","InChI=1S/C12H24N2/c1-11-4-8-14(9-5-11)10-12-2-6-13-7-3-12/h11-13H,2-10H2,1H3","KLEANQMXCTYMKG-UHFFFAOYSA-N"
"1617","CC1CCN(CC2CN(C3CCNCC3)C2)CC1","[R1]CC1CCN(CC1)CC2CN(C2)C3CCN(CC3)[R2]","251.418","251.236147928","1.74","18","3","3","1","3","18.51","C15H29N3","InChI=1S/C15H29N3/c1-13-4-8-17(9-5-13)10-14-11-18(12-14)15-2-6-16-7-3-15/h13-16H,2-12H2,1H3","IZKVUDQHQVSOQL-UHFFFAOYSA-N"
"1618","CC1CCN(CC2CN(CC3CCNCC3)C2)CC1","[R1]CC1CCN(CC1)CC2CN(C2)CC3CCN(CC3)[R2]","265.445","265.251797992","1.93","19","3","3","1","4","18.51","C16H31N3","InChI=1S/C16H31N3/c1-14-4-8-18(9-5-14)11-16-12-19(13-16)10-15-2-6-17-7-3-15/h14-17H,2-13H2,1H3","KTJHPXKXOJIHRG-UHFFFAOYSA-N"
"1619","CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1","[R1]CC1CCN(CC1)CC2CCN(CC2)C3CCN(CC3)[R2]","279.472","279.267448056","2.45","20","3","3","1","3","18.51","C17H33N3","InChI=1S/C17H33N3/c1-15-4-10-19(11-5-15)14-16-6-12-20(13-7-16)17-2-8-18-9-3-17/h15-18H,2-14H2,1H3","BSRHWQONLOPOFL-UHFFFAOYSA-N"
"1620","CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1","[R1]CC1CCN(CC1)CC2CCN(CC2)CC3CCN(CC3)[R2]","293.499","293.28309812","2.64","21","3","3","1","4","18.51","C18H35N3","InChI=1S/C18H35N3/c1-16-4-10-20(11-5-16)15-18-6-12-21(13-7-18)14-17-2-8-19-9-3-17/h16-19H,2-15H2,1H3","GPORIJKVMBFXSP-UHFFFAOYSA-N"
"1621","CC1CCN(C(=O)N2CCC3(CCNCC3)CC2)CC1","[R1]CC1CCN(CC1)C(=O)N2CCC3(CCN(CC3)[R2])CC2","279.428","279.231062548","1.68","20","3","2","1","0","35.58","C16H29N3O","InChI=1S/C16H29N3O/c1-14-2-10-18(11-3-14)15(20)19-12-6-16(7-13-19)4-8-17-9-5-16/h14,17H,2-13H2,1H3","BNWRHZZSXVBVTH-UHFFFAOYSA-N"
"1622","CC1CCN(C(=O)C2=CC=C(N3CCNCC3)C=C2)CC1","[R1]CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)[R2]","287.407","287.19976242","2.13","21","3","3","1","2","35.58","C17H25N3O","InChI=1S/C17H25N3O/c1-14-6-10-20(11-7-14)17(21)15-2-4-16(5-3-15)19-12-8-18-9-13-19/h2-5,14,18H,6-13H2,1H3","CKVUHIQYRSWKAH-UHFFFAOYSA-N"
"1625","CCCOCCOCCOCCOCCN1CCN([SH](=O)=O)CC1","[R1]S(=O)(=O)N1CCN(CC1)CCOCCOCCOCCOCCC[R2]","368.496","368.198107744","0.64","24","1","7","1","15","77.54","C15H32N2O6S","InChI=1S/C15H32N2O6S/c1-2-8-20-10-12-22-14-15-23-13-11-21-9-7-16-3-5-17(6-4-16)24(18)19/h24H,2-15H2,1H3","NPAHMBQNEBFRDP-UHFFFAOYSA-N"
"1626","CCCOCCOCCN1CCN(C)CC1","[R1]CN1CCN(CC1)CCOCCOCCC[R2]","230.352","230.199428072","0.67","16","1","4","0","8","24.94","C12H26N2O2","InChI=1S/C12H26N2O2/c1-3-9-15-11-12-16-10-8-14-6-4-13(2)5-7-14/h3-12H2,1-2H3","INRUZFIYYXUVDQ-UHFFFAOYSA-N"
"1627","CCCOCCCN1CCN(C)CC1","[R1]CN1CCN(CC1)CCCOCCC[R2]","200.326","200.188863388","1.18","14","1","3","0","6","15.71","C11H24N2O","InChI=1S/C11H24N2O/c1-3-10-14-11-4-5-13-8-6-12(2)7-9-13/h3-11H2,1-2H3","YHFFHUZFGHESIV-UHFFFAOYSA-N"
"1628","CC(=O)NCC(N)=O","[R1]CC(=O)NCC(=O)N[R2]","116.12","116.058577496","-1.52","8","0","2","2","2","72.19","C4H8N2O2","InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)","WQELDIQOHGAHEM-UHFFFAOYSA-N"
"1629","CC(=O)NCCCC(N)=O","[R1]CC(=O)NCCCC(=O)N[R2]","144.174","144.089877624","-1.26","10","0","2","2","4","72.19","C6H12N2O2","InChI=1S/C6H12N2O2/c1-5(9)8-4-2-3-6(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)","ZSUIYKQIAOCHQV-UHFFFAOYSA-N"
"1630","CC(=O)NCCCCCC(N)=O","[R1]CC(=O)NCCCCCC(=O)N[R2]","172.228","172.121177752","-0.54","12","0","2","2","6","72.19","C8H16N2O2","InChI=1S/C8H16N2O2/c1-7(11)10-6-4-2-3-5-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)","DKTLRYBPEORJBF-UHFFFAOYSA-N"
"1631","CC(=O)NCCCCCCCC(N)=O","[R1]CC(=O)NCCCCCCCC(=O)N[R2]","200.282","200.15247788","0.54","14","0","2","2","8","72.19","C10H20N2O2","InChI=1S/C10H20N2O2/c1-9(13)12-8-6-4-2-3-5-7-10(11)14/h2-8H2,1H3,(H2,11,14)(H,12,13)","WEJBJJVJRBLLKL-UHFFFAOYSA-N"
"1632","CC(=O)NCCCCCCCCCCC(N)=O","[R1]CC(=O)NCCCCCCCCCCC(=O)N[R2]","242.363","242.199428072","2.17","17","0","2","2","11","72.19","C13H26N2O2","InChI=1S/C13H26N2O2/c1-12(16)15-11-9-7-5-3-2-4-6-8-10-13(14)17/h2-11H2,1H3,(H2,14,17)(H,15,16)","WIPOXXLITRDXBS-UHFFFAOYSA-N"
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"1677","COCCOCCNC(=O)C1=CN(CCOCCOC)C(=O)C=C1","[R1]COCCOCCN1C=C(C=CC1=O)C(=O)NCCOCCOC[R2]","342.392","342.179086552","-1.2","24","1","7","1","13","88.02","C16H26N2O6","InChI=1S/C16H26N2O6/c1-21-9-11-23-7-5-17-16(20)14-3-4-15(19)18(13-14)6-8-24-12-10-22-2/h3-4,13H,5-12H2,1-2H3,(H,17,20)","PCLMPRKDTQEYHK-UHFFFAOYSA-N"
"1678","COCCOCCOCCNC(=O)C1=CN(CCOCCOCCOC)C(=O)C=C1","[R1]COCCOCCOCCN1C=C(C=CC1=O)C(=O)NCCOCCOCCOC[R2]","430.498","430.231516048","-1.5","30","1","9","1","19","106.48","C20H34N2O8","InChI=1S/C20H34N2O8/c1-25-9-11-29-15-13-27-7-5-21-20(24)18-3-4-19(23)22(17-18)6-8-28-14-16-30-12-10-26-2/h3-4,17H,5-16H2,1-2H3,(H,21,24)","BJMQRONPIZLNEO-UHFFFAOYSA-N"
"1679","COCCOCCOCCOCCNC(=O)C1=CN(CCOCCOCCOCCOC)C(=O)C=C1","[R1]COCCOCCOCCOCCN1C=C(C=CC1=O)C(=O)NCCOCCOCCOCCOC[R2]","518.604","518.283945544","-1.8","36","1","11","1","25","124.94","C24H42N2O10","InChI=1S/C24H42N2O10/c1-29-9-11-33-17-19-35-15-13-31-7-5-25-24(28)22-3-4-23(27)26(21-22)6-8-32-14-16-36-20-18-34-12-10-30-2/h3-4,21H,5-20H2,1-2H3,(H,25,28)","TWFUXZVWJSQNDT-UHFFFAOYSA-N"
"1680","NCCCCCCNC(=O)C1=CN(CCCCCCN)C(=O)C=C1","[R1]NCCCCCCNC(=O)C1=CN(C(=O)C=C1)CCCCCCN[R2]","336.48","336.252526264","0.36","24","1","5","3","13","103.14","C18H32N4O2","InChI=1S/C18H32N4O2/c19-11-5-1-3-7-13-21-18(24)16-9-10-17(23)22(15-16)14-8-4-2-6-12-20/h9-10,15H,1-8,11-14,19-20H2,(H,21,24)","RAPUEDAUEHBFBA-UHFFFAOYSA-N"
"1681","NCCOCCNC(=O)C1=CN(CCOCCN)C(=O)C=C1","[R1]NCCOCCNC(=O)C1=CN(C(=O)C=C1)CCOCCN[R2]","312.37","312.179755248","-2.79","22","1","7","3","11","121.6","C14H24N4O4","InChI=1S/C14H24N4O4/c15-3-7-21-9-5-17-14(20)12-1-2-13(19)18(11-12)6-10-22-8-4-16/h1-2,11H,3-10,15-16H2,(H,17,20)","RNPISKWGBCMLMV-UHFFFAOYSA-N"
"1682","NCCOCCOCCNC(=O)C1=CN(CCOCCOCCN)C(=O)C=C1","[R1]NCCOCCOCCNC(=O)C1=CN(C(=O)C=C1)CCOCCOCCN[R2]","400.476","400.232184744","-3.09","28","1","9","3","17","140.06","C18H32N4O6","InChI=1S/C18H32N4O6/c19-3-7-25-11-13-27-9-5-21-18(24)16-1-2-17(23)22(15-16)6-10-28-14-12-26-8-4-20/h1-2,15H,3-14,19-20H2,(H,21,24)","ZLPLNAILJDCQRC-UHFFFAOYSA-N"
"1683","NCCOCCOCCOCCNC(=O)C1=CN(CCOCCOCCOCCN)C(=O)C=C1","[R1]NCCOCCOCCOCCNC(=O)C1=CN(C(=O)C=C1)CCOCCOCCOCCN[R2]","488.582","488.28461424","-3.38","34","1","11","3","23","158.52","C22H40N4O8","InChI=1S/C22H40N4O8/c23-3-7-29-11-15-33-17-13-31-9-5-25-22(28)20-1-2-21(27)26(19-20)6-10-32-14-18-34-16-12-30-8-4-24/h1-2,19H,3-18,23-24H2,(H,25,28)","NWJJFKKBXQDSKY-UHFFFAOYSA-N"
"1684","NCCOCCOCCOCCOCCNC(=O)C1=CN(CCOCCOCCOCCOCCN)C(=O)C=C1","[R1]NCCOCCOCCOCCOCCNC(=O)C1=CN(C(=O)C=C1)CCOCCOCCOCCOCCN[R2]","576.688","576.337043736","-3.68","40","1","13","3","29","176.98","C26H48N4O10","InChI=1S/C26H48N4O10/c27-3-7-33-11-15-37-19-21-39-17-13-35-9-5-29-26(32)24-1-2-25(31)30(23-24)6-10-36-14-18-40-22-20-38-16-12-34-8-4-28/h1-2,23H,3-22,27-28H2,(H,29,32)","TXDVBAHDCXICHV-UHFFFAOYSA-N"
"1685","CCOCCOCCOCCOCCOCCN","[R1]CCOCCOCCOCCOCCOCCN[R2]","265.35","265.188922964","-1.09","18","0","6","1","15","72.17","C12H27NO5","InChI=1S/C12H27NO5/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h2-13H2,1H3","AWKGXTCDNRRIFL-UHFFFAOYSA-N"
"1686","CCCOCCCCOCCCN","[R1]NCCCOCCCCOCCC[R2]","189.299","189.172878976","0.96","13","0","3","1","10","44.48","C10H23NO2","InChI=1S/C10H23NO2/c1-2-7-12-8-3-4-9-13-10-5-6-11/h2-11H2,1H3","HCZAMHNNVHUYFM-UHFFFAOYSA-N"
"1687","C1=CC=NC=C1","[R1]C1=NC=CC(=C1)[R2]","79.102","79.04219916","0.85","6","1","1","0","0","12.89","C5H5N","InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H","JUJWROOIHBZHMG-UHFFFAOYSA-N"
"1688","C1=CC=NC=C1","[R1]C1=NC(=CC=C1)[R2]","79.102","79.04219916","0.85","6","1","1","0","0","12.89","C5H5N","InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H","JUJWROOIHBZHMG-UHFFFAOYSA-N"
"1689","C1=CC=NC=C1","[R1]C1=NC=C(C=C1)[R2]","79.102","79.04219916","0.85","6","1","1","0","0","12.89","C5H5N","InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H","JUJWROOIHBZHMG-UHFFFAOYSA-N"
"1690","C1=CC=CC=C1","[R1]C1=CC(=CC=C1)[R2]","78.114","78.046950192","1.92","6","1","0","0","0","0","C6H6","InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H","UHOVQNZJYSORNB-UHFFFAOYSA-N"
"1691","C1=CSC=N1","[R1]C1=NC(=CS1)[R2]","85.131","84.998620096","0.95","5","1","2","0","0","12.89","C3H3NS","InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H","FZWLAAWBMGSTSO-UHFFFAOYSA-N"
"1692","CC1=CC=NC=C1","[R1]C1=NC=CC(=C1)C[R2]","93.129","93.057849224","1.22","7","1","1","0","0","12.89","C6H7N","InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3","FKNQCJSGGFJEIZ-UHFFFAOYSA-N"
"1693","CCC1=CC=NC=C1","[R1]C1=NC=CC(=C1)CC[R2]","107.156","107.073499288","1.65","8","1","1","0","1","12.89","C7H9N","InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3","VJXRKZJMGVSXPX-UHFFFAOYSA-N"
"1694","CCC(N)=O","[R1]CCC(=O)N[R2]","73.095","73.052763844","-0.39","5","0","1","1","1","43.09","C3H7NO","InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","QLNJFJADRCOGBJ-UHFFFAOYSA-N"
"1695","CCCC(N)=O","[R1]CCCC(=O)N[R2]","87.122","87.068413908","-0.03","6","0","1","1","2","43.09","C4H9NO","InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","DNSISZSEWVHGLH-UHFFFAOYSA-N"
"1696","CCCCC(N)=O","[R1]CCCCC(=O)N[R2]","101.149","101.084063972","0.51","7","0","1","1","3","43.09","C5H11NO","InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)","IPWFJLQDVFKJDU-UHFFFAOYSA-N"
"1697","CCCCCC(N)=O","[R1]CCCCCC(=O)N[R2]","115.176","115.099714036","1.05","8","0","1","1","4","43.09","C6H13NO","InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)","ALBYIUDWACNRRB-UHFFFAOYSA-N"
"1698","CCCCCCC(N)=O","[R1]CCCCCCC(=O)N[R2]","129.203","129.1153641","1.59","9","0","1","1","5","43.09","C7H15NO","InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)","AEDIXYWIVPYNBI-UHFFFAOYSA-N"
"1699","CCCCCCCC(N)=O","[R1]CCCCCCCC(=O)N[R2]","143.23","143.131014164","2.13","10","0","1","1","6","43.09","C8H17NO","InChI=1S/C8H17NO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H2,9,10)","LTHCSWBWNVGEFE-UHFFFAOYSA-N"
"1700","CCCCCCCCC(N)=O","[R1]CCCCCCCCC(=O)N[R2]","157.257","157.146664228","2.68","11","0","1","1","7","43.09","C9H19NO","InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)","GHLZUHZBBNDWHW-UHFFFAOYSA-N"
"1701","CCCCCCCCCC(N)=O","[R1]CCCCCCCCCC(=O)N[R2]","171.284","171.162314292","3.22","12","0","1","1","8","43.09","C10H21NO","InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H2,11,12)","TUTWLYPCGCUWQI-UHFFFAOYSA-N"
"1702","CC(=O)NCCOCCN","[R1]CC(=O)NCCOCCN[R2]","146.19","146.105527688","-1.55","10","0","3","2","5","64.35","C6H14N2O2","InChI=1S/C6H14N2O2/c1-6(9)8-3-5-10-4-2-7/h2-5,7H2,1H3,(H,8,9)","FTRPSIHVAGFJMU-UHFFFAOYSA-N"
"1703","CC(=O)NCCOCCOCCN","[R1]CC(=O)NCCOCCOCCN[R2]","190.243","190.131742436","-1.7","13","0","4","2","8","73.58","C8H18N2O3","InChI=1S/C8H18N2O3/c1-8(11)10-3-5-13-7-6-12-4-2-9/h2-7,9H2,1H3,(H,10,11)","MLKVGKULFLDWJW-UHFFFAOYSA-N"
"1704","CC(=O)NCCOCCOCCOCCN","[R1]CC(=O)NCCOCCOCCOCCN[R2]","234.296","234.157957184","-1.84","16","0","5","2","11","82.81","C10H22N2O4","InChI=1S/C10H22N2O4/c1-10(13)12-3-5-15-7-9-16-8-6-14-4-2-11/h2-9,11H2,1H3,(H,12,13)","XGZGUFMIIFCEPB-UHFFFAOYSA-N"
"1705","CC(=O)N1CCN(CCN)CC1","[R1]CC(=O)N1CCN(CC1)CCN[R2]","171.244","171.137162164","-1.41","12","1","3","1","2","49.57","C8H17N3O","InChI=1S/C8H17N3O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7,9H2,1H3","IEXLKUJTTDIYQW-UHFFFAOYSA-N"
"1706","CC(=O)N1CCNCC1","[R1]CC(=O)N1CCN(CC1)[R2]","128.175","128.094963004","-0.93","9","1","2","1","0","32.34","C6H12N2O","InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3","PKDPUENCROCRCH-UHFFFAOYSA-N"
"1707","CN","[R1]CN[R2]","31.058","31.04219916","-0.71","2","0","1","1","0","26.02","CH5N","InChI=1S/CH5N/c1-2/h2H2,1H3","BAVYZALUXZFZLV-UHFFFAOYSA-N"
"1708","C=C","[R1]/C=C\[R2]","28.054","28.031300128","1.2","2","0","0","0","0","0","C2H4","InChI=1S/C2H4/c1-2/h1-2H2","VGGSQFUCUMXWEO-UHFFFAOYSA-N"
"1709","CCC","[R1]CC([R2])C","44.097","44.062600256","1.84","3","0","0","0","0","0","C3H8","InChI=1S/C3H8/c1-3-2/h3H2,1-2H3","ATUOYWHBWRKTHZ-UHFFFAOYSA-N"
"1710","CCC","[R1]C(C)C[R2]","44.097","44.062600256","1.84","3","0","0","0","0","0","C3H8","InChI=1S/C3H8/c1-3-2/h3H2,1-2H3","ATUOYWHBWRKTHZ-UHFFFAOYSA-N"
"1711","COCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCO[R2]","185.227","185.11642672","-0.27","13","1","5","0","6","49.17","C8H15N3O2","InChI=1S/C8H15N3O2/c1-8-7-11(10-9-8)3-4-13-6-5-12-2/h7H,3-6H2,1-2H3","YGAWRRQZFQGZCQ-UHFFFAOYSA-N"
"1712","CCOCCOCCOCC1=CN(CCOCCOC)N=N1","[R1]CCOCCOCCOCC1=CN(N=N1)CCOCCOC[R2]","317.386","317.195070964","-0.91","22","1","8","0","15","76.86","C14H27N3O5","InChI=1S/C14H27N3O5/c1-3-19-8-9-21-10-11-22-13-14-12-17(16-15-14)4-5-20-7-6-18-2/h12H,3-11,13H2,1-2H3","JDWWYXOVVMNTHD-UHFFFAOYSA-N"
"1713","CC1=CN(CCCCCCO)N=N1","[R1]CC1=CN(N=N1)CCCCCCO[R2]","183.255","183.137162164","0.77","13","1","4","1","6","50.94","C9H17N3O","InChI=1S/C9H17N3O/c1-9-8-12(11-10-9)6-4-2-3-5-7-13/h8,13H,2-7H2,1H3","HOZOHESWDGGHPU-UHFFFAOYSA-N"
"1714","CC1=CN(CCOCCOCCOCCN2C=C(CO)N=N2)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCN2C=C(N=N2)CO[R2]","340.384","340.185903248","-1.87","24","2","10","1","13","109.34","C14H24N6O4","InChI=1S/C14H24N6O4/c1-13-10-19(17-15-13)2-4-22-6-8-24-9-7-23-5-3-20-11-14(12-21)16-18-20/h10-11,21H,2-9,12H2,1H3","FMIPTVYNDCJAIN-UHFFFAOYSA-N"
"1715","CCOCCCOCC","[R1]CCOCCCOCC[R2]","132.203","132.115029752","1.02","9","0","2","0","6","18.46","C7H16O2","InChI=1S/C7H16O2/c1-3-8-6-5-7-9-4-2/h3-7H2,1-2H3","IOQSSIPMPIYMDF-UHFFFAOYSA-N"
"1716","CCOCCCOCCCOCC","[R1]CCOCCCOCCCOCC[R2]","190.283","190.156894564","1.23","13","0","3","0","10","27.69","C10H22O3","InChI=1S/C10H22O3/c1-3-11-7-5-9-13-10-6-8-12-4-2/h3-10H2,1-2H3","GSAJQUMOODCIHD-UHFFFAOYSA-N"
"1717","O=CN1CCC(N2CCNCC2)CC1","[R1]C(=O)N1CCC(CC1)N2CCN(CC2)[R2]","197.282","197.152812228","0.22","14","2","3","1","2","35.58","C10H19N3O","InChI=1S/C10H19N3O/c14-9-12-5-1-10(2-6-12)13-7-3-11-4-8-13/h9-11H,1-8H2","UPZHIRZYGCKZQG-UHFFFAOYSA-N"
"1718","O=CN1CCCN(C2CCNCC2)CC1","[R1]C(=O)N1CCCN(CC1)C2CCN(CC2)[R2]","211.309","211.168462292","0.57","15","2","3","1","2","35.58","C11H21N3O","InChI=1S/C11H21N3O/c15-10-13-6-1-7-14(9-8-13)11-2-4-12-5-3-11/h10-12H,1-9H2","DTVFVWDARLXHTI-UHFFFAOYSA-N"
"1719","O=CN1CCCN(C2CCNCC2)CCC1","[R1]C(=O)N1CCCN(CCC1)C2CCN(CC2)[R2]","225.336","225.184112356","0.93","16","2","3","1","2","35.58","C12H23N3O","InChI=1S/C12H23N3O/c16-11-14-7-1-9-15(10-2-8-14)12-3-5-13-6-4-12/h11-13H,1-10H2","PBPLNFILSMPLNI-UHFFFAOYSA-N"
"1720","O=CN1CC2CC(C1)CN(C1CCNCC1)C2","[R1]C(=O)N1CC2CC(C1)CN(C2)C3CCN(CC3)[R2]","237.347","237.184112356","0.86","17","3","3","1","2","35.58","C13H23N3O","InChI=1S/C13H23N3O/c17-10-15-6-11-5-12(7-15)9-16(8-11)13-1-3-14-4-2-13/h10-14H,1-9H2","FJMZKZGNOZNWPE-UHFFFAOYSA-N"
"1721","O=CN1CC2(C1)CN(C1CCNCC1)C2","[R1]C(=O)N1CC2(C1)CN(C2)C3CCN(CC3)[R2]","209.293","209.152812228","0.11","15","3","3","1","2","35.58","C11H19N3O","InChI=1S/C11H19N3O/c15-9-13-5-11(6-13)7-14(8-11)10-1-3-12-4-2-10/h9-10,12H,1-8H2","LFCGXSPFBKZXCL-UHFFFAOYSA-N"
"1722","O=CN1CCC2(C1)CN(C1CCNCC1)C2","[R1]C(=O)N1CCC2(C1)CN(C2)C3CCN(CC3)[R2]","223.32","223.168462292","0.46","16","3","3","1","2","35.58","C12H21N3O","InChI=1S/C12H21N3O/c16-10-14-6-3-12(7-14)8-15(9-12)11-1-4-13-5-2-11/h10-11,13H,1-9H2","KLDRRTZJIZEPJM-UHFFFAOYSA-N"
"1723","O=CN1CCCN(C2CNC2)CC1","[R1]C(=O)N1CCCN(CC1)C2CN(C2)[R2]","183.255","183.137162164","-0.14","13","2","3","1","2","35.58","C9H17N3O","InChI=1S/C9H17N3O/c13-8-11-2-1-3-12(5-4-11)9-6-10-7-9/h8-10H,1-7H2","JULMRFPUHMJPNX-UHFFFAOYSA-N"
"1724","O=CN1CC2(C1)CN(C1CNC1)C2","[R1]C(=O)N1CC2(C1)CN(C2)C3CN(C3)[R2]","181.239","181.1215121","-0.61","13","3","3","1","2","35.58","C9H15N3O","InChI=1S/C9H15N3O/c13-7-11-3-9(4-11)5-12(6-9)8-1-10-2-8/h7-8,10H,1-6H2","XCHLLEGBQREJAV-UHFFFAOYSA-N"
"1725","O=CN1CCC(CN2CCNCC2)CC1","[R1]C(=O)N1CCC(CC1)CN2CCN(CC2)[R2]","211.309","211.168462292","0.41","15","2","3","1","3","35.58","C11H21N3O","InChI=1S/C11H21N3O/c15-10-14-5-1-11(2-6-14)9-13-7-3-12-4-8-13/h10-12H,1-9H2","CEBPXQFPGUKWFI-UHFFFAOYSA-N"
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"1738","NCCOCCOCCN","[R1]NCCOCCOCCN[R2]","148.206","148.121177752","-1.95","10","0","4","2","7","70.5","C6H16N2O2","InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2","IWBOPFCKHIJFMS-UHFFFAOYSA-N"
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"1740","NCCCO","[R1]OCCCN[R2]","75.111","75.068413908","-1.04","5","0","2","2","2","46.25","C3H9NO","InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2","WUGQZFFCHPXWKQ-UHFFFAOYSA-N"
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"1744","NCCOCCOCCO","[R1]OCCOCCOCCN[R2]","149.19","149.10519334","-1.69","10","0","4","2","7","64.71","C6H15NO3","InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2","ASDQMECUMYIVBG-UHFFFAOYSA-N"
"1745","NCCOCCO","[R1]OCCOCCN[R2]","105.137","105.078978592","-1.55","7","0","3","2","4","55.48","C4H11NO2","InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2","GIAFURWZWWWBQT-UHFFFAOYSA-N"
"1746","NCCOCCOCCOCCO","[R1]OCCOCCOCCOCCN[R2]","193.243","193.131408088","-1.84","13","0","5","2","10","73.94","C8H19NO4","InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2","ANOJXMUSDYSKET-UHFFFAOYSA-N"
"1747","CC(N)CCO","[R1]OCCC(C)N[R2]","89.138","89.084063972","-0.61","6","0","2","2","2","46.25","C4H11NO","InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3","AGMZSYQMSHMXLT-UHFFFAOYSA-N"
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"1749","CCCCCCN","[R1]CCCCCCN[R2]","101.193","101.12044948","1.62","7","0","1","1","4","26.02","C6H15N","InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3","BMVXCPBXGZKUPN-UHFFFAOYSA-N"
"1750","CCN","[R1]CCN[R2]","45.085","45.057849224","-0.35","3","0","1","1","0","26.02","C2H7N","InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3","QUSNBJAOOMFDIB-UHFFFAOYSA-N"
"1751","C1CNC1","[R1]C1CN(C1)[R2]","57.096","57.057849224","-0.07","4","1","1","1","0","12.03","C3H7N","InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2","HONIICLYMWZJFZ-UHFFFAOYSA-N"
"1752","CN1CCN(CCC2CNC2)CC1","[R1]C1(CN(C1)[R2])CCN2CCN(CC2)C","183.299","183.173547672","0.03","13","2","3","1","3","18.51","C10H21N3","InChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)3-2-10-8-11-9-10/h10-11H,2-9H2,1H3","BZCCKYUASUQBEL-UHFFFAOYSA-N"
"1753","O=CCCCCCCCCCCCO","[R1]C(=O)CCCCCCCCCCCO[R2]","200.322","200.177630008","3.3","14","0","2","1","11","37.3","C12H24O2","InChI=1S/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h11,14H,1-10,12H2","XKBXXRNKFGIWNV-UHFFFAOYSA-N"
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"1756","O=CCCCCCCCCCCCCCCCCCO","[R1]C(=O)CCCCCCCCCCCCCCCCCO[R2]","284.484","284.271530392","6.55","20","0","2","1","17","37.3","C18H36O2","InChI=1S/C18H36O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h17,20H,1-16,18H2","DURILPAUBPCCDX-UHFFFAOYSA-N"
"1757","O=CCOCCO","[R1]C(=O)COCCO[R2]","104.105","104.047344116","-1.08","7","0","3","1","4","46.53","C4H8O3","InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2","DSGGHBUAHUMMHN-UHFFFAOYSA-N"
"1758","O=CCCOCCO","[R1]C(=O)CCOCCO[R2]","118.132","118.06299418","-1.17","8","0","3","1","5","46.53","C5H10O3","InChI=1S/C5H10O3/c6-2-1-4-8-5-3-7/h2,7H,1,3-5H2","GNSPBEKHJNYOTG-UHFFFAOYSA-N"
"1759","O=CCCOCCOCCCO","[R1]C(=O)CCOCCOCCCO[R2]","176.212","176.104858992","-0.96","12","0","4","1","9","55.76","C8H16O4","InChI=1S/C8H16O4/c9-3-1-5-11-7-8-12-6-2-4-10/h3,10H,1-2,4-8H2","OVXSZTKVFDRODE-UHFFFAOYSA-N"
"1760","CC1=CC=C(C2CCNCC2)C=C1","[R1]CC1=CC=C(C=C1)C2CCN(CC2)[R2]","175.275","175.136099544","2.4","13","2","1","1","1","12.03","C12H17N","InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3","UWILYNPREMNRTF-UHFFFAOYSA-N"
"1761","CC1CCNC1","[R1]CC1CCN(C1)[R2]","85.15","85.089149352","0.72","6","1","1","1","0","12.03","C5H11N","InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3","KYINPWAJIVTFBW-UHFFFAOYSA-N"
"1762","CC1CC2(CNC2)C1","[R1]CC1CC2(C1)CN(C2)[R2]","111.188","111.104799416","0.97","8","2","1","1","0","12.03","C7H13N","InChI=1S/C7H13N/c1-6-2-7(3-6)4-8-5-7/h6,8H,2-5H2,1H3","WTCFBROQCNCRKV-UHFFFAOYSA-N"
"1763","O=CCC1=CC=C(N2CCNCC2)C=C1","[R1]C(=O)CC1=CC=C(C=C1)N2CCN(CC2)[R2]","204.273","204.126263132","0.79","15","2","3","1","3","32.34","C12H16N2O","InChI=1S/C12H16N2O/c15-10-5-11-1-3-12(4-2-11)14-8-6-13-7-9-14/h1-4,10,13H,5-9H2","STSRIQNUWRXCOA-UHFFFAOYSA-N"
"1764","O=CCC1CCNCC1","[R1]C(=O)CC1CCN(CC1)[R2]","127.187","127.099714036","-0.02","9","1","2","1","2","29.1","C7H13NO","InChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h6-8H,1-5H2","UHPODXWWSMJMMM-UHFFFAOYSA-N"
"1765","O=CCC1CCNC1","[R1]C(=O)CC1CCN(C1)[R2]","113.16","113.084063972","-0.38","8","1","2","1","2","29.1","C6H11NO","InChI=1S/C6H11NO/c8-4-2-6-1-3-7-5-6/h4,6-7H,1-3,5H2","NXWTTWZLCRFKNW-UHFFFAOYSA-N"
"1766","O=CCC1CNC1","[R1]C(=O)CC1CN(C1)[R2]","99.133","99.068413908","-0.74","7","1","2","1","2","29.1","C5H9NO","InChI=1S/C5H9NO/c7-2-1-5-3-6-4-5/h2,5-6H,1,3-4H2","WWMGHXIFPOPXSH-UHFFFAOYSA-N"
"1767","O=CCC1CC2(CNC2)C1","[R1]C(=O)CC1CC2(C1)CN(C2)[R2]","139.198","139.099714036","-0.14","10","2","2","1","2","29.1","C8H13NO","InChI=1S/C8H13NO/c10-2-1-7-3-8(4-7)5-9-6-8/h2,7,9H,1,3-6H2","CSFCHYVFWYQVMR-UHFFFAOYSA-N"
"1768","O=CC1=CC=C(C2CCNCC2)C=C1","[R1]C(=O)C1=CC=C(C=C1)C2CCN(CC2)[R2]","189.258","189.1153641","1.5","14","2","2","1","2","29.1","C12H15NO","InChI=1S/C12H15NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-4,9,12-13H,5-8H2","LQIMSVVWWBJMKQ-UHFFFAOYSA-N"
"1769","O=CC1CCNC1","[R1]C(=O)C1CCN(C1)[R2]","99.133","99.068413908","-0.6","7","1","2","1","1","29.1","C5H9NO","InChI=1S/C5H9NO/c7-4-5-1-2-6-3-5/h4-6H,1-3H2","KDOLGICVVPEEHO-UHFFFAOYSA-N"
"1770","O=CC1CC2(CNC2)C1","[R1]C(=O)C1CC2(C1)CN(C2)[R2]","125.171","125.084063972","-0.36","9","2","2","1","1","29.1","C7H11NO","InChI=1S/C7H11NO/c9-3-6-1-7(2-6)4-8-5-7/h3,6,8H,1-2,4-5H2","DGFOXGKHFWJQBY-UHFFFAOYSA-N"
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"1772","CC(=O)NCCCNC(C)=O","[R1]CC(=O)NCCCNC(=O)C[R2]","158.201","158.105527688","-0.79","11","0","2","2","4","58.2","C7H14N2O2","InChI=1S/C7H14N2O2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11)","ZKNABVGKDQELOH-UHFFFAOYSA-N"
"1773","CC(=O)NCCCCNC(C)=O","[R1]CC(=O)NCCCCNC(=O)C[R2]","172.228","172.121177752","-0.43","12","0","2","2","5","58.2","C8H16N2O2","InChI=1S/C8H16N2O2/c1-7(11)9-5-3-4-6-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)","KFBMJMUYUQWEOA-UHFFFAOYSA-N"
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"1775","CC(=O)NCCCCCCCCNC(C)=O","[R1]CC(=O)NCCCCCCCCNC(=O)C[R2]","228.336","228.183778008","1.37","16","0","2","2","9","58.2","C12H24N2O2","InChI=1S/C12H24N2O2/c1-11(15)13-9-7-5-3-4-6-8-10-14-12(2)16/h3-10H2,1-2H3,(H,13,15)(H,14,16)","UGFBHJIHDZREFU-UHFFFAOYSA-N"
"1776","CC(=O)NCCCCCCCCCCNC(C)=O","[R1]CC(=O)NCCCCCCCCCCNC(=O)C[R2]","256.39","256.215078136","2.45","18","0","2","2","11","58.2","C14H28N2O2","InChI=1S/C14H28N2O2/c1-13(17)15-11-9-7-5-3-4-6-8-10-12-16-14(2)18/h3-12H2,1-2H3,(H,15,17)(H,16,18)","ZXGNDEDCKFURJV-UHFFFAOYSA-N"
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"1778","CCC(=O)NCCCNC(C)=O","[R1]CCC(=O)NCCCNC(=O)C[R2]","172.228","172.121177752","-0.32","12","0","2","2","5","58.2","C8H16N2O2","InChI=1S/C8H16N2O2/c1-3-8(12)10-6-4-5-9-7(2)11/h3-6H2,1-2H3,(H,9,11)(H,10,12)","XVKSARSRWRQICD-UHFFFAOYSA-N"
"1779","CCC(=O)NCCCCNC(C)=O","[R1]CCC(=O)NCCCCNC(=O)C[R2]","186.255","186.136827816","0.04","13","0","2","2","6","58.2","C9H18N2O2","InChI=1S/C9H18N2O2/c1-3-9(13)11-7-5-4-6-10-8(2)12/h3-7H2,1-2H3,(H,10,12)(H,11,13)","QDLQFKFRXFRHSP-UHFFFAOYSA-N"
"1780","CCC(=O)NCCCCCNC(C)=O","[R1]CCC(=O)NCCCCCNC(=O)C[R2]","200.282","200.15247788","0.4","14","0","2","2","7","58.2","C10H20N2O2","InChI=1S/C10H20N2O2/c1-3-10(14)12-8-6-4-5-7-11-9(2)13/h3-8H2,1-2H3,(H,11,13)(H,12,14)","VPLZRTJTSUQRDW-UHFFFAOYSA-N"
"1781","CCC(=O)NCCOCCNC(C)=O","[R1]CCC(=O)NCCOCCNC(=O)C[R2]","202.254","202.131742436","-0.82","14","0","3","2","7","67.43","C9H18N2O3","InChI=1S/C9H18N2O3/c1-3-9(13)11-5-7-14-6-4-10-8(2)12/h3-7H2,1-2H3,(H,10,12)(H,11,13)","TTYHFRLSTFXKQR-UHFFFAOYSA-N"
"1782","CCC(=O)NCCOCCOCCNC(C)=O","[R1]CCC(=O)NCCOCCOCCNC(=O)C[R2]","246.307","246.157957184","-0.97","17","0","4","2","10","76.66","C11H22N2O4","InChI=1S/C11H22N2O4/c1-3-11(15)13-5-7-17-9-8-16-6-4-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15)","ULGUJCAFXWTMJG-UHFFFAOYSA-N"
"1783","CCC(=O)NCCOCCOCCOCCNC(C)=O","[R1]CCC(=O)NCCOCCOCCOCCNC(=O)C[R2]","290.36","290.184171932","-1.12","20","0","5","2","13","85.89","C13H26N2O5","InChI=1S/C13H26N2O5/c1-3-13(17)15-5-7-19-9-11-20-10-8-18-6-4-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17)","YJUWWGNERMWNHK-UHFFFAOYSA-N"
"1784","CC(=O)NCC=O","[R1]C(=O)CNC(=O)C[R2]","101.105","101.047678464","-0.93","7","0","2","1","2","46.17","C4H7NO2","InChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)","KCRRYOSHXIMXSZ-UHFFFAOYSA-N"
"1785","CC(=O)NCCC=O","[R1]C(=O)CCNC(=O)C[R2]","115.132","115.063328528","-1.03","8","0","2","1","3","46.17","C5H9NO2","InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)","ARJPPNFIEQKVBB-UHFFFAOYSA-N"
"1786","CC(=O)NCCCC=O","[R1]C(=O)CCCNC(=O)C[R2]","129.159","129.078978592","-0.67","9","0","2","1","4","46.17","C6H11NO2","InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)","DDSLGZOYEPKPSJ-UHFFFAOYSA-N"
"1787","CC(=O)NCCCCC=O","[R1]C(=O)CCCCNC(=O)C[R2]","143.186","143.094628656","-0.31","10","0","2","1","5","46.17","C7H13NO2","InChI=1S/C7H13NO2/c1-7(10)8-5-3-2-4-6-9/h6H,2-5H2,1H3,(H,8,10)","CMKXYMURJCKXEU-UHFFFAOYSA-N"
"1788","CC(=O)NCCCCCC=O","[R1]C(=O)CCCCCNC(=O)C[R2]","157.213","157.11027872","0.05","11","0","2","1","6","46.17","C8H15NO2","InChI=1S/C8H15NO2/c1-8(11)9-6-4-2-3-5-7-10/h7H,2-6H2,1H3,(H,9,11)","LKNUIOZKLGQZEF-UHFFFAOYSA-N"
