smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC[C@H](C)N(C)CC1(CC#N)CC1 83862312 MTMVEJFYPQPWAS-NSHDSACASA-N 194.322 2.801 30 20 AFED CC1CCC(CS)CC1 86895247 CZCXPEWHAVZECD-UHFFFAOYSA-N 144.283 2.743 30 20 AFED Cc1c(Cl)cccc1[C@H](N)CC#N 104684941 KKUMWOWBNUYRBG-SNVBAGLBSA-N 194.665 2.562 30 20 AFED C=C[C@H](C)N[C@@H](C)c1cnccc1C 129236858 YDGCEXFSOMGYSW-QWRGUYRKSA-N 190.290 2.615 30 20 AFED c1ccc2c(CC[C@H]3CO3)ccnc2c1 148312138 KXCUZCGIYOSLTN-NSHDSACASA-N 199.253 2.566 30 20 AFED C=CCC[C@H](C)NCC1(SC)CC1 228023225 VRHFRDICRNMFIC-JTQLQIEISA-N 199.363 2.826 30 20 AFED C=CCCCOc1cccc(C)n1 379357165 QPACDZASNJROFJ-UHFFFAOYSA-N 177.247 2.735 30 20 AFED C=C[C@H](C)NC(=O)[C@@H](C)CCCC 388618945 DSPDHGMMFFEBKH-UWVGGRQHSA-N 183.295 2.503 30 20 AFED C=CCNc1ccccc1OCCF 651250064 CQYMKRKTDBYFOL-UHFFFAOYSA-N 195.237 2.633 30 20 AFED C=CCON=C(CC)C1CCC1 835014746 LNCMKBPBMQMCKJ-UHFFFAOYSA-N 167.252 2.755 30 20 AFED Cc1ccc([C@@H](C)NCCCC#N)o1 37979135 BSPJHGODHIXHMU-SNVBAGLBSA-N 192.262 2.542 30 20 AFED N#Cc1cc(Cl)c(Cl)cc1O 83139496 VYUQTYKWGORZIJ-UHFFFAOYSA-N 188.013 2.571 30 20 AFED C=CC[C@@H](C)[C@H](C)NCC(C)(C)C#N 134976814 LORSJYQIRBFYEW-MNOVXSKESA-N 194.322 2.726 30 20 AFED C/C(=C\Cl)CC1(C=O)CCC1 307028444 KUVILCXTIWHHDA-SOFGYWHQSA-N 172.655 2.888 30 20 AFED C=CC(C)(C)CNc1nccs1 307427245 RGVIXHAYMZZAMV-UHFFFAOYSA-N 182.292 2.767 30 20 AFED C=C(C)CCN1[C@@H](C)CC[C@H]1C 307736970 TVALPFATPQUJHT-PHIMTYICSA-N 167.296 2.825 30 20 AFED C=CC[C@H](C)N[C@H](C)C1CCC1 307958774 IJLDZLJMNCQQIG-VHSXEESVSA-N 167.296 2.729 30 20 AFED C=CCCCCNC[C@H](C)CC 308059377 VSGOLIBFSHGWAW-LLVKDONJSA-N 169.312 2.978 30 20 AFED C=CCN(c1ncc(C)s1)C1CC1 308300927 KJYDMKIRAYAAJY-UHFFFAOYSA-N 194.303 2.606 30 20 AFED C=C(CC)CNCc1ncc(C)s1 313498239 NCZMHFNJEZPZJZ-UHFFFAOYSA-N 196.319 2.507 30 20 AFED CCCC=NNc1cc(Cl)ccn1 379363701 KSBZDDDFNJCHQD-UHFFFAOYSA-N 197.669 2.933 30 20 AFED C=C[C@H](C)NC(=O)CC[C@@H](C)CC 388582629 BXJZRAYMOMXWRQ-UWVGGRQHSA-N 183.295 2.503 30 20 AFED CCN(CCCC(C)C)[C@H](C)C#N 595820609 NHIDIUIORVWXMZ-LLVKDONJSA-N 182.311 2.657 30 20 AFED C=CCN(C)c1ccccc1C 622764953 LJNUKDAEBXMYLE-UHFFFAOYSA-N 161.248 2.617 30 20 AFED CCC#C[C@@H](C)N1CCC(C)=C(C)C1 684629578 WFGRRLUCIFTTQT-CYBMUJFWSA-N 191.318 2.830 30 20 AFED