"1789","CC(=O)NCCCCCCCC=O","[R1]C(=O)CCCCCCCNC(=O)C[R2]","185.267","185.141578848","1.13","13","0","2","1","8","46.17","C10H19NO2","InChI=1S/C10H19NO2/c1-10(13)11-8-6-4-2-3-5-7-9-12/h9H,2-8H2,1H3,(H,11,13)","MCEDGEZMTOLISW-UHFFFAOYSA-N"
"1790","CC(=O)NCCCCCCCCC=O","[R1]C(=O)CCCCCCCCNC(=O)C[R2]","199.294","199.157228912","1.67","14","0","2","1","9","46.17","C11H21NO2","InChI=1S/C11H21NO2/c1-11(14)12-9-7-5-3-2-4-6-8-10-13/h10H,2-9H2,1H3,(H,12,14)","PCAYNDWCAWUECR-UHFFFAOYSA-N"
"1791","CC(=O)NCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCNC(=O)C[R2]","213.321","213.172878976","2.21","15","0","2","1","10","46.17","C12H23NO2","InChI=1S/C12H23NO2/c1-12(15)13-10-8-6-4-2-3-5-7-9-11-14/h11H,2-10H2,1H3,(H,13,15)","JQKBWUJBHGOXKD-UHFFFAOYSA-N"
"1792","CC(=O)NCCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCNC(=O)C[R2]","227.348","227.18852904","2.75","16","0","2","1","11","46.17","C13H25NO2","InChI=1S/C13H25NO2/c1-13(16)14-11-9-7-5-3-2-4-6-8-10-12-15/h12H,2-11H2,1H3,(H,14,16)","BVCUSMWLJJDLQZ-UHFFFAOYSA-N"
"1793","CCCN","[R1]CCCN[R2]","59.112","59.073499288","0.18","4","0","1","1","1","26.02","C3H9N","InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3","WGYKZJWCGVVSQN-UHFFFAOYSA-N"
"1794","NC1CCNCC1","[R1]N1CCC(CC1)N[R2]","100.165","100.100048384","-0.59","7","1","2","2","0","38.05","C5H12N2","InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2","BCIIMDOZSUCSEN-UHFFFAOYSA-N"
"1795","C1CC(C2CNC2)CCN1","[R1]N1CCC(CC1)C2CN(C2)[R2]","140.23","140.131348512","0.14","10","2","2","2","1","24.06","C8H16N2","InChI=1S/C8H16N2/c1-3-9-4-2-7(1)8-5-10-6-8/h7-10H,1-6H2","BXGJTOWQMBDJGT-UHFFFAOYSA-N"
"1796","C1CC(C2CCNCC2)CCN1","[R1]N1CCC(CC1)C2CCN(CC2)[R2]","168.284","168.16264864","0.86","12","2","2","2","1","24.06","C10H20N2","InChI=1S/C10H20N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h9-12H,1-8H2","PRNRUOJLUPUJDN-UHFFFAOYSA-N"
"1797","NC1CC2(CCNCC2)C1","[R1]N1CCC2(CC1)CC(C2)N[R2]","140.23","140.131348512","0.01","10","2","2","2","0","38.05","C8H16N2","InChI=1S/C8H16N2/c9-7-5-8(6-7)1-3-10-4-2-8/h7,10H,1-6,9H2","LQZWTOSNZDCFCP-UHFFFAOYSA-N"
"1798","NC1CCC2(CCNCC2)CC1","[R1]N1CCC2(CCC(CC2)N[R2])CC1","168.284","168.16264864","0.73","12","2","2","2","0","38.05","C10H20N2","InChI=1S/C10H20N2/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9,12H,1-8,11H2","DDFMKJGKLXQGTG-UHFFFAOYSA-N"
"1799","NC1CCC2(CC1)CNC2","[R1]N1CC2(C1)CCC(CC2)N[R2]","140.23","140.131348512","0.01","10","2","2","2","0","38.05","C8H16N2","InChI=1S/C8H16N2/c9-7-1-3-8(4-2-7)5-10-6-8/h7,10H,1-6,9H2","QKNQYXKYXHFEMP-UHFFFAOYSA-N"
"1800","NC1CC2(CNC2)C1","[R1]N1CC2(C1)CC(C2)N[R2]","112.176","112.100048384","-0.7","8","2","2","2","0","38.05","C6H12N2","InChI=1S/C6H12N2/c7-5-1-6(2-5)3-8-4-6/h5,8H,1-4,7H2","LWEPLASGBUWJDR-UHFFFAOYSA-N"
"1801","CCCCCCCCCCCN","[R1]CCCCCCCCCCCN[R2]","171.328","171.1986998","4.33","12","0","1","1","9","26.02","C11H25N","InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3","QFKMMXYLAPZKIB-UHFFFAOYSA-N"
"1802","CCCN1CCN(CCCCCCO)CC1","[R1]CCCN1CCN(CC1)CCCCCCO[R2]","228.38","228.220163516","1.71","16","1","3","1","8","26.71","C13H28N2O","InChI=1S/C13H28N2O/c1-2-7-14-9-11-15(12-10-14)8-5-3-4-6-13-16/h16H,2-13H2,1H3","KDFAVSWJCOUJJZ-UHFFFAOYSA-N"
"1803","CCCN1CCN(CCOCCOCCO)CC1","[R1]CCCN1CCN(CC1)CCOCCOCCO[R2]","260.378","260.209992756","-0.01","18","1","5","1","10","45.17","C13H28N2O3","InChI=1S/C13H28N2O3/c1-2-3-14-4-6-15(7-5-14)8-10-17-12-13-18-11-9-16/h16H,2-13H2,1H3","UDBXHHYPDONXFQ-UHFFFAOYSA-N"
"1804","CCCN(C)CCOCCOCCO","[R1]CCCN(C)CCOCCOCCO[R2]","205.298","205.167793596","0.18","14","0","4","1","10","41.93","C10H23NO3","InChI=1S/C10H23NO3/c1-3-4-11(2)5-7-13-9-10-14-8-6-12/h12H,3-10H2,1-2H3","WGEIFZBNXOFSJP-UHFFFAOYSA-N"
"1806","NCCOCCC=O","[R1]C(=O)CCOCCN[R2]","117.148","117.078978592","-1.43","8","0","3","1","5","52.32","C5H11NO2","InChI=1S/C5H11NO2/c6-2-5-8-4-1-3-7/h3H,1-2,4-6H2","FMMSVMUEFGAAEJ-UHFFFAOYSA-N"
"1807","NCCOCCC(=O)NCCC=O","[R1]C(=O)CCNC(=O)CCOCCN[R2]","188.227","188.116092372","-2.18","13","0","4","2","8","81.42","C8H16N2O3","InChI=1S/C8H16N2O3/c9-3-7-13-6-2-8(12)10-4-1-5-11/h5H,1-4,6-7,9H2,(H,10,12)","BEPBVBPNKSSQLY-UHFFFAOYSA-N"
"1808","NCCOCCC(=O)NCCCC=O","[R1]C(=O)CCCNC(=O)CCOCCN[R2]","202.254","202.131742436","-1.82","14","0","4","2","9","81.42","C9H18N2O3","InChI=1S/C9H18N2O3/c10-4-8-14-7-3-9(13)11-5-1-2-6-12/h6H,1-5,7-8,10H2,(H,11,13)","OYOFIGOYINMSNM-UHFFFAOYSA-N"
"1809","NCCOCCC(=O)NCCCCC=O","[R1]C(=O)CCCCNC(=O)CCOCCN[R2]","216.281","216.1473925","-1.47","15","0","4","2","10","81.42","C10H20N2O3","InChI=1S/C10H20N2O3/c11-5-9-15-8-4-10(14)12-6-2-1-3-7-13/h7H,1-6,8-9,11H2,(H,12,14)","AYMOJEBVAWYXFT-UHFFFAOYSA-N"
"1810","NCCOCCC(=O)NCCCCCC=O","[R1]C(=O)CCCCCNC(=O)CCOCCN[R2]","230.308","230.163042564","-1.11","16","0","4","2","11","81.42","C11H22N2O3","InChI=1S/C11H22N2O3/c12-6-10-16-9-5-11(15)13-7-3-1-2-4-8-14/h8H,1-7,9-10,12H2,(H,13,15)","AZKLMGCWOUYGTE-UHFFFAOYSA-N"
"1811","NCCOCCC(=O)NCCCCCCC=O","C(CCCNC(=O)CCOCCN)CCC=O","244.335","244.178692628","-0.57","17","0","4","2","12","81.42","C12H24N2O3","InChI=1S/C12H24N2O3/c13-7-11-17-10-6-12(16)14-8-4-2-1-3-5-9-15/h9H,1-8,10-11,13H2,(H,14,16)","JYMOGLGNJFCDPA-UHFFFAOYSA-N"
"1812","NCCOCCC(=O)NCCOCCC=O","[R1]C(=O)CCOCCNC(=O)CCOCCN[R2]","232.28","232.14230712","-2.33","16","0","5","2","11","90.65","C10H20N2O4","InChI=1S/C10H20N2O4/c11-3-8-16-7-2-10(14)12-4-9-15-6-1-5-13/h5H,1-4,6-9,11H2,(H,12,14)","OGPVTQJVVRFJIJ-UHFFFAOYSA-N"
"1813","NCCOCCC(=O)NCCOCCOCCC=O","[R1]C(=O)CCOCCOCCNC(=O)CCOCCN[R2]","276.333","276.168521868","-2.48","19","0","6","2","14","99.88","C12H24N2O5","InChI=1S/C12H24N2O5/c13-3-8-18-7-2-12(16)14-4-9-19-11-10-17-6-1-5-15/h5H,1-4,6-11,13H2,(H,14,16)","LSKXXJIHKIFYFO-UHFFFAOYSA-N"
"1814","NCCOCCC(=O)N1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)C(=O)CCOCCN[R2]","243.307","243.158291532","-2.09","17","1","5","1","7","75.87","C11H21N3O3","InChI=1S/C11H21N3O3/c12-2-10-17-9-1-11(16)14-5-3-13(4-6-14)7-8-15/h8H,1-7,9-10,12H2","MMGOHRRYOCFZTJ-UHFFFAOYSA-N"
"1815","NCCOCCOCCC(=O)N1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)C(=O)CCOCCOCCN[R2]","287.36","287.18450628","-2.24","20","1","6","1","10","85.1","C13H25N3O4","InChI=1S/C13H25N3O4/c14-2-10-20-12-11-19-9-1-13(18)16-5-3-15(4-6-16)7-8-17/h8H,1-7,9-12,14H2","LMMUUNBVRKTZJI-UHFFFAOYSA-N"
"1816","NCCOCCOCCOCCC(=O)N1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)C(=O)CCOCCOCCOCCN[R2]","331.413","331.210721028","-2.38","23","1","7","1","13","94.33","C15H29N3O5","InChI=1S/C15H29N3O5/c16-2-10-22-12-14-23-13-11-21-9-1-15(20)18-5-3-17(4-6-18)7-8-19/h8H,1-7,9-14,16H2","DUHQYJDVZILFQB-UHFFFAOYSA-N"
"1817","NCCOCCOCCOCCOCCC(=O)N1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)C(=O)CCOCCOCCOCCOCCN[R2]","375.466","375.236935776","-2.53","26","1","8","1","16","103.56","C17H33N3O6","InChI=1S/C17H33N3O6/c18-2-10-24-12-14-26-16-15-25-13-11-23-9-1-17(22)20-5-3-19(4-6-20)7-8-21/h8H,1-7,9-16,18H2","QTSMXQKYVHFDQW-UHFFFAOYSA-N"
"1818","NCCOCCOCCC(=O)NCCOCCC=O","[R1]C(=O)CCOCCNC(=O)CCOCCOCCN[R2]","276.333","276.168521868","-2.48","19","0","6","2","14","99.88","C12H24N2O5","InChI=1S/C12H24N2O5/c13-3-8-19-11-10-18-7-2-12(16)14-4-9-17-6-1-5-15/h5H,1-4,6-11,13H2,(H,14,16)","YTMSMXHQQFSSQQ-UHFFFAOYSA-N"
"1819","NCCOCCOCCOCCC=O","[R1]C(=O)CCOCCOCCOCCN[R2]","205.254","205.131408088","-1.72","14","0","5","1","11","70.78","C9H19NO4","InChI=1S/C9H19NO4/c10-2-5-13-7-9-14-8-6-12-4-1-3-11/h3H,1-2,4-10H2","PGRFVPHGKLDGEE-UHFFFAOYSA-N"
"1820","CCCCC(=O)N1CCN(CC=O)CC1","[R1]C(=O)CN1CCN(CC1)C(=O)CCCC[R2]","212.293","212.15247788","0.43","15","1","3","0","5","40.62","C11H20N2O2","InChI=1S/C11H20N2O2/c1-2-3-4-11(15)13-7-5-12(6-8-13)9-10-14/h10H,2-9H2,1H3","JKCBYHVDYCTUON-UHFFFAOYSA-N"
"1821","O=CCCCCNC(=O)CN1C=C(CO)N=N1","[R1]C(=O)CCCCNC(=O)CN1C=C(N=N1)CO[R2]","240.263","240.122240372","-1.57","17","1","6","2","8","97.11","C10H16N4O3","InChI=1S/C10H16N4O3/c15-5-3-1-2-4-11-10(17)7-14-6-9(8-16)12-13-14/h5-6,16H,1-4,7-8H2,(H,11,17)","SRBXKKOIQBPATN-UHFFFAOYSA-N"
"1822","NCCOCCOCCC=O","[R1]C(=O)CCOCCOCCN[R2]","161.201","161.10519334","-1.58","11","0","4","1","8","61.55","C7H15NO3","InChI=1S/C7H15NO3/c8-2-5-11-7-6-10-4-1-3-9/h3H,1-2,4-8H2","RSIPSQXYRVJWIX-UHFFFAOYSA-N"
"1823","NC(=O)CCCC1=C[NH]N=N1","[R1]N1C=C(N=N1)CCCC(=O)N[R2]","154.173","154.08546094","-0.83","11","1","3","2","4","84.66","C6H10N4O","InChI=1S/C6H10N4O/c7-6(11)3-1-2-5-4-8-10-9-5/h4H,1-3H2,(H2,7,11)(H,8,9,10)","ANCQFCNQJKOPSA-UHFFFAOYSA-N"
"1824","NCCOCCOCC1=C[NH]N=N1","[R1]N1C=C(N=N1)COCCOCCN[R2]","186.215","186.111675688","-1.73","13","1","5","2","7","86.05","C7H14N4O2","InChI=1S/C7H14N4O2/c8-1-2-12-3-4-13-6-7-5-9-11-10-7/h5H,1-4,6,8H2,(H,9,10,11)","INKNHOXKIWXLOG-UHFFFAOYSA-N"
"1825","CC(=O)NCCN","[R1]CC(=O)NCCN[R2]","102.137","102.07931294","-1.4","7","0","2","2","2","55.12","C4H10N2O","InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)","DAKZISABEDGGSV-UHFFFAOYSA-N"
"1826","CC(=O)NCCCCCN","[R1]CC(=O)NCCCCCN[R2]","144.218","144.126263132","-0.33","10","0","2","2","5","55.12","C7H16N2O","InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)","RMOIHHAKNOFHOE-UHFFFAOYSA-N"
"1827","CC(=O)NCCCCCCCCN","[R1]CC(=O)NCCCCCCCCN[R2]","186.299","186.173213324","1.11","13","0","2","2","8","55.12","C10H22N2O","InChI=1S/C10H22N2O/c1-10(13)12-9-7-5-3-2-4-6-8-11/h2-9,11H2,1H3,(H,12,13)","GWPUBAZPNRZCKG-UHFFFAOYSA-N"
"1828","C#CCOCCC=O","[R1]C(=O)CCOCC#C[R2]","112.128","112.052429496","-0.37","8","0","2","0","4","26.3","C6H8O2","InChI=1S/C6H8O2/c1-2-5-8-6-3-4-7/h1,4H,3,5-6H2","ACFCJNZSJSCCHG-UHFFFAOYSA-N"
"1829","O=CCCOCCOCCO","[R1]C(=O)CCOCCOCCO[R2]","162.185","162.089208928","-1.32","11","0","4","1","8","55.76","C7H14O4","InChI=1S/C7H14O4/c8-2-1-4-10-6-7-11-5-3-9/h2,9H,1,3-7H2","ZKSBNGIEOHASBD-UHFFFAOYSA-N"
"1830","O=CCCOCCOCCOCCO","[R1]C(=O)CCOCCOCCOCCO[R2]","206.238","206.115423676","-1.47","14","0","5","1","11","64.99","C9H18O5","InChI=1S/C9H18O5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h2,11H,1,3-9H2","WIGPMJSXLFKUQC-UHFFFAOYSA-N"
"1831","CC(=O)NCCOCCOCCNC(=O)C1CCNCC1","[R1]CC(=O)NCCOCCOCCNC(=O)C1CCN(CC1)[R2]","301.387","301.200156344","-1.41","21","1","5","3","10","88.69","C14H27N3O4","InChI=1S/C14H27N3O4/c1-12(18)16-6-8-20-10-11-21-9-7-17-14(19)13-2-4-15-5-3-13/h13,15H,2-11H2,1H3,(H,16,18)(H,17,19)","WKHOYEIQDGICBU-UHFFFAOYSA-N"
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"1836","NCCCC=O","[R1]C(=O)CCCN[R2]","87.122","87.068413908","-0.92","6","0","2","1","3","43.09","C4H9NO","InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2","DZQLQEYLEYWJIB-UHFFFAOYSA-N"
"1837","C=O","[R1]C(=O)[R2]","30.026","30.010564684","1.24","2","0","1","0","0","17.07","CH2O","InChI=1S/CH2O/c1-2/h1H2","WSFSSNUMVMOOMR-UHFFFAOYSA-N"
"1838","CN1CCN(C(=O)CC=O)CC1","[R1]C(=O)CC(=O)N1CCN(CC1)C[R2]","170.212","170.105527688","-0.83","12","1","3","0","2","40.62","C8H14N2O2","InChI=1S/C8H14N2O2/c1-9-3-5-10(6-4-9)8(12)2-7-11/h7H,2-6H2,1H3","AQHLKQVQEHNHSQ-UHFFFAOYSA-N"
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"1842","CCOCCCN","[R1]NCCCOCC[R2]","103.165","103.099714036","-0.14","7","0","2","1","4","35.25","C5H13NO","InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3","SOYBEXQHNURCGE-UHFFFAOYSA-N"
"1843","O=COCCOCCOCCOCCOC=O","[R1]C(=O)OCCOCCOCCOCCOC(=O)[R2]","250.247","250.105252916","-0.41","17","0","7","0","14","80.29","C10H18O7","InChI=1S/C10H18O7/c11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-12/h9-10H,1-8H2","FSHLEMVMDIKVQX-UHFFFAOYSA-N"
"1844","CCCCCCCO","[R1]OCCCCCCC[R2]","116.204","116.120115132","2.42","8","0","1","1","5","20.23","C7H16O","InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3","BBMCTIGTTCKYKF-UHFFFAOYSA-N"
"1845","O=CCCCCCO","[R1]OCCCCCC(=O)[R2]","116.16","116.083729624","0.05","8","0","2","1","5","37.3","C6H12O2","InChI=1S/C6H12O2/c7-5-3-1-2-4-6-8/h5,8H,1-4,6H2","FPFTWHJPEMPAGE-UHFFFAOYSA-N"
"1846","O=C(CO)NCCCCO","[R1]OCCCCNC(=O)CO[R2]","147.174","147.089543276","-1.08","10","0","3","3","5","69.56","C6H13NO3","InChI=1S/C6H13NO3/c8-4-2-1-3-7-6(10)5-9/h8-9H,1-5H2,(H,7,10)","CWSYIPMVNYAKIY-UHFFFAOYSA-N"
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"1849","O=C(CO)NCCNC(=O)CO","[R1]OCC(=O)NCCNC(=O)CO[R2]","176.172","176.079706864","-2.45","12","0","4","4","5","98.66","C6H12N2O4","InChI=1S/C6H12N2O4/c9-3-5(11)7-1-2-8-6(12)4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)","JCLARPFRZMLVOV-UHFFFAOYSA-N"
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"1852","CCCC(=O)NCCCN","[R1]NCCCNC(=O)CCC[R2]","144.218","144.126263132","-0.22","10","0","2","2","5","55.12","C7H16N2O","InChI=1S/C7H16N2O/c1-2-4-7(10)9-6-3-5-8/h2-6,8H2,1H3,(H,9,10)","BXJNBUDXKXZPLJ-UHFFFAOYSA-N"
"1853","CCCC(=O)NCCOCCOCCN","[R1]NCCOCCOCCNC(=O)CCC[R2]","218.297","218.163042564","-0.87","15","0","4","2","10","73.58","C10H22N2O3","InChI=1S/C10H22N2O3/c1-2-3-10(13)12-5-7-15-9-8-14-6-4-11/h2-9,11H2,1H3,(H,12,13)","YIMNLRJFSRIXOX-UHFFFAOYSA-N"
"1854","NCCOCCOCCOCCNC(=O)CO","[R1]NCCOCCOCCOCCNC(=O)CO[R2]","250.295","250.152871804","-2.5","17","0","6","3","12","103.04","C10H22N2O5","InChI=1S/C10H22N2O5/c11-1-3-15-5-7-17-8-6-16-4-2-12-10(14)9-13/h13H,1-9,11H2,(H,12,14)","JPFWMCUUVZAANT-UHFFFAOYSA-N"
"1855","C1CCN(C2CCNCC2)CC1","[R1]C1CCN(CC1)C2CCN(CC2)[R2]","168.284","168.16264864","1.23","12","2","2","1","1","15.27","C10H20N2","InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2","QDVBKXJMLILLLB-UHFFFAOYSA-N"
"1856","CC1CCN(C2CNC2)CC1","[R1]CC1CCN(CC1)C2CN(C2)[R2]","154.257","154.146998576","0.96","11","2","2","1","1","15.27","C9H18N2","InChI=1S/C9H18N2/c1-8-2-4-11(5-3-8)9-6-10-7-9/h8-10H,2-7H2,1H3","LSIKSBOLKDWDFG-UHFFFAOYSA-N"
"1857","CC1CCN(CCC2CCNCC2)CC1","[R1]CC1CCN(CC1)CCC2CCN(CC2)[R2]","210.365","210.209598832","2.22","15","2","2","1","3","15.27","C13H26N2","InChI=1S/C13H26N2/c1-12-4-9-15(10-5-12)11-6-13-2-7-14-8-3-13/h12-14H,2-11H2,1H3","ODFRNPPHHZRTHH-UHFFFAOYSA-N"
"1858","CC1CCN(C(=O)CC2CCNCC2)CC1","[R1]CC1CCN(CC1)C(=O)CC2CCN(CC2)[R2]","224.348","224.188863388","1.25","16","2","2","1","2","32.34","C13H24N2O","InChI=1S/C13H24N2O/c1-11-4-8-15(9-5-11)13(16)10-12-2-6-14-7-3-12/h11-12,14H,2-10H2,1H3","NBBGSIUIBNPCHR-UHFFFAOYSA-N"
"1859","C1CCN(CC2CCNCC2)CC1","[R1]C1CCN(CC1)CC2CCN(CC2)[R2]","182.311","182.178298704","1.42","13","2","2","1","2","15.27","C11H22N2","InChI=1S/C11H22N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h11-12H,1-10H2","KQUQJHZJTWYGAQ-UHFFFAOYSA-N"
"1860","C1CCN(CC2CCNCC2)CC1","[R1]C1CCCN(C1)CC2CCN(CC2)[R2]","182.311","182.178298704","1.42","13","2","2","1","2","15.27","C11H22N2","InChI=1S/C11H22N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h11-12H,1-10H2","KQUQJHZJTWYGAQ-UHFFFAOYSA-N"
"1861","CCC1CCN(CC2CCNCC2)CC1","[R1]CCC1CCN(CC1)CC2CCN(CC2)[R2]","210.365","210.209598832","2.4","15","2","2","1","3","15.27","C13H26N2","InChI=1S/C13H26N2/c1-2-12-5-9-15(10-6-12)11-13-3-7-14-8-4-13/h12-14H,2-11H2,1H3","NJQSDJZYFICWJE-UHFFFAOYSA-N"
"1862","C1CN(CC2CCNCC2)C1","[R1]C1CN(C1)CC2CCN(CC2)[R2]","154.257","154.146998576","0.71","11","2","2","1","2","15.27","C9H18N2","InChI=1S/C9H18N2/c1-6-11(7-1)8-9-2-4-10-5-3-9/h9-10H,1-8H2","BOZQIJLZVVMGFR-UHFFFAOYSA-N"
"1863","O=CC1CCN(CC2CCNCC2)CC1","[R1]C(=O)C1CCN(CC1)CC2CCN(CC2)[R2]","210.321","210.173213324","0.54","15","2","3","1","3","32.34","C12H22N2O","InChI=1S/C12H22N2O/c15-10-12-3-7-14(8-4-12)9-11-1-5-13-6-2-11/h10-13H,1-9H2","QARYQLCMEKLJFA-UHFFFAOYSA-N"
"1864","O=CCC1CCN(CC2CCNCC2)CC1","[R1]C(=O)CC1CCN(CC1)CC2CCN(CC2)[R2]","224.348","224.188863388","0.76","16","2","3","1","4","32.34","C13H24N2O","InChI=1S/C13H24N2O/c16-10-5-12-3-8-15(9-4-12)11-13-1-6-14-7-2-13/h10,12-14H,1-9,11H2","LXIJPDXCRCAYFJ-UHFFFAOYSA-N"
"1865","O=CCC1CCN(CC2(F)CCNCC2)CC1","[R1]C(=O)CC1CCN(CC1)CC2(CCN(CC2)[R2])F","242.338","242.179441576","0.73","17","2","3","1","4","32.34","C13H23FN2O","InChI=1S/C13H23FN2O/c14-13(4-6-15-7-5-13)11-16-8-1-12(2-9-16)3-10-17/h10,12,15H,1-9,11H2","YZIIHLMBZCIROC-UHFFFAOYSA-N"
"1866","O=CCC1CCN(CCC2CCNCC2)CC1","[R1]C(=O)CC1CCN(CC1)CCC2CCN(CC2)[R2]","238.375","238.204513452","1.12","17","2","3","1","5","32.34","C14H26N2O","InChI=1S/C14H26N2O/c17-12-6-14-4-10-16(11-5-14)9-3-13-1-7-15-8-2-13/h12-15H,1-11H2","OFOQFHISAGVRRH-UHFFFAOYSA-N"
"1867","NCCOCCOCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCOCCOCCN[R2]","308.375","308.194736616","-1.54","21","0","7","2","18","101.27","C13H28N2O6","InChI=1S/C13H28N2O6/c14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-13-16/h13H,1-12,14H2,(H,15,16)","MPRWBBVZLVIJGJ-UHFFFAOYSA-N"
"1868","COCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOC[R2]","273.333","273.168856216","-0.57","19","1","7","0","12","67.63","C12H23N3O4","InChI=1S/C12H23N3O4/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2/h11H,3-10H2,1-2H3","RLHSTXQOHWUCJQ-UHFFFAOYSA-N"
"1869","COCCOCCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOC[R2]","361.439","361.221285712","-0.86","25","1","9","0","18","86.09","C16H31N3O6","InChI=1S/C16H31N3O6/c1-16-15-19(18-17-16)3-4-21-7-8-23-11-12-25-14-13-24-10-9-22-6-5-20-2/h15H,3-14H2,1-2H3","QHWFHZNLNDKENL-UHFFFAOYSA-N"
"1870","CCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCC[R2]","184.327","184.193948768","2.48","13","1","2","1","6","15.27","C11H24N2","InChI=1S/C11H24N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h12H,2-11H2,1H3","GFFSNSPNXPELQE-UHFFFAOYSA-N"
"1871","CCCCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCCCC[R2]","212.381","212.225248896","3.57","15","1","2","1","8","15.27","C13H28N2","InChI=1S/C13H28N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h14H,2-13H2,1H3","JXSIBFCQEWUEDI-UHFFFAOYSA-N"
"1872","CCCCCCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCCCCCC[R2]","240.435","240.256549024","4.65","17","1","2","1","10","15.27","C15H32N2","InChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-14-11-16-12-15-17/h16H,2-15H2,1H3","FRXJFWKZDKKRIP-UHFFFAOYSA-N"
"1873","CCCCCCCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCCCCCCC[R2]","254.462","254.272199088","5.19","18","1","2","1","11","15.27","C16H34N2","InChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-17-13-16-18/h17H,2-16H2,1H3","IVMJRWXDWPCKHS-UHFFFAOYSA-N"
"1874","CCCCCCCCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCCCCCCCC[R2]","268.489","268.287849152","5.73","19","1","2","1","12","15.27","C17H36N2","InChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16-13-18-14-17-19/h18H,2-17H2,1H3","IBJXOYDWABRYGK-UHFFFAOYSA-N"
"1875","CCCCCCCCCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCCCCCCCCC[R2]","282.516","282.303499216","6.27","20","1","2","1","13","15.27","C18H38N2","InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17-14-19-15-18-20/h19H,2-18H2,1H3","JSLGTGABAFGQEF-UHFFFAOYSA-N"
"1876","CCCCCCCCCN1CCN(C2CCNCC2)CC1","[R1]N1CCC(CC1)N2CCN(CC2)CCCCCCCCC[R2]","295.515","295.298748184","4.16","21","2","3","1","9","18.51","C18H37N3","InChI=1S/C18H37N3/c1-2-3-4-5-6-7-8-13-20-14-16-21(17-15-20)18-9-11-19-12-10-18/h18-19H,2-17H2,1H3","LYLRNVVRRZBVEB-UHFFFAOYSA-N"
"1877","CCCN1CCN(CC2CCNCC2)CC1","[R1]N1CCC(CC1)CN2CCN(CC2)CCC[R2]","225.38","225.220497864","1.28","16","2","3","1","4","18.51","C13H27N3","InChI=1S/C13H27N3/c1-2-7-15-8-10-16(11-9-15)12-13-3-5-14-6-4-13/h13-14H,2-12H2,1H3","CAHXKJZLGGNRRA-UHFFFAOYSA-N"
"1878","CCCCCN1CCN(CC2CCNCC2)CC1","[R1]N1CCC(CC1)CN2CCN(CC2)CCCCC[R2]","253.434","253.251797992","2.18","18","2","3","1","6","18.51","C15H31N3","InChI=1S/C15H31N3/c1-2-3-4-9-17-10-12-18(13-11-17)14-15-5-7-16-8-6-15/h15-16H,2-14H2,1H3","WTSDLRTVHQUUOX-UHFFFAOYSA-N"
"1879","CCCCCCCCN1CCN(CC2CCNCC2)CC1","[R1]N1CCC(CC1)CN2CCN(CC2)CCCCCCCC[R2]","295.515","295.298748184","3.81","21","2","3","1","9","18.51","C18H37N3","InChI=1S/C18H37N3/c1-2-3-4-5-6-7-12-20-13-15-21(16-14-20)17-18-8-10-19-11-9-18/h18-19H,2-17H2,1H3","KWQUNIAYLOWREN-UHFFFAOYSA-N"
"1880","CCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCC[R2]","242.363","242.199428072","1.76","17","1","3","1","7","43.78","C13H26N2O2","InChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)13(17)12-16/h16H,2-12H2,1H3","HVBDDYRLHNECTG-UHFFFAOYSA-N"
"1881","CCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCC[R2]","256.39","256.215078136","2.3","18","1","3","1","8","43.78","C14H28N2O2","InChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)14(18)13-17/h17H,2-13H2,1H3","RXMUAQAFLNPPJY-UHFFFAOYSA-N"
"1882","CCCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCCC[R2]","270.417","270.2307282","2.84","19","1","3","1","9","43.78","C15H30N2O2","InChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)15(19)14-18/h18H,2-14H2,1H3","OGMQJVLAAWYQLX-UHFFFAOYSA-N"
"1883","CCCCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCCCC[R2]","284.444","284.246378264","3.38","20","1","3","1","10","43.78","C16H32N2O2","InChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)16(20)15-19/h19H,2-15H2,1H3","NJRWJGZVFBHELJ-UHFFFAOYSA-N"
"1884","CCCCCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCCCCC[R2]","298.471","298.262028328","3.92","21","1","3","1","11","43.78","C17H34N2O2","InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)17(21)16-20/h20H,2-16H2,1H3","MZWLJWQIDGTZDQ-UHFFFAOYSA-N"
"1885","CCCCCCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCCCCCC[R2]","312.498","312.277678392","4.47","22","1","3","1","12","43.78","C18H36N2O2","InChI=1S/C18H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)18(22)17-21/h21H,2-17H2,1H3","WMVIPIUNCZMKEY-UHFFFAOYSA-N"
"1886","CCCCCCCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCCCCCCC[R2]","326.525","326.293328456","5.01","23","1","3","1","13","43.78","C19H38N2O2","InChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)19(23)18-22/h22H,2-18H2,1H3","VXKJBLWZEDRCCW-UHFFFAOYSA-N"
"1887","CCCCCCCCCCCCCCN1CCN(C(=O)CO)CC1","[R1]OCC(=O)N1CCN(CC1)CCCCCCCCCCCCCC[R2]","340.552","340.30897852","5.55","24","1","3","1","14","43.78","C20H40N2O2","InChI=1S/C20H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)20(24)19-23/h23H,2-19H2,1H3","MBZBLWKCRRLMRK-UHFFFAOYSA-N"
"1888","CCN1CCN(CC2CCN(C(=O)CO)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCN(CC2)CC[R2]","269.389","269.210327104","0.03","19","2","4","1","4","47.02","C14H27N3O2","InChI=1S/C14H27N3O2/c1-2-15-7-9-16(10-8-15)11-13-3-5-17(6-4-13)14(19)12-18/h13,18H,2-12H2,1H3","YDDKSKYQOHBCKC-UHFFFAOYSA-N"
"1889","CCCN1CCN(CC2CCN(C(=O)CO)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCN(CC2)CCC[R2]","283.416","283.225977168","0.56","20","2","4","1","5","47.02","C15H29N3O2","InChI=1S/C15H29N3O2/c1-2-5-16-8-10-17(11-9-16)12-14-3-6-18(7-4-14)15(20)13-19/h14,19H,2-13H2,1H3","CPCCORWZYABHFQ-UHFFFAOYSA-N"
"1890","CCCCN1CCN(CC2CCN(C(=O)CO)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCN(CC2)CCCC[R2]","297.443","297.241627232","0.92","21","2","4","1","6","47.02","C16H31N3O2","InChI=1S/C16H31N3O2/c1-2-3-6-17-9-11-18(12-10-17)13-15-4-7-19(8-5-15)16(21)14-20/h15,20H,2-14H2,1H3","IFWMOKWWGHZGGH-UHFFFAOYSA-N"
"1891","CCCCCN1CCN(CC2CCN(C(=O)CO)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCN(CC2)CCCCC[R2]","311.47","311.257277296","1.46","22","2","4","1","7","47.02","C17H33N3O2","InChI=1S/C17H33N3O2/c1-2-3-4-7-18-10-12-19(13-11-18)14-16-5-8-20(9-6-16)17(22)15-21/h16,21H,2-15H2,1H3","IQWOSDIYUHXOOC-UHFFFAOYSA-N"
"1892","CCCCCCN1CCN(CC2CCN(C(=O)CO)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCN(CC2)CCCCCC[R2]","325.497","325.27292736","2","23","2","4","1","8","47.02","C18H35N3O2","InChI=1S/C18H35N3O2/c1-2-3-4-5-8-19-11-13-20(14-12-19)15-17-6-9-21(10-7-17)18(23)16-22/h17,22H,2-16H2,1H3","NCYDACDUZFWNOF-UHFFFAOYSA-N"
"1893","O=C(CO)N1CCC(CN2CCC(CN3CCNCC3)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)[R2]","338.496","338.268176328","-0.02","24","3","5","2","5","59.05","C18H34N4O2","InChI=1S/C18H34N4O2/c23-15-18(24)22-9-3-17(4-10-22)13-20-7-1-16(2-8-20)14-21-11-5-19-6-12-21/h16-17,19,23H,1-15H2","ILDPATPKKUCZQP-UHFFFAOYSA-N"
"1894","NC1CCN(CC2CCN(CC3CCN(C(=O)CO)CC3)CC2)CC1","[R1]OCC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCC(CC3)N[R2]","352.523","352.283826392","0.25","25","3","5","2","5","73.04","C19H36N4O2","InChI=1S/C19H36N4O2/c20-18-5-9-22(10-6-18)13-16-1-7-21(8-2-16)14-17-3-11-23(12-4-17)19(25)15-24/h16-18,24H,1-15,20H2","PDJIBNGGAPZHLX-UHFFFAOYSA-N"
"1895","C#CCCCNC(C)=O","[R1]CC(=O)NCCCC#C[R2]","125.171","125.084063972","0.47","9","0","1","1","3","29.1","C7H11NO","InChI=1S/C7H11NO/c1-3-4-5-6-8-7(2)9/h1H,4-6H2,2H3,(H,8,9)","PHKPHTDQGXMZLX-UHFFFAOYSA-N"
"1896","C#CCCCCNC(C)=O","[R1]CC(=O)NCCCCC#C[R2]","139.198","139.099714036","0.83","10","0","1","1","4","29.1","C8H13NO","InChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h1H,4-7H2,2H3,(H,9,10)","JVGIKABPCMMNLM-UHFFFAOYSA-N"
"1897","C#CCCCCCNC(C)=O","[R1]CC(=O)NCCCCCC#C[R2]","153.225","153.1153641","1.37","11","0","1","1","5","29.1","C9H15NO","InChI=1S/C9H15NO/c1-3-4-5-6-7-8-10-9(2)11/h1H,4-8H2,2H3,(H,10,11)","GXYIXLPSWRUPSG-UHFFFAOYSA-N"
"1898","C#CCNC","[R1]CNCC#C[R2]","69.107","69.057849224","-0.09","5","0","1","1","1","12.03","C4H7N","InChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3","HQFYIDOMCULPIW-UHFFFAOYSA-N"
"1899","C#CCCNC","[R1]CNCCC#C[R2]","83.134","83.073499288","0.37","6","0","1","1","2","12.03","C5H9N","InChI=1S/C5H9N/c1-3-4-5-6-2/h1,6H,4-5H2,2H3","OOFSDSHCWBZGQL-UHFFFAOYSA-N"
"1900","C#CCCCNC","[R1]CNCCCC#C[R2]","97.161","97.089149352","0.73","7","0","1","1","3","12.03","C6H11N","InChI=1S/C6H11N/c1-3-4-5-6-7-2/h1,7H,4-6H2,2H3","CDHPRJMTVOIFIZ-UHFFFAOYSA-N"
"1901","C#CCCCCNC","[R1]CNCCCCC#C[R2]","111.188","111.104799416","1.09","8","0","1","1","4","12.03","C7H13N","InChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h1,8H,4-7H2,2H3","UGRPKEHBPQRPPX-UHFFFAOYSA-N"
"1902","C#CCCCCCNC","[R1]CNCCCCCC#C[R2]","125.215","125.12044948","1.63","9","0","1","1","5","12.03","C8H15N","InChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h1,9H,4-8H2,2H3","LKUXRFZZQBLOEM-UHFFFAOYSA-N"