C=C(C)CCOC(=O)[C@@H]1CC=CCC1 744305284 XJDBAZCGODQTML-LLVKDONJSA-N 194.274 2.852 30 20 AFED C#Cc1cccc(N(C)CC2CC2)c1 763403572 PGQLPKSLSSGRHZ-UHFFFAOYSA-N 185.270 2.514 30 20 AFED CC[C@@H]1CC(=NOC2CCC2)CCO1 812236646 PUBWOECKWHLUAF-SNVBAGLBSA-N 197.278 2.501 30 20 AFED C=C(C)CCNC(=O)CCC1(C)CC1 821407492 OSNOOWNLLNGXBG-UHFFFAOYSA-N 195.306 2.649 30 20 AFED C=CCCOC(=O)[C@@]1(C)CC=CCC1 835089803 OSPRYFIXFUYIQH-LBPRGKRZSA-N 194.274 2.852 30 20 AFED C=C(C)CON=C1CC[C@H]1CC 844619897 MJYYQKLZNUZBJN-SECBINFHSA-N 167.252 2.755 30 20 AFED CCON=C1CCc2cc(C)ccc21 921257552 HAGBSTYLRIXBDN-UHFFFAOYSA-N 189.258 2.682 30 20 AFED C=C[C@H](C)NCc1ccc(F)c(F)c1 130475952 SYFXBQKIYBBQDJ-QMMMGPOBSA-N 197.228 2.629 30 20 AFED C=C(C)CSc1ccc(C#N)cn1 307718016 KQQTZCOYTOIDFJ-UHFFFAOYSA-N 190.271 2.621 30 20 AFED C=CCC[C@H](C)NC[C@H](OC)C(C)C 308506001 IRZJJGSDXJLKDN-RYUDHWBXSA-N 199.338 2.602 30 20 AFED C=CC[C@H](C)[C@@H](C)N[C@@H](CC)COC 308596647 MUEHBNRDMZOOCJ-TUAOUCFPSA-N 199.338 2.602 30 20 AFED CCC[C@H](CC)N[C@H]1CC[C@H](C#N)C1 308633413 ZXBSZVQPAYLPOM-SRVKXCTJSA-N 194.322 2.847 30 20 AFED CC[C@@H](C)[C@H](C)N(CCC#N)C1CC1 320083534 TZYLDMPOLMWWPC-MNOVXSKESA-N 194.322 2.799 30 20 AFED C=CCCNC1CCC(F)(F)CC1 390067454 SERSTRQOLFDITK-UHFFFAOYSA-N 189.249 2.730 30 20 AFED CCCCC[C@H](C)CC(=O)OCC#N 745493027 VZAHIWXVNVKRET-JTQLQIEISA-N 197.278 2.660 30 20 AFED C#CCCCN(CC1CCC1)C(C)C 769928061 QUIKAQOVRRNPQV-UHFFFAOYSA-N 193.334 2.910 30 20 AFED CC1(C)CCC1=NNc1ccccn1 788963085 HNEZYKOAHNXMAS-UHFFFAOYSA-N 189.262 2.670 30 20 AFED CCCON=C(CC)c1ccncc1 842556689 SRHMBMOIWHNYSG-UHFFFAOYSA-N 192.262 2.622 30 20 AFED C=C[C@@H](C)ON=C(CC)c1ccco1 844621267 XHYNLMRJIRRKRL-SECBINFHSA-N 193.246 2.985 30 20 AFED Cc1ccc(NCCC#N)c(C)c1 32006790 PONRMJLQNIVNHV-UHFFFAOYSA-N 174.247 2.629 30 20 AFED N#Cc1cncc(-c2ccccc2F)c1 47203953 NLQFMMIMJYQRIX-UHFFFAOYSA-N 198.200 2.759 30 20 AFED C[C@@H]1CN(CCC(C)(C)C#N)C[C@@H]1C 86009921 KVYKGIADDBLXDJ-PHIMTYICSA-N 194.322 2.514 30 20 AFED C=C[C@H](C)NCc1cc(C)ccc1F 165866824 RHODITAINJWWRI-JTQLQIEISA-N 193.265 2.798 30 20 AFED C=C(C)CCOC(=O)C[C@@H](C)CC 308314977 UVESPVUXVZBELL-JTQLQIEISA-N 184.279 2.932 30 20 AFED C=C(CC)CN(C)[C@H](C)CC 379169839 KJOIVUHQCYCZGW-SNVBAGLBSA-N 155.285 2.683 30 20 AFED C=C(C)CNCc1cccc(C)c1F 