"1903","CCCNC","[R1]CNCCC[R2]","73.139","73.089149352","0.69","5","0","1","1","2","12.03","C4H11N","InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3","GVWISOJSERXQBM-UHFFFAOYSA-N"
"1904","CCCCNC","[R1]CNCCCC[R2]","87.166","87.104799416","1.05","6","0","1","1","3","12.03","C5H13N","InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3","QCOGKXLOEWLIDC-UHFFFAOYSA-N"
"1905","CCCCCNC","[R1]CNCCCCC[R2]","101.193","101.12044948","1.59","7","0","1","1","4","12.03","C6H15N","InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3","UOIWOHLIGKIYFE-UHFFFAOYSA-N"
"1906","CCCCCCNC","[R1]CNCCCCCC[R2]","115.22","115.136099544","2.13","8","0","1","1","5","12.03","C7H17N","InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3","XJINZNWPEQMMBV-UHFFFAOYSA-N"
"1907","CCCCCCCNC","[R1]CNCCCCCCC[R2]","129.247","129.151749608","2.67","9","0","1","1","6","12.03","C8H19N","InChI=1S/C8H19N/c1-3-4-5-6-7-8-9-2/h9H,3-8H2,1-2H3","LTGYRKOQQQWWAF-UHFFFAOYSA-N"
"1908","CCCCN(C)C","[R1]CN(C)CCCC[R2]","101.193","101.12044948","1.51","7","0","1","0","3","3.24","C6H15N","InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3","DJEQZVQFEPKLOY-UHFFFAOYSA-N"
"1909","CCC(=O)CO","[R1]CCC(=O)CO[R2]","88.106","88.052429496","-0.24","6","0","2","1","2","37.3","C4H8O2","InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","GFAZHVHNLUBROE-UHFFFAOYSA-N"
"1910","O=CCCCCNC(=O)CO","[R1]C(=O)CCCCNC(=O)CO[R2]","159.185","159.089543276","-0.96","11","0","3","2","6","66.4","C7H13NO3","InChI=1S/C7H13NO3/c9-5-3-1-2-4-8-7(11)6-10/h5,10H,1-4,6H2,(H,8,11)","IVIZOKCONYVIRG-UHFFFAOYSA-N"
"1911","O=CCCCCCCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCCCCNC(=O)CO[R2]","243.347","243.18344366","2.1","17","0","3","2","12","66.4","C13H25NO3","InChI=1S/C13H25NO3/c15-11-9-7-5-3-1-2-4-6-8-10-14-13(17)12-16/h11,16H,1-10,12H2,(H,14,17)","KKGMOTOHVCLTPV-UHFFFAOYSA-N"
"1912","O=CCCCCCCCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCCCCCNC(=O)CO[R2]","257.374","257.199093724","2.64","18","0","3","2","13","66.4","C14H27NO3","InChI=1S/C14H27NO3/c16-12-10-8-6-4-2-1-3-5-7-9-11-15-14(18)13-17/h12,17H,1-11,13H2,(H,15,18)","OHTNNESLVSGOLT-UHFFFAOYSA-N"
"1913","NCC(=O)NCCCCCCCCCCC=O","C(CCCCCNC(=O)CN)CCCCC=O","242.363","242.199428072","1.84","17","0","3","2","12","72.19","C13H26N2O2","InChI=1S/C13H26N2O2/c14-12-13(17)15-10-8-6-4-2-1-3-5-7-9-11-16/h11H,1-10,12,14H2,(H,15,17)","KRMUMKPPARTYMJ-UHFFFAOYSA-N"
"1914","O=CCOCCOCCOCCNC(=O)CO","[R1]C(=O)COCCOCCOCCNC(=O)CO[R2]","249.263","249.121237328","-2.02","17","0","6","2","12","94.09","C10H19NO6","InChI=1S/C10H19NO6/c12-2-4-16-6-8-17-7-5-15-3-1-11-10(14)9-13/h2,13H,1,3-9H2,(H,11,14)","RWBADFLVOPAZFF-UHFFFAOYSA-N"
"1915","O=CCCCCNC(=O)CCCCNC(=O)CO","[R1]C(=O)CCCCNC(=O)CCCCNC(=O)CO[R2]","258.318","258.157957184","-1","18","0","4","3","11","95.5","C12H22N2O4","InChI=1S/C12H22N2O4/c15-9-5-1-3-7-13-11(17)6-2-4-8-14-12(18)10-16/h9,16H,1-8,10H2,(H,13,17)(H,14,18)","GKQXBNJLWQLYOI-UHFFFAOYSA-N"
"1916","O=CCCCCCNC(=O)CCCCCNC(=O)CO","[R1]C(=O)CCCCCNC(=O)CCCCCNC(=O)CO[R2]","286.372","286.189257312","-0.29","20","0","4","3","13","95.5","C14H26N2O4","InChI=1S/C14H26N2O4/c17-11-7-2-1-5-9-15-13(19)8-4-3-6-10-16-14(20)12-18/h11,18H,1-10,12H2,(H,15,19)(H,16,20)","VOOXGCMUOPPTBH-UHFFFAOYSA-N"
"1917","O=CCCCCCCNC(=O)CCCCCCNC(=O)CO","[R1]C(=O)CCCCCCNC(=O)CCCCCCNC(=O)CO[R2]","314.426","314.22055744","0.8","22","0","4","3","15","95.5","C16H30N2O4","InChI=1S/C16H30N2O4/c19-13-9-5-1-3-7-11-17-15(21)10-6-2-4-8-12-18-16(22)14-20/h13,20H,1-12,14H2,(H,17,21)(H,18,22)","GQEJPZBBGISQLV-UHFFFAOYSA-N"
"1918","O=CCCCCCCCNC(=O)CCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCNC(=O)CCCCCCNC(=O)CO[R2]","328.453","328.236207504","1.34","23","0","4","3","16","95.5","C17H32N2O4","InChI=1S/C17H32N2O4/c20-14-10-6-2-1-4-8-12-18-16(22)11-7-3-5-9-13-19-17(23)15-21/h14,21H,1-13,15H2,(H,18,22)(H,19,23)","HWNVMBOXLDOMOM-UHFFFAOYSA-N"
"1919","O=CCCCCCCCCNC(=O)CCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2]","342.48","342.251857568","1.88","24","0","4","3","17","95.5","C18H34N2O4","InChI=1S/C18H34N2O4/c21-15-11-7-3-1-2-5-9-13-19-17(23)12-8-4-6-10-14-20-18(24)16-22/h15,22H,1-14,16H2,(H,19,23)(H,20,24)","QUIBUIRRXRCESY-UHFFFAOYSA-N"
"1920","O=CCCCCCCCCCNC(=O)CCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2]","356.507","356.267507632","2.42","25","0","4","3","18","95.5","C19H36N2O4","InChI=1S/C19H36N2O4/c22-16-12-8-4-2-1-3-6-10-14-20-18(24)13-9-5-7-11-15-21-19(25)17-23/h16,23H,1-15,17H2,(H,20,24)(H,21,25)","XBIKHUVNQISIJI-UHFFFAOYSA-N"
"1921","O=CCCCCCCCCCCNC(=O)CCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2]","370.534","370.283157696","2.96","26","0","4","3","19","95.5","C20H38N2O4","InChI=1S/C20H38N2O4/c23-17-13-9-5-3-1-2-4-7-11-15-21-19(25)14-10-6-8-12-16-22-20(26)18-24/h17,24H,1-16,18H2,(H,21,25)(H,22,26)","GLOFXXRBRKJRKJ-UHFFFAOYSA-N"
"1922","O=CCCCCCCCCCCCNC(=O)CCCCCCNC(=O)CO","[R1]C(=O)CCCCCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2]","384.561","384.29880776","3.5","27","0","4","3","20","95.5","C21H40N2O4","InChI=1S/C21H40N2O4/c24-18-14-10-6-4-2-1-3-5-8-12-16-22-20(26)15-11-7-9-13-17-23-21(27)19-25/h18,25H,1-17,19H2,(H,22,26)(H,23,27)","NMBKHHJRYJAHAR-UHFFFAOYSA-N"
"1923","NCC(=O)NCCCCC(=O)NCCCCC=O","[R1]C(=O)CCCCNC(=O)CCCCNC(=O)CN[R2]","257.334","257.173941596","-1.26","18","0","4","3","11","101.29","C12H23N3O3","InChI=1S/C12H23N3O3/c13-10-12(18)15-8-4-2-6-11(17)14-7-3-1-5-9-16/h9H,1-8,10,13H2,(H,14,17)(H,15,18)","DKFPDJNGEDWIOP-UHFFFAOYSA-N"
"1924","NCC(=O)NCCCCCC(=O)NCCCCCC=O","[R1]C(=O)CCCCCNC(=O)CCCCCNC(=O)CN[R2]","285.388","285.205241724","-0.54","20","0","4","3","13","101.29","C14H27N3O3","InChI=1S/C14H27N3O3/c15-12-14(20)17-10-6-3-4-8-13(19)16-9-5-1-2-7-11-18/h11H,1-10,12,15H2,(H,16,19)(H,17,20)","OIQNTUQVPBSRJF-UHFFFAOYSA-N"
"1925","NCC(=O)NCCCCCCC(=O)NCCCCCCC=O","[R1]C(=O)CCCCCCNC(=O)CCCCCCNC(=O)CN[R2]","313.442","313.236541852","0.54","22","0","4","3","15","101.29","C16H31N3O3","InChI=1S/C16H31N3O3/c17-14-16(22)19-12-8-4-2-6-10-15(21)18-11-7-3-1-5-9-13-20/h13H,1-12,14,17H2,(H,18,21)(H,19,22)","LCCRQXBTJTVTJK-UHFFFAOYSA-N"
"1926","NCC(=O)NCCCCCCC(=O)NCCCCCCCC=O","[R1]C(=O)CCCCCCCNC(=O)CCCCCCNC(=O)CN[R2]","327.469","327.252191916","1.08","23","0","4","3","16","101.29","C17H33N3O3","InChI=1S/C17H33N3O3/c18-15-17(23)20-13-9-5-3-7-11-16(22)19-12-8-4-1-2-6-10-14-21/h14H,1-13,15,18H2,(H,19,22)(H,20,23)","WTVAUWMOEMJLIW-UHFFFAOYSA-N"
"1927","NCC(=O)NCCCCCCC(=O)NCCCCCCCCC=O","[R1]C(=O)CCCCCCCCNC(=O)CCCCCCNC(=O)CN[R2]","341.496","341.26784198","1.62","24","0","4","3","17","101.29","C18H35N3O3","InChI=1S/C18H35N3O3/c19-16-18(24)21-14-10-6-4-8-12-17(23)20-13-9-5-2-1-3-7-11-15-22/h15H,1-14,16,19H2,(H,20,23)(H,21,24)","NMRAVRBKNDQFNP-UHFFFAOYSA-N"
"1928","NCC(=O)NCCCCCCC(=O)NCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCNC(=O)CCCCCCNC(=O)CN[R2]","355.523","355.283492044","2.16","25","0","4","3","18","101.29","C19H37N3O3","InChI=1S/C19H37N3O3/c20-17-19(25)22-15-11-7-5-9-13-18(24)21-14-10-6-3-1-2-4-8-12-16-23/h16H,1-15,17,20H2,(H,21,24)(H,22,25)","XYHZWCWCMAZRCX-UHFFFAOYSA-N"
"1929","NCC(=O)NCCCCCCC(=O)NCCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCNC(=O)CCCCCCNC(=O)CN[R2]","369.55","369.299142108","2.71","26","0","4","3","19","101.29","C20H39N3O3","InChI=1S/C20H39N3O3/c21-18-20(26)23-16-12-8-6-10-14-19(25)22-15-11-7-4-2-1-3-5-9-13-17-24/h17H,1-16,18,21H2,(H,22,25)(H,23,26)","RXACZCHWGCKAMZ-UHFFFAOYSA-N"
"1930","NCC(=O)NCCCCCCCCCCCC(=O)NCCCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCCNC(=O)CN[R2]","453.712","453.393042492","5.95","32","0","4","3","25","101.29","C26H51N3O3","InChI=1S/C26H51N3O3/c27-24-26(32)29-22-18-14-10-6-3-4-8-12-16-20-25(31)28-21-17-13-9-5-1-2-7-11-15-19-23-30/h23H,1-22,24,27H2,(H,28,31)(H,29,32)","UNDJHMRXFHSNGB-UHFFFAOYSA-N"
"1931","OCCOCCOCC1=C[NH]N=N1","[R1]N1C=C(N=N1)COCCOCCO[R2]","187.199","187.095691276","-1.47","13","1","5","2","7","80.26","C7H13N3O3","InChI=1S/C7H13N3O3/c11-1-2-12-3-4-13-6-7-5-8-10-9-7/h5,11H,1-4,6H2,(H,8,9,10)","RGSMDXPPUNQQKM-UHFFFAOYSA-N"
"1932","C#CCCCCCNCC","[R1]CCNCCCCCC#C[R2]","139.242","139.136099544","2","10","0","1","1","6","12.03","C9H17N","InChI=1S/C9H17N/c1-3-5-6-7-8-9-10-4-2/h1,10H,4-9H2,2H3","IUDHPDNVFLSQKK-UHFFFAOYSA-N"
"1933","C#CCCCCCN1CCCCC1","[R1]C1CCN(CC1)CCCCCC#C[R2]","179.307","179.167399672","2.94","13","1","1","0","5","3.24","C12H21N","InChI=1S/C12H21N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h1H,3-12H2","AHMUVLGSUFSBMA-UHFFFAOYSA-N"
"1934","C#CCCCN1CCCCC1","[R1]C1CCN(CC1)CCCC#C[R2]","151.253","151.136099544","2.04","11","1","1","0","3","3.24","C10H17N","InChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h1H,3-10H2","KMDYARPMWDUWBL-UHFFFAOYSA-N"
"1935","C#CCN1CCCCC1","[R1]C1CCN(CC1)CC#C[R2]","123.199","123.104799416","1.22","9","1","1","0","1","3.24","C8H13N","InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h1H,3-8H2","LQSQLFOKTMSBEC-UHFFFAOYSA-N"
"1936","C1CCN(CC2CNC2)CC1","[R1]C1CCN(CC1)CC2CN(C2)[R2]","154.257","154.146998576","0.71","11","2","2","1","2","15.27","C9H18N2","InChI=1S/C9H18N2/c1-2-4-11(5-3-1)8-9-6-10-7-9/h9-10H,1-8H2","PPEXSODXXKAIIK-UHFFFAOYSA-N"
"1937","CN1C=CN=N1","[R1]C1=CN(N=N1)C[R2]","83.094","83.04834716","-0.31","6","1","3","0","0","30.71","C3H5N3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","JWAWEQBUZOGIBZ-UHFFFAOYSA-N"
"1938","CCCN1C=CN=N1","[R1]C1=CN(N=N1)CCC[R2]","111.148","111.079647288","0.52","8","1","3","0","2","30.71","C5H9N3","InChI=1S/C5H9N3/c1-2-4-8-5-3-6-7-8/h3,5H,2,4H2,1H3","VAUFFDKLUVJZTG-UHFFFAOYSA-N"
"1939","CCCCCN1C=CN=N1","[R1]C1=CN(N=N1)CCCCC[R2]","139.202","139.110947416","1.42","10","1","3","0","4","30.71","C7H13N3","InChI=1S/C7H13N3/c1-2-3-4-6-10-7-5-8-9-10/h5,7H,2-4,6H2,1H3","VWSWXWDRIFCYPV-UHFFFAOYSA-N"
"1940","O=CCN1C=CN=N1","[R1]C1=CN(N=N1)CC(=O)[R2]","111.104","111.04326178","-0.68","8","1","4","0","2","47.78","C4H5N3O","InChI=1S/C4H5N3O/c8-4-3-7-2-1-5-6-7/h1-2,4H,3H2","ANCQJBPHZWXFJP-UHFFFAOYSA-N"
"1941","O=CCCCN1C=CN=N1","[R1]C1=CN(N=N1)CCCC(=O)[R2]","139.158","139.074561908","-0.59","10","1","4","0","4","47.78","C6H9N3O","InChI=1S/C6H9N3O/c10-6-2-1-4-9-5-3-7-8-9/h3,5-6H,1-2,4H2","KWLXQGVJYWRPGH-UHFFFAOYSA-N"
"1942","O=CCCCCCN1C=CN=N1","[R1]C1=CN(N=N1)CCCCCC(=O)[R2]","167.212","167.105862036","0.13","12","1","4","0","6","47.78","C8H13N3O","InChI=1S/C8H13N3O/c12-8-4-2-1-3-6-11-7-5-9-10-11/h5,7-8H,1-4,6H2","CXPBXMIRZWFURR-UHFFFAOYSA-N"
"1943","NCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCN[R2]","200.242","200.127325752","-1.61","14","1","6","1","8","75.19","C8H16N4O2","InChI=1S/C8H16N4O2/c9-1-5-13-7-8-14-6-4-12-3-2-10-11-12/h2-3H,1,4-9H2","AJZSSIRUDYTPPS-UHFFFAOYSA-N"
"1944","NCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCN[R2]","244.295","244.1535405","-1.76","17","1","7","1","11","84.42","C10H20N4O3","InChI=1S/C10H20N4O3/c11-1-5-15-7-9-17-10-8-16-6-4-14-3-2-12-13-14/h2-3H,1,4-11H2","YURNLLQGMKGWEN-UHFFFAOYSA-N"
"1945","NCCOCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCOCCN[R2]","288.348","288.179755248","-1.91","20","1","8","1","14","93.65","C12H24N4O4","InChI=1S/C12H24N4O4/c13-1-5-17-7-9-19-11-12-20-10-8-18-6-4-16-3-2-14-15-16/h2-3H,1,4-13H2","CQXZJAZAXHAZMB-UHFFFAOYSA-N"
"1946","CC(=O)NCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCNC(=O)C[R2]","242.279","242.137890436","-1.36","17","1","6","1","9","78.27","C10H18N4O3","InChI=1S/C10H18N4O3/c1-10(15)11-3-6-16-8-9-17-7-5-14-4-2-12-13-14/h2,4H,3,5-9H2,1H3,(H,11,15)","XAEXYIOOYAQCQC-UHFFFAOYSA-N"
"1947","CC(=O)NCCOCCOCCOCCOCCN1C=CN=N1","[R1]C1=CN(N=N1)CCOCCOCCOCCOCCNC(=O)C[R2]","330.385","330.190319932","-1.65","23","1","8","1","15","96.73","C14H26N4O5","InChI=1S/C14H26N4O5/c1-14(19)15-3-6-20-8-10-22-12-13-23-11-9-21-7-5-18-4-2-16-17-18/h2,4H,3,5-13H2,1H3,(H,15,19)","MDUODKURUCYYOG-UHFFFAOYSA-N"
"1948","CCCCOCCC","[R1]CCCCOCCC[R2]","116.204","116.120115132","2.22","8","0","1","0","5","9.23","C7H16O","InChI=1S/C7H16O/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3","YGZQJYIITOMTMD-UHFFFAOYSA-N"
"1949","CCCCCCOCCCCCCOCC","[R1]CCCCCCOCCCCCCOCC[R2]","230.392","230.2245802","4.06","16","0","2","0","13","18.46","C14H30O2","InChI=1S/C14H30O2/c1-3-5-6-9-13-16-14-11-8-7-10-12-15-4-2/h3-14H2,1-2H3","FMNKOORGQCZDDH-UHFFFAOYSA-N"
"1950","CCCCCCOCCCCCCOCCCCCC","[R1]CCCCCCOCCCCCCOCCCCCC[R2]","286.5","286.287180456","6.03","20","0","2","0","17","18.46","C18H38O2","InChI=1S/C18H38O2/c1-3-5-7-11-15-19-17-13-9-10-14-18-20-16-12-8-6-4-2/h3-18H2,1-2H3","OPKBMPZQIWTUHB-UHFFFAOYSA-N"
"1951","CCCCCCOCCCCCCOC","[R1]COCCCCCCOCCCCCC[R2]","216.365","216.208930136","3.69","15","0","2","0","12","18.46","C13H28O2","InChI=1S/C13H28O2/c1-3-4-5-9-12-15-13-10-7-6-8-11-14-2/h3-13H2,1-2H3","GICBTTLLBOJUPJ-UHFFFAOYSA-N"
"1952","CCCCCCOCCCCCOCCCC","[R1]CCCCOCCCCCOCCCCCC[R2]","244.419","244.240230264","4.59","17","0","2","0","14","18.46","C15H32O2","InChI=1S/C15H32O2/c1-3-5-7-9-13-17-15-11-8-10-14-16-12-6-4-2/h3-15H2,1-2H3","BFTNUQIEWVRTCA-UHFFFAOYSA-N"
"1953","CCCCCCOCCCCCCOCCCCC","[R1]CCCCCOCCCCCCOCCCCCC[R2]","272.473","272.271530392","5.49","19","0","2","0","16","18.46","C17H36O2","InChI=1S/C17H36O2/c1-3-5-7-11-15-19-17-13-9-8-12-16-18-14-10-6-4-2/h3-17H2,1-2H3","QGMIIQRSLFEZNE-UHFFFAOYSA-N"
"1954","CCCCCCOCCCCCCOCC","[R1]CCOCCCCCCOCCCCCC[R2]","230.392","230.2245802","4.06","16","0","2","0","13","18.46","C14H30O2","InChI=1S/C14H30O2/c1-3-5-6-9-13-16-14-11-8-7-10-12-15-4-2/h3-14H2,1-2H3","FMNKOORGQCZDDH-UHFFFAOYSA-N"
"1955","CCCCCCOCCCCCOCCCCC","[R1]CCCCCOCCCCCOCCCCCC[R2]","258.446","258.255880328","5.13","18","0","2","0","15","18.46","C16H34O2","InChI=1S/C16H34O2/c1-3-5-7-10-14-18-16-12-8-11-15-17-13-9-6-4-2/h3-16H2,1-2H3","KDUUQQCQQVVSBB-UHFFFAOYSA-N"
"1956","CCC1=CC=CC=C1CN","[R1]NCC1=CC=CC=C1CC[R2]","135.21","135.104799416","1.58","10","1","1","1","2","26.02","C9H13N","InChI=1S/C9H13N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7,10H2,1H3","JPYXQNWIQIBLJT-UHFFFAOYSA-N"
"1957","CC1=CC=CC(CN)=C1","[R1]NCC1=CC=CC(=C1)C[R2]","121.183","121.089149352","1.14","9","1","1","1","1","26.02","C8H11N","InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3","RGXUCUWVGKLACF-UHFFFAOYSA-N"
"1958","NCC1=CC=CC=C1","[R1]NCC1=CC=C(C=C1)[R2]","107.156","107.073499288","0.78","8","1","1","1","1","26.02","C7H9N","InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2","WGQKYBSKWIADBV-UHFFFAOYSA-N"
"1959","CCOC=O","[R1]CCOC(=O)[R2]","74.079","74.036779432","0.5","5","0","2","0","2","26.3","C3H6O2","InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","WBJINCZRORDGAQ-UHFFFAOYSA-N"
"1960","CCOCCOC=O","[R1]CCOCCOC(=O)[R2]","118.132","118.06299418","0.35","8","0","3","0","5","35.53","C5H10O3","InChI=1S/C5H10O3/c1-2-7-3-4-8-5-6/h5H,2-4H2,1H3","UVHLIWWHXLBKPQ-UHFFFAOYSA-N"
"1961","CCOCCOCCOC=O","[R1]CCOCCOCCOC(=O)[R2]","162.185","162.089208928","0.2","11","0","4","0","8","44.76","C7H14O4","InChI=1S/C7H14O4/c1-2-9-3-4-10-5-6-11-7-8/h7H,2-6H2,1H3","JMPHTGQHXFBIHZ-UHFFFAOYSA-N"
"1962","CCOCCOCC(N)=O","[R1]CCOCCOCC(=O)N[R2]","147.174","147.089543276","-0.76","10","0","3","1","6","61.55","C6H13NO3","InChI=1S/C6H13NO3/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H2,7,8)","NHCPQLWQFVVDHX-UHFFFAOYSA-N"
"1963","CCOCCOCCOCC(N)=O","[R1]CCOCCOCCOCC(=O)N[R2]","191.227","191.115758024","-0.91","13","0","4","1","9","70.78","C8H17NO4","InChI=1S/C8H17NO4/c1-2-11-3-4-12-5-6-13-7-8(9)10/h2-7H2,1H3,(H2,9,10)","NNBNUYZWLQIAQC-UHFFFAOYSA-N"
"1964","CCOCCC(N)=O","[R1]CCOCCC(=O)N[R2]","117.148","117.078978592","-0.71","8","0","2","1","4","52.32","C5H11NO2","InChI=1S/C5H11NO2/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H2,6,7)","WGVNJQHQQWPGJL-UHFFFAOYSA-N"
"1965","CCCCCCCCCCC(N)=O","[R1]CCCCCCCCCCC(=O)N[R2]","185.311","185.177964356","3.76","13","0","1","1","9","43.09","C11H23NO","InChI=1S/C11H23NO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H2,12,13)","FKVMWDZRDMCIAJ-UHFFFAOYSA-N"
"1966","CCN1CCN(CCC2CCNCC2)CC1","[R1]CCN1CCN(CC1)CCC2CCN(CC2)[R2]","225.38","225.220497864","1.11","16","2","3","1","4","18.51","C13H27N3","InChI=1S/C13H27N3/c1-2-15-9-11-16(12-10-15)8-5-13-3-6-14-7-4-13/h13-14H,2-12H2,1H3","SHCLAWBUTZRELZ-UHFFFAOYSA-N"
"1967","CN1CCN(CCC2CNC2)CC1","[R1]CN1CCN(CC1)CCC2CN(C2)[R2]","183.299","183.173547672","0.03","13","2","3","1","3","18.51","C10H21N3","InChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)3-2-10-8-11-9-10/h10-11H,2-9H2,1H3","BZCCKYUASUQBEL-UHFFFAOYSA-N"
"1968","O=CNCCOCCOCCOCCOCCNC(=O)CO","[R1]C(=O)NCCOCCOCCOCCOCCNC(=O)CO[R2]","322.358","322.174001172","-1.79","22","0","7","3","17","115.35","C13H26N2O7","InChI=1S/C13H26N2O7/c16-11-13(18)15-2-4-20-6-8-22-10-9-21-7-5-19-3-1-14-12-17/h12,16H,1-11H2,(H,14,17)(H,15,18)","NNSSQKHDZIYFPA-UHFFFAOYSA-N"
"1969","NCCOCCOCCOCCOCCNC(=O)CO","[R1]NCCOCCOCCOCCOCCNC(=O)CO[R2]","294.348","294.179086552","-2.64","20","0","7","3","15","112.27","C12H26N2O6","InChI=1S/C12H26N2O6/c13-1-3-17-5-7-19-9-10-20-8-6-18-4-2-14-12(16)11-15/h15H,1-11,13H2,(H,14,16)","GSSHBDFFXJGIDU-UHFFFAOYSA-N"
"1970","NCCOCC1=CN(CC=O)N=N1","[R1]NCCOCC1=CN(N=N1)CC(=O)[R2]","184.199","184.096025624","-1.93","13","1","6","1","6","83.03","C7H12N4O2","InChI=1S/C7H12N4O2/c8-1-4-13-6-7-5-11(2-3-12)10-9-7/h3,5H,1-2,4,6,8H2","WWHLYZRNFACUHW-UHFFFAOYSA-N"
"1971","NCCCOCC1=CN(CC=O)N=N1","[R1]NCCCOCC1=CN(N=N1)CC(=O)[R2]","198.226","198.111675688","-1.58","14","1","6","1","7","83.03","C8H14N4O2","InChI=1S/C8H14N4O2/c9-2-1-5-14-7-8-6-12(3-4-13)11-10-8/h4,6H,1-3,5,7,9H2","GQJYGCIBXJGENN-UHFFFAOYSA-N"
"1972","NCCCN1C=C(COCCOCCOCC2=CN(CC=O)N=N2)N=N1","[R1]NCCCN1C=C(N=N1)COCCOCCOCC2=CN(N=N2)CC(=O)[R2]","367.41","367.19680228","-2.64","26","2","11","1","15","132.2","C15H25N7O4","InChI=1S/C15H25N7O4/c16-2-1-3-21-10-14(17-19-21)12-25-8-6-24-7-9-26-13-15-11-22(4-5-23)20-18-15/h5,10-11H,1-4,6-9,12-13,16H2","QAHTZHITITWJFS-UHFFFAOYSA-N"
"1973","NCCCN1C=C(COCCOCCOCCOCC2=CN(CC=O)N=N2)N=N1","[R1]NCCCN1C=C(N=N1)COCCOCCOCCOCC2=CN(N=N2)CC(=O)[R2]","411.463","411.223017028","-2.79","29","2","12","1","18","141.43","C17H29N7O5","InChI=1S/C17H29N7O5/c18-2-1-3-23-12-16(19-21-23)14-28-10-8-26-6-7-27-9-11-29-15-17-13-24(4-5-25)22-20-17/h5,12-13H,1-4,6-11,14-15,18H2","DXRPRYARMDCNST-UHFFFAOYSA-N"
"1974","CC(=O)NCCCCCCCCCCC=O","[R1]CC(=O)NCCCCCCCCCCC(=O)[R2]","227.348","227.18852904","2.75","16","0","2","1","11","46.17","C13H25NO2","InChI=1S/C13H25NO2/c1-13(16)14-11-9-7-5-3-2-4-6-8-10-12-15/h12H,2-11H2,1H3,(H,14,16)","BVCUSMWLJJDLQZ-UHFFFAOYSA-N"
"1975","CC(=O)NCCCCCCCCC=O","[R1]CC(=O)NCCCCCCCCC(=O)[R2]","199.294","199.157228912","1.67","14","0","2","1","9","46.17","C11H21NO2","InChI=1S/C11H21NO2/c1-11(14)12-9-7-5-3-2-4-6-8-10-13/h10H,2-9H2,1H3,(H,12,14)","PCAYNDWCAWUECR-UHFFFAOYSA-N"
"1976","CCCNC(=O)C(C1=CC=C(C)C=C1)N1CCOCC1","[R1]CCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2","276.38","276.183778008","2.19","20","2","3","1","5","41.57","C16H24N2O2","InChI=1S/C16H24N2O2/c1-3-8-17-16(19)15(18-9-11-20-12-10-18)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,17,19)","CZOQRASDJJBSGG-UHFFFAOYSA-N"
"1977","CC1=CC=C(C(C(=O)NCCCCCCCCN)N2CCOCC2)C=C1","[R1]NCCCCCCCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2","361.53","361.27292736","2.87","26","2","4","2","11","67.59","C21H35N3O2","InChI=1S/C21H35N3O2/c1-18-8-10-19(11-9-18)20(24-14-16-26-17-15-24)21(25)23-13-7-5-3-2-4-6-12-22/h8-11,20H,2-7,12-17,22H2,1H3,(H,23,25)","GQMZEHJZTIHBQR-UHFFFAOYSA-N"
"1978","CC1=CC=C(C(C(=O)NCCOCCN)N2CCOCC2)C=C1","[R1]NCCOCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2","321.421","321.205241724","0.21","23","2","5","2","8","76.82","C17H27N3O3","InChI=1S/C17H27N3O3/c1-14-2-4-15(5-3-14)16(20-8-12-23-13-9-20)17(21)19-7-11-22-10-6-18/h2-5,16H,6-13,18H2,1H3,(H,19,21)","SCKPZWPRDYWJAT-UHFFFAOYSA-N"
"1979","CC1=CC=C(C(C(=O)NCCOCCOCCN)N2CCOCC2)C=C1","[R1]NCCOCCOCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2","365.474","365.231456472","0.06","26","2","6","2","11","86.05","C19H31N3O4","InChI=1S/C19H31N3O4/c1-16-2-4-17(5-3-16)18(22-8-12-26-13-9-22)19(23)21-7-11-25-15-14-24-10-6-20/h2-5,18H,6-15,20H2,1H3,(H,21,23)","QSZILOZQSYLDQP-UHFFFAOYSA-N"
"1980","CC1=CC=C(C(C(=O)NCCOCCOCCOCCN)N2CCOCC2)C=C1","[R1]NCCOCCOCCOCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2","409.527","409.25767122","-0.09","29","2","7","2","14","95.28","C21H35N3O5","InChI=1S/C21H35N3O5/c1-18-2-4-19(5-3-18)20(24-8-12-28-13-9-24)21(25)23-7-11-27-15-17-29-16-14-26-10-6-22/h2-5,20H,6-17,22H2,1H3,(H,23,25)","QGXIFRSYJLTHHV-UHFFFAOYSA-N"
"1981","CCCCC1=CN(CCCCCCCO)N=N1","[R1]CCCCC1=CN(N=N1)CCCCCCCO[R2]","239.363","239.19976242","2.64","17","1","4","1","10","50.94","C13H25N3O","InChI=1S/C13H25N3O/c1-2-3-9-13-12-16(15-14-13)10-7-5-4-6-8-11-17/h12,17H,2-11H2,1H3","BMPLYQYIDNRXTH-UHFFFAOYSA-N"
"1982","CCCCCCC(=O)N1CCC2(CCNC2=O)CC1","[R1]N1CCC2(C1=O)CCN(CC2)C(=O)CCCCCC[R2]","266.385","266.199428072","1.9","19","2","2","1","5","49.41","C15H26N2O2","InChI=1S/C15H26N2O2/c1-2-3-4-5-6-13(18)17-11-8-15(9-12-17)7-10-16-14(15)19/h2-12H2,1H3,(H,16,19)","VJWKBDGZXIMAEI-UHFFFAOYSA-N"
"1983","CCCCCC(=O)N1CCC2(CCNC2=O)CC1","[R1]N1CCC2(C1=O)CCN(CC2)C(=O)CCCCC[R2]","252.358","252.183778008","1.36","18","2","2","1","4","49.41","C14H24N2O2","InChI=1S/C14H24N2O2/c1-2-3-4-5-12(17)16-10-7-14(8-11-16)6-9-15-13(14)18/h2-11H2,1H3,(H,15,18)","DZJSGVOZCJJWGL-UHFFFAOYSA-N"
"1984","CCOCCC(=O)N1CCC2(CCNC2=O)CC1","[R1]N1CCC2(C1=O)CCN(CC2)C(=O)CCOCC[R2]","254.33","254.163042564","-0.4","18","2","3","1","4","58.64","C13H22N2O3","InChI=1S/C13H22N2O3/c1-2-18-10-3-11(16)15-8-5-13(6-9-15)4-7-14-12(13)17/h2-10H2,1H3,(H,14,17)","SASMWDHFJMGHJR-UHFFFAOYSA-N"
"1985","CCCOCC=O","[R1]C(=O)COCCC[R2]","102.133","102.06807956","0.5","7","0","2","0","4","26.3","C5H10O2","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h3H,2,4-5H2,1H3","YFPMKTSZVUDZDO-UHFFFAOYSA-N"
"1986","COCCCC=O","[R1]C(=O)CCCOC[R2]","102.133","102.06807956","-0.13","7","0","2","0","4","26.3","C5H10O2","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3","ZRMAOFSYSYAOHQ-UHFFFAOYSA-N"
"1987","O=CC1CCCCC1","[R1]C(=O)[C@H]1CC[C@@H](CC1)[R2]","112.172","112.088815004","1.81","8","1","1","0","1","17.07","C7H12O","InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2","KVFDZFBHBWTVID-UHFFFAOYSA-N"
"1988","CCN1CC(C=O)C1","[R1]C(=O)C1CN(C1)CC[R2]","113.16","113.084063972","-0.13","8","1","2","0","2","20.31","C6H11NO","InChI=1S/C6H11NO/c1-2-7-3-6(4-7)5-8/h5-6H,2-4H2,1H3","YJQQNNDSWWJUSN-UHFFFAOYSA-N"
"1989","CCN1CCC(C=O)CC1","[R1]C(=O)C1CCN(CC1)CC[R2]","141.214","141.1153641","0.59","10","1","2","0","2","20.31","C8H15NO","InChI=1S/C8H15NO/c1-2-9-5-3-8(7-10)4-6-9/h7-8H,2-6H2,1H3","CJWYRHTUDJMLSU-UHFFFAOYSA-N"
"1990","O=CNC1CCC1","[R1]C(=O)NC1CC(C1)[R2]","99.133","99.068413908","1.05","7","1","1","1","2","29.1","C5H9NO","InChI=1S/C5H9NO/c7-4-6-5-2-1-3-5/h4-5H,1-3H2,(H,6,7)","MFXUSQSDQJBLBN-UHFFFAOYSA-N"
"1991","CNC1CCC1","[R1]CNC1CC(C1)[R2]","85.15","85.089149352","0.71","6","1","1","1","1","12.03","C5H11N","InChI=1S/C5H11N/c1-6-5-3-2-4-5/h5-6H,2-4H2,1H3","JSIGUUUNVYUWQT-UHFFFAOYSA-N"
"1992","O=CN1CCCC1","[R1]C(=O)N1CCC(C1)[R2]","99.133","99.068413908","0.77","7","1","1","0","1","20.31","C5H9NO","InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2","AGRIQBHIKABLPJ-UHFFFAOYSA-N"
"1993","O=CN1CCCCC1","[R1]C(=O)N1CCC(CC1)[R2]","113.16","113.084063972","1.13","8","1","1","0","1","20.31","C6H11NO","InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2","FEWLNYSYJNLUOO-UHFFFAOYSA-N"
"1994","O=[SH](=O)N1CCCCC1","[R1]S(=O)(=O)N1CCC(CC1)[R2]","149.215","149.051049592","1.38","9","1","2","1","1","37.38","C5H11NO2S","InChI=1S/C5H11NO2S/c7-9(8)6-4-2-1-3-5-6/h9H,1-5H2","NSDFOXRWXWGJNN-UHFFFAOYSA-N"
"1995","CN1CCCCC1","[R1]CN1CCC(CC1)[R2]","99.177","99.104799416","1.11","7","1","1","0","0","3.24","C6H13N","InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3","PAMIQIKDUOTOBW-UHFFFAOYSA-N"
"1996","O=CN1CCC(F)CC1","[R1]C(=O)N1CCC(CC1)([R2])F","131.15","131.07464216","1.18","9","1","1","0","1","20.31","C6H10FNO","InChI=1S/C6H10FNO/c7-6-1-3-8(5-9)4-2-6/h5-6H,1-4H2","NQGAZZBLKBCTFQ-UHFFFAOYSA-N"
"1997","O=CN1CCCCC1","[R1]C(=O)N1CCCC(C1)[R2]","113.16","113.084063972","1.13","8","1","1","0","1","20.31","C6H11NO","InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2","FEWLNYSYJNLUOO-UHFFFAOYSA-N"
"1998","O=CNC1CCC1","[R1]CC(=O)N[C@H]1C[C@H](C1)C[R2]","99.133","99.068413908","1.05","7","1","1","1","2","29.1","C5H9NO","InChI=1S/C5H9NO/c7-4-6-5-2-1-3-5/h4-5H,1-3H2,(H,6,7)","MFXUSQSDQJBLBN-UHFFFAOYSA-N"
"1999","O=CNC1CCC1","[R1]C(=O)N[C@H]1C[C@@H](C1)[R2]","99.133","99.068413908","1.05","7","1","1","1","2","29.1","C5H9NO","InChI=1S/C5H9NO/c7-4-6-5-2-1-3-5/h4-5H,1-3H2,(H,6,7)","MFXUSQSDQJBLBN-UHFFFAOYSA-N"
"2000","CCCCOC","[R1]CCCCOC[R2]","88.15","88.088815004","1.33","6","0","1","0","3","9.23","C5H12O","InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","CXBDYQVECUFKRK-UHFFFAOYSA-N"
"2001","CCCCCCOC","[R1]CCCCCCOC[R2]","116.204","116.120115132","2.41","8","0","1","0","5","9.23","C7H16O","InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3","ICBJCVRQDSQPGI-UHFFFAOYSA-N"
"2002","CCCCOCC=O","[R1]CCCCOCC(=O)[R2]","116.16","116.083729624","0.86","8","0","2","0","5","26.3","C6H12O2","InChI=1S/C6H12O2/c1-2-3-5-8-6-4-7/h4H,2-3,5-6H2,1H3","RPLPGIHCAYAYKX-UHFFFAOYSA-N"
"2003","CCC(=O)NCC1=CC=C(C2=NNC=C3C4CC(CC4C(=O)NCCCC=O)C32)C=C1","[R1]C(=O)CCCNC(=O)C1CC2CC1C3=CNN=C(C23)C4=CC=C(C=C4)CNC(=O)CC[R2]","422.529","422.23179082","1.19","31","4","5","3","9","99.66","C24H30N4O3","InChI=1S/C24H30N4O3/c1-2-21(30)26-13-15-5-7-16(8-6-15)23-22-17-11-18(20(22)14-27-28-23)19(12-17)24(31)25-9-3-4-10-29/h5-8,10,14,17-19,22,27H,2-4,9,11-13H2,1H3,(H,25,31)(H,26,30)","DYYFBZUWEBJALT-UHFFFAOYSA-N"
"2004","CCC(=O)NCC1=CC=C(C2=NNC=C3C4CC(C(=O)NCCCC=O)C(C4)C32)C=C1","[R1]C(=O)CCCNC(=O)C1CC2CC1C3C2=CNN=C3C4=CC=C(C=C4)CNC(=O)CC[R2]","422.529","422.23179082","1.19","31","4","5","3","9","99.66","C24H30N4O3","InChI=1S/C24H30N4O3/c1-2-21(30)26-13-15-5-7-16(8-6-15)23-22-18-11-17(20(22)14-27-28-23)12-19(18)24(31)25-9-3-4-10-29/h5-8,10,14,17-19,22,27H,2-4,9,11-13H2,1H3,(H,25,31)(H,26,30)","BFMCJXCINAJTAD-UHFFFAOYSA-N"
"2005","CCCC(=O)N1CCNCC1","[R1]CCCC(=O)N1CCN(CC1)[R2]","156.229","156.126263132","-0.1","11","1","2","1","2","32.34","C8H16N2O","InChI=1S/C8H16N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h9H,2-7H2,1H3","OGQQJMSDOICEAR-UHFFFAOYSA-N"
"2006","CCOCCOCCC(=O)NCCOCCOC","[R1]CCOCCOCCC(=O)NCCOCCOC[R2]","263.334","263.1732729","-0.75","18","0","5","1","13","66.02","C12H25NO5","InChI=1S/C12H25NO5/c1-3-16-10-11-17-6-4-12(14)13-5-7-18-9-8-15-2/h3-11H2,1-2H3,(H,13,14)","XABSOEQIAQGGII-UHFFFAOYSA-N"
"2007","CCCCCCCCCCCC(=O)NCCCCC","[R1]CCCCCCCCCCCC(=O)NCCCCC[R2]","269.473","269.27186474","6.49","19","0","1","1","14","29.1","C17H35NO","InChI=1S/C17H35NO/c1-3-5-7-8-9-10-11-12-13-15-17(19)18-16-14-6-4-2/h3-16H2,1-2H3,(H,18,19)","YOWVGBBAXIJCDK-UHFFFAOYSA-N"
"2008","CCCCCNC(=O)CCCN1C=C(CC)N=N1","[R1]CCC1=CN(N=N1)CCCC(=O)NCCCCC[R2]","252.362","252.195011388","1.85","18","1","4","1","9","59.81","C13H24N4O","InChI=1S/C13H24N4O/c1-3-5-6-9-14-13(18)8-7-10-17-11-12(4-2)15-16-17/h11H,3-10H2,1-2H3,(H,14,18)","CQGVQAZZWCEPTD-UHFFFAOYSA-N"
"2009","CCN1CCN(C(C)=O)CC1","[R1]CC(=O)N1CCN(CC1)CC[R2]","156.229","156.126263132","-0.1","11","1","2","0","1","23.55","C8H16N2O","InChI=1S/C8H16N2O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3","VUHRYOBNDRCGBH-UHFFFAOYSA-N"
"2010","C#CCOCCOCCOCCN","[R1]NCCOCCOCCOCC#C[R2]","187.239","187.120843404","-1.04","13","0","4","1","9","53.71","C9H17NO3","InChI=1S/C9H17NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1H,3-10H2","MREICTHRFCQNJR-UHFFFAOYSA-N"
"2011","C#CCOCCOCCOCCOCCN","[R1]NCCOCCOCCOCCOCC#C[R2]","231.292","231.147058152","-1.19","16","0","5","1","12","62.94","C11H21NO4","InChI=1S/C11H21NO4/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1H,3-12H2","QDLPAHLHHBCWOW-UHFFFAOYSA-N"
"2012","O=C(CO)NCCC1CCNCC1","[R1]OCC(=O)NCCC1CCN(CC1)[R2]","186.255","186.136827816","-0.44","13","1","3","3","4","61.36","C9H18N2O2","InChI=1S/C9H18N2O2/c12-7-9(13)11-6-3-8-1-4-10-5-2-8/h8,10,12H,1-7H2,(H,11,13)","XGZZJXUJOWQVGW-UHFFFAOYSA-N"
"2013","CNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NC[R2]","199.298","199.168462292","-0.43","14","1","3","2","5","44.37","C10H21N3O","InChI=1S/C10H21N3O/c1-11-10(14)4-2-3-7-13-8-5-12-6-9-13/h12H,2-9H2,1H3,(H,11,14)","LHXMGEBYPOVESK-UHFFFAOYSA-N"
"2014","CCCCCNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NCCCCC[R2]","255.406","255.231062548","1.36","18","1","3","2","9","44.37","C14H29N3O","InChI=1S/C14H29N3O/c1-2-3-5-8-16-14(18)7-4-6-11-17-12-9-15-10-13-17/h15H,2-13H2,1H3,(H,16,18)","XOZRQKULSOGRDF-UHFFFAOYSA-N"
"2015","CCCCCCNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NCCCCCC[R2]","269.433","269.246712612","1.9","19","1","3","2","10","44.37","C15H31N3O","InChI=1S/C15H31N3O/c1-2-3-4-6-9-17-15(19)8-5-7-12-18-13-10-16-11-14-18/h16H,2-14H2,1H3,(H,17,19)","DASYLTVDLWJZEQ-UHFFFAOYSA-N"
"2016","CCCCCCCNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NCCCCCCC[R2]","283.46","283.262362676","2.45","20","1","3","2","11","44.37","C16H33N3O","InChI=1S/C16H33N3O/c1-2-3-4-5-7-10-18-16(20)9-6-8-13-19-14-11-17-12-15-19/h17H,2-15H2,1H3,(H,18,20)","VFXPVGBISDBEKT-UHFFFAOYSA-N"
"2017","CCCCCCCCNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NCCCCCCCC[R2]","297.487","297.27801274","2.99","21","1","3","2","12","44.37","C17H35N3O","InChI=1S/C17H35N3O/c1-2-3-4-5-6-8-11-19-17(21)10-7-9-14-20-15-12-18-13-16-20/h18H,2-16H2,1H3,(H,19,21)","GOACSYOXHMXHOK-UHFFFAOYSA-N"
"2018","CCCCCCCCCNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NCCCCCCCCC[R2]","311.514","311.293662804","3.53","22","1","3","2","13","44.37","C18H37N3O","InChI=1S/C18H37N3O/c1-2-3-4-5-6-7-9-12-20-18(22)11-8-10-15-21-16-13-19-14-17-21/h19H,2-17H2,1H3,(H,20,22)","KZJBZGGHNVWGPX-UHFFFAOYSA-N"
"2019","CCCCCCCCCCNC(=O)CCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC(=O)NCCCCCCCCCC[R2]","325.541","325.309312868","4.07","23","1","3","2","14","44.37","C19H39N3O","InChI=1S/C19H39N3O/c1-2-3-4-5-6-7-8-10-13-21-19(23)12-9-11-16-22-17-14-20-15-18-22/h20H,2-18H2,1H3,(H,21,23)","IQKAOKVZFFJQBP-UHFFFAOYSA-N"
"2020","C#CCCCCCN","[R1]NCCCCCC#C[R2]","111.188","111.104799416","1.12","8","0","1","1","4","26.02","C7H13N","InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h1H,3-8H2","CTJWRSXGDBETPH-UHFFFAOYSA-N"
"2021","C#CCCCCCCN","[R1]NCCCCCCC#C[R2]","125.215","125.12044948","1.66","9","0","1","1","5","26.02","C8H15N","InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h1H,3-9H2","REQFTYFGWVLWOQ-UHFFFAOYSA-N"
"2022","C#CC1CCNCC1","[R1]N1CCC(CC1)C#C[R2]","109.172","109.089149352","0.65","8","1","1","1","0","12.03","C7H11N","InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h1,7-8H,3-6H2","FWOORBMXLUBSEV-UHFFFAOYSA-N"
"2023","C#CCCC1CNC1","[R1]N1CC(C1)CCC#C[R2]","109.172","109.089149352","0.76","8","1","1","1","2","12.03","C7H11N","InChI=1S/C7H11N/c1-2-3-4-7-5-8-6-7/h1,7-8H,3-6H2","CJHVFGJFAJRSHN-UHFFFAOYSA-N"
"2024","C#CCC1CNC1","[R1]N1CC(C1)CC#C[R2]","95.145","95.073499288","0.4","7","1","1","1","1","12.03","C6H9N","InChI=1S/C6H9N/c1-2-3-6-4-7-5-6/h1,6-7H,3-5H2","JUGWORXESDWGEC-UHFFFAOYSA-N"
"2025","C#CCCCNC","[R1]N(C)CCCC#C[R2]","97.161","97.089149352","0.73","7","0","1","1","3","12.03","C6H11N","InChI=1S/C6H11N/c1-3-4-5-6-7-2/h1,7H,4-6H2,2H3","CDHPRJMTVOIFIZ-UHFFFAOYSA-N"
"2026","CC(=O)NCCOCCC=O","[R1]C(=O)CCOCCNC(=O)C[R2]","159.185","159.089543276","-1.17","11","0","3","1","6","55.4","C7H13NO3","InChI=1S/C7H13NO3/c1-7(10)8-3-6-11-5-2-4-9/h4H,2-3,5-6H2,1H3,(H,8,10)","APGOPPLHRDXWQM-UHFFFAOYSA-N"
"2027","CC=O","[R1]CC(=O)[R2]","44.053","44.026214748","-0.27","3","0","1","0","0","17.07","C2H4O","InChI=1S/C2H4O/c1-2-3/h2H,1H3","IKHGUXGNUITLKF-UHFFFAOYSA-N"
"2028","CCCCCCCCCCCC=O","[R1]CCCCCCCCCCCC(=O)[R2]","184.323","184.182715388","4.89","13","0","1","0","10","17.07","C12H24O","InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3","HFJRKMMYBMWEAD-UHFFFAOYSA-N"
"2029","CC(N)=O","[R1]CC(=O)N[R2]","59.068","59.03711378","-0.86","4","0","1","1","0","43.09","C2H5NO","InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","DLFVBJFMPXGRIB-UHFFFAOYSA-N"
"2030","CCCCCCCCCCCC(N)=O","[R1]CCCCCCCCCCCC(=O)N[R2]","199.338","199.19361442","4.3","14","0","1","1","10","43.09","C12H25NO","InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)","ILRSCQWREDREME-UHFFFAOYSA-N"
"2031","O=CC1CN(CCCCCCCO)C1","[R1]C(=O)C1CN(C1)CCCCCCCO[R2]","199.294","199.157228912","0.79","14","1","3","1","8","40.54","C11H21NO2","InChI=1S/C11H21NO2/c13-7-5-3-1-2-4-6-12-8-11(9-12)10-14/h10-11,13H,1-9H2","PKTLUVTUHFBFIG-UHFFFAOYSA-N"
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"2054","CCC(=O)NCCCC=O","[R1]C(=O)CCCNC(=O)CC[R2]","143.186","143.094628656","-0.2","10","0","2","1","5","46.17","C7H13NO2","InChI=1S/C7H13NO2/c1-2-7(10)8-5-3-4-6-9/h6H,2-5H2,1H3,(H,8,10)","XVHHPOUFOALLIJ-UHFFFAOYSA-N"
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"2059","CCC(=O)NCCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCNC(=O)CC[R2]","241.375","241.204179104","3.22","17","0","2","1","12","46.17","C14H27NO2","InChI=1S/C14H27NO2/c1-2-14(17)15-12-10-8-6-4-3-5-7-9-11-13-16/h13H,2-12H2,1H3,(H,15,17)","IISFBNGXOHTZRV-UHFFFAOYSA-N"
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"2069","CCNC(=O)CN(CCS)C(=O)CCCCCCCCCCC=O","[R1]C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)NCC[R2]","358.548","358.229013948","3.06","24","0","4","2","16","66.48","C18H34N2O3S","InChI=1S/C18H34N2O3S/c1-2-19-17(22)16-20(13-15-24)18(23)12-10-8-6-4-3-5-7-9-11-14-21/h14,24H,2-13,15-16H2,1H3,(H,19,22)","NHESQSBNORYMRF-UHFFFAOYSA-N"
"2070","NCCCC=O","[R1]NCCCC(=O)[R2]","87.122","87.068413908","-0.92","6","0","2","1","3","43.09","C4H9NO","InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2","DZQLQEYLEYWJIB-UHFFFAOYSA-N"
"2071","NCCCCC=O","[R1]NCCCCC(=O)[R2]","101.149","101.084063972","-0.57","7","0","2","1","4","43.09","C5H11NO","InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2","SZBGXBOFCGNPEU-UHFFFAOYSA-N"
"2072","NCCCCCCC=O","[R1]NCCCCCCC(=O)[R2]","129.203","129.1153641","0.33","9","0","2","1","6","43.09","C7H15NO","InChI=1S/C7H15NO/c8-6-4-2-1-3-5-7-9/h7H,1-6,8H2","UGLZOVSJRNQLCS-UHFFFAOYSA-N"
"2073","COCCN","[R1]NCCOC[R2]","75.111","75.068413908","-0.86","5","0","2","1","2","35.25","C3H9NO","InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3","ASUDFOJKTJLAIK-UHFFFAOYSA-N"
"2074","COCCOCCOCCOCCN1C=C(CN)N=N1","[R1]NCC1=CN(N=N1)CCOCCOCCOCCOC[R2]","288.348","288.179755248","-2.07","20","1","8","1","13","93.65","C12H24N4O4","InChI=1S/C12H24N4O4/c1-17-4-5-19-8-9-20-7-6-18-3-2-16-11-12(10-13)14-15-16/h11H,2-10,13H2,1H3","MLDVXBSDNVTZFQ-UHFFFAOYSA-N"
"2075","CNC(=O)C(N)CCCCCNC(=O)CO","[R1]NC(CCCCCNC(=O)CO[R2])C(=O)NC","231.296","231.158291532","-1.24","16","0","4","4","8","104.45","C10H21N3O3","InChI=1S/C10H21N3O3/c1-12-10(16)8(11)5-3-2-4-6-13-9(15)7-14/h8,14H,2-7,11H2,1H3,(H,12,16)(H,13,15)","RUUHMTOIRNQACJ-UHFFFAOYSA-N"
"2076","CNC(=O)[C@@H](CN)NC(=O)CO","[R1]NC[C@H](C(=O)NC)NC(=O)CO[R2]","175.188","175.095691276","-2.67","12","0","4","4","4","104.45","C6H13N3O3","InChI=1S/C6H13N3O3/c1-8-6(12)4(2-7)9-5(11)3-10/h4,10H,2-3,7H2,1H3,(H,8,12)(H,9,11)/t4-/m1/s1","OESKKZJTOHNYDR-SCSAIBSYSA-N"
"2077","CNC(=O)[C@@H](CC1=CC=C(CN)C=C1)NC(=O)CO","[R1]NCC1=CC=C(C=C1)C[C@H](C(=O)NC)NC(=O)CO[R2]","265.313","265.142641468","-0.92","19","1","4","4","6","104.45","C13H19N3O3","InChI=1S/C13H19N3O3/c1-15-13(19)11(16-12(18)8-17)6-9-2-4-10(7-14)5-3-9/h2-5,11,17H,6-8,14H2,1H3,(H,15,19)(H,16,18)/t11-/m1/s1","DNEKBBFDRVBOAR-LLVKDONJSA-N"
"2078","CNC(=O)CNCCCCNC(=O)CO","[R1]N(CCCCNC(=O)CO[R2])CC(=O)NC","217.269","217.142641468","-1.48","15","0","4","4","8","90.46","C9H19N3O3","InChI=1S/C9H19N3O3/c1-10-8(14)6-11-4-2-3-5-12-9(15)7-13/h11,13H,2-7H2,1H3,(H,10,14)(H,12,15)","PFLPPBVXINXNIX-UHFFFAOYSA-N"
"2079","CCCCCCCCCNC(=O)CO","[R1]CCCCCCCCCNC(=O)CO[R2]","201.31","201.172878976","2.85","14","0","2","2","9","49.33","C11H23NO2","InChI=1S/C11H23NO2/c1-2-3-4-5-6-7-8-9-12-11(14)10-13/h13H,2-10H2,1H3,(H,12,14)","LZQITYYAZVMUJA-UHFFFAOYSA-N"
"2080","O=CNCCCCCNC(=O)C1=CC=CC=C1","[R1]C1=CC=C(C=C1)C(=O)NCCCCCNC(=O)[R2]","234.299","234.136827816","2.19","17","1","2","2","8","58.2","C13H18N2O2","InChI=1S/C13H18N2O2/c16-11-14-9-5-2-6-10-15-13(17)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,14,16)(H,15,17)","BTFQUGAEGFIQGB-UHFFFAOYSA-N"
"2081","NCCCCC(=O)NCC1=CC=C(CN)C=C1","[R1]NCCCCC(=O)NCC1=CC=C(C=C1)CN[R2]","235.331","235.168462292","-0.4","17","1","3","3","7","81.14","C13H21N3O","InChI=1S/C13H21N3O/c14-8-2-1-3-13(17)16-10-12-6-4-11(9-15)5-7-12/h4-7H,1-3,8-10,14-15H2,(H,16,17)","HAPHSJOCWOSDTB-UHFFFAOYSA-N"
"2082","NCCCCC(=O)NCCN","[R1]NCCCCC(=O)NCCN[R2]","159.233","159.137162164","-1.69","11","0","3","3","6","81.14","C7H17N3O","InChI=1S/C7H17N3O/c8-4-2-1-3-7(11)10-6-5-9/h1-6,8-9H2,(H,10,11)","MJADOUXUNZIOSR-UHFFFAOYSA-N"
"2083","NCCCCC(=O)NCCO","[R1]NCCCCC(=O)NCCO[R2]","160.217","160.121177752","-1.44","11","0","3","3","6","75.35","C7H16N2O2","InChI=1S/C7H16N2O2/c8-4-2-1-3-7(11)9-5-6-10/h10H,1-6,8H2,(H,9,11)","HPTUIAOLEWYPKS-UHFFFAOYSA-N"
"2084","NCCCCNC(=O)C1=CC=C(N)C=C1","[R1]NCCCCNC(=O)C1=CC=C(C=C1)N[R2]","207.277","207.137162164","0.29","15","1","3","3","5","81.14","C11H17N3O","InChI=1S/C11H17N3O/c12-7-1-2-8-14-11(15)9-3-5-10(13)6-4-9/h3-6H,1-2,7-8,12-13H2,(H,14,15)","BBSGTJMXSSLBBP-UHFFFAOYSA-N"
"2085","NCCCNC(=O)C1=CC=C(CO)C=C1","[R1]NCCCNC(=O)C1=CC=C(C=C1)CO[R2]","208.261","208.121177752","-0.27","15","1","3","3","5","75.35","C11H16N2O2","InChI=1S/C11H16N2O2/c12-6-1-7-13-11(15)10-4-2-9(8-14)3-5-10/h2-5,14H,1,6-8,12H2,(H,13,15)","RNWMTGIVZVMMBV-UHFFFAOYSA-N"
"2086","NCCCCNC(=O)C1=CC=C(CO)C=C1","[R1]NCCCCNC(=O)C1=CC=C(C=C1)CO[R2]","222.288","222.136827816","0.09","16","1","3","3","6","75.35","C12H18N2O2","InChI=1S/C12H18N2O2/c13-7-1-2-8-14-12(16)11-5-3-10(9-15)4-6-11/h3-6,15H,1-2,7-9,13H2,(H,14,16)","XMCXJWHMJOICDM-UHFFFAOYSA-N"
"2087","NCCCCCNC(=O)C1=CC=C(CO)C=C1","[R1]NCCCCCNC(=O)C1=CC=C(C=C1)CO[R2]","236.315","236.15247788","0.44","17","1","3","3","7","75.35","C13H20N2O2","InChI=1S/C13H20N2O2/c14-8-2-1-3-9-15-13(17)12-6-4-11(10-16)5-7-12/h4-7,16H,1-3,8-10,14H2,(H,15,17)","RLUBZNDHBGYOOR-UHFFFAOYSA-N"
"2088","NCCNC(=O)C1=CC=C(CO)C=C1","[R1]NCCNC(=O)C1=CC=C(C=C1)CO[R2]","194.234","194.105527688","-0.63","14","1","3","3","4","75.35","C10H14N2O2","InChI=1S/C10H14N2O2/c11-5-6-12-10(14)9-3-1-8(7-13)2-4-9/h1-4,13H,5-7,11H2,(H,12,14)","AQPOHSLOBQPTME-UHFFFAOYSA-N"
"2089","CCC1=CN(CCOC)N=N1","[R1]CCC1=CN(N=N1)CCOC[R2]","155.201","155.105862036","0.31","11","1","4","0","4","39.94","C7H13N3O","InChI=1S/C7H13N3O/c1-3-7-6-10(9-8-7)4-5-11-2/h6H,3-5H2,1-2H3","GONLUSVGEWCPMZ-UHFFFAOYSA-N"
"2090","CCC1=CN(CCOCCOC)N=N1","[R1]CCC1=CN(N=N1)CCOCCOC[R2]","199.254","199.132076784","0.16","14","1","5","0","7","49.17","C9H17N3O2","InChI=1S/C9H17N3O2/c1-3-9-8-12(11-10-9)4-5-14-7-6-13-2/h8H,3-7H2,1-2H3","ASQBFHDTNMWTBO-UHFFFAOYSA-N"
"2091","CCC1=CN(CCOCCOCCOC)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOC[R2]","243.307","243.158291532","0.01","17","1","6","0","10","58.4","C11H21N3O3","InChI=1S/C11H21N3O3/c1-3-11-10-14(13-12-11)4-5-16-8-9-17-7-6-15-2/h10H,3-9H2,1-2H3","HSLPMJUTOBAFIV-UHFFFAOYSA-N"
"2092","CCC1=CN(CCOCCOCCOCCOC)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOCCOC[R2]","287.36","287.18450628","-0.13","20","1","7","0","13","67.63","C13H25N3O4","InChI=1S/C13H25N3O4/c1-3-13-12-16(15-14-13)4-5-18-8-9-20-11-10-19-7-6-17-2/h12H,3-11H2,1-2H3","ARHMKVYBYIVQSC-UHFFFAOYSA-N"
"2093","CCC1=CN(CCOCCOCCOCCOCCOC)N=N1","[R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOC[R2]","331.413","331.210721028","-0.28","23","1","8","0","16","76.86","C15H29N3O5","InChI=1S/C15H29N3O5/c1-3-15-14-18(17-16-15)4-5-20-8-9-22-12-13-23-11-10-21-7-6-19-2/h14H,3-13H2,1-2H3","JRIAOTHANWJMFS-UHFFFAOYSA-N"
"2094","CCCCC(=O)NCCOCCOCCNC(=O)CC","[R1]CCCCC(=O)NCCOCCOCCNC(=O)CC[R2]","288.388","288.204907376","0.4","20","0","4","2","13","76.66","C14H28N2O4","InChI=1S/C14H28N2O4/c1-3-5-6-14(18)16-8-10-20-12-11-19-9-7-15-13(17)4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)","WABXZKIJKYZWMR-UHFFFAOYSA-N"
"2095","CCCCC(=O)NCCOCCOCCNC(=O)CCC(N)=O","[R1]CCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)N[R2]","331.413","331.210721028","-1.29","23","0","5","3","15","119.75","C15H29N3O5","InChI=1S/C15H29N3O5/c1-2-3-4-14(20)17-7-9-22-11-12-23-10-8-18-15(21)6-5-13(16)19/h2-12H2,1H3,(H2,16,19)(H,17,20)(H,18,21)","QDBFKFYGVXQNJL-UHFFFAOYSA-N"
"2096","CCCCC(=O)NCCCCCC(N)=O","[R1]CCCCC(=O)NCCCCCC(=O)N[R2]","214.309","214.168127944","0.83","15","0","2","2","9","72.19","C11H22N2O2","InChI=1S/C11H22N2O2/c1-2-3-8-11(15)13-9-6-4-5-7-10(12)14/h2-9H2,1H3,(H2,12,14)(H,13,15)","JPEONIAOJWHVKX-UHFFFAOYSA-N"
"2097","CC1=CN(CCC(=O)NCCCCCC(N)=O)N=N1","[R1]CC1=CN(N=N1)CCC(=O)NCCCCCC(=O)N[R2]","267.333","267.169524912","-0.81","19","1","5","2","9","102.9","C12H21N5O2","InChI=1S/C12H21N5O2/c1-10-9-17(16-15-10)8-6-12(19)14-7-4-2-3-5-11(13)18/h9H,2-8H2,1H3,(H2,13,18)(H,14,19)","NINMHIMKRHXZOX-UHFFFAOYSA-N"
"2098","CCCC1=CN(CCC(=O)NCCCCCC(N)=O)N=N1","[R1]CCCC1=CN(N=N1)CCC(=O)NCCCCCC(=O)N[R2]","295.387","295.20082504","-0.02","21","1","5","2","11","102.9","C14H25N5O2","InChI=1S/C14H25N5O2/c1-2-6-12-11-19(18-17-12)10-8-14(21)16-9-5-3-4-7-13(15)20/h11H,2-10H2,1H3,(H2,15,20)(H,16,21)","UBRZYHYFCKSPEW-UHFFFAOYSA-N"
"2099","CCCCC1=CN(CCC(=O)NCCCCCC(N)=O)N=N1","[R1]CCCCC1=CN(N=N1)CCC(=O)NCCCCCC(=O)N[R2]","309.414","309.216475104","0.52","22","1","5","2","12","102.9","C15H27N5O2","InChI=1S/C15H27N5O2/c1-2-3-7-13-12-20(19-18-13)11-9-15(22)17-10-6-4-5-8-14(16)21/h12H,2-11H2,1H3,(H2,16,21)(H,17,22)","PRHQUIAOQZZTSR-UHFFFAOYSA-N"
"2100","CCCCCCCCCC1=CN(CCC(=O)NCCCCCC(N)=O)N=N1","[R1]CCCCCCCCCC1=CN(N=N1)CCC(=O)NCCCCCC(=O)N[R2]","379.549","379.294725424","3.23","27","1","5","2","17","102.9","C20H37N5O2","InChI=1S/C20H37N5O2/c1-2-3-4-5-6-7-9-12-18-17-25(24-23-18)16-14-20(27)22-15-11-8-10-13-19(21)26/h17H,2-16H2,1H3,(H2,21,26)(H,22,27)","ASOAZWHDZMBXPJ-UHFFFAOYSA-N"
"2101","CC(=O)NCCCCCCCO","[R1]CC(=O)NCCCCCCCO[R2]","173.256","173.141578848","0.83","12","0","2","2","7","49.33","C9H19NO2","InChI=1S/C9H19NO2/c1-9(12)10-7-5-3-2-4-6-8-11/h11H,2-8H2,1H3,(H,10,12)","PQEXLWAOJGPMOF-UHFFFAOYSA-N"
"2102","CC(=O)N1CCC(CN2CCNCC2)CC1","[R1]CC(=O)N1CCC(CC1)CN2CCN(CC2)[R2]","225.336","225.184112356","-0.15","16","2","3","1","2","35.58","C12H23N3O","InChI=1S/C12H23N3O/c1-11(16)15-6-2-12(3-7-15)10-14-8-4-13-5-9-14/h12-13H,2-10H2,1H3","OXPCYBKLNZDFTK-UHFFFAOYSA-N"
"2103","CCCCCN1C=C(CO)N=N1","[R1]OCC1=CN(N=N1)CCCCC[R2]","169.228","169.1215121","0.57","12","1","4","1","5","50.94","C8H15N3O","InChI=1S/C8H15N3O/c1-2-3-4-5-11-6-8(7-12)9-10-11/h6,12H,2-5,7H2,1H3","DYGYDLGRPUBYQE-UHFFFAOYSA-N"
"2104","CCCCCCCCCN1C=C(CO)N=N1","[R1]OCC1=CN(N=N1)CCCCCCCCC[R2]","225.336","225.184112356","2.73","16","1","4","1","9","50.94","C12H23N3O","InChI=1S/C12H23N3O/c1-2-3-4-5-6-7-8-9-15-10-12(11-16)13-14-15/h10,16H,2-9,11H2,1H3","YDDSFTMOOWQCNI-UHFFFAOYSA-N"
"2105","CCCCCCCCCCCN1C=C(CO)N=N1","[R1]OCC1=CN(N=N1)CCCCCCCCCCC[R2]","253.39","253.215412484","3.81","18","1","4","1","11","50.94","C14H27N3O","InChI=1S/C14H27N3O/c1-2-3-4-5-6-7-8-9-10-11-17-12-14(13-18)15-16-17/h12,18H,2-11,13H2,1H3","ZEDHISZMZUCHOR-UHFFFAOYSA-N"
"2106","CCCCCCCCCN1C=C(CCCO)N=N1","[R1]OCCCC1=CN(N=N1)CCCCCCCCC[R2]","253.39","253.215412484","3.55","18","1","4","1","11","50.94","C14H27N3O","InChI=1S/C14H27N3O/c1-2-3-4-5-6-7-8-11-17-13-14(15-16-17)10-9-12-18/h13,18H,2-12H2,1H3","UBZGDQFQWMWHHQ-UHFFFAOYSA-N"
"2107","COCCOCCOCCN1C=C(CO)N=N1","[R1]OCC1=CN(N=N1)CCOCCOCCOC[R2]","245.279","245.137556088","-1.67","17","1","7","1","10","78.63","C10H19N3O4","InChI=1S/C10H19N3O4/c1-15-4-5-17-7-6-16-3-2-13-8-10(9-14)11-12-13/h8,14H,2-7,9H2,1H3","FZBUMZKYCTUDFB-UHFFFAOYSA-N"
"2108","CCOCCOCCOCCOCCC(=O)N1CCC(C)CC1","[R1]CC1CCN(CC1)C(=O)CCOCCOCCOCCOCC[R2]","331.453","331.235873156","0.72","23","1","5","0","13","57.23","C17H33NO5","InChI=1S/C17H33NO5/c1-3-20-10-11-22-14-15-23-13-12-21-9-6-17(19)18-7-4-16(2)5-8-18/h16H,3-15H2,1-2H3","VEZRCBWMTWPMLM-UHFFFAOYSA-N"
"2109","CCOCCOCCC(=O)N1CCC(C)CC1","[R1]CC1CCN(CC1)C(=O)CCOCCOCC[R2]","243.347","243.18344366","1.01","17","1","3","0","7","38.77","C13H25NO3","InChI=1S/C13H25NO3/c1-3-16-10-11-17-9-6-13(15)14-7-4-12(2)5-8-14/h12H,3-11H2,1-2H3","WIXMDBQPAKJLNK-UHFFFAOYSA-N"
"2110","CCOCCC(=O)N1CCC(C)CC1","[R1]CC1CCN(CC1)C(=O)CCOCC[R2]","199.294","199.157228912","1.16","14","1","2","0","4","29.54","C11H21NO2","InChI=1S/C11H21NO2/c1-3-14-9-6-11(13)12-7-4-10(2)5-8-12/h10H,3-9H2,1-2H3","GHHXIYYKDMDMIS-UHFFFAOYSA-N"
"2111","CCC(=O)N1CCC(C)CC1","[R1]CC1CCN(CC1)C(=O)CC[R2]","155.241","155.131014164","1.48","11","1","1","0","1","20.31","C9H17NO","InChI=1S/C9H17NO/c1-3-9(11)10-6-4-8(2)5-7-10/h8H,3-7H2,1-2H3","JOLSRNOUXISBRG-UHFFFAOYSA-N"
"2112","CCOCCOCCOCCOCCOCCC(=O)N1CCC(C)CC1","[R1]CC1CCN(CC1)C(=O)CCOCCOCCOCCOCCOCC[R2]","375.506","375.262087904","0.57","26","1","6","0","16","66.46","C19H37NO6","InChI=1S/C19H37NO6/c1-3-22-10-11-24-14-15-26-17-16-25-13-12-23-9-6-19(21)20-7-4-18(2)5-8-20/h18H,3-17H2,1-2H3","AYMRLFZCSVZRQD-UHFFFAOYSA-N"
"2113","CC1CCN(C(=O)COCCOCCOCCO)CC1","[R1]CC1CCN(CC1)C(=O)COCCOCCOCCO[R2]","289.372","289.188922964","-0.09","20","1","5","1","10","68.23","C14H27NO5","InChI=1S/C14H27NO5/c1-13-2-4-15(5-3-13)14(17)12-20-11-10-19-9-8-18-7-6-16/h13,16H,2-12H2,1H3","ZCPORGJEVGPZBU-UHFFFAOYSA-N"
"2114","O=CCOCCOCCNC(=O)C1=NC(C2=NC3=CC=C(O)C=C3S2)SC1","[R1]OC1=CC2=C(C=C1)N=C(S2)C3N=C(CS3)C(=O)NCCOCCOCC(=O)[R2]","409.489","409.076612708","0.95","27","3","9","2","10","110.11","C17H19N3O5S2","InChI=1S/C17H19N3O5S2/c21-4-6-25-8-7-24-5-3-18-15(23)13-10-26-16(20-13)17-19-12-2-1-11(22)9-14(12)27-17/h1-2,4,9,16,22H,3,5-8,10H2,(H,18,23)","GOLACHITOKIFBU-UHFFFAOYSA-N"
"2115","CCCN1C=C(C)N=N1","[R1]CCCN1C=C(N=N1)C[R2]","125.175","125.095297352","0.92","9","1","3","0","2","30.71","C6H11N3","InChI=1S/C6H11N3/c1-3-4-9-5-6(2)7-8-9/h5H,3-4H2,1-2H3","ZXLSJRXUAOMZTI-UHFFFAOYSA-N"
"2116","CCCCN1C=C(C)N=N1","[R1]CCCCN1C=C(N=N1)C[R2]","139.202","139.110947416","1.27","10","1","3","0","3","30.71","C7H13N3","InChI=1S/C7H13N3/c1-3-4-5-10-6-7(2)8-9-10/h6H,3-5H2,1-2H3","MYLJNRLZLNTTMH-UHFFFAOYSA-N"
"2117","CCCCCN1C=C(C)N=N1","[R1]CCCCCN1C=C(N=N1)C[R2]","153.229","153.12659748","1.82","11","1","3","0","4","30.71","C8H15N3","InChI=1S/C8H15N3/c1-3-4-5-6-11-7-8(2)9-10-11/h7H,3-6H2,1-2H3","NGPORLBABXGWLK-UHFFFAOYSA-N"
"2118","CCCCCCN1C=C(C)N=N1","[R1]CCCCCCN1C=C(N=N1)C[R2]","167.256","167.142247544","2.36","12","1","3","0","5","30.71","C9H17N3","InChI=1S/C9H17N3/c1-3-4-5-6-7-12-8-9(2)10-11-12/h8H,3-7H2,1-2H3","WQWGJNYVTILRSK-UHFFFAOYSA-N"
"2119","CCOCCOCCOCCOCCN1C=C(C)N=N1","[R1]CCOCCOCCOCCOCCN1C=C(N=N1)C[R2]","287.36","287.18450628","-0.2","20","1","7","0","13","67.63","C13H25N3O4","InChI=1S/C13H25N3O4/c1-3-17-6-7-19-10-11-20-9-8-18-5-4-16-12-13(2)14-15-16/h12H,3-11H2,1-2H3","YHUVOJYLWJUSCL-UHFFFAOYSA-N"
"2120","CCCCCN1C=C(CC)N=N1","[R1]CCCCCN1C=C(N=N1)CC[R2]","167.256","167.142247544","2.25","12","1","3","0","5","30.71","C9H17N3","InChI=1S/C9H17N3/c1-3-5-6-7-12-8-9(4-2)10-11-12/h8H,3-7H2,1-2H3","WECBLIGQUNMREJ-UHFFFAOYSA-N"
"2121","CCOCCN1C=C(CC)N=N1","[R1]CCOCCN1C=C(N=N1)CC[R2]","169.228","169.1215121","0.67","12","1","4","0","5","39.94","C8H15N3O","InChI=1S/C8H15N3O/c1-3-8-7-11(10-9-8)5-6-12-4-2/h7H,3-6H2,1-2H3","VFQMDZJJZGHWFV-UHFFFAOYSA-N"
"2122","NCC1CN(C(=O)CCC=O)C1","[R1]C(=O)CCC(=O)N1CC(C1)CN[R2]","170.212","170.105527688","-1.82","12","1","3","1","4","63.4","C8H14N2O2","InChI=1S/C8H14N2O2/c9-4-7-5-10(6-7)8(12)2-1-3-11/h3,7H,1-2,4-6,9H2","ZNLHFSMJQDVFHS-UHFFFAOYSA-N"
"2123","CC1CN(C(=O)CC=O)C1","[R1]C(=O)CC(=O)N1CC(C1)C[R2]","141.17","141.078978592","-0.08","10","1","2","0","2","37.38","C7H11NO2","InChI=1S/C7H11NO2/c1-6-4-8(5-6)7(10)2-3-9/h3,6H,2,4-5H2,1H3","XARQSTZMZIDONQ-UHFFFAOYSA-N"
"2124","CC1CN(CC2CN(C(=O)CCC=O)C2)C1","[R1]C(=O)CCC(=O)N1CC(C1)CN2CC(C2)C[R2]","224.304","224.15247788","-0.27","16","2","3","0","5","40.62","C12H20N2O2","InChI=1S/C12H20N2O2/c1-10-5-13(6-10)7-11-8-14(9-11)12(16)3-2-4-15/h4,10-11H,2-3,5-9H2,1H3","YDIYSBOPVAKAKN-UHFFFAOYSA-N"
"2125","CC1CCN(C(=O)CCC=O)C1","[R1]C(=O)CCC(=O)N1CCC(C1)C[R2]","169.224","169.11027872","0.02","12","1","2","0","3","37.38","C9H15NO2","InChI=1S/C9H15NO2/c1-8-4-5-10(7-8)9(12)3-2-6-11/h6,8H,2-5,7H2,1H3","KSVZOTMWDZNGLT-UHFFFAOYSA-N"
"2126","CC1CCN(C(=O)CCC=O)CC1","[R1]C(=O)CCC(=O)N1CCC(CC1)C[R2]","183.251","183.125928784","0.37","13","1","2","0","3","37.38","C10H17NO2","InChI=1S/C10H17NO2/c1-9-4-6-11(7-5-9)10(13)3-2-8-12/h8-9H,2-7H2,1H3","AIGLTQBFLKOTJA-UHFFFAOYSA-N"
"2127","CCOCCOCCN1C=C(COCCC=O)N=N1","[R1]CCOCCOCCN1C=C(N=N1)COCCC(=O)[R2]","271.317","271.153206152","-1.19","19","1","7","0","12","75.47","C12H21N3O4","InChI=1S/C12H21N3O4/c1-2-17-8-9-18-7-4-15-10-12(13-14-15)11-19-6-3-5-16/h5,10H,2-4,6-9,11H2,1H3","XIJODWJVANKBFL-UHFFFAOYSA-N"
"2128","CCOCCOCC1=CN(CCOCCOC)N=N1","[R1]COCCOCCN1C=C(N=N1)COCCOCC[R2]","273.333","273.168856216","-0.77","19","1","7","0","12","67.63","C12H23N3O4","InChI=1S/C12H23N3O4/c1-3-17-8-9-19-11-12-10-15(14-13-12)4-5-18-7-6-16-2/h10H,3-9,11H2,1-2H3","ZKFQQELXNBSHBK-UHFFFAOYSA-N"
"2129","CCOCCOCNC(=O)CCCO","[R1]CCOCCOCNC(=O)CCCO[R2]","205.254","205.131408088","-0.68","14","0","4","2","9","67.79","C9H19NO4","InChI=1S/C9H19NO4/c1-2-13-6-7-14-8-10-9(12)4-3-5-11/h11H,2-8H2,1H3,(H,10,12)","RFAQMVAUIFJVLR-UHFFFAOYSA-N"
"2130","NC(=O)COCCNC(=O)CO","[R1]NC(=O)COCCNC(=O)CO[R2]","176.172","176.079706864","-2.32","12","0","4","3","6","101.65","C6H12N2O4","InChI=1S/C6H12N2O4/c7-5(10)4-12-2-1-8-6(11)3-9/h9H,1-4H2,(H2,7,10)(H,8,11)","BLFDRXVTVIOHRH-UHFFFAOYSA-N"
"2131","NC(=O)CCOCCOCCOCCNC(=O)CO","[R1]NC(=O)CCOCCOCCOCCNC(=O)CO[R2]","278.305","278.147786424","-2.71","19","0","6","3","13","120.11","C11H22N2O6","InChI=1S/C11H22N2O6/c12-10(15)1-3-17-5-7-19-8-6-18-4-2-13-11(16)9-14/h14H,1-9H2,(H2,12,15)(H,13,16)","PEQHLZXVCGFIHX-UHFFFAOYSA-N"
"2132","NC(=O)CCOCCOCCOCCOCCNC(=O)CO","[R1]NC(=O)CCOCCOCCOCCOCCNC(=O)CO[R2]","322.358","322.174001172","-2.86","22","0","7","3","16","129.34","C13H26N2O7","InChI=1S/C13H26N2O7/c14-12(17)1-3-19-5-7-21-9-10-22-8-6-20-4-2-15-13(18)11-16/h16H,1-11H2,(H2,14,17)(H,15,18)","JNUKOEDWODQUIQ-UHFFFAOYSA-N"
"2133","CC(=O)NCCOCCOCCOCCOCCC(N)=O","[R1]NC(=O)CCOCCOCCOCCOCCNC(=O)C[R2]","306.359","306.179086552","-2.2","21","0","6","2","15","109.11","C13H26N2O6","InChI=1S/C13H26N2O6/c1-12(16)15-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(14)17/h2-11H2,1H3,(H2,14,17)(H,15,16)","GFALIXVEFMCPKK-UHFFFAOYSA-N"
"2134","NC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)C1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C21)NC(=O)COCCOCCNC(=O)CO","[R1]NC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)NC(=O)COCCOCCNC(=O)CO[R2]","851.863","851.322515868","-0.49","61","5","15","8","25","292.63","C41H49N5O15","InChI=1S/C41H49N5O15/c42-35(50)23-58-17-15-57-14-12-45-39(54)32(46-37(52)24-59-18-16-56-13-11-43-36(51)22-47)3-1-2-10-44-38(53)25-4-7-29-28(19-25)40(55)61-41(29)30-8-5-26(48)20-33(30)60-34-21-27(49)6-9-31(34)41/h4-9,19-21,32,47-49H,1-3,10-18,22-24H2,(H2,42,50)(H,43,51)(H,44,53)(H,45,54)(H,46,52)/t32-/m0/s1","DFLFGVZPKYATOH-YTTGMZPUSA-N"
"2135","CCCCC(=O)NCCOCCOCC","[R1]CCCCC(=O)NCCOCCOCC[R2]","217.309","217.167793596","0.98","15","0","3","1","10","47.56","C11H23NO3","InChI=1S/C11H23NO3/c1-3-5-6-11(13)12-7-8-15-10-9-14-4-2/h3-10H2,1-2H3,(H,12,13)","TWSPGSNQCWJPEZ-UHFFFAOYSA-N"
"2136","NC=O","[R1]C(=O)N[R2]","45.041","45.021463716","-0.52","3","0","1","1","0","43.09","CH3NO","InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)","ZHNUHDYFZUAESO-UHFFFAOYSA-N"