394964528 GJGAADZATIMYIL-UHFFFAOYSA-N 193.265 2.800 30 20 AFED CON=Cc1ccc2ccccc2c1 767491604 PKUWSXJLJDEWGO-UHFFFAOYSA-N 185.226 2.820 30 20 AFED C=CCOC(=O)C1C[C@H](C)C[C@@H](C)C1 780233823 RFZWCQMCYAUQFW-NXEZZACHSA-N 196.290 2.788 30 20 AFED Cc1ccc(C=NOC2CCC2)cc1 812237074 IYXANUHJHAPRBK-UHFFFAOYSA-N 189.258 2.898 30 20 AFED C=C(C)c1ccc(OCC)cn1 904795777 YCRFQPSUBVEEEQ-UHFFFAOYSA-N 163.220 2.513 30 20 AFED CC(=O)C(C)=Cc1ccccc1 1857777720 BQJFBHBDOAIIGS-UHFFFAOYSA-N 160.216 2.679 30 20 AFED CC[C@@H](CC#N)NCC1CCCCC1 37259726 FVPAVPHGEVOSMU-LBPRGKRZSA-N 194.322 2.849 30 20 AFED CC(C)CCC[C@H](C)NC[C@@H](C)C#N 42207479 CZTKWSIBYFWVHC-RYUDHWBXSA-N 196.338 2.950 30 20 AFED C#CCCNc1cc(F)ccc1C 70159463 OPOWLTOSXTWHEJ-UHFFFAOYSA-N 177.222 2.569 30 20 AFED C=C(CC)COc1cccc(CO)c1 85059461 LYMJJJQDRVQYPF-UHFFFAOYSA-N 192.258 2.524 30 20 AFED CCCCCCCN[C@@H]1CCO[C@H]1C 134526989 DHUJZXFNTOVKFF-NWDGAFQWSA-N 199.338 2.724 30 20 AFED C=CCCOC(=O)[C@@H](C)CCCC 144077970 QQSZMHCCLSSUQU-JTQLQIEISA-N 184.279 2.932 30 20 AFED CC#CCCOc1ccc(Cl)nc1 157757890 QPHMWEQOOWOEJJ-UHFFFAOYSA-N 195.649 2.527 30 20 AFED C#CCCCNc1cc(C)cc(F)c1 161059788 COTJIPIQISQBAK-UHFFFAOYSA-N 191.249 2.959 30 20 AFED C#CCCN(C)[C@H]1CCc2ccccc21 219603958 TXZXSXPSEZXSIS-AWEZNQCLSA-N 199.297 2.629 30 20 AFED C#C[C@@H](C)N(C)CC1CCCCC1 307681280 PRADVXMIJPFAHU-LLVKDONJSA-N 179.307 2.520 30 20 AFED C#CCCCN[C@H](C)[C@H](C)CC=C 308147931 MRXDOTAGATXPJB-VXGBXAGGSA-N 179.307 2.590 30 20 AFED C=C[C@H](COC)N[C@@H](CC)CCCC 308608207 PZKCEIRSWPQDMM-NWDGAFQWSA-N 199.338 2.746 30 20 AFED C#CCCCN1CC[C@@](C)(CC)C1 379398255 SMGJRHUAYJOQKG-GFCCVEGCSA-N 179.307 2.522 30 20 AFED C=C(C)CCN(CC)CCC 388100051 SEYYEGOLNSILAK-UHFFFAOYSA-N 155.285 2.685 30 20 AFED CCCCCCCN[C@H](C)CC#N 703763776 VVRHCLINDHGTNQ-LLVKDONJSA-N 182.311 2.849 30 20 AFED C#CCN(CC)Cc1csc(C)c1 823419142 SXLRGTQZGZYQLJ-UHFFFAOYSA-N 193.315 2.512 30 20 AFED CCCC(=NOC)[C@H]1CC1(C)C 841620793 XRTZINIZSUATKG-MRVPVSSYSA-N 169.268 2.835 30 20 AFED CCCON=C[C@@H]1CC[C@@H](C)C1 842551431 QTQCXOFXARXWQF-NXEZZACHSA-N 169.268 2.835 30 20 AFED CCON=C1CCCCC[C@@H]1C 844577938 ZDRJFEBGUQYXCB-VIFPVBQESA-N 169.268 2.979 30 20 AFED C=C[C@H](CC)CC(=O)N(O)CCCC 900682699 OUEUGNUVTXYGSQ-SNVBAGLBSA-N 199.294 2.607 