"2137","CCC(=O)N1CCC(O)CC1","[R1]C1(CCN(CC1)C(=O)CC[R2])O","157.213","157.11027872","0.06","11","1","2","1","1","40.54","C8H15NO2","InChI=1S/C8H15NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3","RIIRBWCELNIZOI-UHFFFAOYSA-N"
"2138","CC(=O)N1CCC(O)CC1","[R1]C1CN(CCC1O)C(=O)C[R2]","143.186","143.094628656","-0.41","10","1","2","1","0","40.54","C7H13NO2","InChI=1S/C7H13NO2/c1-6(9)8-4-2-7(10)3-5-8/h7,10H,2-5H2,1H3","KZPIFQYDCVCSDS-UHFFFAOYSA-N"
"2139","CCCCCCCCCCC(N)=O","[R1]NC(=O)CCCCCCCCCC[R2]","185.311","185.177964356","3.76","13","0","1","1","9","43.09","C11H23NO","InChI=1S/C11H23NO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H2,12,13)","FKVMWDZRDMCIAJ-UHFFFAOYSA-N"
"2140","CCOCCOCCC(=O)NCCCCCC=O","[R1]CCOCCOCCC(=O)NCCCCCC(=O)[R2]","259.346","259.17835828","0.05","18","0","4","1","13","64.63","C13H25NO4","InChI=1S/C13H25NO4/c1-2-17-11-12-18-10-7-13(16)14-8-5-3-4-6-9-15/h9H,2-8,10-12H2,1H3,(H,14,16)","FUUZPOCSAQBTAX-UHFFFAOYSA-N"
"2141","CCCCNC(=O)CCOCCOCCOCC","[R1]CCCCNC(=O)CCOCCOCCOCC[R2]","261.362","261.194008344","0.65","18","0","4","1","13","56.79","C13H27NO4","InChI=1S/C13H27NO4/c1-3-5-7-14-13(15)6-8-17-11-12-18-10-9-16-4-2/h3-12H2,1-2H3,(H,14,15)","UBXKGZDHVQJPSV-UHFFFAOYSA-N"
"2142","CCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCC[R2]","179.223","179.105862036","0.68","13","1","3","2","3","68.01","C9H13N3O","InChI=1S/C9H13N3O/c1-2-5-11-9(13)7-3-4-8(10)12-6-7/h3-4,6H,2,5H2,1H3,(H2,10,12)(H,11,13)","XOPPHPVZBXSGOW-UHFFFAOYSA-N"
"2143","CCCCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCCCC[R2]","207.277","207.137162164","1.57","15","1","3","2","5","68.01","C11H17N3O","InChI=1S/C11H17N3O/c1-2-3-4-7-13-11(15)9-5-6-10(12)14-8-9/h5-6,8H,2-4,7H2,1H3,(H2,12,14)(H,13,15)","GLKRZQCNOQUZKQ-UHFFFAOYSA-N"
"2144","CCCCCCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCCCCCC[R2]","235.331","235.168462292","2.66","17","1","3","2","7","68.01","C13H21N3O","InChI=1S/C13H21N3O/c1-2-3-4-5-6-9-15-13(17)11-7-8-12(14)16-10-11/h7-8,10H,2-6,9H2,1H3,(H2,14,16)(H,15,17)","BDVBFHJUIQIPSC-UHFFFAOYSA-N"
"2145","CCCCCCCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCC[R2]","249.358","249.184112356","3.2","18","1","3","2","8","68.01","C14H23N3O","InChI=1S/C14H23N3O/c1-2-3-4-5-6-7-10-16-14(18)12-8-9-13(15)17-11-12/h8-9,11H,2-7,10H2,1H3,(H2,15,17)(H,16,18)","WWLRTOCLTYGDRF-UHFFFAOYSA-N"
"2146","CCCCCCCCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCC[R2]","263.385","263.19976242","3.74","19","1","3","2","9","68.01","C15H25N3O","InChI=1S/C15H25N3O/c1-2-3-4-5-6-7-8-11-17-15(19)13-9-10-14(16)18-12-13/h9-10,12H,2-8,11H2,1H3,(H2,16,18)(H,17,19)","MVLYKKLFLALMCJ-UHFFFAOYSA-N"
"2147","CCCCCCCCCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCCC[R2]","277.412","277.215412484","4.28","20","1","3","2","10","68.01","C16H27N3O","InChI=1S/C16H27N3O/c1-2-3-4-5-6-7-8-9-12-18-16(20)14-10-11-15(17)19-13-14/h10-11,13H,2-9,12H2,1H3,(H2,17,19)(H,18,20)","BATJUTGRDMKODQ-UHFFFAOYSA-N"
"2148","CCCCCCCCCCCNC(=O)C1=CC=C(N)N=C1","[R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCCCC[R2]","291.439","291.231062548","4.82","21","1","3","2","11","68.01","C17H29N3O","InChI=1S/C17H29N3O/c1-2-3-4-5-6-7-8-9-10-13-19-17(21)15-11-12-16(18)20-14-15/h11-12,14H,2-10,13H2,1H3,(H2,18,20)(H,19,21)","VGVMGQBSYWBURE-UHFFFAOYSA-N"
"2149","O=C(CO)NCCOCCO","[R1]OCCOCCNC(=O)CO[R2]","163.173","163.084457896","-1.94","11","0","4","3","6","78.79","C6H13NO4","InChI=1S/C6H13NO4/c8-2-4-11-3-1-7-6(10)5-9/h8-9H,1-5H2,(H,7,10)","FUFOEFCRWXASGF-UHFFFAOYSA-N"
"2150","O=C(CO)NCCOCCOCCO","[R1]OCCOCCOCCNC(=O)CO[R2]","207.226","207.110672644","-2.09","14","0","5","3","9","88.02","C8H17NO5","InChI=1S/C8H17NO5/c10-2-4-14-6-5-13-3-1-9-8(12)7-11/h10-11H,1-7H2,(H,9,12)","HLPLWHOQAKWZIS-UHFFFAOYSA-N"
"2151","O=C(CO)NCCCCCCCO","[R1]OCCCCCCCNC(=O)CO[R2]","189.255","189.136493468","0.17","13","0","3","3","8","69.56","C9H19NO3","InChI=1S/C9H19NO3/c11-7-5-3-1-2-4-6-10-9(13)8-12/h11-12H,1-8H2,(H,10,13)","PDZNKHMBYNIFAG-UHFFFAOYSA-N"
"2152","O=C(CCOCCO)N1CCC(O)CC1","[R1]OC1CCN(CC1)C(=O)CCOCCO[R2]","217.265","217.131408088","-1.3","15","1","4","2","5","70","C10H19NO4","InChI=1S/C10H19NO4/c12-6-8-15-7-3-10(14)11-4-1-9(13)2-5-11/h9,12-13H,1-8H2","PZLINOPOPNLLFB-UHFFFAOYSA-N"
"2153","CCOCCC(=O)N1CCC(O)CC1","[R1]OC1CCN(CC1)C(=O)CCOCC[R2]","201.266","201.136493468","-0.25","14","1","3","1","4","49.77","C10H19NO3","InChI=1S/C10H19NO3/c1-2-14-8-5-10(13)11-6-3-9(12)4-7-11/h9,12H,2-8H2,1H3","ZIDLCCXLMRVIEX-UHFFFAOYSA-N"
"2154","O=C(CO)NCCOCCC(=O)N1CCC(O)CC1","[R1]OC1CCN(CC1)C(=O)CCOCCNC(=O)CO[R2]","274.317","274.152871804","-1.96","19","1","5","3","7","99.1","C12H22N2O5","InChI=1S/C12H22N2O5/c15-9-11(17)13-4-8-19-7-3-12(18)14-5-1-10(16)2-6-14/h10,15-16H,1-9H2,(H,13,17)","YEASYIVFDANOKJ-UHFFFAOYSA-N"
"2155","CCOCCOCCC(=O)N1CCC(O)CC1","[R1]OC1CCN(CC1)C(=O)CCOCCOCC[R2]","245.319","245.162708216","-0.4","17","1","4","1","7","59","C12H23NO4","InChI=1S/C12H23NO4/c1-2-16-9-10-17-8-5-12(15)13-6-3-11(14)4-7-13/h11,14H,2-10H2,1H3","DCPDDVNFHLBCDC-UHFFFAOYSA-N"
"2156","O=C(CCOCCOCCO)N1CCC(O)CC1","[R1]OC1CCN(CC1)C(=O)CCOCCOCCO[R2]","261.318","261.157622836","-1.45","18","1","5","2","8","79.23","C12H23NO5","InChI=1S/C12H23NO5/c14-6-8-18-10-9-17-7-3-12(16)13-4-1-11(15)2-5-13/h11,14-15H,1-10H2","GYXKILJBMIGWQS-UHFFFAOYSA-N"
"2157","O=C(CO)NCCOCCOCCC(=O)N1CCC(O)CC1","[R1]OC1CCN(CC1)C(=O)CCOCCOCCNC(=O)CO[R2]","318.37","318.179086552","-2.11","22","1","6","3","10","108.33","C14H26N2O6","InChI=1S/C14H26N2O6/c17-11-13(19)15-4-8-22-10-9-21-7-3-14(20)16-5-1-12(18)2-6-16/h12,17-18H,1-11H2,(H,15,19)","FXCJCWVQZFDLLA-UHFFFAOYSA-N"
"2158","CCOCCC(=O)N1CC(O)C1","[R1]OC1CN(C1)C(=O)CCOCC[R2]","173.212","173.10519334","-0.97","12","1","3","1","4","49.77","C8H15NO3","InChI=1S/C8H15NO3/c1-2-12-4-3-8(11)9-5-7(10)6-9/h7,10H,2-6H2,1H3","BWKLEEZPPRUEPP-UHFFFAOYSA-N"
"2159","O=C(CO)NCCOCCC(=O)N1CC(O)C1","[R1]OC1CN(C1)C(=O)CCOCCNC(=O)CO[R2]","246.263","246.121571676","-2.67","17","1","5","3","7","99.1","C10H18N2O5","InChI=1S/C10H18N2O5/c13-7-9(15)11-2-4-17-3-1-10(16)12-5-8(14)6-12/h8,13-14H,1-7H2,(H,11,15)","YCDRLSZTJQLUFG-UHFFFAOYSA-N"
"2160","CCOCCOCCC(=O)N1CC(O)C1","[R1]OC1CN(C1)C(=O)CCOCCOCC[R2]","217.265","217.131408088","-1.12","15","1","4","1","7","59","C10H19NO4","InChI=1S/C10H19NO4/c1-2-14-5-6-15-4-3-10(13)11-7-9(12)8-11/h9,12H,2-8H2,1H3","UDWGNNZGFSXUOE-UHFFFAOYSA-N"
"2161","O=C(CCOCCOCCO)N1CC(O)C1","[R1]OC1CN(C1)C(=O)CCOCCOCCO[R2]","233.264","233.126322708","-2.17","16","1","5","2","8","79.23","C10H19NO5","InChI=1S/C10H19NO5/c12-2-4-16-6-5-15-3-1-10(14)11-7-9(13)8-11/h9,12-13H,1-8H2","YSWYVBFSBHCPIA-UHFFFAOYSA-N"
"2162","O=C(CO)NCCOCCOCCC(=O)N1CC(O)C1","[R1]OC1CN(C1)C(=O)CCOCCOCCNC(=O)CO[R2]","290.316","290.147786424","-2.82","20","1","6","3","10","108.33","C12H22N2O6","InChI=1S/C12H22N2O6/c15-9-11(17)13-2-4-20-6-5-19-3-1-12(18)14-7-10(16)8-14/h10,15-16H,1-9H2,(H,13,17)","MTBZFPDDFKUONM-UHFFFAOYSA-N"
"2163","OCCCCCCCCCCO","[R1]OCCCCCCCCCCO[R2]","174.284","174.161979944","2.45","12","0","2","2","9","40.46","C10H22O2","InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2","FOTKYAAJKYLFFN-UHFFFAOYSA-N"
"2164","O=C(CO)NCCCCCCCCCCO","[R1]OCCCCCCCCCCNC(=O)CO[R2]","231.336","231.18344366","1.8","16","0","3","3","11","69.56","C12H25NO3","InChI=1S/C12H25NO3/c14-10-8-6-4-2-1-3-5-7-9-13-12(16)11-15/h14-15H,1-11H2,(H,13,16)","QHQBFXHHXKVRNM-UHFFFAOYSA-N"
"2165","O=C(CO)NCCOCCOCCCN1CC(O)C1","[R1]OC1CN(C1)CCCOCCOCCNC(=O)CO[R2]","276.333","276.168521868","-1.86","19","1","6","3","11","91.26","C12H24N2O5","InChI=1S/C12H24N2O5/c15-10-12(17)13-2-5-19-7-6-18-4-1-3-14-8-11(16)9-14/h11,15-16H,1-10H2,(H,13,17)","OEAGMJWNQJQDOY-UHFFFAOYSA-N"
"2166","CCOCCOCCOCCOCCOCCO","[R1]CCOCCOCCOCCOCCOCCO[R2]","266.334","266.172938552","-0.83","18","0","6","1","15","66.38","C12H26O6","InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3","NJRFAMBTWHGSDE-UHFFFAOYSA-N"
"2167","CCCCCCCCCCO","[R1]OCCCCCCCCCC[R2]","158.285","158.167065324","4.04","11","0","1","1","8","20.23","C10H22O","InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3","MWKFXSUHUHTGQN-UHFFFAOYSA-N"
"2168","O=C(CCOCCO)N1CC(O)C1","[R1]OC1CN(C1)C(=O)CCOCCO[R2]","189.211","189.10010796","-2.02","13","1","4","2","5","70","C8H15NO4","InChI=1S/C8H15NO4/c10-2-4-13-3-1-8(12)9-5-7(11)6-9/h7,10-11H,1-6H2","QSWVRNAVZCJKPD-UHFFFAOYSA-N"
"2169","O=C(CO)NCCOCCCN1CCC(O)CC1","[R1]OC1CCN(CC1)CCCOCCNC(=O)CO[R2]","260.334","260.173607248","-1","18","1","5","3","8","82.03","C12H24N2O4","InChI=1S/C12H24N2O4/c15-10-12(17)13-4-9-18-8-1-5-14-6-2-11(16)3-7-14/h11,15-16H,1-10H2,(H,13,17)","VKAJFWJLBPOXBK-UHFFFAOYSA-N"
"2170","O=C(CO)NCCOCCOCCCN1CCC(O)CC1","[R1]OC1CCN(CC1)CCCOCCOCCNC(=O)CO[R2]","304.387","304.199821996","-1.14","21","1","6","3","11","91.26","C14H28N2O5","InChI=1S/C14H28N2O5/c17-12-14(19)15-4-9-21-11-10-20-8-1-5-16-6-2-13(18)3-7-16/h13,17-18H,1-12H2,(H,15,19)","ZRGVSOMTZSXVBP-UHFFFAOYSA-N"
"2171","O=C(CO)NCCOCCOCCOCCOCCO","[R1]OCCOCCOCCOCCOCCNC(=O)CO[R2]","295.332","295.16310214","-2.39","20","0","7","3","15","106.48","C12H25NO7","InChI=1S/C12H25NO7/c14-2-4-18-6-8-20-10-9-19-7-5-17-3-1-13-12(16)11-15/h14-15H,1-11H2,(H,13,16)","FWXVMVQFHVVHLN-UHFFFAOYSA-N"
"2172","OCCOCCCN1CCC(O)CC1","[R1]OC1CCN(CC1)CCCOCCO[R2]","203.282","203.152143532","-0.34","14","1","4","2","6","52.93","C10H21NO3","InChI=1S/C10H21NO3/c12-7-9-14-8-1-4-11-5-2-10(13)3-6-11/h10,12-13H,1-9H2","FTUUADFMNFRMJR-UHFFFAOYSA-N"
"2173","CCOCCCN1CCC(O)CC1","[R1]OC1CCN(CC1)CCCOCC[R2]","187.283","187.157228912","0.71","13","1","3","1","5","32.7","C10H21NO2","InChI=1S/C10H21NO2/c1-2-13-9-3-6-11-7-4-10(12)5-8-11/h10,12H,2-9H2,1H3","HUTVIQASCYVTSO-UHFFFAOYSA-N"
"2174","OCCOCCOCCCN1CCC(O)CC1","[R1]OC1CCN(CC1)CCCOCCOCCO[R2]","247.335","247.17835828","-0.49","17","1","5","2","9","62.16","C12H25NO4","InChI=1S/C12H25NO4/c14-7-9-17-11-10-16-8-1-4-13-5-2-12(15)3-6-13/h12,14-15H,1-11H2","PGZNWOLYKSCPOX-UHFFFAOYSA-N"
"2175","CCOCCOCCCN1CCC(O)CC1","[R1]OC1CCN(CC1)CCCOCCOCC[R2]","231.336","231.18344366","0.56","16","1","4","1","8","41.93","C12H25NO3","InChI=1S/C12H25NO3/c1-2-15-10-11-16-9-3-6-13-7-4-12(14)5-8-13/h12,14H,2-11H2,1H3","DYZIGRUGHWYZIW-UHFFFAOYSA-N"
"2176","CCCCCN","[R1]CCCCCN[R2]","87.166","87.104799416","1.08","6","0","1","1","3","26.02","C5H13N","InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3","DPBLXKKOBLCELK-UHFFFAOYSA-N"
"2177","CCCCCNC(=O)C1CCNCC1","[R1]CCCCCNC(=O)C1CCN(CC1)[R2]","198.31","198.173213324","1.36","14","1","2","2","5","41.13","C11H22N2O","InChI=1S/C11H22N2O/c1-2-3-4-7-13-11(14)10-5-8-12-9-6-10/h10,12H,2-9H2,1H3,(H,13,14)","AQYBWLBGMNEMJU-UHFFFAOYSA-N"
"2178","CCCCCNC(=O)C1CNC1","[R1]CCCCCNC(=O)C1CN(C1)[R2]","170.256","170.141913196","0.65","12","1","2","2","5","41.13","C9H18N2O","InChI=1S/C9H18N2O/c1-2-3-4-5-11-9(12)8-6-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)","DOPVTSOPXDLXPM-UHFFFAOYSA-N"
"2179","CCCCCNC(=O)CN","[R1]CCCCCNC(=O)CN[R2]","144.218","144.126263132","0.42","10","0","2","2","5","55.12","C7H16N2O","InChI=1S/C7H16N2O/c1-2-3-4-5-9-7(10)6-8/h2-6,8H2,1H3,(H,9,10)","IMQUQJCTWDGRHT-UHFFFAOYSA-N"
"2180","CCCNC(=O)C1CCNCC1","[R1]CCCNC(=O)C1CCN(CC1)[R2]","170.256","170.141913196","0.46","12","1","2","2","3","41.13","C9H18N2O","InChI=1S/C9H18N2O/c1-2-5-11-9(12)8-3-6-10-7-4-8/h8,10H,2-7H2,1H3,(H,11,12)","CFJIWUIQOQCGKP-UHFFFAOYSA-N"
"2181","CCOCCNC(=O)C1CCNCC1","[R1]CCOCCNC(=O)C1CCN(CC1)[R2]","200.282","200.15247788","-0.21","14","1","3","2","5","50.36","C10H20N2O2","InChI=1S/C10H20N2O2/c1-2-14-8-7-12-10(13)9-3-5-11-6-4-9/h9,11H,2-8H2,1H3,(H,12,13)","ZCAAIHZEOLGGBC-UHFFFAOYSA-N"
"2182","CCCCCCCCNC(=O)C1CCNCC1","[R1]CCCCCCCCNC(=O)C1CCN(CC1)[R2]","240.391","240.220163516","2.98","17","1","2","2","8","41.13","C14H28N2O","InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-10-16-14(17)13-8-11-15-12-9-13/h13,15H,2-12H2,1H3,(H,16,17)","NSSJCUMWKPYHCH-UHFFFAOYSA-N"
"2183","CCCCCCCCNC(=O)C1CNC1","[R1]CCCCCCCCNC(=O)C1CN(C1)[R2]","212.337","212.188863388","2.27","15","1","2","2","8","41.13","C12H24N2O","InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-8-14-12(15)11-9-13-10-11/h11,13H,2-10H2,1H3,(H,14,15)","SYWBVFDAOWVWPS-UHFFFAOYSA-N"
"2184","C[C@H]1CCNC1","[R1]C[C@H]1CCN(C1)[R2]","85.15","85.089149352","0.72","6","1","1","1","0","12.03","C5H11N","InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m0/s1","KYINPWAJIVTFBW-YFKPBYRVSA-N"
"2185","C1=CC=C(O[C@H]2C[C@H](OC3CCN(CC4CCNCC4)CC3)C2)N=C1","[R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CC4CCN(CC4)[R2]","345.487","345.241627232","2.54","25","4","5","1","6","46.62","C20H31N3O2","InChI=1S/C20H31N3O2/c1-2-8-22-20(3-1)25-19-13-18(14-19)24-17-6-11-23(12-7-17)15-16-4-9-21-10-5-16/h1-3,8,16-19,21H,4-7,9-15H2/t18-,19-","NBJNQHHLDKXXBH-WGSAOQKQSA-N"
"2186","NC(=O)CCCCCNC(=O)C1=CN=CN=C1","[R1]C1=NC=C(C=N1)C(=O)NCCCCCC(=O)N[R2]","236.275","236.127325752","-0.6","17","1","4","2","7","97.97","C11H16N4O2","InChI=1S/C11H16N4O2/c12-10(16)4-2-1-3-5-15-11(17)9-6-13-8-14-7-9/h6-8H,1-5H2,(H2,12,16)(H,15,17)","AMJVBWMYZWSACT-UHFFFAOYSA-N"
"2187","NC(=O)CCCCCCNC(=O)C1=CN=CN=C1","[R1]C1=NC=C(C=N1)C(=O)NCCCCCCC(=O)N[R2]","250.302","250.142975816","-0.06","18","1","4","2","8","97.97","C12H18N4O2","InChI=1S/C12H18N4O2/c13-11(17)5-3-1-2-4-6-16-12(18)10-7-14-9-15-8-10/h7-9H,1-6H2,(H2,13,17)(H,16,18)","CXSKKOPGJUKSQR-UHFFFAOYSA-N"
"2188","NC(=O)CCCCCCCCCCNC(=O)C1=CN=CN=C1","[R1]C1=NC=C(C=N1)C(=O)NCCCCCCCCCCC(=O)N[R2]","306.41","306.205576072","2.11","22","1","4","2","12","97.97","C16H26N4O2","InChI=1S/C16H26N4O2/c17-15(21)9-7-5-3-1-2-4-6-8-10-20-16(22)14-11-18-13-19-12-14/h11-13H,1-10H2,(H2,17,21)(H,20,22)","DZZFUQNSIHGPLA-UHFFFAOYSA-N"
"2189","NC(=O)CCCCCCCCCCCNC(=O)C1=CN=CN=C1","[R1]C1=NC=C(C=N1)C(=O)NCCCCCCCCCCCC(=O)N[R2]","320.437","320.221226136","2.65","23","1","4","2","13","97.97","C17H28N4O2","InChI=1S/C17H28N4O2/c18-16(22)10-8-6-4-2-1-3-5-7-9-11-21-17(23)15-12-19-14-20-13-15/h12-14H,1-11H2,(H2,18,22)(H,21,23)","UEURTBRBPCHAQT-UHFFFAOYSA-N"
"2190","COCCNC=O","[R1]C(=O)NCCOC[R2]","103.121","103.063328528","0","7","0","2","1","4","38.33","C4H9NO2","InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","SSQTXMAIJVOVIP-UHFFFAOYSA-N"
"2191","CCN(C)CCNC=O","[R1]C(=O)NCCN(C[R2])CC","130.191","130.110613068","0.55","9","0","2","1","5","32.34","C6H14N2O","InChI=1S/C6H14N2O/c1-3-8(2)5-4-7-6-9/h6H,3-5H2,1-2H3,(H,7,9)","FBHVWRLQEBNMEV-UHFFFAOYSA-N"
"2192","CN1CCN(C=O)CC1","[R1]C(=O)N1CCN(CC1)C[R2]","128.175","128.094963004","0.09","9","1","2","0","1","23.55","C6H12N2O","InChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3","JQTMGOLZSBTZMS-UHFFFAOYSA-N"
"2193","NC(=O)CCC=O","[R1]NC(=O)CCC(=O)[R2]","101.105","101.047678464","-1.49","7","0","2","1","3","60.16","C4H7NO2","InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h3H,1-2H2,(H2,5,7)","WUOVJZPIPLAQBE-UHFFFAOYSA-N"
"2194","NC(=O)CNCC=O","[R1]NC(=O)CNCC(=O)[R2]","116.12","116.058577496","-1.73","8","0","3","2","4","72.19","C4H8N2O2","InChI=1S/C4H8N2O2/c5-4(8)3-6-1-2-7/h2,6H,1,3H2,(H2,5,8)","KYAQRTXUWUIZPJ-UHFFFAOYSA-N"
"2195","NC(=O)CCCCC=O","[R1]NC(=O)CCCCC(=O)[R2]","129.159","129.078978592","-0.78","9","0","2","1","5","60.16","C6H11NO2","InChI=1S/C6H11NO2/c7-6(9)4-2-1-3-5-8/h5H,1-4H2,(H2,7,9)","UMQZADTVAIXLJE-UHFFFAOYSA-N"
"2196","NCC(=O)NCC(=O)NCC(=O)NCC=O","[R1]NCC(=O)NCC(=O)NCC(=O)NCC(=O)[R2]","230.224","230.101504928","-3.15","16","0","5","4","7","130.39","C8H14N4O4","InChI=1S/C8H14N4O4/c9-3-6(14)11-5-8(16)12-4-7(15)10-1-2-13/h2H,1,3-5,9H2,(H,10,15)(H,11,14)(H,12,16)","CWIRVIUUKDSZGS-UHFFFAOYSA-N"
"2197","NCC(=O)NCC(=O)NCC=O","[R1]NCC(=O)NCC(=O)NCC(=O)[R2]","173.172","173.080041212","-2.49","12","0","4","3","5","101.29","C6H11N3O3","InChI=1S/C6H11N3O3/c7-3-5(11)9-4-6(12)8-1-2-10/h2H,1,3-4,7H2,(H,8,12)(H,9,11)","RRUCHHPCCXAUEE-UHFFFAOYSA-N"
"2198","NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC=O","[R1]NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)[R2]","287.276","287.122968644","-3.8","20","0","6","5","9","159.49","C10H17N5O5","InChI=1S/C10H17N5O5/c11-3-7(17)13-5-9(19)15-6-10(20)14-4-8(18)12-1-2-16/h2H,1,3-6,11H2,(H,12,18)(H,13,17)(H,14,20)(H,15,19)","DIQCJSUEGUWCFE-UHFFFAOYSA-N"
"2199","NCCOCCOCC=O","[R1]NCCOCCOCC(=O)[R2]","147.174","147.089543276","-1.48","10","0","4","1","7","61.55","C6H13NO3","InChI=1S/C6H13NO3/c7-1-3-9-5-6-10-4-2-8/h2H,1,3-7H2","QZKNUSUQYMYGNK-UHFFFAOYSA-N"
"2200","NCCOCCOCCOCC=O","[R1]NCCOCCOCCOCC(=O)[R2]","191.227","191.115758024","-1.63","13","0","5","1","10","70.78","C8H17NO4","InChI=1S/C8H17NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h2H,1,3-9H2","CFXYEARFECEFDH-UHFFFAOYSA-N"
"2201","NCCOCCOCCOCCOCC=O","[R1]NCCOCCOCCOCCOCC(=O)[R2]","235.28","235.141972772","-1.77","16","0","6","1","13","80.01","C10H21NO5","InChI=1S/C10H21NO5/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h2H,1,3-11H2","OISXLZLHNVGYLK-UHFFFAOYSA-N"
"2202","NCCC(=O)NCCC=O","[R1]NCCC(=O)NCCC(=O)[R2]","144.174","144.089877624","-2.03","10","0","3","2","5","72.19","C6H12N2O2","InChI=1S/C6H12N2O2/c7-3-2-6(10)8-4-1-5-9/h5H,1-4,7H2,(H,8,10)","ZNVKVWCFNNMMJG-UHFFFAOYSA-N"
"2203","NCCC(=O)NCC=O","[R1]NCCC(=O)NCC(=O)[R2]","130.147","130.07422756","-1.94","9","0","3","2","4","72.19","C5H10N2O2","InChI=1S/C5H10N2O2/c6-2-1-5(9)7-3-4-8/h4H,1-3,6H2,(H,7,9)","NOVRTSXXUPFHKT-UHFFFAOYSA-N"
"2204","NCC(=O)NCC=O","[R1]NCC(=O)NCC(=O)[R2]","116.12","116.058577496","-1.84","8","0","3","2","3","72.19","C4H8N2O2","InChI=1S/C4H8N2O2/c5-3-4(8)6-1-2-7/h2H,1,3,5H2,(H,6,8)","GMZSLYDFIHSVMT-UHFFFAOYSA-N"
"2205","CNCC(=O)NCCCO","[R1]N(C)CC(=O)NCCCO[R2]","146.19","146.105527688","-1.18","10","0","3","3","5","61.36","C6H14N2O2","InChI=1S/C6H14N2O2/c1-7-5-6(10)8-3-2-4-9/h7,9H,2-5H2,1H3,(H,8,10)","WRPVJVUXDKRSGX-UHFFFAOYSA-N"
"2206","CNCC(=O)NCCCCO","[R1]N(C)CC(=O)NCCCCO[R2]","160.217","160.121177752","-0.83","11","0","3","3","6","61.36","C7H16N2O2","InChI=1S/C7H16N2O2/c1-8-6-7(11)9-4-2-3-5-10/h8,10H,2-6H2,1H3,(H,9,11)","MSLAPXZDVUYHDQ-UHFFFAOYSA-N"
"2207","CNCC(=O)NCCCCCO","[R1]N(C)CC(=O)NCCCCCO[R2]","174.244","174.136827816","-0.47","12","0","3","3","7","61.36","C8H18N2O2","InChI=1S/C8H18N2O2/c1-9-7-8(12)10-5-3-2-4-6-11/h9,11H,2-7H2,1H3,(H,10,12)","NTUCJENCDOXTRF-UHFFFAOYSA-N"
"2208","CNCC(=O)NCCOCCO","[R1]N(C)CC(=O)NCCOCCO[R2]","176.216","176.116092372","-1.69","12","0","4","3","7","70.59","C7H16N2O3","InChI=1S/C7H16N2O3/c1-8-6-7(11)9-2-4-12-5-3-10/h8,10H,2-6H2,1H3,(H,9,11)","SYYDZHNUNXXIJE-UHFFFAOYSA-N"
"2209","CNCC(=O)NCCOCCOCCO","[R1]N(C)CC(=O)NCCOCCOCCO[R2]","220.269","220.14230712","-1.84","15","0","5","3","10","79.82","C9H20N2O4","InChI=1S/C9H20N2O4/c1-10-8-9(13)11-2-4-14-6-7-15-5-3-12/h10,12H,2-8H2,1H3,(H,11,13)","QLTMDQSEJZZUBW-UHFFFAOYSA-N"
"2210","NCC(=O)NCCCO","[R1]NCC(=O)NCCCO[R2]","132.163","132.089877624","-1.7","9","0","3","3","4","75.35","C5H12N2O2","InChI=1S/C5H12N2O2/c6-4-5(9)7-2-1-3-8/h8H,1-4,6H2,(H,7,9)","PIMLXADKMANMOY-UHFFFAOYSA-N"
"2211","NCC(=O)NCCCCO","[R1]NCC(=O)NCCCCO[R2]","146.19","146.105527688","-1.34","10","0","3","3","5","75.35","C6H14N2O2","InChI=1S/C6H14N2O2/c7-5-6(10)8-3-1-2-4-9/h9H,1-5,7H2,(H,8,10)","DFMZIUNIBJFWBP-UHFFFAOYSA-N"
"2212","NCC(=O)NCCCCCO","[R1]NCC(=O)NCCCCCO[R2]","160.217","160.121177752","-0.98","11","0","3","3","6","75.35","C7H16N2O2","InChI=1S/C7H16N2O2/c8-6-7(11)9-4-2-1-3-5-10/h10H,1-6,8H2,(H,9,11)","CURKCVIQEBIACY-UHFFFAOYSA-N"
"2213","NCC(=O)NCCOCCO","[R1]NCC(=O)NCCOCCO[R2]","162.189","162.100442308","-2.2","11","0","4","3","6","84.58","C6H14N2O3","InChI=1S/C6H14N2O3/c7-5-6(10)8-1-3-11-4-2-9/h9H,1-5,7H2,(H,8,10)","KEWUKJDLXYDFMR-UHFFFAOYSA-N"
"2214","NCC(=O)NCCOCCOCCO","[R1]NCC(=O)NCCOCCOCCO[R2]","206.242","206.126657056","-2.35","14","0","5","3","9","93.81","C8H18N2O4","InChI=1S/C8H18N2O4/c9-7-8(12)10-1-3-13-5-6-14-4-2-11/h11H,1-7,9H2,(H,10,12)","WJIZYMCMQZBUSO-UHFFFAOYSA-N"
"2215","O=C(CN1CCNCC1)NCCCO","[R1]N1CCN(CC1)CC(=O)NCCCO[R2]","201.27","201.147726848","-1.37","14","1","4","3","5","64.6","C9H19N3O2","InChI=1S/C9H19N3O2/c13-7-1-2-11-9(14)8-12-5-3-10-4-6-12/h10,13H,1-8H2,(H,11,14)","QOKXUFARWLTLHE-UHFFFAOYSA-N"
"2216","O=C(CN1CCNCC1)NCCCCO","[R1]N1CCN(CC1)CC(=O)NCCCCO[R2]","215.297","215.163376912","-1.02","15","1","4","3","6","64.6","C10H21N3O2","InChI=1S/C10H21N3O2/c14-8-2-1-3-12-10(15)9-13-6-4-11-5-7-13/h11,14H,1-9H2,(H,12,15)","CKQXJPOPFPHMEV-UHFFFAOYSA-N"
"2217","O=C(CN1CCNCC1)NCCCCCO","[R1]N1CCN(CC1)CC(=O)NCCCCCO[R2]","229.324","229.179026976","-0.66","16","1","4","3","7","64.6","C11H23N3O2","InChI=1S/C11H23N3O2/c15-9-3-1-2-4-13-11(16)10-14-7-5-12-6-8-14/h12,15H,1-10H2,(H,13,16)","CUEAANJCBWIKAF-UHFFFAOYSA-N"
"2218","O=C(CN1CCNCC1)NCCOCCO","[R1]N1CCN(CC1)CC(=O)NCCOCCO[R2]","231.296","231.158291532","-1.88","16","1","5","3","7","73.83","C10H21N3O3","InChI=1S/C10H21N3O3/c14-6-8-16-7-3-12-10(15)9-13-4-1-11-2-5-13/h11,14H,1-9H2,(H,12,15)","TTWNFKANHZNJHD-UHFFFAOYSA-N"
"2219","O=C(CN1CCNCC1)NCCOCCOCCO","[R1]N1CCN(CC1)CC(=O)NCCOCCOCCO[R2]","275.349","275.18450628","-2.03","19","1","6","3","10","83.06","C12H25N3O4","InChI=1S/C12H25N3O4/c16-6-8-19-10-9-18-7-3-14-12(17)11-15-4-1-13-2-5-15/h13,16H,1-11H2,(H,14,17)","TZBGIHGGDFKRCZ-UHFFFAOYSA-N"
"2220","O=C(CO)NCCCCO","[R1]OCC(=O)NCCCCO[R2]","147.174","147.089543276","-1.08","10","0","3","3","5","69.56","C6H13NO3","InChI=1S/C6H13NO3/c8-4-2-1-3-7-6(10)5-9/h8-9H,1-5H2,(H,7,10)","CWSYIPMVNYAKIY-UHFFFAOYSA-N"
"2221","CNCC(=O)NC","[R1]N(C)CC(=O)NC[R2]","102.137","102.07931294","-0.86","7","0","2","2","2","41.13","C4H10N2O","InChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)","NODGJSNKUCVLNN-UHFFFAOYSA-N"
"2222","CNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NC[R2]","157.217","157.1215121","-1.05","11","1","3","2","2","44.37","C7H15N3O","InChI=1S/C7H15N3O/c1-8-7(11)6-10-4-2-9-3-5-10/h9H,2-6H2,1H3,(H,8,11)","SOTHHBNFPDRYCM-UHFFFAOYSA-N"
"2223","CCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCC[R2]","185.271","185.152812228","-0.15","13","1","3","2","4","44.37","C9H19N3O","InChI=1S/C9H19N3O/c1-2-3-11-9(13)8-12-6-4-10-5-7-12/h10H,2-8H2,1H3,(H,11,13)","RFHNUQVGWJTISN-UHFFFAOYSA-N"
"2224","CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CC[R2]","142.202","142.110613068","-0.46","10","1","2","1","1","32.34","C7H14N2O","InChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3","YEQAMPOYHLICPF-UHFFFAOYSA-N"
"2225","CCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCC[R2]","170.256","170.141913196","0.44","12","1","2","1","3","32.34","C9H18N2O","InChI=1S/C9H18N2O/c1-2-3-4-9(12)11-7-5-10-6-8-11/h10H,2-8H2,1H3","ANEMDFCFHXKSHF-UHFFFAOYSA-N"
"2226","CCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCC[R2]","198.31","198.173213324","1.52","14","1","2","1","5","32.34","C11H22N2O","InChI=1S/C11H22N2O/c1-2-3-4-5-6-11(14)13-9-7-12-8-10-13/h12H,2-10H2,1H3","IDHKBYAENYRHIA-UHFFFAOYSA-N"
"2227","CCOCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCOCC[R2]","186.255","186.136827816","-0.78","13","1","3","1","4","41.57","C9H18N2O2","InChI=1S/C9H18N2O2/c1-2-13-8-3-9(12)11-6-4-10-5-7-11/h10H,2-8H2,1H3","PCPMHFULKDKEQH-UHFFFAOYSA-N"
"2228","CCOCCOCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCOCCOCC[R2]","230.308","230.163042564","-0.93","16","1","4","1","7","50.8","C11H22N2O3","InChI=1S/C11H22N2O3/c1-2-15-9-10-16-8-3-11(14)13-6-4-12-5-7-13/h12H,2-10H2,1H3","KKHKKRMNIRZXCD-UHFFFAOYSA-N"
"2229","NCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CN[R2]","143.19","143.105862036","-1.84","10","1","3","2","1","58.36","C6H13N3O","InChI=1S/C6H13N3O/c7-5-6(10)9-3-1-8-2-4-9/h8H,1-5,7H2","HICOHQNXBHNIFZ-UHFFFAOYSA-N"
"2230","NCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCN[R2]","171.244","171.137162164","-1.58","12","1","3","2","3","58.36","C8H17N3O","InChI=1S/C8H17N3O/c9-3-1-2-8(12)11-6-4-10-5-7-11/h10H,1-7,9H2","CMHPJFDBAUWDTD-UHFFFAOYSA-N"
"2231","NCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCN[R2]","199.298","199.168462292","-0.87","14","1","3","2","5","58.36","C10H21N3O","InChI=1S/C10H21N3O/c11-5-3-1-2-4-10(14)13-8-6-12-7-9-13/h12H,1-9,11H2","ZYOZZJPQHTYXFY-UHFFFAOYSA-N"
"2232","NCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCN[R2]","213.325","213.184112356","-0.33","15","1","3","2","6","58.36","C11H23N3O","InChI=1S/C11H23N3O/c12-6-4-2-1-3-5-11(15)14-9-7-13-8-10-14/h13H,1-10,12H2","DXIPFFGIULVKPL-UHFFFAOYSA-N"
"2233","C#CCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCC#C[R2]","180.295","180.16264864","1.44","13","1","2","1","5","15.27","C11H20N2","InChI=1S/C11H20N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h1,12H,3-11H2","WVFUNJYPGYBUNX-UHFFFAOYSA-N"
"2234","C#CCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCC#C[R2]","194.322","194.178298704","1.98","14","1","2","1","6","15.27","C12H22N2","InChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h1,13H,3-12H2","LFOCKJKOMMECII-UHFFFAOYSA-N"
"2235","CCCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCCC[R2]","226.364","226.204513452","2.6","16","1","2","1","7","32.34","C13H26N2O","InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-13(16)15-11-9-14-10-12-15/h14H,2-12H2,1H3","YTBUHNJZYYUMOW-UHFFFAOYSA-N"
"2236","CCCCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCCCC[R2]","240.391","240.220163516","3.14","17","1","2","1","8","32.34","C14H28N2O","InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14(17)16-12-10-15-11-13-16/h15H,2-13H2,1H3","CJFPGCKUAUNMHO-UHFFFAOYSA-N"
"2237","COCCOCCOCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)COCCOCCOC[R2]","246.307","246.157957184","-1.34","17","1","5","1","8","60.03","C11H22N2O4","InChI=1S/C11H22N2O4/c1-15-6-7-16-8-9-17-10-11(14)13-4-2-12-3-5-13/h12H,2-10H2,1H3","REBLUEVNVDFYAV-UHFFFAOYSA-N"
"2238","CCOCCOCCOCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCOCCOCCOCC[R2]","274.361","274.189257312","-1.07","19","1","5","1","10","60.03","C13H26N2O4","InChI=1S/C13H26N2O4/c1-2-17-9-10-19-12-11-18-8-3-13(16)15-6-4-14-5-7-15/h14H,2-12H2,1H3","REZHHPFMDYQMPG-UHFFFAOYSA-N"
"2239","CCOCCOCCOCCOCCOCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCOCCOCCOCCOCCOCC[R2]","362.467","362.241686808","-1.37","25","1","7","1","16","78.49","C17H34N2O6","InChI=1S/C17H34N2O6/c1-2-21-9-10-23-13-14-25-16-15-24-12-11-22-8-3-17(20)19-6-4-18-5-7-19/h18H,2-16H2,1H3","UIQGRTQSKCIZME-UHFFFAOYSA-N"
"2240","CC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)C[R2]","128.175","128.094963004","-0.93","9","1","2","1","0","32.34","C6H12N2O","InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3","PKDPUENCROCRCH-UHFFFAOYSA-N"
"2241","CCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCC[R2]","184.283","184.15756326","0.98","13","1","2","1","4","32.34","C10H20N2O","InChI=1S/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3","ZVWWNYWKAQNQTM-UHFFFAOYSA-N"
"2242","CCOCCOCCOCCOCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCOCCOCCOCCOCC[R2]","318.414","318.21547206","-1.22","22","1","6","1","13","69.26","C15H30N2O5","InChI=1S/C15H30N2O5/c1-2-19-9-10-21-13-14-22-12-11-20-8-3-15(18)17-6-4-16-5-7-17/h16H,2-14H2,1H3","SWZPDXFBIOEGCC-UHFFFAOYSA-N"
"2243","O=C(CCCS)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCS[R2]","188.296","188.098334132","-0.35","12","1","3","2","3","32.34","C8H16N2OS","InChI=1S/C8H16N2OS/c11-8(2-1-7-12)10-5-3-9-4-6-10/h9,12H,1-7H2","IKCJGKULOSBOMY-UHFFFAOYSA-N"
"2244","C#CCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCC#C[R2]","180.251","180.126263132","-0.07","13","1","2","1","3","32.34","C10H16N2O","InChI=1S/C10H16N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h1,11H,3-9H2","MLLSHJOUKPQMHK-UHFFFAOYSA-N"
"2245","O=C(COCCS)N1CCNCC1","[R1]N1CCN(CC1)C(=O)COCCS[R2]","204.295","204.093248752","-0.76","13","1","4","2","4","41.57","C8H16N2O2S","InChI=1S/C8H16N2O2S/c11-8(7-12-5-6-13)10-3-1-9-2-4-10/h9,13H,1-7H2","MBMJXHJOVAJGJW-UHFFFAOYSA-N"
"2246","SCCCN1CCNCC1","[R1]N1CCN(CC1)CCCS[R2]","160.286","160.103419512","0.25","10","1","3","2","3","15.27","C7H16N2S","InChI=1S/C7H16N2S/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2","FANKEIXSEFGFCZ-UHFFFAOYSA-N"
"2247","SCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCS[R2]","174.313","174.119069576","0.61","11","1","3","2","4","15.27","C8H18N2S","InChI=1S/C8H18N2S/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2","HLJOGTBZGWZZCC-UHFFFAOYSA-N"
"2248","SCCCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCCCS[R2]","202.367","202.150369704","1.32","13","1","3","2","6","15.27","C10H22N2S","InChI=1S/C10H22N2S/c13-10-4-2-1-3-7-12-8-5-11-6-9-12/h11,13H,1-10H2","CRBCVAKPYXSRJP-UHFFFAOYSA-N"
"2249","OCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCO[R2]","158.245","158.141913196","-0.36","11","1","3","2","4","35.5","C8H18N2O","InChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2","RTZVLCNTVAXFMJ-UHFFFAOYSA-N"
"2250","C#CCCCCN1CCNCC1","[R1]N1CCN(CC1)CCCCC#C[R2]","166.268","166.146998576","0.9","12","1","2","1","4","15.27","C10H18N2","InChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h1,11H,3-10H2","ZIBMVPCKRPPMDC-UHFFFAOYSA-N"
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"2303","CCC(C)CC","[R1]CC[C@@H](C)CC[R2]","86.178","86.109550448","3.18","6","0","0","0","2","0","C6H14","InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","PFEOZHBOMNWTJB-UHFFFAOYSA-N"
"2304","CCC(=O)NC","[R1]CCC(=O)NC[R2]","87.122","87.068413908","0.01","6","0","1","1","1","29.1","C4H9NO","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","QJQAMHYHNCADNR-UHFFFAOYSA-N"
"2305","CCNC(=O)COC","[R1]CCNC(=O)COC[R2]","117.148","117.078978592","-0.21","8","0","2","1","3","38.33","C5H11NO2","InChI=1S/C5H11NO2/c1-3-6-5(7)4-8-2/h3-4H2,1-2H3,(H,6,7)","DRTQFFVSKBQUMR-UHFFFAOYSA-N"
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"2309","CCOCCOCCOCCOCCOCCOCCNC(C)=O","[R1]CC(=O)NCCOCCOCCOCCOCCOCCOCC[R2]","351.44","351.225702396","-0.98","24","0","7","1","19","84.48","C16H33NO7","InChI=1S/C16H33NO7/c1-3-19-6-7-21-10-11-23-14-15-24-13-12-22-9-8-20-5-4-17-16(2)18/h3-15H2,1-2H3,(H,17,18)","RESRLDKLGQFXPO-UHFFFAOYSA-N"
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"2321","CCCOC1=CC=C(/C=N\NC(C)=O)C=C1","[R1]CC(=O)N/N=C\C1=CC=C(C=C1)OCCC[R2]","220.272","220.121177752","2.04","16","1","3","1","5","50.69","C12H16N2O2","InChI=1S/C12H16N2O2/c1-3-8-16-12-6-4-11(5-7-12)9-13-14-10(2)15/h4-7,9H,3,8H2,1-2H3,(H,14,15)/b13-9-","YBMUEIPHIGFNQZ-LCYFTJDESA-N"
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"2323","CCCCCOC1=CC=C(/C=N\NC(C)=O)C=C1","[R1]CC(=O)N/N=C\C1=CC=C(C=C1)OCCCCC[R2]","248.326","248.15247788","2.94","18","1","3","1","7","50.69","C14H20N2O2","InChI=1S/C14H20N2O2/c1-3-4-5-10-18-14-8-6-13(7-9-14)11-15-16-12(2)17/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)/b15-11-","IPGQTLDHNKFSSI-PTNGSMBKSA-N"
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"2329","COCCOCCOCCOCCOC1=CC=C(/C=N\NC(C)=O)C=C1","[R1]CC(=O)N/N=C\C1=CC=C(C=C1)OCCOCCOCCOCCOC[R2]","368.43","368.194736616","0.55","26","1","7","1","15","87.61","C18H28N2O6","InChI=1S/C18H28N2O6/c1-16(21)20-19-15-17-3-5-18(6-4-17)26-14-13-25-12-11-24-10-9-23-8-7-22-2/h3-6,15H,7-14H2,1-2H3,(H,20,21)/b19-15-","XMSDTAVDABPKIP-CYVLTUHYSA-N"
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"2333","C#CCNC(=O)COCCOCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCC(=O)NCC#C[R2]","361.398","361.163770836","0.31","26","1","6","2","12","98.25","C18H23N3O5","InChI=1S/C18H23N3O5/c1-3-8-19-18(23)14-25-10-9-24-11-12-26-17-6-4-16(5-7-17)13-20-21-15(2)22/h1,4-7,13H,8-12,14H2,2H3,(H,19,23)(H,21,22)/b20-13+","GHXCBGFALCDOAE-DEDYPNTBSA-N"
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"2335","C#CCNC(=O)COCCOCCOCCOCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCC(=O)NCC#C[R2]","449.504","449.216200332","0.01","32","1","8","2","18","116.71","C22H31N3O7","InChI=1S/C22H31N3O7/c1-3-8-23-22(27)18-31-14-13-29-10-9-28-11-12-30-15-16-32-21-6-4-20(5-7-21)17-24-25-19(2)26/h1,4-7,17H,8-16,18H2,2H3,(H,23,27)(H,25,26)/b24-17+","WPXGJABKCLVBMT-JJIBRWJFSA-N"
"2336","C#CCNC(=O)COCCOCCOCCOCCOCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCC(=O)NCC#C[R2]","493.557","493.24241508","-0.13","35","1","9","2","21","125.94","C24H35N3O8","InChI=1S/C24H35N3O8/c1-3-8-25-24(29)20-34-16-15-32-12-11-30-9-10-31-13-14-33-17-18-35-23-6-4-22(5-7-23)19-26-27-21(2)28/h1,4-7,19H,8-18,20H2,2H3,(H,25,29)(H,27,28)/b26-19+","GLOPLRXDFRUTBQ-LGUFXXKBSA-N"
"2337","C#CCNC(=O)COCCOCCOCCOCCOCCOCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCC(=O)NCC#C[R2]","537.61","537.268629828","-0.28","38","1","10","2","24","135.17","C26H39N3O9","InChI=1S/C26H39N3O9/c1-3-8-27-26(31)22-37-18-17-35-14-13-33-10-9-32-11-12-34-15-16-36-19-20-38-25-6-4-24(5-7-25)21-28-29-23(2)30/h1,4-7,21H,8-20,22H2,2H3,(H,27,31)(H,29,30)/b28-21+","JDSHMYIHZSYKLW-SGWCAAJKSA-N"
"2338","C#CCNC(=O)COC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCC(=O)NCC#C[R2]","273.292","273.11134134","0.6","20","1","4","2","6","79.79","C14H15N3O3","InChI=1S/C14H15N3O3/c1-3-8-15-14(19)10-20-13-6-4-12(5-7-13)9-16-17-11(2)18/h1,4-7,9H,8,10H2,2H3,(H,15,19)(H,17,18)/b16-9+","AUQBFKOVLUDAQX-CXUHLZMHSA-N"
"2339","C#CCNC(=O)CCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCC(=O)NCCCC#C[R2]","301.346","301.142641468","0.86","22","1","4","2","8","79.79","C16H19N3O3","InChI=1S/C16H19N3O3/c1-3-10-17-16(21)5-4-11-22-15-8-6-14(7-9-15)12-18-19-13(2)20/h1,6-9,12H,4-5,10-11H2,2H3,(H,17,21)(H,19,20)/b18-12+","YLFNKIGDKOLTBJ-LDADJPATSA-N"
"2340","C#CCNC(=O)CCCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCC(=O)NCCCCC#C[R2]","315.373","315.158291532","1.22","23","1","4","2","9","79.79","C17H21N3O3","InChI=1S/C17H21N3O3/c1-3-11-18-17(22)6-4-5-12-23-16-9-7-15(8-10-16)13-19-20-14(2)21/h1,7-10,13H,4-6,11-12H2,2H3,(H,18,22)(H,20,21)/b19-13+","YAEAQAJILPFIJC-CPNJWEJPSA-N"
"2341","C#CCNC(=O)CCCCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCC(=O)NCCCCCC#C[R2]","329.4","329.173941596","1.58","24","1","4","2","10","79.79","C18H23N3O3","InChI=1S/C18H23N3O3/c1-3-12-19-18(23)7-5-4-6-13-24-17-10-8-16(9-11-17)14-20-21-15(2)22/h1,8-11,14H,4-7,12-13H2,2H3,(H,19,23)(H,21,22)/b20-14+","SDYNUNQLMAKIEB-XSFVSMFZSA-N"
"2342","C#CCNC(=O)CCCCCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCC(=O)NCCCCCCC#C[R2]","343.427","343.18959166","2.12","25","1","4","2","11","79.79","C19H25N3O3","InChI=1S/C19H25N3O3/c1-3-13-20-19(24)8-6-4-5-7-14-25-18-11-9-17(10-12-18)15-21-22-16(2)23/h1,9-12,15H,4-8,13-14H2,2H3,(H,20,24)(H,22,23)/b21-15+","RHMRJFHCRSPUBH-RCCKNPSSSA-N"
"2343","C#CCNC(=O)CCCCCCCOC1=CC=C(/C=N/NC(C)=O)C=C1","[R1]CC(=O)N/N=C/C1=CC=C(C=C1)OCC(=O)NCCCCCCCC#C[R2]","357.454","357.205241724","2.66","26","1","4","2","12","79.79","C20H27N3O3","InChI=1S/C20H27N3O3/c1-3-14-21-20(25)9-7-5-4-6-8-15-26-19-12-10-18(11-13-19)16-22-23-17(2)24/h1,10-13,16H,4-9,14-15H2,2H3,(H,21,25)(H,23,24)/b22-16+","OKHNMXPKWMWAPY-CJLVFECKSA-N"
"2344","COC1=CC=C(CCNC(C)=O)C=C1","[R1]CC(=O)NCCC1=CC=C(C=C1)OC[R2]","193.246","193.11027872","1.47","14","1","2","1","4","38.33","C11H15NO2","InChI=1S/C11H15NO2/c1-9(13)12-8-7-10-3-5-11(14-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,12,13)","VIFWHZYHQSVJGD-UHFFFAOYSA-N"
"2345","CCOC1=CC=C(CCNC(C)=O)C=C1","[R1]CC(=O)NCCC1=CC=C(C=C1)OCC[R2]","207.273","207.125928784","1.83","15","1","2","1","5","38.33","C12H17NO2","InChI=1S/C12H17NO2/c1-3-15-12-6-4-11(5-7-12)8-9-13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)","BHSISRQGRMIEMP-UHFFFAOYSA-N"
"2346","CCCOC1=CC=C(CCNC(C)=O)C=C1","[R1]CC(=O)NCCC1=CC=C(C=C1)OCCC[R2]","221.3","221.141578848","2.36","16","1","2","1","6","38.33","C13H19NO2","InChI=1S/C13H19NO2/c1-3-10-16-13-6-4-12(5-7-13)8-9-14-11(2)15/h4-7H,3,8-10H2,1-2H3,(H,14,15)","ZHYSODFXVXZBRQ-UHFFFAOYSA-N"
"2347","CCCCOC1=CC=C(CCNC(C)=O)C=C1","[R1]CC(=O)NCCC1=CC=C(C=C1)OCCCC[R2]","235.327","235.157228912","2.72","17","1","2","1","7","38.33","C14H21NO2","InChI=1S/C14H21NO2/c1-3-4-11-17-14-7-5-13(6-8-14)9-10-15-12(2)16/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)","YQOLZPLDDIIFIO-UHFFFAOYSA-N"
"2348","CCCCCOC1=CC=C(CCNC(C)=O)C=C1","[R1]CC(=O)NCCC1=CC=C(C=C1)OCCCCC[R2]","249.354","249.172878976","3.26","18","1","2","1","8","38.33","C15H23NO2","InChI=1S/C15H23NO2/c1-3-4-5-12-18-15-8-6-14(7-9-15)10-11-16-13(2)17/h6-9H,3-5,10-12H2,1-2H3,(H,16,17)","KDTFTJPQZBQXGA-UHFFFAOYSA-N"
"2349","C#CCNC(=O)COCCOCCOC1=CC=C(CCNC(C)=O)C=C1","[R1]CC(=O)NCCC1=CC=C(C=C1)OCCOCCOCC(=O)NCC#C[R2]","362.426","362.184171932","0.63","26","1","5","2","13","85.89","C19H26N2O5","InChI=1S/C19H26N2O5/c1-3-9-21-19(23)15-25-12-11-24-13-14-26-18-6-4-17(5-7-18)8-10-20-16(2)22/h1,4-7H,8-15H2,2H3,(H,20,22)(H,21,23)","DDLAOMBWXXKHBB-UHFFFAOYSA-N"
"2350","CCCOCCN","[R1]NCCOCCC[R2]","103.165","103.099714036","0.03","7","0","2","1","4","35.25","C5H13NO","InChI=1S/C5H13NO/c1-2-4-7-5-3-6/h2-6H2,1H3","HMWXCSCBUXKXSA-UHFFFAOYSA-N"
"2351","CCCOCCOCCOCCN","[R1]NCCOCCOCCOCCC[R2]","191.271","191.152143532","-0.26","13","0","4","1","10","53.71","C9H21NO3","InChI=1S/C9H21NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h2-10H2,1H3","VHRPKJAHLQUWEM-UHFFFAOYSA-N"
"2352","CCCCCC(=O)NCCC","[R1]CCCCCC(=O)NCCC[R2]","157.257","157.146664228","2.35","11","0","1","1","6","29.1","C9H19NO","InChI=1S/C9H19NO/c1-3-5-6-7-9(11)10-8-4-2/h3-8H2,1-2H3,(H,10,11)","LSDWZRKMESDKBM-UHFFFAOYSA-N"
"2353","CC1=NN(CC(=O)NCCO)C(C)=C1/N=N/C1=CC=C(CN)C=C1","[R1]NCC1=CC=C(C=C1)/N=N/C2=C(N(N=C2C)CC(=O)NCCO[R2])C","330.392","330.180423944","0.43","24","2","7","3","7","117.89","C16H22N6O2","InChI=1S/C16H22N6O2/c1-11-16(20-19-14-5-3-13(9-17)4-6-14)12(2)22(21-11)10-15(24)18-7-8-23/h3-6,23H,7-10,17H2,1-2H3,(H,18,24)/b20-19+","XSGYRRUFQROXQP-FMQUCBEESA-N"
"2354","CC1=NN(CC=O)C(C)=C1/N=N/C1=CC=C(CNC(=O)CCC(N)=O)C=C1","[R1]C(=O)CN1C(=C(C(=N1)C)/N=N/C2=CC=C(C=C2)CNC(=O)CCC(=O)N[R2])C","370.413","370.175338564","0.33","27","2","7","2","9","131.8","C18H22N6O3","InChI=1S/C18H22N6O3/c1-12-18(13(2)24(23-12)9-10-25)22-21-15-5-3-14(4-6-15)11-20-17(27)8-7-16(19)26/h3-6,10H,7-9,11H2,1-2H3,(H2,19,26)(H,20,27)/b22-21+","OIBDDTWSXOBYNS-QURGRASLSA-N"
"2355","O=CN1CCNCC1","[R1]C(=O)N1CCN(CC1)[R2]","114.148","114.07931294","-0.37","8","1","2","1","1","32.34","C5H10N2O","InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2","MSSDTZLYNMFTKN-UHFFFAOYSA-N"
"2356","O=CNCCCC(=O)N1CCNCC1","[R1]C(=O)NCCCC(=O)N1CCN(CC1)[R2]","199.254","199.132076784","-0.72","14","1","3","2","5","61.44","C9H17N3O2","InChI=1S/C9H17N3O2/c13-8-11-3-1-2-9(14)12-6-4-10-5-7-12/h8,10H,1-7H2,(H,11,13)","KJISHLSVKVKLCH-UHFFFAOYSA-N"
"2357","O=CNCCCCCC(=O)N1CCNCC1","[R1]C(=O)NCCCCCC(=O)N1CCN(CC1)[R2]","227.308","227.163376912","-0.01","16","1","3","2","7","61.44","C11H21N3O2","InChI=1S/C11H21N3O2/c15-10-13-5-3-1-2-4-11(16)14-8-6-12-7-9-14/h10,12H,1-9H2,(H,13,15)","DVXKNACNRWAFRO-UHFFFAOYSA-N"
"2358","O=CNCCCCCCCC(=O)N1CCNCC1","[R1]C(=O)NCCCCCCCC(=O)N1CCN(CC1)[R2]","255.362","255.19467704","1.07","18","1","3","2","9","61.44","C13H25N3O2","InChI=1S/C13H25N3O2/c17-12-15-7-5-3-1-2-4-6-13(18)16-10-8-14-9-11-16/h12,14H,1-11H2,(H,15,17)","ZORQDNSKYWZWES-UHFFFAOYSA-N"
"2359","CCOCCOC1=CC=CC(CN2CCCCC2)=C1","[R1]CCOCCOC1=CC=CC(=C1)CN2CCC(CC2)[R2]","263.381","263.18852904","2.79","19","2","3","0","7","21.7","C16H25NO2","InChI=1S/C16H25NO2/c1-2-18-11-12-19-16-8-6-7-15(13-16)14-17-9-4-3-5-10-17/h6-8,13H,2-5,9-12,14H2,1H3","VVLFNOAOMWAQLC-UHFFFAOYSA-N"
"2360","CCOCCOCCOC1=CC=CC(CN2CCCCC2)=C1","[R1]CCOCCOCCOC1=CC=CC(=C1)CN2CCC(CC2)[R2]","307.434","307.214743788","2.65","22","2","4","0","10","30.93","C18H29NO3","InChI=1S/C18H29NO3/c1-2-20-11-12-21-13-14-22-18-8-6-7-17(15-18)16-19-9-4-3-5-10-19/h6-8,15H,2-5,9-14,16H2,1H3","YQHUFEGGOKGOOH-UHFFFAOYSA-N"
"2361","CCCCOC1=CC=CC(CN2CCCCC2)=C1","[R1]CCCCOC1=CC=CC(=C1)CN2CCC(CC2)[R2]","247.382","247.19361442","3.82","18","2","2","0","6","12.47","C16H25NO","InChI=1S/C16H25NO/c1-2-3-12-18-16-9-7-8-15(13-16)14-17-10-5-4-6-11-17/h7-9,13H,2-6,10-12,14H2,1H3","FGSMOTMUVYNSJO-UHFFFAOYSA-N"
"2362","CCCCCCOC1=CC=CC(CN2CCCCC2)=C1","[R1]CCCCCCOC1=CC=CC(=C1)CN2CCC(CC2)[R2]","275.436","275.224914548","2.94","20","2","2","0","8","12.47","C18H29NO","InChI=1S/C18H29NO/c1-2-3-4-8-14-20-18-11-9-10-17(15-18)16-19-12-6-5-7-13-19/h9-11,15H,2-8,12-14,16H2,1H3","LRSHEFKHQJJGGS-UHFFFAOYSA-N"
"2363","CC1=CC=C(C)C=C1","[R1]CC1=CC=C(C=C1)C[R2]","106.168","106.07825032","2.65","8","1","0","0","0","0","C8H10","InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3","URLKBWYHVLBVBO-UHFFFAOYSA-N"
"2364","CCOCCOCCN1CCNCC1","[R1]CCOCCOCCN1CCN(CC1)[R2]","202.298","202.168127944","-0.32","14","1","4","1","7","33.73","C10H22N2O2","InChI=1S/C10H22N2O2/c1-2-13-9-10-14-8-7-12-5-3-11-4-6-12/h11H,2-10H2,1H3","SEPSEKNYDJZBFC-UHFFFAOYSA-N"
"2365","CCC","[R1]C[C@@H]([R2])C","44.097","44.062600256","1.84","3","0","0","0","0","0","C3H8","InChI=1S/C3H8/c1-3-2/h3H2,1-2H3","ATUOYWHBWRKTHZ-UHFFFAOYSA-N"
"2366","CC1=CC=CC(C)=C1","[R1]CC1=CC(=CC=C1)C[R2]","106.168","106.07825032","2.65","8","1","0","0","0","0","C8H10","InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3","IVSZLXZYQVIEFR-UHFFFAOYSA-N"
"2367","C[C@H]1CC[C@H](C)CC1","[R1]C[C@H]1CC[C@@H](CC1)C[R2]","112.216","112.125200512","3.75","8","1","0","0","0","0","C8H16","InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8-","QRMPKOFEUHIBNM-ZKCHVHJHSA-N"
"2368","C[C@H]1CC[C@@H](C)CC1","[R1]C[C@H]1CC[C@H](CC1)C[R2]","112.216","112.125200512","3.75","8","1","0","0","0","0","C8H16","InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+","QRMPKOFEUHIBNM-OCAPTIKFSA-N"
"2369","CC#CC","[R1]CC#CC[R2]","54.092","54.046950192","1.42","4","0","0","0","0","0","C4H6","InChI=1S/C4H6/c1-3-4-2/h1-2H3","XNMQEEKYCVKGBD-UHFFFAOYSA-N"
"2370","CCCOCCO","[R1]OCCOCCC[R2]","104.149","104.083729624","0.29","7","0","2","1","4","29.46","C5H12O2","InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3","YEYKMVJDLWJFOA-UHFFFAOYSA-N"
"2371","C[C@H]1CC[C@H](CO)CC1","[R1]OC[C@H]1CC[C@@H](CC1)C[R2]","128.215","128.120115132","2.16","9","1","1","1","1","20.23","C8H16O","InChI=1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3/t7-,8-","OSINZLLLLCUKJH-ZKCHVHJHSA-N"
"2372","CCCOCCC(=O)NCC","[R1]CCCOCCC(=O)NCC[R2]","159.229","159.125928784","0.59","11","0","2","1","6","38.33","C8H17NO2","InChI=1S/C8H17NO2/c1-3-6-11-7-5-8(10)9-4-2/h3-7H2,1-2H3,(H,9,10)","TWAWCBUVOBQTHH-UHFFFAOYSA-N"
"2373","CCCCCC(=O)NCC","[R1]CCCCCC(=O)NCC[R2]","143.23","143.131014164","1.82","10","0","1","1","5","29.1","C8H17NO","InChI=1S/C8H17NO/c1-3-5-6-7-8(10)9-4-2/h3-7H2,1-2H3,(H,9,10)","BZWNNMQUYVVGJM-UHFFFAOYSA-N"
"2374","CCCCCCCC(=O)NCC","[R1]CCCCCCCC(=O)NCC[R2]","171.284","171.162314292","2.9","12","0","1","1","7","29.1","C10H21NO","InChI=1S/C10H21NO/c1-3-5-6-7-8-9-10(12)11-4-2/h3-9H2,1-2H3,(H,11,12)","NUZLFHKAOQSBJG-UHFFFAOYSA-N"
"2375","C#CC=O","[R1]C(=O)C#C[R2]","54.048","54.010564684","0.2","4","0","1","0","0","17.07","C3H2O","InChI=1S/C3H2O/c1-2-3-4/h1,3H","IJNJLGFTSIAHEA-UHFFFAOYSA-N"
"2376","C=CC=O","[R1]C(=O)C=C[R2]","56.064","56.026214748","0.32","4","0","1","0","1","17.07","C3H4O","InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2","HGINCPLSRVDWNT-UHFFFAOYSA-N"
"2377","O=CC1CC1","[R1]C(=O)C1CC1[R2]","70.091","70.041864812","0.18","5","1","1","0","1","17.07","C4H6O","InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","JMYVMOUINOAAPA-UHFFFAOYSA-N"
"2378","CCOCCOCCOCCC(=O)NCCCO","[R1]OCCCNC(=O)CCOCCOCCOCC[R2]","263.334","263.1732729","-0.93","18","0","5","2","13","77.02","C12H25NO5","InChI=1S/C12H25NO5/c1-2-16-8-9-18-11-10-17-7-4-12(15)13-5-3-6-14/h14H,2-11H2,1H3,(H,13,15)","ZKYJYZURPORPBS-UHFFFAOYSA-N"
"2379","CCCC(=O)NCCCO","[R1]OCCCNC(=O)CCC[R2]","145.202","145.11027872","0.04","10","0","2","2","5","49.33","C7H15NO2","InChI=1S/C7H15NO2/c1-2-4-7(10)8-5-3-6-9/h9H,2-6H2,1H3,(H,8,10)","BXZXQTXKLQAOEF-UHFFFAOYSA-N"
"2380","CCOCCOCCC(=O)NCCCO","[R1]OCCCNC(=O)CCOCCOCC[R2]","219.281","219.147058152","-0.78","15","0","4","2","10","67.79","C10H21NO4","InChI=1S/C10H21NO4/c1-2-14-8-9-15-7-4-10(13)11-5-3-6-12/h12H,2-9H2,1H3,(H,11,13)","OANDSSFEYNEMKE-UHFFFAOYSA-N"
"2381","CCCCCCCC(=O)NCCCO","[R1]OCCCNC(=O)CCCCCCC[R2]","201.31","201.172878976","2.21","14","0","2","2","9","49.33","C11H23NO2","InChI=1S/C11H23NO2/c1-2-3-4-5-6-8-11(14)12-9-7-10-13/h13H,2-10H2,1H3,(H,12,14)","MJYJHKAVMVYOAZ-UHFFFAOYSA-N"
"2382","CC(=O)NCCCO","[R1]OCCCNC(=O)C[R2]","117.148","117.078978592","-0.79","8","0","2","2","3","49.33","C5H11NO2","InChI=1S/C5H11NO2/c1-5(8)6-3-2-4-7/h7H,2-4H2,1H3,(H,6,8)","LEICDYOVJNQLTN-UHFFFAOYSA-N"
"2383","NCCOCCOCCOCCC(=O)NCCCO","[R1]OCCCNC(=O)CCOCCOCCOCCN[R2]","278.349","278.184171932","-2.24","19","0","6","3","14","103.04","C12H26N2O5","InChI=1S/C12H26N2O5/c13-3-7-18-9-11-19-10-8-17-6-2-12(16)14-4-1-5-15/h15H,1-11,13H2,(H,14,16)","AUGFTRLKMWFBOT-UHFFFAOYSA-N"
"2384","NCCCCC(=O)NCCCO","[R1]OCCCNC(=O)CCCCN[R2]","174.244","174.136827816","-1.08","12","0","3","3","7","75.35","C8H18N2O2","InChI=1S/C8H18N2O2/c9-5-2-1-4-8(12)10-6-3-7-11/h11H,1-7,9H2,(H,10,12)","LOWGEDWNPAIOHE-UHFFFAOYSA-N"
"2385","O=CCCCCCN1C=C(CO)N=N1","[R1]OCC1=CN(N=N1)CCCCCC(=O)[R2]","197.238","197.11642672","-0.72","14","1","5","1","7","68.01","C9H15N3O2","InChI=1S/C9H15N3O2/c13-6-4-2-1-3-5-12-7-9(8-14)10-11-12/h6-7,14H,1-5,8H2","DKVSHQPCLULJQW-UHFFFAOYSA-N"
"2386","CCCCCNC(=O)CO","[R1]OCC(=O)NCCCCC[R2]","145.202","145.11027872","0.68","10","0","2","2","5","49.33","C7H15NO2","InChI=1S/C7H15NO2/c1-2-3-4-5-8-7(10)6-9/h9H,2-6H2,1H3,(H,8,10)","BOELJSPAIXVQPX-UHFFFAOYSA-N"
"2387","CCCCCCCCCCNC(C)=O","CCCCCCCCCCNC(=O)C","199.338","199.19361442","4.04","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-11-13-12(2)14/h3-11H2,1-2H3,(H,13,14)","DXFXMYYJKFIEGI-UHFFFAOYSA-N"
"2388","CCCNC(C)=O","[R1]N(CCC[R2])C(=O)C","101.149","101.084063972","0.43","7","0","1","1","2","29.1","C5H11NO","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","IHPHPGLJYCDONF-UHFFFAOYSA-N"
"2389","CCOCCOCCNC(C)=O","[R1]N(CCOCCOCC[R2])C(=O)C","175.228","175.120843404","-0.39","12","0","3","1","7","47.56","C8H17NO3","InChI=1S/C8H17NO3/c1-3-11-6-7-12-5-4-9-8(2)10/h3-7H2,1-2H3,(H,9,10)","XENYNHWLGLZAAS-UHFFFAOYSA-N"
"2390","CCCOCCOCCOCCOCCC","[R1]CCCOCCOCCOCCOCCC[R2]","234.336","234.183109312","1.42","16","0","4","0","13","36.92","C12H26O4","InChI=1S/C12H26O4/c1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2/h3-12H2,1-2H3","DSPIZZQMSHIZLS-UHFFFAOYSA-N"
"2391","CCCOCCOCCOCCOCCOCCC","[R1]CCCOCCOCCOCCOCCOCCC[R2]","278.389","278.20932406","1.28","19","0","5","0","16","46.15","C14H30O5","InChI=1S/C14H30O5/c1-3-5-15-7-9-17-11-13-19-14-12-18-10-8-16-6-4-2/h3-14H2,1-2H3","POPQOOKGONERGS-UHFFFAOYSA-N"
"2392","CCCOCCOCCOCCOCCOCCOCCC","[R1]CCCOCCOCCOCCOCCOCCOCCC[R2]","322.442","322.235538808","1.13","22","0","6","0","19","55.38","C16H34O6","InChI=1S/C16H34O6/c1-3-5-17-7-9-19-11-13-21-15-16-22-14-12-20-10-8-18-6-4-2/h3-16H2,1-2H3","FYDRXOORGWZION-UHFFFAOYSA-N"
"2393","CCCOCCOCCOCCOCCOCCOCCOCCC","[R1]CCCOCCOCCOCCOCCOCCOCCOCCC[R2]","366.495","366.261753556","0.98","25","0","7","0","22","64.61","C18H38O7","InChI=1S/C18H38O7/c1-3-5-19-7-9-21-11-13-23-15-17-25-18-16-24-14-12-22-10-8-20-6-4-2/h3-18H2,1-2H3","KHQJNEJLVXQVAK-UHFFFAOYSA-N"
"2394","COCCNC(=O)C/C=N/OCC(=O)NCCOCCOC","[R1]COCCOCCNC(=O)CO/N=C/CC(=O)NCCOC[R2]","319.358","319.17433552","-1.34","22","0","7","2","14","107.48","C13H25N3O6","InChI=1S/C13H25N3O6/c1-19-7-5-14-12(17)3-4-16-22-11-13(18)15-6-8-21-10-9-20-2/h4H,3,5-11H2,1-2H3,(H,14,17)(H,15,18)/b16-4+","POWWBPITCNTAQX-AYSLTRBKSA-N"
"2395","CO/N=C/CN","[R1]NC/C=N/OC[R2]","88.11","88.063662876","-0.6","6","0","3","1","2","47.61","C3H8N2O","InChI=1S/C3H8N2O/c1-6-5-3-2-4/h3H,2,4H2,1H3/b5-3+","MZPFDEKDPJUGHH-HWKANZROSA-N"
"2396","CC(=O)NCCNCC=O","[R1]CC(=O)NCCNCC(=O)[R2]","144.174","144.089877624","-1.36","10","0","3","2","5","58.2","C6H12N2O2","InChI=1S/C6H12N2O2/c1-6(10)8-3-2-7-4-5-9/h5,7H,2-4H2,1H3,(H,8,10)","JSEFKNGILOORSK-UHFFFAOYSA-N"
"2397","CC(=O)NCCCNCC=O","[R1]CC(=O)NCCCNCC(=O)[R2]","158.201","158.105527688","-1","11","0","3","2","6","58.2","C7H14N2O2","InChI=1S/C7H14N2O2/c1-7(11)9-4-2-3-8-5-6-10/h6,8H,2-5H2,1H3,(H,9,11)","FSQXHXQXZJAHFJ-UHFFFAOYSA-N"
"2398","CC(=O)NCCCCNCC=O","[R1]CC(=O)NCCCCNCC(=O)[R2]","172.228","172.121177752","-0.64","12","0","3","2","7","58.2","C8H16N2O2","InChI=1S/C8H16N2O2/c1-8(12)10-5-3-2-4-9-6-7-11/h7,9H,2-6H2,1H3,(H,10,12)","XBDJRKIIRSIIGL-UHFFFAOYSA-N"
"2399","CC(=O)NCCCCCCNCC=O","[R1]CC(=O)NCCCCCCNCC(=O)[R2]","200.282","200.15247788","0.07","14","0","3","2","9","58.2","C10H20N2O2","InChI=1S/C10H20N2O2/c1-10(14)12-7-5-3-2-4-6-11-8-9-13/h9,11H,2-8H2,1H3,(H,12,14)","ZVMNOFACOXJDCG-UHFFFAOYSA-N"
"2400","CC(=O)NCCOCCNCC=O","[R1]CC(=O)NCCOCCNCC(=O)[R2]","188.227","188.116092372","-1.51","13","0","4","2","8","67.43","C8H16N2O3","InChI=1S/C8H16N2O3/c1-8(12)10-4-7-13-6-3-9-2-5-11/h5,9H,2-4,6-7H2,1H3,(H,10,12)","INLVXBIYIBHXHS-UHFFFAOYSA-N"
"2401","CC(=O)NCCOCCOCCNCC=O","[R1]CC(=O)NCCOCCOCCNCC(=O)[R2]","232.28","232.14230712","-1.65","16","0","5","2","11","76.66","C10H20N2O4","InChI=1S/C10H20N2O4/c1-10(14)12-4-7-16-9-8-15-6-3-11-2-5-13/h5,11H,2-4,6-9H2,1H3,(H,12,14)","JPFGNKQAXBBBLI-UHFFFAOYSA-N"
"2402","CC(=O)NCCOCCOCCOCCNCC=O","[R1]CC(=O)NCCOCCOCCOCCNCC(=O)[R2]","276.333","276.168521868","-1.8","19","0","6","2","14","85.89","C12H24N2O5","InChI=1S/C12H24N2O5/c1-12(16)14-4-7-18-9-11-19-10-8-17-6-3-13-2-5-15/h5,13H,2-4,6-11H2,1H3,(H,14,16)","XWLXBKPYPMXFIE-UHFFFAOYSA-N"
"2403","CC(=O)NCCOCCOCCOCCOCCNCC=O","[R1]CC(=O)NCCOCCOCCOCCOCCNCC(=O)[R2]","320.386","320.194736616","-1.95","22","0","7","2","17","95.12","C14H28N2O6","InChI=1S/C14H28N2O6/c1-14(18)16-4-7-20-9-11-22-13-12-21-10-8-19-6-3-15-2-5-17/h5,15H,2-4,6-13H2,1H3,(H,16,18)","LBAMACREIZCWSM-UHFFFAOYSA-N"
"2404","CC(=O)NCCOCCOCCNC(=O)CO","[R1]CC(=O)NCCOCCOCCNC(=O)CO[R2]","248.279","248.13722174","-2.09","17","0","5","3","10","96.89","C10H20N2O5","InChI=1S/C10H20N2O5/c1-9(14)11-2-4-16-6-7-17-5-3-12-10(15)8-13/h13H,2-8H2,1H3,(H,11,14)(H,12,15)","HKLIZKDEFQVCMP-UHFFFAOYSA-N"
"2405","O=CCNCC=O","[R1]C(=O)CNCC(=O)[R2]","101.105","101.047678464","-1.14","7","0","3","1","4","46.17","C4H7NO2","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h3-5H,1-2H2","GTTKBWOPWPYBST-UHFFFAOYSA-N"
"2406","O=CCCNCC=O","[R1]C(=O)CCNCC(=O)[R2]","115.132","115.063328528","-1.24","8","0","3","1","5","46.17","C5H9NO2","InChI=1S/C5H9NO2/c7-4-1-2-6-3-5-8/h4-6H,1-3H2","HZZVLDSDQJERQJ-UHFFFAOYSA-N"
"2407","O=CCCCNCC=O","[R1]C(=O)CCCNCC(=O)[R2]","129.159","129.078978592","-0.88","9","0","3","1","6","46.17","C6H11NO2","InChI=1S/C6H11NO2/c8-5-2-1-3-7-4-6-9/h5-7H,1-4H2","DDGNFLMUUMRQQX-UHFFFAOYSA-N"
"2408","O=CCCCCNCC=O","[R1]C(=O)CCCCNCC(=O)[R2]","143.186","143.094628656","-0.53","10","0","3","1","7","46.17","C7H13NO2","InChI=1S/C7H13NO2/c9-6-3-1-2-4-8-5-7-10/h6-8H,1-5H2","IYKJUCGEOVYZFK-UHFFFAOYSA-N"
"2409","O=CCCCCCNCC=O","[R1]C(=O)CCCCCNCC(=O)[R2]","157.213","157.11027872","-0.17","11","0","3","1","8","46.17","C8H15NO2","InChI=1S/C8H15NO2/c10-7-4-2-1-3-5-9-6-8-11/h7-9H,1-6H2","GZOPGGHQXWPKFX-UHFFFAOYSA-N"
"2410","O=CCCCCCCNCC=O","[R1]C(=O)CCCCCCNCC(=O)[R2]","171.24","171.125928784","0.37","12","0","3","1","9","46.17","C9H17NO2","InChI=1S/C9H17NO2/c11-8-5-3-1-2-4-6-10-7-9-12/h8-10H,1-7H2","FCWDRRINYYNHTL-UHFFFAOYSA-N"
"2411","O=CCCCCCCCNCC=O","[R1]C(=O)CCCCCCCNCC(=O)[R2]","185.267","185.141578848","0.91","13","0","3","1","10","46.17","C10H19NO2","InChI=1S/C10H19NO2/c12-9-6-4-2-1-3-5-7-11-8-10-13/h9-11H,1-8H2","AQLBMKDUHQOICH-UHFFFAOYSA-N"
"2412","O=CCCCCCCCCNCC=O","[R1]C(=O)CCCCCCCCNCC(=O)[R2]","199.294","199.157228912","1.46","14","0","3","1","11","46.17","C11H21NO2","InChI=1S/C11H21NO2/c13-10-7-5-3-1-2-4-6-8-12-9-11-14/h10-12H,1-9H2","OOVRTACWELHCMM-UHFFFAOYSA-N"
"2413","O=CCCCCCCCCCNCC=O","[R1]C(=O)CCCCCCCCCNCC(=O)[R2]","213.321","213.172878976","2","15","0","3","1","12","46.17","C12H23NO2","InChI=1S/C12H23NO2/c14-11-8-6-4-2-1-3-5-7-9-13-10-12-15/h11-13H,1-10H2","YENDJQAZIMXKCR-UHFFFAOYSA-N"
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"2415","O=CCCCCCCCCCCCNCC=O","[R1]C(=O)CCCCCCCCCCCNCC(=O)[R2]","241.375","241.204179104","3.08","17","0","3","1","14","46.17","C14H27NO2","InChI=1S/C14H27NO2/c16-13-10-8-6-4-2-1-3-5-7-9-11-15-12-14-17/h13-15H,1-12H2","BCXRGEUXWCMIBH-UHFFFAOYSA-N"
"2416","O=CCCCCCCCCCCCCNCC=O","[R1]C(=O)CCCCCCCCCCCCNCC(=O)[R2]","255.402","255.219829168","3.62","18","0","3","1","15","46.17","C15H29NO2","InChI=1S/C15H29NO2/c17-14-11-9-7-5-3-1-2-4-6-8-10-12-16-13-15-18/h14-16H,1-13H2","BYTPBGORTSWBTR-UHFFFAOYSA-N"
"2417","CC1=CN(CCOCCOCCOCCNC(=O)CO)N=N1","[R1]CC1=CN(N=N1)CCOCCOCCOCCNC(=O)CO[R2]","316.358","316.174669868","-1.76","22","1","8","2","13","107.73","C13H24N4O5","InChI=1S/C13H24N4O5/c1-12-10-17(16-15-12)3-5-21-7-9-22-8-6-20-4-2-14-13(19)11-18/h10,18H,2-9,11H2,1H3,(H,14,19)","KGKSHXSGSDNJEZ-UHFFFAOYSA-N"
"2418","O=CCCCCC1=CN(CCOCCOCCOCCNC(=O)CO)N=N1","[R1]C(=O)CCCCC1=CN(N=N1)CCOCCOCCOCCNC(=O)CO[R2]","386.449","386.21653468","-1.72","27","1","9","2","18","124.8","C17H30N4O6","InChI=1S/C17H30N4O6/c22-7-3-1-2-4-16-14-21(20-19-16)6-9-26-11-13-27-12-10-25-8-5-18-17(24)15-23/h7,14,23H,1-6,8-13,15H2,(H,18,24)","GKPXBVSSFSHTCV-UHFFFAOYSA-N"
"2419","CC(=O)NCCOCCOCCOCCN1C=C(CO)N=N1","[R1]CC(=O)NCCOCCOCCOCCN1C=C(N=N1)CO[R2]","316.358","316.174669868","-2.36","22","1","8","2","13","107.73","C13H24N4O5","InChI=1S/C13H24N4O5/c1-12(19)14-2-4-20-6-8-22-9-7-21-5-3-17-10-13(11-18)15-16-17/h10,18H,2-9,11H2,1H3,(H,14,19)","JSLRGDIVQICXOB-UHFFFAOYSA-N"
"2420","CCCCCOCCCCCOCCCCCC=O","[R1]C(=O)CCCCCOCCCCCOCCCCC[R2]","272.429","272.235144884","3.3","19","0","3","0","16","35.53","C16H32O3","InChI=1S/C16H32O3/c1-2-3-8-13-18-15-10-6-11-16-19-14-9-5-4-7-12-17/h12H,2-11,13-16H2,1H3","GQIFADRETCZLFS-UHFFFAOYSA-N"
"2421","O=CCN1CCNCC1","[R1]C(=O)CN1CCN(CC1)[R2]","128.175","128.094963004","-0.86","9","1","3","1","2","32.34","C6H12N2O","InChI=1S/C6H12N2O/c9-6-5-8-3-1-7-2-4-8/h6-7H,1-5H2","GVFJYCZQRILOMX-UHFFFAOYSA-N"
"2422","O=CCN1CCCCC1","[R1]C(=O)CN1CCC(CC1)[R2]","127.187","127.099714036","0.64","9","1","2","0","2","20.31","C7H13NO","InChI=1S/C7H13NO/c9-7-6-8-4-2-1-3-5-8/h7H,1-6H2","ZMQKVTSIRCJPOE-UHFFFAOYSA-N"
"2423","CCCCOCCOCCOCCNC=O","[R1]C(=O)NCCOCCOCCOCCCC[R2]","233.308","233.162708216","0.95","16","0","4","1","13","56.79","C11H23NO4","InChI=1S/C11H23NO4/c1-2-3-5-14-7-9-16-10-8-15-6-4-12-11-13/h11H,2-10H2,1H3,(H,12,13)","URYJYKDYYHXLIQ-UHFFFAOYSA-N"
"2424","CCCCOCCCCCOCCCCCCNC=O","[R1]C(=O)NCCCCCCOCCCCCOCCCC[R2]","287.444","287.246043916","3.6","20","0","3","1","17","47.56","C16H33NO3","InChI=1S/C16H33NO3/c1-2-3-12-19-14-9-6-10-15-20-13-8-5-4-7-11-17-16-18/h16H,2-15H2,1H3,(H,17,18)","FXHTVHGSYQJZMP-UHFFFAOYSA-N"
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"2433","CCCNC(=O)CCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCC[R2]","249.354","249.172878976","3.19","18","1","2","1","8","38.33","C15H23NO2","InChI=1S/C15H23NO2/c1-3-11-16-15(17)6-5-12-18-14-9-7-13(4-2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,16,17)","NMNBUTIKUWMWTO-UHFFFAOYSA-N"
"2434","CCCNC(=O)CCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCC[R2]","263.381","263.18852904","3.55","19","1","2","1","9","38.33","C16H25NO2","InChI=1S/C16H25NO2/c1-3-12-17-16(18)7-5-6-13-19-15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,17,18)","VDEJBNLREHZPIP-UHFFFAOYSA-N"
"2435","CCCNC(=O)CCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCC[R2]","277.408","277.204179104","3.9","20","1","2","1","10","38.33","C17H27NO2","InChI=1S/C17H27NO2/c1-3-13-18-17(19)8-6-5-7-14-20-16-11-9-15(4-2)10-12-16/h9-12H,3-8,13-14H2,1-2H3,(H,18,19)","FUUQTCLRQOSPNI-UHFFFAOYSA-N"
"2436","CCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCC[R2]","291.435","291.219829168","4.45","21","1","2","1","11","38.33","C18H29NO2","InChI=1S/C18H29NO2/c1-3-14-19-18(20)9-7-5-6-8-15-21-17-12-10-16(4-2)11-13-17/h10-13H,3-9,14-15H2,1-2H3,(H,19,20)","IEJCCPBMSFFTBL-UHFFFAOYSA-N"
"2437","CCCCNC(=O)COC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCC(=O)NCCCC[R2]","235.327","235.157228912","3.29","17","1","2","1","7","38.33","C14H21NO2","InChI=1S/C14H21NO2/c1-3-5-10-15-14(16)11-17-13-8-6-12(4-2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)","LHCUTYBCXIWEPQ-UHFFFAOYSA-N"
"2438","CCCCNC(=O)CCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCCC[R2]","263.381","263.18852904","3.55","19","1","2","1","9","38.33","C16H25NO2","InChI=1S/C16H25NO2/c1-3-5-12-17-16(18)7-6-13-19-15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,17,18)","XSHFNCQAEIEZPG-UHFFFAOYSA-N"
"2439","CCCCNC(=O)CCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCC[R2]","277.408","277.204179104","3.9","20","1","2","1","10","38.33","C17H27NO2","InChI=1S/C17H27NO2/c1-3-5-13-18-17(19)8-6-7-14-20-16-11-9-15(4-2)10-12-16/h9-12H,3-8,13-14H2,1-2H3,(H,18,19)","BNAMWEGQTOVNMV-UHFFFAOYSA-N"
"2440","CCCCNC(=O)CCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCCC[R2]","291.435","291.219829168","4.26","21","1","2","1","11","38.33","C18H29NO2","InChI=1S/C18H29NO2/c1-3-5-14-19-18(20)9-7-6-8-15-21-17-12-10-16(4-2)11-13-17/h10-13H,3-9,14-15H2,1-2H3,(H,19,20)","QFLUAKKURCIBAC-UHFFFAOYSA-N"
"2441","CCCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCCC[R2]","305.462","305.235479232","4.8","22","1","2","1","12","38.33","C19H31NO2","InChI=1S/C19H31NO2/c1-3-5-15-20-19(21)10-8-6-7-9-16-22-18-13-11-17(4-2)12-14-18/h11-14H,3-10,15-16H2,1-2H3,(H,20,21)","SWGQANZAJMOYKU-UHFFFAOYSA-N"
"2442","CCCCCNC(=O)COC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCC(=O)NCCCCC[R2]","249.354","249.172878976","3.83","18","1","2","1","8","38.33","C15H23NO2","InChI=1S/C15H23NO2/c1-3-5-6-11-16-15(17)12-18-14-9-7-13(4-2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,16,17)","FAXRYDUKVDCQBN-UHFFFAOYSA-N"
"2443","CCCCCNC(=O)CCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCCCC[R2]","277.408","277.204179104","4.09","20","1","2","1","10","38.33","C17H27NO2","InChI=1S/C17H27NO2/c1-3-5-6-13-18-17(19)8-7-14-20-16-11-9-15(4-2)10-12-16/h9-12H,3-8,13-14H2,1-2H3,(H,18,19)","VPDIZMSPRNEHSK-UHFFFAOYSA-N"
"2444","CCCCCNC(=O)CCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCC[R2]","291.435","291.219829168","4.45","21","1","2","1","11","38.33","C18H29NO2","InChI=1S/C18H29NO2/c1-3-5-7-14-19-18(20)9-6-8-15-21-17-12-10-16(4-2)11-13-17/h10-13H,3-9,14-15H2,1-2H3,(H,19,20)","KOLDWUOXTOIYTE-UHFFFAOYSA-N"
"2445","CCCCCNC(=O)CCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCCCC[R2]","305.462","305.235479232","4.8","22","1","2","1","12","38.33","C19H31NO2","InChI=1S/C19H31NO2/c1-3-5-8-15-20-19(21)10-7-6-9-16-22-18-13-11-17(4-2)12-14-18/h11-14H,3-10,15-16H2,1-2H3,(H,20,21)","HDPXAWFQLLVWPQ-UHFFFAOYSA-N"
"2446","CCCCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCCCC[R2]","319.489","319.251129296","5.34","23","1","2","1","13","38.33","C20H33NO2","InChI=1S/C20H33NO2/c1-3-5-9-16-21-20(22)11-8-6-7-10-17-23-19-14-12-18(4-2)13-15-19/h12-15H,3-11,16-17H2,1-2H3,(H,21,22)","XRJQMWHVEIKQHO-UHFFFAOYSA-N"
"2447","CCCCCCNC(=O)COC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCC(=O)NCCCCCC[R2]","263.381","263.18852904","4.37","19","1","2","1","9","38.33","C16H25NO2","InChI=1S/C16H25NO2/c1-3-5-6-7-12-17-16(18)13-19-15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,17,18)","SPZYUVUYFCYGDV-UHFFFAOYSA-N"
"2448","CCCCCCNC(=O)CCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCCCCC[R2]","291.435","291.219829168","4.63","21","1","2","1","11","38.33","C18H29NO2","InChI=1S/C18H29NO2/c1-3-5-6-7-14-19-18(20)9-8-15-21-17-12-10-16(4-2)11-13-17/h10-13H,3-9,14-15H2,1-2H3,(H,19,20)","FPMQCEATOQBMJX-UHFFFAOYSA-N"
"2449","CCCCCCNC(=O)CCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCCC[R2]","305.462","305.235479232","4.99","22","1","2","1","12","38.33","C19H31NO2","InChI=1S/C19H31NO2/c1-3-5-6-8-15-20-19(21)10-7-9-16-22-18-13-11-17(4-2)12-14-18/h11-14H,3-10,15-16H2,1-2H3,(H,20,21)","DWOKTOABSOKEIJ-UHFFFAOYSA-N"
"2450","CCCCCCNC(=O)CCCCCOC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCCCCC[R2]","319.489","319.251129296","5.34","23","1","2","1","13","38.33","C20H33NO2","InChI=1S/C20H33NO2/c1-3-5-6-9-16-21-20(22)11-8-7-10-17-23-19-14-12-18(4-2)13-15-19/h12-15H,3-11,16-17H2,1-2H3,(H,21,22)","WAHMTVPWKFOVHU-UHFFFAOYSA-N"
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"2452","CCC1=CC=C(OCCCCC(=O)N2CCNCC2)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCN(CC2)[R2]","290.407","290.199428072","2.18","21","2","3","1","7","41.57","C17H26N2O2","InChI=1S/C17H26N2O2/c1-2-15-6-8-16(9-7-15)21-14-4-3-5-17(20)19-12-10-18-11-13-19/h6-9,18H,2-5,10-14H2,1H3","KAALETNYRFSUEP-UHFFFAOYSA-N"
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"2461","CCC1=CC=C(OCCCCC(=O)NCCCCCCN)C=C1","[R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCCCN[R2]","320.477","320.246378264","3.14","23","1","3","2","13","64.35","C19H32N2O2","InChI=1S/C19H32N2O2/c1-2-17-10-12-18(13-11-17)23-16-8-5-9-19(22)21-15-7-4-3-6-14-20/h10-13H,2-9,14-16,20H2,1H3,(H,21,22)","SVCVBVMXHQPYHY-UHFFFAOYSA-N"
"2462","CCOCCOCCOCCOCCOCCOC1=CC=CC(C)=C1","[R1]CC1=CC(=CC=C1)OCCOCCOCCOCCOCCOCC[R2]","356.459","356.219888744","1.89","25","1","6","0","17","55.38","C19H32O6","InChI=1S/C19H32O6/c1-3-20-7-8-21-9-10-22-11-12-23-13-14-24-15-16-25-19-6-4-5-18(2)17-19/h4-6,17H,3,7-16H2,1-2H3","QBWNPPNJOTWLNE-UHFFFAOYSA-N"
"2463","CCCCCCCCCCCCC","[R1]CCCCCCCCCCCCC[R2]","184.367","184.219100896","7.26","13","0","0","0","10","0","C13H28","InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3","IIYFAKIEWZDVMP-UHFFFAOYSA-N"
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"2552","CCCNC(=O)/C=C/C(N)=O","[R1]NC(=O)/C=C/C(=O)NCCC[R2]","156.185","156.089877624","-0.45","11","0","2","2","4","72.19","C7H12N2O2","InChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h3-4H,2,5H2,1H3,(H2,8,10)(H,9,11)/b4-3+","YUHYTUFFFYFSPF-ONEGZZNKSA-N"
"2553","CCCCNC(=O)/C=C/C(N)=O","[R1]NC(=O)/C=C/C(=O)NCCCC[R2]","170.212","170.105527688","-0.09","12","0","2","2","5","72.19","C8H14N2O2","InChI=1S/C8H14N2O2/c1-2-3-6-10-8(12)5-4-7(9)11/h4-5H,2-3,6H2,1H3,(H2,9,11)(H,10,12)/b5-4+","YIEYZLFLWMYCAS-SNAWJCMRSA-N"
"2554","CCCCCNC(=O)/C=C/C(N)=O","[R1]NC(=O)/C=C/C(=O)NCCCCC[R2]","184.239","184.121177752","0.45","13","0","2","2","6","72.19","C9H16N2O2","InChI=1S/C9H16N2O2/c1-2-3-4-7-11-9(13)6-5-8(10)12/h5-6H,2-4,7H2,1H3,(H2,10,12)(H,11,13)/b6-5+","JYZBFAMUAFIQTM-AATRIKPKSA-N"
"2555","CCCCCCNC(=O)/C=C/C(N)=O","[R1]NC(=O)/C=C/C(=O)NCCCCCC[R2]","198.266","198.136827816","0.99","14","0","2","2","7","72.19","C10H18N2O2","InChI=1S/C10H18N2O2/c1-2-3-4-5-8-12-10(14)7-6-9(11)13/h6-7H,2-5,8H2,1H3,(H2,11,13)(H,12,14)/b7-6+","URLVICRNTDKOAU-VOTSOKGWSA-N"
"2556","CCOCCOCCNC(=O)/C=C/C(N)=O","[R1]NC(=O)/C=C/C(=O)NCCOCCOCC[R2]","230.264","230.126657056","-1.27","16","0","4","2","9","90.65","C10H18N2O4","InChI=1S/C10H18N2O4/c1-2-15-7-8-16-6-5-12-10(14)4-3-9(11)13/h3-4H,2,5-8H2,1H3,(H2,11,13)(H,12,14)/b4-3+","NBLAYAARNVAVFW-ONEGZZNKSA-N"
"2557","CC(=O)NCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCNC(=O)C[R2]","228.296","228.15862588","-1.73","16","1","4","3","5","73.47","C10H20N4O2","InChI=1S/C10H20N4O2/c1-9(15)12-2-3-13-10(16)8-14-6-4-11-5-7-14/h11H,2-8H2,1H3,(H,12,15)(H,13,16)","HPZDSXCXLMEZFP-UHFFFAOYSA-N"
"2558","CC(=O)NCCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCCNC(=O)C[R2]","242.323","242.174275944","-1.37","17","1","4","3","6","73.47","C11H22N4O2","InChI=1S/C11H22N4O2/c1-10(16)13-3-2-4-14-11(17)9-15-7-5-12-6-8-15/h12H,2-9H2,1H3,(H,13,16)(H,14,17)","IQDJJDNLKTVFDZ-UHFFFAOYSA-N"
"2559","CC(=O)NCCCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCCCNC(=O)C[R2]","256.35","256.189926008","-1.02","18","1","4","3","7","73.47","C12H24N4O2","InChI=1S/C12H24N4O2/c1-11(17)14-4-2-3-5-15-12(18)10-16-8-6-13-7-9-16/h13H,2-10H2,1H3,(H,14,17)(H,15,18)","SKDUWCLZPIDRDY-UHFFFAOYSA-N"
"2560","CC(=O)NCCCCCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCCCCCNC(=O)C[R2]","284.404","284.221226136","-0.3","20","1","4","3","9","73.47","C14H28N4O2","InChI=1S/C14H28N4O2/c1-13(19)16-6-4-2-3-5-7-17-14(20)12-18-10-8-15-9-11-18/h15H,2-12H2,1H3,(H,16,19)(H,17,20)","BPDXDMYAMMIOAK-UHFFFAOYSA-N"
"2561","CC(=O)NCCOCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCOCCNC(=O)C[R2]","272.349","272.184840628","-1.88","19","1","5","3","8","82.7","C12H24N4O3","InChI=1S/C12H24N4O3/c1-11(17)14-4-8-19-9-5-15-12(18)10-16-6-2-13-3-7-16/h13H,2-10H2,1H3,(H,14,17)(H,15,18)","CXSLHTVVTBJRCN-UHFFFAOYSA-N"
"2562","CC(=O)NCCOCCOCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCOCCOCCNC(=O)C[R2]","316.402","316.211055376","-2.03","22","1","6","3","11","91.93","C14H28N4O4","InChI=1S/C14H28N4O4/c1-13(19)16-4-8-21-10-11-22-9-5-17-14(20)12-18-6-2-15-3-7-18/h15H,2-12H2,1H3,(H,16,19)(H,17,20)","WRWSRRYXOTZQLO-UHFFFAOYSA-N"
"2563","CC(=O)NCCOCCOCCOCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCOCCOCCOCCNC(=O)C[R2]","360.455","360.237270124","-2.17","25","1","7","3","14","101.16","C16H32N4O5","InChI=1S/C16H32N4O5/c1-15(21)18-4-8-23-10-12-25-13-11-24-9-5-19-16(22)14-20-6-2-17-3-7-20/h17H,2-14H2,1H3,(H,18,21)(H,19,22)","HHOIRNZFSWHSAW-UHFFFAOYSA-N"
"2564","CC(=O)NCCOCCOCCOCCOCCNC(=O)CN1CCNCC1","[R1]N1CCN(CC1)CC(=O)NCCOCCOCCOCCOCCNC(=O)C[R2]","404.508","404.263484872","-2.32","28","1","8","3","17","110.39","C18H36N4O6","InChI=1S/C18H36N4O6/c1-17(23)20-4-8-25-10-12-27-14-15-28-13-11-26-9-5-21-18(24)16-22-6-2-19-3-7-22/h19H,2-16H2,1H3,(H,20,23)(H,21,24)","YHUSKBGZKUIFLO-UHFFFAOYSA-N"
"2565","CC(=O)NCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCNC(=O)C[R2]","270.333","270.169190564","-2.44","19","1","4","3","6","90.54","C12H22N4O3","InChI=1S/C12H22N4O3/c1-10(17)14-4-5-15-11(18)2-3-12(19)16-8-6-13-7-9-16/h13H,2-9H2,1H3,(H,14,17)(H,15,18)","DVJVIJOAGLASOQ-UHFFFAOYSA-N"
"2566","CC(=O)NCCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCCNC(=O)C[R2]","284.36","284.184840628","-2.08","20","1","4","3","7","90.54","C13H24N4O3","InChI=1S/C13H24N4O3/c1-11(18)15-5-2-6-16-12(19)3-4-13(20)17-9-7-14-8-10-17/h14H,2-10H2,1H3,(H,15,18)(H,16,19)","YTLCCYDQQUYUQR-UHFFFAOYSA-N"
"2567","CC(=O)NCCCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCNC(=O)C[R2]","298.387","298.200490692","-1.72","21","1","4","3","8","90.54","C14H26N4O3","InChI=1S/C14H26N4O3/c1-12(19)16-6-2-3-7-17-13(20)4-5-14(21)18-10-8-15-9-11-18/h15H,2-11H2,1H3,(H,16,19)(H,17,20)","XQLVSADELUACEF-UHFFFAOYSA-N"
"2568","CC(=O)NCCCCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCCNC(=O)C[R2]","312.414","312.216140756","-1.36","22","1","4","3","9","90.54","C15H28N4O3","InChI=1S/C15H28N4O3/c1-13(20)17-7-3-2-4-8-18-14(21)5-6-15(22)19-11-9-16-10-12-19/h16H,2-12H2,1H3,(H,17,20)(H,18,21)","ALPZIHLAQLZNEQ-UHFFFAOYSA-N"
"2569","CC(=O)NCCCCCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCCCNC(=O)C[R2]","326.441","326.23179082","-1.01","23","1","4","3","10","90.54","C16H30N4O3","InChI=1S/C16H30N4O3/c1-14(21)18-8-4-2-3-5-9-19-15(22)6-7-16(23)20-12-10-17-11-13-20/h17H,2-13H2,1H3,(H,18,21)(H,19,22)","YVIIWPKVXAOGKH-UHFFFAOYSA-N"
"2570","CC(=O)NCCCCCCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCCCCNC(=O)C[R2]","340.468","340.247440884","-0.47","24","1","4","3","11","90.54","C17H32N4O3","InChI=1S/C17H32N4O3/c1-15(22)19-9-5-3-2-4-6-10-20-16(23)7-8-17(24)21-13-11-18-12-14-21/h18H,2-14H2,1H3,(H,19,22)(H,20,23)","WBECYEYKDGFYPO-UHFFFAOYSA-N"
"2571","CC(=O)NCCOCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCNC(=O)C[R2]","314.386","314.195405312","-2.58","22","1","5","3","9","99.77","C14H26N4O4","InChI=1S/C14H26N4O4/c1-12(19)16-6-10-22-11-7-17-13(20)2-3-14(21)18-8-4-15-5-9-18/h15H,2-11H2,1H3,(H,16,19)(H,17,20)","TUPJFGZGRSVURT-UHFFFAOYSA-N"
"2572","CC(=O)NCCOCCOCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCOCCNC(=O)C[R2]","358.439","358.22162006","-2.73","25","1","6","3","12","109","C16H30N4O5","InChI=1S/C16H30N4O5/c1-14(21)18-6-10-24-12-13-25-11-7-19-15(22)2-3-16(23)20-8-4-17-5-9-20/h17H,2-13H2,1H3,(H,18,21)(H,19,22)","CUJQMKKMRUWOIW-UHFFFAOYSA-N"
"2573","CC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)C[R2]","402.492","402.247834808","-2.88","28","1","7","3","15","118.23","C18H34N4O6","InChI=1S/C18H34N4O6/c1-16(23)20-6-10-26-12-14-28-15-13-27-11-7-21-17(24)2-3-18(25)22-8-4-19-5-9-22/h19H,2-15H2,1H3,(H,20,23)(H,21,24)","DFOCDAAARKOHFE-UHFFFAOYSA-N"
"2574","CC(=O)NCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCOCCOCCOCCNC(=O)C[R2]","446.545","446.274049556","-3.03","31","1","8","3","18","127.46","C20H38N4O7","InChI=1S/C20H38N4O7/c1-18(25)22-6-10-28-12-14-30-16-17-31-15-13-29-11-7-23-19(26)2-3-20(27)24-8-4-21-5-9-24/h21H,2-17H2,1H3,(H,22,25)(H,23,26)","XEANQJGNESWZAB-UHFFFAOYSA-N"
"2575","CC(=O)NCCOCCN1C=C(CCCCC(=O)N2CCNCC2)N=N1","[R1]N1CCN(CC1)C(=O)CCCCC2=CN(N=N2)CCOCCNC(=O)C[R2]","366.466","366.23793882","-1.42","26","2","7","2","11","101.38","C17H30N6O3","InChI=1S/C17H30N6O3/c1-15(24)19-8-12-26-13-11-23-14-16(20-21-23)4-2-3-5-17(25)22-9-6-18-7-10-22/h14,18H,2-13H2,1H3,(H,19,24)","IHIFWWPZBCWEPC-UHFFFAOYSA-N"
"2576","CC(=O)NCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CNC(=O)C[R2]","185.227","185.11642672","-1.59","13","1","3","2","2","61.44","C8H15N3O2","InChI=1S/C8H15N3O2/c1-7(12)10-6-8(13)11-4-2-9-3-5-11/h9H,2-6H2,1H3,(H,10,12)","WVMORXAPMVRMGZ-UHFFFAOYSA-N"
"2577","CC(=O)NCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCNC(=O)C[R2]","199.254","199.132076784","-1.68","14","1","3","2","3","61.44","C9H17N3O2","InChI=1S/C9H17N3O2/c1-8(13)11-3-2-9(14)12-6-4-10-5-7-12/h10H,2-7H2,1H3,(H,11,13)","ZRGYCHKJCRPMLA-UHFFFAOYSA-N"
"2578","CC(=O)NCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCNC(=O)C[R2]","213.281","213.147726848","-1.33","15","1","3","2","4","61.44","C10H19N3O2","InChI=1S/C10H19N3O2/c1-9(14)12-4-2-3-10(15)13-7-5-11-6-8-13/h11H,2-8H2,1H3,(H,12,14)","IXKYKJFAVNIAPO-UHFFFAOYSA-N"
"2579","CC(=O)NCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCNC(=O)C[R2]","227.308","227.163376912","-0.97","16","1","3","2","5","61.44","C11H21N3O2","InChI=1S/C11H21N3O2/c1-10(15)13-5-3-2-4-11(16)14-8-6-12-7-9-14/h12H,2-9H2,1H3,(H,13,15)","MWTAVCPUCYKSRB-UHFFFAOYSA-N"
"2580","CC(=O)NCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCNC(=O)C[R2]","241.335","241.179026976","-0.61","17","1","3","2","6","61.44","C12H23N3O2","InChI=1S/C12H23N3O2/c1-11(16)14-6-4-2-3-5-12(17)15-9-7-13-8-10-15/h13H,2-10H2,1H3,(H,14,16)","GWICTKUYMCNEBR-UHFFFAOYSA-N"
"2581","CC(=O)NCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCNC(=O)C[R2]","255.362","255.19467704","-0.07","18","1","3","2","7","61.44","C13H25N3O2","InChI=1S/C13H25N3O2/c1-12(17)15-7-5-3-2-4-6-13(18)16-10-8-14-9-11-16/h14H,2-11H2,1H3,(H,15,17)","BUGHUBJNHPURNP-UHFFFAOYSA-N"
"2582","CC(=O)NCCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCCNC(=O)C[R2]","269.389","269.210327104","0.47","19","1","3","2","8","61.44","C14H27N3O2","InChI=1S/C14H27N3O2/c1-13(18)16-8-6-4-2-3-5-7-14(19)17-11-9-15-10-12-17/h15H,2-12H2,1H3,(H,16,18)","SZEAEJTTWDBBJG-UHFFFAOYSA-N"
"2583","CC(=O)NCCCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCCCNC(=O)C[R2]","283.416","283.225977168","1.01","20","1","3","2","9","61.44","C15H29N3O2","InChI=1S/C15H29N3O2/c1-14(19)17-9-7-5-3-2-4-6-8-15(20)18-12-10-16-11-13-18/h16H,2-13H2,1H3,(H,17,19)","KTLUXSVBMKVLPA-UHFFFAOYSA-N"
"2584","CC(=O)NCCCCCCCCCC(=O)N1CCNCC1","[R1]N1CCN(CC1)C(=O)CCCCCCCCCNC(=O)C[R2]","297.443","297.241627232","1.55","21","1","3","2","10","61.44","C16H31N3O2","InChI=1S/C16H31N3O2/c1-15(20)18-10-8-6-4-2-3-5-7-9-16(21)19-13-11-17-12-14-19/h17H,2-14H2,1H3,(H,18,20)","SLKQMGMBVWZANY-UHFFFAOYSA-N"
"2585","CCN1CCN(CC)CC1","[R1]CCN1CCN(CC1)CC[R2]","142.246","142.146998576","0.81","10","1","2","0","2","6.48","C8H18N2","InChI=1S/C8H18N2/c1-3-9-5-7-10(4-2)8-6-9/h3-8H2,1-2H3","DDPRYTUJYNYJKV-UHFFFAOYSA-N"
"2586","CC1=CN(C)N=N1","[R1]CC1=CN(N=N1)C[R2]","97.121","97.063997224","0.09","7","1","3","0","0","30.71","C4H7N3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","OJAWOLWHEQUTDE-UHFFFAOYSA-N"
"2587","CC(=O)OCCCO","[R1]OCCCOC(=O)C[R2]","118.132","118.06299418","-0.21","8","0","3","1","3","46.53","C5H10O3","InChI=1S/C5H10O3/c1-5(7)8-4-2-3-6/h6H,2-4H2,1H3","DOUBAFNWVFAWEC-UHFFFAOYSA-N"
"2588","CC(=O)OCCCCO","[R1]OCCCCOC(=O)C[R2]","132.159","132.078644244","0.15","9","0","3","1","4","46.53","C6H12O3","InChI=1S/C6H12O3/c1-6(8)9-5-3-2-4-7/h7H,2-5H2,1H3","FLVQOAUAIBIIGO-UHFFFAOYSA-N"
"2589","CC(=O)OCCCCCO","[R1]OCCCCCOC(=O)C[R2]","146.186","146.094294308","0.5","10","0","3","1","5","46.53","C7H14O3","InChI=1S/C7H14O3/c1-7(9)10-6-4-2-3-5-8/h8H,2-6H2,1H3","ZUJLCFCFAVKCNH-UHFFFAOYSA-N"
"2590","CC(=O)OCCCCCCO","[R1]OCCCCCCOC(=O)C[R2]","160.213","160.109944372","0.86","11","0","3","1","6","46.53","C8H16O3","InChI=1S/C8H16O3/c1-8(10)11-7-5-3-2-4-6-9/h9H,2-7H2,1H3","DGUKYCANAXQEMH-UHFFFAOYSA-N"
"2591","NCCCCCCCCCCN","[R1]NCCCCCCCCCCN[R2]","172.316","172.193948768","1.94","12","0","2","2","9","52.04","C10H24N2","InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2","YQLZOAVZWJBZSY-UHFFFAOYSA-N"
"2592","NCCOCCN","[R1]NCCOCCN[R2]","104.153","104.094963004","-1.8","7","0","3","2","4","61.27","C4H12N2O","InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2","GXVUZYLYWKWJIM-UHFFFAOYSA-N"
"2593","NCC1CCNCC1","[R1]NCC1CCN(CC1)[R2]","114.192","114.115698448","-0.4","8","1","2","2","1","38.05","C6H14N2","InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2","LTEKQAPRXFBRNN-UHFFFAOYSA-N"
"2594","C1CC2(CCN1)CCNCC2","[R1]N1CCC2(CC1)CCN(CC2)[R2]","154.257","154.146998576","0.46","11","2","2","2","0","24.06","C9H18N2","InChI=1S/C9H18N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10-11H,1-8H2","YNKVCLQNSSTHTD-UHFFFAOYSA-N"
"2595","CNC1=CC=C(N2CCC(CN)CC2)C=C1","[R1]NCC1CCN(CC1)C2=CC=C(C=C2)N([R2])C","219.332","219.173547672","1.83","16","2","3","2","3","41.29","C13H21N3","InChI=1S/C13H21N3/c1-15-12-2-4-13(5-3-12)16-8-6-11(10-14)7-9-16/h2-5,11,15H,6-10,14H2,1H3","WSUZVIMKOAHCDB-UHFFFAOYSA-N"
"2596","NCC(=O)NCCCCCCCC(N)=O","[R1]NC(=O)CCCCCCCNC(=O)CN[R2]","215.297","215.163376912","-0.37","15","0","3","3","9","98.21","C10H21N3O2","InChI=1S/C10H21N3O2/c11-8-10(15)13-7-5-3-1-2-4-6-9(12)14/h1-8,11H2,(H2,12,14)(H,13,15)","WVPQDRMPHVGPJP-UHFFFAOYSA-N"
"2597","C#CCCCC(=O)NCCC","[R1]CCCNC(=O)CCCC#C[R2]","153.225","153.1153641","1.3","11","0","1","1","5","29.1","C9H15NO","InChI=1S/C9H15NO/c1-3-5-6-7-9(11)10-8-4-2/h1H,4-8H2,2H3,(H,10,11)","AJTWZVAHQKHQKP-UHFFFAOYSA-N"
"2598","C#CCCCCC(=O)NCCC","[R1]CCCNC(=O)CCCCC#C[R2]","167.252","167.131014164","1.84","12","0","1","1","6","29.1","C10H17NO","InChI=1S/C10H17NO/c1-3-5-6-7-8-10(12)11-9-4-2/h1H,4-9H2,2H3,(H,11,12)","BSFLCIOEMJEUNF-UHFFFAOYSA-N"
"2599","C#CCCCCCC(=O)NCCC","[R1]CCCNC(=O)CCCCCC#C[R2]","181.279","181.146664228","2.38","13","0","1","1","7","29.1","C11H19NO","InChI=1S/C11H19NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h1H,4-10H2,2H3,(H,12,13)","NVSRBEZXWKDAOD-UHFFFAOYSA-N"
"2600","C#CCCCCCCC(=O)NCCC","[R1]CCCNC(=O)CCCCCCC#C[R2]","195.306","195.162314292","2.93","14","0","1","1","8","29.1","C12H21NO","InChI=1S/C12H21NO/c1-3-5-6-7-8-9-10-12(14)13-11-4-2/h1H,4-11H2,2H3,(H,13,14)","WLJVNDZHZAHKMX-UHFFFAOYSA-N"
"2601","C#CCCCCCCCC(=O)NCCC","[R1]CCCNC(=O)CCCCCCCC#C[R2]","209.333","209.177964356","3.47","15","0","1","1","9","29.1","C13H23NO","InChI=1S/C13H23NO/c1-3-5-6-7-8-9-10-11-13(15)14-12-4-2/h1H,4-12H2,2H3,(H,14,15)","JTDKVGROJVSGAN-UHFFFAOYSA-N"
"2602","CCOCCOCCOCCOC1=CC=C(N)C=C1","[R1]NC1=CC=C(C=C1)OCCOCCOCCOCC[R2]","269.341","269.162708216","1.14","19","1","5","1","11","62.94","C14H23NO4","InChI=1S/C14H23NO4/c1-2-16-7-8-17-9-10-18-11-12-19-14-5-3-13(15)4-6-14/h3-6H,2,7-12,15H2,1H3","JZAUVYYVBKUILV-UHFFFAOYSA-N"
"2603","CC1CCN(CC2CNC2)CC1","[R1]CC1CCN(CC1)CC2CN(C2)[R2]","168.284","168.16264864","1.15","12","2","2","1","2","15.27","C10H20N2","InChI=1S/C10H20N2/c1-9-2-4-12(5-3-9)8-10-6-11-7-10/h9-11H,2-8H2,1H3","DUPRYRJACTVRRN-UHFFFAOYSA-N"
"2604","CC1CCN(CC2CCNC2)CC1","[R1]CC1CCN(CC1)CC2CCN(C2)[R2]","182.311","182.178298704","1.5","13","2","2","1","2","15.27","C11H22N2","InChI=1S/C11H22N2/c1-10-3-6-13(7-4-10)9-11-2-5-12-8-11/h10-12H,2-9H2,1H3","FNFHULJBRGAFAP-UHFFFAOYSA-N"
"2605","CCC1CCN(CC2CNC2)CC1","[R1]CCC1CCN(CC1)CC2CN(C2)[R2]","182.311","182.178298704","1.69","13","2","2","1","3","15.27","C11H22N2","InChI=1S/C11H22N2/c1-2-10-3-5-13(6-4-10)9-11-7-12-8-11/h10-12H,2-9H2,1H3","XZDFYSNCBKKHCP-UHFFFAOYSA-N"
"2606","CCC1CCN(CC2CCNC2)CC1","[R1]CCC1CCN(CC1)CC2CCN(C2)[R2]","196.338","196.193948768","2.05","14","2","2","1","3","15.27","C12H24N2","InChI=1S/C12H24N2/c1-2-11-4-7-14(8-5-11)10-12-3-6-13-9-12/h11-13H,2-10H2,1H3","PUTBLHONNHMXLU-UHFFFAOYSA-N"
"2607","CCC1CCN(CCC2CCNCC2)CC1","[R1]CCC1CCN(CC1)CCC2CCN(CC2)[R2]","224.392","224.225248896","2.76","16","2","2","1","4","15.27","C14H28N2","InChI=1S/C14H28N2/c1-2-13-5-10-16(11-6-13)12-7-14-3-8-15-9-4-14/h13-15H,2-12H2,1H3","QBNLOYSRYBLXQT-UHFFFAOYSA-N"
"2608","CC1CCN(CC2CCN(CC3CNC3)CC2)CC1","[R1]CC1CCN(CC1)CC2CCN(CC2)CC3CN(C3)[R2]","265.445","265.251797992","1.93","19","3","3","1","4","18.51","C16H31N3","InChI=1S/C16H31N3/c1-14-2-6-18(7-3-14)12-15-4-8-19(9-5-15)13-16-10-17-11-16/h14-17H,2-13H2,1H3","ZUSFLWJHIYGYOO-UHFFFAOYSA-N"
"2609","CN1C=CC=N1","[R1]C1=CN(N=C1)C[R2]","82.106","82.053098192","0.23","6","1","2","0","0","17.82","C4H6N2","InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3","UQFQONCQIQEYPJ-UHFFFAOYSA-N"
"2610","CNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NC[R2]","139.158","139.074561908","-0.32","10","1","3","1","2","46.92","C6H9N3O","InChI=1S/C6H9N3O/c1-7-6(10)5-9-4-2-3-8-9/h2-4H,5H2,1H3,(H,7,10)","GZKCWCWPBQXSLS-UHFFFAOYSA-N"
"2611","CCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCC[R2]","153.185","153.090211972","0.05","11","1","3","1","3","46.92","C7H11N3O","InChI=1S/C7H11N3O/c1-2-8-7(11)6-10-5-3-4-9-10/h3-5H,2,6H2,1H3,(H,8,11)","LBRPJHOKKFSZJS-UHFFFAOYSA-N"
"2612","CCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCC[R2]","167.212","167.105862036","0.57","12","1","3","1","4","46.92","C8H13N3O","InChI=1S/C8H13N3O/c1-2-4-9-8(12)7-11-6-3-5-10-11/h3,5-6H,2,4,7H2,1H3,(H,9,12)","OFRSVHKNMSRIOJ-UHFFFAOYSA-N"
"2613","CCCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCCC[R2]","181.239","181.1215121","0.93","13","1","3","1","5","46.92","C9H15N3O","InChI=1S/C9H15N3O/c1-2-3-5-10-9(13)8-12-7-4-6-11-12/h4,6-7H,2-3,5,8H2,1H3,(H,10,13)","OQWDDZAMNWBCOV-UHFFFAOYSA-N"
"2614","CCCCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCCCC[R2]","195.266","195.137162164","1.47","14","1","3","1","6","46.92","C10H17N3O","InChI=1S/C10H17N3O/c1-2-3-4-6-11-10(14)9-13-8-5-7-12-13/h5,7-8H,2-4,6,9H2,1H3,(H,11,14)","DEKBNPWKVKDOAG-UHFFFAOYSA-N"
"2615","CCCCCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCCCCC[R2]","209.293","209.152812228","2.01","15","1","3","1","7","46.92","C11H19N3O","InChI=1S/C11H19N3O/c1-2-3-4-5-7-12-11(15)10-14-9-6-8-13-14/h6,8-9H,2-5,7,10H2,1H3,(H,12,15)","PUTBDTVINHPJOA-UHFFFAOYSA-N"
"2616","CCCCCCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCCCCCC[R2]","223.32","223.168462292","2.55","16","1","3","1","8","46.92","C12H21N3O","InChI=1S/C12H21N3O/c1-2-3-4-5-6-8-13-12(16)11-15-10-7-9-14-15/h7,9-10H,2-6,8,11H2,1H3,(H,13,16)","YLPAJPGVKICCHT-UHFFFAOYSA-N"
"2617","CCCCCCCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCCCCCCC[R2]","237.347","237.184112356","3.1","17","1","3","1","9","46.92","C13H23N3O","InChI=1S/C13H23N3O/c1-2-3-4-5-6-7-9-14-13(17)12-16-11-8-10-15-16/h8,10-11H,2-7,9,12H2,1H3,(H,14,17)","IEPVMVJIPOTFFS-UHFFFAOYSA-N"
"2618","CCCCCCCCCCNC(=O)CN1C=CC=N1","[R1]C1=CN(N=C1)CC(=O)NCCCCCCCCCC[R2]","265.401","265.215412484","4.18","19","1","3","1","11","46.92","C15H27N3O","InChI=1S/C15H27N3O/c1-2-3-4-5-6-7-8-9-11-16-15(19)14-18-13-10-12-17-18/h10,12-13H,2-9,11,14H2,1H3,(H,16,19)","HRUVDVQFDARNKA-UHFFFAOYSA-N"
"2619","O=C(CN1C=CC=N1)NCCCN1C=CN=N1","[R1]C1=CN(N=C1)CC(=O)NCCCN2C=C(N=N2)[R2]","234.263","234.122909068","-0.57","17","2","6","1","6","77.63","C10H14N6O","InChI=1S/C10H14N6O/c17-10(9-16-7-2-4-13-16)11-3-1-6-15-8-5-12-14-15/h2,4-5,7-8H,1,3,6,9H2,(H,11,17)","SOLONPZPIDGIEP-UHFFFAOYSA-N"
"2620","CNC1CCN(C(=O)CN2C=CC=N2)CC1","[R1]C1=CN(N=C1)CC(=O)N2CCC(CC2)NC[R2]","222.292","222.148061196","-0.01","16","2","4","1","3","50.16","C11H18N4O","InChI=1S/C11H18N4O/c1-12-10-3-7-14(8-4-10)11(16)9-15-6-2-5-13-15/h2,5-6,10,12H,3-4,7-9H2,1H3","WYCALVHTSKJQKF-UHFFFAOYSA-N"
"2621","CCNC1CCN(C(=O)CN2C=CC=N2)CC1","[R1]C1=CN(N=C1)CC(=O)N2CCC(CC2)NCC[R2]","236.319","236.16371126","0.35","17","2","4","1","4","50.16","C12H20N4O","InChI=1S/C12H20N4O/c1-2-13-11-4-8-15(9-5-11)12(17)10-16-7-3-6-14-16/h3,6-7,11,13H,2,4-5,8-10H2,1H3","UKHUKOFDLULABR-UHFFFAOYSA-N"
"2622","NCCC=O","[R1]NCCC(=O)[R2]","73.095","73.052763844","-1.28","5","0","2","1","2","43.09","C3H7NO","InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2","PCXDJQZLDDHMGX-UHFFFAOYSA-N"
"2623","CCCCCCCC(=O)NCCC","[R1]CCCNC(=O)CCCCCCC[R2]","185.311","185.177964356","3.43","13","0","1","1","8","29.1","C11H23NO","InChI=1S/C11H23NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h3-10H2,1-2H3,(H,12,13)","TYXIGPSABQDMPJ-UHFFFAOYSA-N"
"2624","CCCCCCCCC(=O)NCCC","[R1]CCCNC(=O)CCCCCCCC[R2]","199.338","199.19361442","3.97","14","0","1","1","9","29.1","C12H25NO","InChI=1S/C12H25NO/c1-3-5-6-7-8-9-10-12(14)13-11-4-2/h3-11H2,1-2H3,(H,13,14)","JFTVGUJDAFKJNT-UHFFFAOYSA-N"
"2625","CCCCCCCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)CCCCCCC[R2]","272.392","272.188863388","3.85","20","1","2","1","8","41.99","C17H24N2O","InChI=1S/C17H24N2O/c1-2-3-4-5-6-13-17(20)19-15-10-8-12-16-11-7-9-14-18-16/h7,9,11,14H,2-6,10,13,15H2,1H3,(H,19,20)","WMOKGOGYUOMHMC-UHFFFAOYSA-N"
"2626","CCCCCCCCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)CCCCCCCC[R2]","286.419","286.204513452","4.39","21","1","2","1","9","41.99","C18H26N2O","InChI=1S/C18H26N2O/c1-2-3-4-5-6-7-14-18(21)20-16-11-9-13-17-12-8-10-15-19-17/h8,10,12,15H,2-7,11,14,16H2,1H3,(H,20,21)","HJBPAAOHHJQARI-UHFFFAOYSA-N"
"2627","CCCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)CCC[R2]","216.284","216.126263132","1.68","16","1","2","1","4","41.99","C13H16N2O","InChI=1S/C13H16N2O/c1-2-7-13(16)15-11-6-4-9-12-8-3-5-10-14-12/h3,5,8,10H,2,6-7,11H2,1H3,(H,15,16)","FEFCDZGFMXAWLO-UHFFFAOYSA-N"
"2628","CCCCCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)CCCCC[R2]","244.338","244.15756326","2.77","18","1","2","1","6","41.99","C15H20N2O","InChI=1S/C15H20N2O/c1-2-3-4-11-15(18)17-13-8-6-10-14-9-5-7-12-16-14/h5,7,9,12H,2-4,8,11,13H2,1H3,(H,17,18)","CLTOUOLBVZPGLU-UHFFFAOYSA-N"
"2629","CCCCCCCCCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)CCCCCCCCC[R2]","300.446","300.220163516","4.93","22","1","2","1","10","41.99","C19H28N2O","InChI=1S/C19H28N2O/c1-2-3-4-5-6-7-8-15-19(22)21-17-12-10-14-18-13-9-11-16-20-18/h9,11,13,16H,2-8,12,15,17H2,1H3,(H,21,22)","ZSCPNIKJDSOHOQ-UHFFFAOYSA-N"
"2630","CCCCCCCCCCCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)CCCCCCCCCCC[R2]","328.5","328.251463644","6.02","24","1","2","1","12","41.99","C21H32N2O","InChI=1S/C21H32N2O/c1-2-3-4-5-6-7-8-9-10-17-21(24)23-19-14-12-16-20-15-11-13-18-22-20/h11,13,15,18H,2-10,14,17,19H2,1H3,(H,23,24)","KQIJOGAMIXKGPQ-UHFFFAOYSA-N"
"2631","CCOCCOCCOCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)COCCOCCOCC[R2]","320.389","320.173607248","0.81","23","1","5","1","11","69.68","C17H24N2O4","InChI=1S/C17H24N2O4/c1-2-21-11-12-22-13-14-23-15-17(20)19-10-6-4-8-16-7-3-5-9-18-16/h3,5,7,9H,2,6,10-15H2,1H3,(H,19,20)","VNHBNIZOUJNMLN-UHFFFAOYSA-N"
"2632","CCOCCOCCOCCOCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)COCCOCCOCCOCC[R2]","364.442","364.199821996","0.66","26","1","6","1","14","78.91","C19H28N2O5","InChI=1S/C19H28N2O5/c1-2-23-11-12-24-13-14-25-15-16-26-17-19(22)21-10-6-4-8-18-7-3-5-9-20-18/h3,5,7,9H,2,6,10-17H2,1H3,(H,21,22)","GZJBCMWTESVNHV-UHFFFAOYSA-N"
"2633","CCOCCOCCOCCOCCOCC(=O)NCCC#CC1=CC=CC=N1","[R1]C1=CC(=NC=C1)C#CCCNC(=O)COCCOCCOCCOCCOCC[R2]","408.495","408.226036744","0.52","29","1","7","1","17","88.14","C21H32N2O6","InChI=1S/C21H32N2O6/c1-2-25-11-12-26-13-14-27-15-16-28-17-18-29-19-21(24)23-10-6-4-8-20-7-3-5-9-22-20/h3,5,7,9H,2,6,10-19H2,1H3,(H,23,24)","JUYCSYVWHNUHQM-UHFFFAOYSA-N"
"2634","CCCCCCCCCC(=O)NCCCNC1=CC=CC=N1","[R1]C1=CC(=NC=C1)NCCCNC(=O)CCCCCCCCC[R2]","305.466","305.246712612","5.47","22","1","3","2","13","54.02","C18H31N3O","InChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-13-18(22)21-16-11-15-20-17-12-9-10-14-19-17/h9-10,12,14H,2-8,11,13,15-16H2,1H3,(H,19,20)(H,21,22)","CXTGNRTWWRTPNU-UHFFFAOYSA-N"
"2635","CCCCCCCCCC(=O)NCCC#CC1=CC=CC=C1","[R1]C1=CC(=CC=C1)C#CCCNC(=O)CCCCCCCCC[R2]","299.458","299.224914548","5.97","22","1","1","1","10","29.1","C20H29NO","InChI=1S/C20H29NO/c1-2-3-4-5-6-7-11-17-20(22)21-18-13-12-16-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11,13,17-18H2,1H3,(H,21,22)","UMLFSDPGTLXNNR-UHFFFAOYSA-N"
"2636","CCCCCCCCCC(=O)NCCCCN1C=CC=N1","[R1]C1=NN(C=C1)CCCCNC(=O)CCCCCCCCC[R2]","293.455","293.246712612","4.27","21","1","3","1","13","46.92","C17H31N3O","InChI=1S/C17H31N3O/c1-2-3-4-5-6-7-8-12-17(21)18-13-9-10-15-20-16-11-14-19-20/h11,14,16H,2-10,12-13,15H2,1H3,(H,18,21)","CXIMUPQKEGOODG-UHFFFAOYSA-N"
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"2722","CN1CCC2(CCC2)CC1","[R1]C1CC2(C1)CCN(CC2)C[R2]","139.242","139.136099544","2.27","10","2","1","0","0","3.24","C9H17N","InChI=1S/C9H17N/c1-10-7-5-9(6-8-10)3-2-4-9/h2-8H2,1H3","XNPQAUGOBJQWOJ-UHFFFAOYSA-N"
"2723","CN1CCC2(CCCCC2)CC1","[R1]C1CCC2(CC1)CCN(CC2)C[R2]","167.296","167.167399672","3.35","12","2","1","0","0","3.24","C11H21N","InChI=1S/C11H21N/c1-12-9-7-11(8-10-12)5-3-2-4-6-11/h2-10H2,1H3","UDURNMDEDOQZDH-UHFFFAOYSA-N"
"2724","CCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CC[R2]","155.241","155.131014164","1.33","11","1","1","0","3","20.31","C9H17NO","InChI=1S/C9H17NO/c1-4-8(11)10(3)7-9(2)5-6-9/h4-7H2,1-3H3","PRGMVAIJYBIVSM-UHFFFAOYSA-N"
"2725","CCCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCCC[R2]","183.295","183.162314292","2.23","13","1","1","0","5","20.31","C11H21NO","InChI=1S/C11H21NO/c1-4-5-6-10(13)12(3)9-11(2)7-8-11/h4-9H2,1-3H3","XIAXBEKARHHWHB-UHFFFAOYSA-N"
"2726","CCCCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCCCC[R2]","197.322","197.177964356","2.77","14","1","1","0","6","20.31","C12H23NO","InChI=1S/C12H23NO/c1-4-5-6-7-11(14)13(3)10-12(2)8-9-12/h4-10H2,1-3H3","DWAXDWLEAUILPU-UHFFFAOYSA-N"
"2727","CCCCCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2]","211.349","211.19361442","3.32","15","1","1","0","7","20.31","C13H25NO","InChI=1S/C13H25NO/c1-4-5-6-7-8-12(15)14(3)11-13(2)9-10-13/h4-11H2,1-3H3","VHKJHMHIXWVYPR-UHFFFAOYSA-N"
"2728","CCOCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)COCC[R2]","185.267","185.141578848","1.11","13","1","2","0","5","29.54","C10H19NO2","InChI=1S/C10H19NO2/c1-4-13-7-9(12)11(3)8-10(2)5-6-10/h4-8H2,1-3H3","SFWPRSBBBSMHFR-UHFFFAOYSA-N"
"2729","CCOCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCOCC[R2]","199.294","199.157228912","1.02","14","1","2","0","6","29.54","C11H21NO2","InChI=1S/C11H21NO2/c1-4-14-8-5-10(13)12(3)9-11(2)6-7-11/h4-9H2,1-3H3","FPJCAPAOHUMBLE-UHFFFAOYSA-N"
"2730","CCOCCOCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCOCCOCC[R2]","243.347","243.18344366","0.87","17","1","3","0","9","38.77","C13H25NO3","InChI=1S/C13H25NO3/c1-4-16-9-10-17-8-5-12(15)14(3)11-13(2)6-7-13/h4-11H2,1-3H3","BAWMILAETMOIDM-UHFFFAOYSA-N"
"2731","CCCCOCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)COCCCC[R2]","213.321","213.172878976","2","15","1","2","0","7","29.54","C12H23NO2","InChI=1S/C12H23NO2/c1-4-5-8-15-9-11(14)13(3)10-12(2)6-7-12/h4-10H2,1-3H3","RWKXCXKGHMWQOT-UHFFFAOYSA-N"
"2732","CCOCCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCCOCC[R2]","213.321","213.172878976","1.37","15","1","2","0","7","29.54","C12H23NO2","InChI=1S/C12H23NO2/c1-4-15-9-5-6-11(14)13(3)10-12(2)7-8-12/h4-10H2,1-3H3","SWNQRFHTROWUBK-UHFFFAOYSA-N"
"2733","C#CCCCCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCCCCC#C[R2]","221.344","221.177964356","2.81","16","1","1","0","7","20.31","C14H23NO","InChI=1S/C14H23NO/c1-4-5-6-7-8-9-13(16)15(3)12-14(2)10-11-14/h1H,5-12H2,2-3H3","XGYNAMXAHBGHKC-UHFFFAOYSA-N"
"2734","C#CCCOCCC(=O)N(C)CC1(C)CC1","[R1]CC1(CC1)CN(C)C(=O)CCOCCC#C[R2]","223.316","223.157228912","1.23","16","1","2","0","7","29.54","C13H21NO2","InChI=1S/C13H21NO2/c1-4-5-9-16-10-6-12(15)14(3)11-13(2)7-8-13/h1H,5-11H2,2-3H3","DPSDTKACNDXZRO-UHFFFAOYSA-N"
"2735","CN(CC1(C)CC1)C(=O)CCCCCCN","[R1]CC1(CC1)CN(C)C(=O)CCCCCCN[R2]","226.364","226.204513452","1.47","16","1","2","1","8","46.33","C13H26N2O","InChI=1S/C13H26N2O/c1-13(8-9-13)11-15(2)12(16)7-5-3-4-6-10-14/h3-11,14H2,1-2H3","BBLHGFHBMRVOCY-UHFFFAOYSA-N"
"2736","CCN1CCC(C(=O)N(C)CC2(C)CC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)CC[R2]","238.375","238.204513452","1.72","17","2","2","0","4","23.55","C14H26N2O","InChI=1S/C14H26N2O/c1-4-16-9-5-12(6-10-16)13(17)15(3)11-14(2)7-8-14/h12H,4-11H2,1-3H3","UTOOIISVVHPKKO-UHFFFAOYSA-N"
"2737","CN(CC1(C)CC1)C(=O)C1CCN(C2CCCCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)C3CCC(CC3)[R2]","292.467","292.251463644","3.17","21","3","2","0","4","23.55","C18H32N2O","InChI=1S/C18H32N2O/c1-18(10-11-18)14-19(2)17(21)15-8-12-20(13-9-15)16-6-4-3-5-7-16/h15-16H,3-14H2,1-2H3","GTNZIEZFTHPVNK-UHFFFAOYSA-N"
"2738","CN(CC1(C)CC1)C(=O)CCCOC1CCCCC1","[R1]CC1(CC1)CN(C)C(=O)CCCOC2CCC(CC2)[R2]","267.413","267.219829168","2.82","19","2","2","0","7","29.54","C16H29NO2","InChI=1S/C16H29NO2/c1-16(10-11-16)13-17(2)15(18)9-6-12-19-14-7-4-3-5-8-14/h14H,3-13H2,1-2H3","LEHQUJWAFOPTEN-UHFFFAOYSA-N"
"2739","CN(CC1(C)CC1)C(=O)CCCN(C)C1CCCCC1","[R1]CC1(CC1)CN(C)C(=O)CCCN(C)C2CCC(CC2)[R2]","280.456","280.251463644","3","20","2","2","0","7","23.55","C17H32N2O","InChI=1S/C17H32N2O/c1-17(11-12-17)14-19(3)16(20)10-7-13-18(2)15-8-5-4-6-9-15/h15H,4-14H2,1-3H3","IAJBXTYTHWWUNC-UHFFFAOYSA-N"
"2740","CN(CC1(C)CC1)C(=O)CCC(=O)N(C)C1CCCCC1","[R1]CC1(CC1)CN(C)C(=O)CCC(=O)N(C)C2CCC(CC2)[R2]","294.439","294.2307282","2.04","21","2","2","0","6","40.62","C17H30N2O2","InChI=1S/C17H30N2O2/c1-17(11-12-17)13-18(2)15(20)9-10-16(21)19(3)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3","OOGDMMKDIXZAQQ-UHFFFAOYSA-N"
"2741","CN(CC1(C)CC1)C(=O)CN1CCN(C2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)CN2CCN(CC2)C3CCN(CC3)[R2]","308.47","308.257611644","0.87","22","3","4","1","5","38.82","C17H32N4O","InChI=1S/C17H32N4O/c1-17(5-6-17)14-19(2)16(22)13-20-9-11-21(12-10-20)15-3-7-18-8-4-15/h15,18H,3-14H2,1-2H3","VODSQLAASXFPCD-UHFFFAOYSA-N"
"2742","CN(CC1(C)CC1)C(=O)CN1CCN(C2CNC2)CC1","[R1]CC1(CC1)CN(C)C(=O)CN2CCN(CC2)C3CN(C3)[R2]","280.416","280.226311516","0.15","20","3","4","1","5","38.82","C15H28N4O","InChI=1S/C15H28N4O/c1-15(3-4-15)12-17(2)14(20)11-18-5-7-19(8-6-18)13-9-16-10-13/h13,16H,3-12H2,1-2H3","SKEMZTYQZKQQJL-UHFFFAOYSA-N"
"2743","CN(CC1(C)CC1)C(=O)CN1CCC(CN2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)CN2CCC(CC2)CN3CCN(CC3)[R2]","322.497","322.273261708","1.06","23","3","4","1","6","38.82","C18H34N4O","InChI=1S/C18H34N4O/c1-18(5-6-18)15-20(2)17(23)14-21-9-3-16(4-10-21)13-22-11-7-19-8-12-22/h16,19H,3-15H2,1-2H3","PSSAAJMVUUFYAW-UHFFFAOYSA-N"
"2744","CN(CC1(C)CC1)C(=O)CN1CCC(OC2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)CN2CCC(CC2)OC3CCN(CC3)[R2]","323.481","323.257277296","1.46","23","3","4","1","6","44.81","C18H33N3O2","InChI=1S/C18H33N3O2/c1-18(7-8-18)14-20(2)17(22)13-21-11-5-16(6-12-21)23-15-3-9-19-10-4-15/h15-16,19H,3-14H2,1-2H3","DNQBLCVLRRQEAW-UHFFFAOYSA-N"
"2745","CN(CC1(C)CC1)C(=O)C1CCC(N2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCC(CC2)N3CCN(CC3)[R2]","293.455","293.246712612","1.48","21","3","3","1","4","35.58","C17H31N3O","InChI=1S/C17H31N3O/c1-17(7-8-17)13-19(2)16(21)14-3-5-15(6-4-14)20-11-9-18-10-12-20/h14-15,18H,3-13H2,1-2H3","AAGVPGRIAATBKU-UHFFFAOYSA-N"
"2746","CN(CC1(C)CC1)C(=O)C1CCN(C2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)C3CCN(CC3)[R2]","293.455","293.246712612","1.48","21","3","3","1","4","35.58","C17H31N3O","InChI=1S/C17H31N3O/c1-17(7-8-17)13-19(2)16(21)14-5-11-20(12-6-14)15-3-9-18-10-4-15/h14-15,18H,3-13H2,1-2H3","OIHFSHHBFKKWIT-UHFFFAOYSA-N"
"2747","CN(CC1(C)CC1)C(=O)C1CCN(C(=O)C2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)C(=O)C3CCN(CC3)[R2]","321.465","321.241627232","0.84","23","3","3","1","4","52.65","C18H31N3O2","InChI=1S/C18H31N3O2/c1-18(7-8-18)13-20(2)16(22)15-5-11-21(12-6-15)17(23)14-3-9-19-10-4-14/h14-15,19H,3-13H2,1-2H3","KWUBALCLSXSHBG-UHFFFAOYSA-N"
"2748","CN(CC1(C)CC1)C(=O)C1CCC(NC2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCC(CC2)NC3CCN(CC3)[R2]","307.482","307.262362676","1.8","22","3","3","2","5","44.37","C18H33N3O","InChI=1S/C18H33N3O/c1-18(9-10-18)13-21(2)17(22)14-3-5-15(6-4-14)20-16-7-11-19-12-8-16/h14-16,19-20H,3-13H2,1-2H3","JGXVFLNGEVEDCA-UHFFFAOYSA-N"
"2749","CN(CC1(C)CC1)C(=O)C1CCC(OC2CCNCC2)CC1","[R1]CC1(CC1)CN(C)C(=O)C2CCC(CC2)OC3CCN(CC3)[R2]","308.466","308.246378264","2.08","22","3","3","1","5","41.57","C18H32N2O2","InChI=1S/C18H32N2O2/c1-18(9-10-18)13-20(2)17(21)14-3-5-15(6-4-14)22-16-7-11-19-12-8-16/h14-16,19H,3-13H2,1-2H3","HHSTVIIUVQPURG-UHFFFAOYSA-N"
"2750","CN(CC1(C)CC1)C(=O)CCCCCCO","[R1]CC1(CC1)CN(C)C(=O)CCCCCCO[R2]","227.348","227.18852904","1.73","16","1","2","1","8","40.54","C13H25NO2","InChI=1S/C13H25NO2/c1-13(8-9-13)11-14(2)12(16)7-5-3-4-6-10-15/h15H,3-11H2,1-2H3","NIRYNEYIXPYPSM-UHFFFAOYSA-N"
"2751","CCC1=CC=C(NC(C)=O)C=C1","[R1]CCC1=CC=C(C=C1)NC(=O)C[R2]","163.22","163.099714036","1.9","12","1","1","1","2","29.1","C10H13NO","InChI=1S/C10H13NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)","HOPWGOFWAPWHDS-UHFFFAOYSA-N"
"2752","CCCC(=O)NC1=CC=C(CC)C=C1","[R1]CCC1=CC=C(C=C1)NC(=O)CCC[R2]","191.274","191.131014164","2.72","14","1","1","1","4","29.1","C12H17NO","InChI=1S/C12H17NO/c1-3-5-12(14)13-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H,13,14)","QHNZLTOFZFYWHB-UHFFFAOYSA-N"
"2753","O=CCN1CCN(C(=O)CO)CC1","[R1]C(=O)CN1CCN(CC1)C(=O)CO[R2]","186.211","186.100442308","-1.59","13","1","4","1","3","60.85","C8H14N2O3","InChI=1S/C8H14N2O3/c11-6-5-9-1-3-10(4-2-9)8(13)7-12/h6,12H,1-5,7H2","GVTKHLKBVZWZOW-UHFFFAOYSA-N"
"2754","CCCOC=O","[R1]CCCOC(=O)[R2]","88.106","88.052429496","0.57","6","0","2","0","3","26.3","C4H8O2","InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","KFNNIILCVOLYIR-UHFFFAOYSA-N"
"2755","CCCCOC=O","[R1]CCCCOC(=O)[R2]","102.133","102.06807956","0.96","7","0","2","0","4","26.3","C5H10O2","InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3","NMJJFJNHVMGPGM-UHFFFAOYSA-N"
"2756","CCCCCOC=O","[R1]CCCCCOC(=O)[R2]","116.16","116.083729624","1.35","8","0","2","0","5","26.3","C6H12O2","InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3","DIQMPQMYFZXDAX-UHFFFAOYSA-N"
"2757","CCCCCCOC=O","[R1]CCCCCCOC(=O)[R2]","130.187","130.099379688","1.74","9","0","2","0","6","26.3","C7H14O2","InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3","OUGPMNMLWKSBRI-UHFFFAOYSA-N"
"2758","CCOCCOCCOCCOC=O","[R1]CCOCCOCCOCCOC(=O)[R2]","206.238","206.115423676","0.23","14","0","5","0","11","53.99","C9H18O5","InChI=1S/C9H18O5/c1-2-11-3-4-12-5-6-13-7-8-14-9-10/h9H,2-8H2,1H3","NRYWTFACSYJTBW-UHFFFAOYSA-N"
"2759","CCOCCOCCOCCOCCOC=O","[R1]CCOCCOCCOCCOCCOC(=O)[R2]","250.291","250.141638424","0.25","17","0","6","0","14","63.22","C11H22O6","InChI=1S/C11H22O6/c1-2-13-3-4-14-5-6-15-7-8-16-9-10-17-11-12/h11H,2-10H2,1H3","VDWGMQNJAZSDKA-UHFFFAOYSA-N"
"2760","O=COCCOC=O","[R1]C(=O)OCCOC(=O)[R2]","118.088","118.026608672","-0.67","8","0","4","0","5","52.6","C4H6O4","InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2","IKCQWKJZLSDDSS-UHFFFAOYSA-N"
"2761","O=COCCOCCOC=O","[R1]C(=O)OCCOCCOC(=O)[R2]","162.141","162.05282342","-0.65","11","0","5","0","8","61.83","C6H10O5","InChI=1S/C6H10O5/c7-5-10-3-1-9-2-4-11-6-8/h5-6H,1-4H2","JGJDTAFZUXGTQS-UHFFFAOYSA-N"
"2762","O=COCCOCCOCCOC=O","[R1]C(=O)OCCOCCOCCOC(=O)[R2]","206.194","206.079038168","-0.63","14","0","6","0","11","71.06","C8H14O6","InChI=1S/C8H14O6/c9-7-13-5-3-11-1-2-12-4-6-14-8-10/h7-8H,1-6H2","LPESYAYNMKQFKW-UHFFFAOYSA-N"
"2763","O=COCCOCCOCCOCCOCCOC=O","[R1]C(=O)OCCOCCOCCOCCOCCOC(=O)[R2]","294.3","294.131467664","-0.6","20","0","8","0","17","89.52","C12H22O8","InChI=1S/C12H22O8/c13-11-19-9-7-17-5-3-15-1-2-16-4-6-18-8-10-20-12-14/h11-12H,1-10H2","JBAXBZGQUOEQEB-UHFFFAOYSA-N"
"2764","O=COCCOCCOCCOCCOCCOCCOC=O","[R1]C(=O)OCCOCCOCCOCCOCCOCCOC(=O)[R2]","338.353","338.157682412","-0.58","23","0","9","0","20","98.75","C14H26O9","InChI=1S/C14H26O9/c15-13-22-11-9-20-7-5-18-3-1-17-2-4-19-6-8-21-10-12-23-14-16/h13-14H,1-12H2","FDNQADRIROJTIS-UHFFFAOYSA-N"
"2765","CCCCCCCOC=O","[R1]CCCCCCCOC(=O)[R2]","144.214","144.115029752","2.13","10","0","2","0","7","26.3","C8H16O2","InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3","XEAMDSXSXYAICO-UHFFFAOYSA-N"
"2766","CCCCCCCCOC=O","[R1]CCCCCCCCOC(=O)[R2]","158.241","158.130679816","2.52","11","0","2","0","8","26.3","C9H18O2","InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3","AVBRYQRTMPHARE-UHFFFAOYSA-N"
"2767","CCCCCCCCCOC=O","[R1]CCCCCCCCCOC(=O)[R2]","172.268","172.14632988","2.91","12","0","2","0","9","26.3","C10H20O2","InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-12-10-11/h10H,2-9H2,1H3","MOGJOLMSQWGXPA-UHFFFAOYSA-N"
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"2824","O=COCCCCCCOCCOC=O","[R1]C(=O)OCCCCCCOCCOC(=O)[R2]","218.249","218.115423676","0.91","15","0","5","0","12","61.83","C10H18O5","InChI=1S/C10H18O5/c11-9-14-6-4-2-1-3-5-13-7-8-15-10-12/h9-10H,1-8H2","IWYKANZEIXLTLS-UHFFFAOYSA-N"
"2825","O=COCCCCCCOCCOCCOC=O","[R1]C(=O)OCCCCCCOCCOCCOC(=O)[R2]","262.302","262.141638424","0.93","18","0","6","0","15","71.06","C12H22O6","InChI=1S/C12H22O6/c13-11-17-6-4-2-1-3-5-15-7-8-16-9-10-18-12-14/h11-12H,1-10H2","ZUBKWURIUGRHAH-UHFFFAOYSA-N"
"2826","O=COCCCCCCOCCOCCOCCOC=O","[R1]C(=O)OCCCCCCOCCOCCOCCOC(=O)[R2]","306.355","306.167853172","0.94","21","0","7","0","18","80.29","C14H26O7","InChI=1S/C14H26O7/c15-13-20-6-4-2-1-3-5-17-7-8-18-9-10-19-11-12-21-14-16/h13-14H,1-12H2","YOWHWCNUJZFVCQ-UHFFFAOYSA-N"
"2827","O=COCCCCCCCCOCCOC=O","[R1]C(=O)OCCCCCCCCOCCOC(=O)[R2]","246.303","246.146723804","1.69","17","0","5","0","14","61.83","C12H22O5","InChI=1S/C12H22O5/c13-11-16-8-6-4-2-1-3-5-7-15-9-10-17-12-14/h11-12H,1-10H2","JASXTJYJTWLQMW-UHFFFAOYSA-N"
"2828","O=COCCCCCCCCOCCOCCOC=O","[R1]C(=O)OCCCCCCCCOCCOCCOC(=O)[R2]","290.356","290.172938552","1.71","20","0","6","0","17","71.06","C14H26O6","InChI=1S/C14H26O6/c15-13-19-8-6-4-2-1-3-5-7-17-9-10-18-11-12-20-14-16/h13-14H,1-12H2","VZLVOXPOMWKEHO-UHFFFAOYSA-N"
"2829","O=COCCCCCCCCOCCOCCOCCOC=O","[R1]C(=O)OCCCCCCCCOCCOCCOCCOC(=O)[R2]","334.409","334.1991533","1.72","23","0","7","0","20","80.29","C16H30O7","InChI=1S/C16H30O7/c17-15-22-8-6-4-2-1-3-5-7-19-9-10-20-11-12-21-13-14-23-16-18/h15-16H,1-14H2","RHDYBUCUZPAQKS-UHFFFAOYSA-N"
"2830","O=COCCCCCCCCCCOCCOC=O","[R1]C(=O)OCCCCCCCCCCOCCOC(=O)[R2]","274.357","274.178023932","2.47","19","0","5","0","16","61.83","C14H26O5","InChI=1S/C14H26O5/c15-13-18-10-8-6-4-2-1-3-5-7-9-17-11-12-19-14-16/h13-14H,1-12H2","MCAHSGOJSQXXHG-UHFFFAOYSA-N"
"2831","O=COCCCCCCCCCCOCCOCCOC=O","[R1]C(=O)OCCCCCCCCCCOCCOCCOC(=O)[R2]","318.41","318.20423868","2.49","22","0","6","0","19","71.06","C16H30O6","InChI=1S/C16H30O6/c17-15-21-10-8-6-4-2-1-3-5-7-9-19-11-12-20-13-14-22-16-18/h15-16H,1-14H2","FVMBYEQICYDVRL-UHFFFAOYSA-N"
"2832","O=COCCCCCCCCCCOCCOCCOCCOC=O","[R1]C(=O)OCCCCCCCCCCOCCOCCOCCOC(=O)[R2]","362.463","362.230453428","2.5","25","0","7","0","22","80.29","C18H34O7","InChI=1S/C18H34O7/c19-17-24-10-8-6-4-2-1-3-5-7-9-21-11-12-22-13-14-23-15-16-25-18-20/h17-18H,1-16H2","PCJKGADXSJESKO-UHFFFAOYSA-N"
"2833","O=COCCCOCCOC=O","[R1]C(=O)OCCOCCCOC(=O)[R2]","176.168","176.068473484","-0.26","12","0","5","0","9","61.83","C7H12O5","InChI=1S/C7H12O5/c8-6-11-3-1-2-10-4-5-12-7-9/h6-7H,1-5H2","VQIFKPZAEXEUSP-UHFFFAOYSA-N"
"2834","O=COCCCOCCCOC=O","[R1]C(=O)OCCCOCCCOC(=O)[R2]","190.195","190.084123548","0.13","13","0","5","0","10","61.83","C8H14O5","InChI=1S/C8H14O5/c9-7-12-5-1-3-11-4-2-6-13-8-10/h7-8H,1-6H2","VCFZAHKPZKGYCV-UHFFFAOYSA-N"
"2835","O=COCCCCOCCCOC=O","[R1]C(=O)OCCCOCCCCOC(=O)[R2]","204.222","204.099773612","0.52","14","0","5","0","11","61.83","C9H16O5","InChI=1S/C9H16O5/c10-8-13-5-2-1-4-12-6-3-7-14-9-11/h8-9H,1-7H2","OLKKEVSSWMTCMK-UHFFFAOYSA-N"
"2836","O=COCCCCOCCCCOC=O","[R1]C(=O)OCCCCOCCCCOC(=O)[R2]","218.249","218.115423676","0.91","15","0","5","0","12","61.83","C10H18O5","InChI=1S/C10H18O5/c11-9-14-7-3-1-5-13-6-2-4-8-15-10-12/h9-10H,1-8H2","JUWXGRTWWSEXNU-UHFFFAOYSA-N"
"2837","CCCOCCOCOC=O","[R1]CCCOCCOCOC(=O)[R2]","162.185","162.089208928","0.56","11","0","4","0","8","44.76","C7H14O4","InChI=1S/C7H14O4/c1-2-3-9-4-5-10-7-11-6-8/h6H,2-5,7H2,1H3","UUHRBSPMWBAGRW-UHFFFAOYSA-N"
"2838","CCCOCCOOCCOCOC=O","[R1]CCCOCCOOCCOCOC(=O)[R2]","222.237","222.110338296","0.51","15","0","6","0","12","63.22","C9H18O6","InChI=1S/C9H18O6/c1-2-3-11-4-6-14-15-7-5-12-9-13-8-10/h8H,2-7,9H2,1H3","GKWPEMSWMNIEBI-UHFFFAOYSA-N"
"2839","CCCOCCOOCCOOCCOCOC=O","[R1]CCCOCCOOCCOOCCOCOC(=O)[R2]","282.289","282.131467664","0.46","19","0","8","0","16","81.68","C11H22O8","InChI=1S/C11H22O8/c1-2-3-13-4-6-16-18-8-9-19-17-7-5-14-11-15-10-12/h10H,2-9,11H2,1H3","RKFMLRBJYMUCHS-UHFFFAOYSA-N"
"2840","CCCOCCOOCCOOCCOOCCOCOC=O","[R1]CCCOCCOOCCOOCCOOCCOCOC(=O)[R2]","342.341","342.152597032","0.4","23","0","10","0","20","100.14","C13H26O10","InChI=1S/C13H26O10/c1-2-3-15-4-6-18-20-8-10-22-23-11-9-21-19-7-5-16-13-17-12-14/h12H,2-11,13H2,1H3","GMZHVVTYZJHARO-UHFFFAOYSA-N"
"2841","CCCCOCCOCOC=O","[R1]CCCCOCCOCOC(=O)[R2]","176.212","176.104858992","0.95","12","0","4","0","9","44.76","C8H16O4","InChI=1S/C8H16O4/c1-2-3-4-10-5-6-11-8-12-7-9/h7H,2-6,8H2,1H3","OAMPAPHTQHQVRC-UHFFFAOYSA-N"
"2842","CCCCOCCOOCCOCOC=O","[R1]CCCCOCCOOCCOCOC(=O)[R2]","236.264","236.12598836","0.9","16","0","6","0","13","63.22","C10H20O6","InChI=1S/C10H20O6/c1-2-3-4-12-5-7-15-16-8-6-13-10-14-9-11/h9H,2-8,10H2,1H3","FWHHBOKYZCMYEP-UHFFFAOYSA-N"
"2843","CCCCOCCOOCCOOCCOCOC=O","[R1]CCCCOCCOOCCOOCCOCOC(=O)[R2]","296.316","296.147117728","0.85","20","0","8","0","17","81.68","C12H24O8","InChI=1S/C12H24O8/c1-2-3-4-14-5-7-17-19-9-10-20-18-8-6-15-12-16-11-13/h11H,2-10,12H2,1H3","QAAPRIXQQNIOTF-UHFFFAOYSA-N"
"2844","CCCCOCCOOCCOOCCOOCCOCOC=O","[R1]CCCCOCCOOCCOOCCOOCCOCOC(=O)[R2]","356.368","356.168247096","0.79","24","0","10","0","21","100.14","C14H28O10","InChI=1S/C14H28O10/c1-2-3-4-16-5-7-19-21-9-11-23-24-12-10-22-20-8-6-17-14-18-13-15/h13H,2-12,14H2,1H3","HQAJKQUVFFSENY-UHFFFAOYSA-N"
"2845","CCCCCOCCOCOC=O","[R1]CCCCCOCCOCOC(=O)[R2]","190.239","190.120509056","1.34","13","0","4","0","10","44.76","C9H18O4","InChI=1S/C9H18O4/c1-2-3-4-5-11-6-7-12-9-13-8-10/h8H,2-7,9H2,1H3","CDEJEPAHIIMNOA-UHFFFAOYSA-N"
"2846","CCCCCOCCOOCCOCOC=O","[R1]CCCCCOCCOOCCOCOC(=O)[R2]","250.291","250.141638424","1.29","17","0","6","0","14","63.22","C11H22O6","InChI=1S/C11H22O6/c1-2-3-4-5-13-6-8-16-17-9-7-14-11-15-10-12/h10H,2-9,11H2,1H3","VZOPPTRSDCKXNG-UHFFFAOYSA-N"
"2847","CCCCCOCCOOCCOOCCOCOC=O","[R1]CCCCCOCCOOCCOOCCOCOC(=O)[R2]","310.343","310.162767792","1.24","21","0","8","0","18","81.68","C13H26O8","InChI=1S/C13H26O8/c1-2-3-4-5-15-6-8-18-20-10-11-21-19-9-7-16-13-17-12-14/h12H,2-11,13H2,1H3","ALFLBHKQGKPRQG-UHFFFAOYSA-N"
"2848","CCCCCOCCOOCCOOCCOOCCOCOC=O","[R1]CCCCCOCCOOCCOOCCOOCCOCOC(=O)[R2]","370.395","370.18389716","1.18","25","0","10","0","22","100.14","C15H30O10","InChI=1S/C15H30O10/c1-2-3-4-5-17-6-8-20-22-10-12-24-25-13-11-23-21-9-7-18-15-19-14-16/h14H,2-13,15H2,1H3","NLRVMYHLXHAPFN-UHFFFAOYSA-N"