30 20 AFED C=CCCCSCCOC1CC1 902327905 YBXSOQMAMLPVNK-UHFFFAOYSA-N 186.320 2.865 30 20 AFED C=C(C)CCC(=O)N(C)[C@@H](C)CCC 1353529206 UVSXDIRDTBKUJA-NSHDSACASA-N 197.322 2.990 30 20 AFED CCN(CCCC#N)c1ccccc1 19480613 RXUYBAFURUQVNW-UHFFFAOYSA-N 188.274 2.817 30 20 AFED C=C(C)CNCc1ccc(C)s1 51753648 YHECNDPQSWQWEV-UHFFFAOYSA-N 181.304 2.722 30 20 AFED O=CC1(Cc2ccoc2)CCCC1 306449449 AKBUWXVFCFARLQ-UHFFFAOYSA-N 178.231 2.581 30 20 AFED C[C@@H]1CCC[C@@]1(C=O)CC(F)(F)F 307525028 FLHGHUDATAJEID-SFYZADRCSA-N 194.196 2.944 30 20 AFED C=CCCC(=O)N(C)[C@@H](C)CCC 308422445 PEEWVBAULQQUIQ-JTQLQIEISA-N 183.295 2.600 30 20 AFED CC[C@H]1CCCN1CC1(C#N)CCC1 335232004 FNUHQEHKPGNFCM-NSHDSACASA-N 192.306 2.555 30 20 AFED CCON=Cc1cnc(C(C)C)s1 388375085 YUHRGJQXKDDVQX-UHFFFAOYSA-N 198.291 2.637 30 20 AFED C[C@@H]1CN(CCCCC#N)[C@@H](C)[C@H]1C 399683594 RXTDUNDEUPSFFB-WOPDTQHZSA-N 194.322 2.657 30 20 AFED C=CC[C@H](C)NC(=O)C[C@@H](C)C1CC1 735065964 LSJZGQNAFDJPTR-ZJUUUORDSA-N 195.306 2.503 30 20 AFED C[C@H]1OCCC1=NOC1CCCCC1 777458929 LFNXNVGEEJBFEU-SECBINFHSA-N 197.278 2.501 30 20 AFED C=CCCCCOC(=O)c1ccoc1 811010280 PDIOVDQZYXHAKG-UHFFFAOYSA-N 194.230 2.793 30 20 AFED C=C(C)CN(C)CC1CC(F)(F)C1 828738089 OYSPWMOHIORKCT-UHFFFAOYSA-N 189.249 2.540 30 20 AFED C=C(Cl)Cn1cc(C(C)C)cn1 853729364 TYCYSXBIWJYERY-UHFFFAOYSA-N 184.670 2.759 30 20 AFED C=C(C)CCC(=O)N[C@H](CC)C1CC1 1262632345 GWJJBCGNPAHBNL-LLVKDONJSA-N 195.306 2.648 30 20 AFED Cc1cccc(CC(C)(C)C=O)c1 34156587 OZGQYEVKWKGACN-UHFFFAOYSA-N 176.259 2.763 30 20 AFED N#CCCCCNc1ccc(C#N)cc1 49578377 BCIRBKIHXPZGBX-UHFFFAOYSA-N 199.257 2.664 30 20 AFED C#C[C@H](C)N[C@@H](CCC)CCC=C 308370610 QASKTWPGXRBPPQ-RYUDHWBXSA-N 179.307 2.733 30 20 AFED C=CC[C@@H](CC)Nc1ncc(C)cn1 308472452 ACRAINLPDYHQBE-SNVBAGLBSA-N 191.278 2.552 30 20 AFED C#C[C@H](C)NC[C@H]1CCC[C@@H](CC)C1 308627942 XNTCWMNGSUIKDF-XQQFMLRXSA-N 193.334 2.814 30 20 AFED C#C[C@@H](C)N(C)CCCCCC 379328276 OPXXCAAYCULZRL-LLVKDONJSA-N 167.296 2.520 30 20 AFED CSCCON=C1CC[C@@H](C)C1 382144911 NMYAXTSUFNLANE-MRVPVSSYSA-N 187.308 2.542 30 20 AFED CC[C@H]1CC[C@@H]1NCC(C)(C)CC#N 590970502 XZUDNQKZYKOTFA-QWRGUYRKSA-N 194.322 2.704 30 20 AFED C[C@@H](CCC#N)N1CCC2(CC1)CC2 591022133 VTSVQMLJMYIGOI-NSHDSACASA-N 192.306 2.555 30 20 AFED C=CCNC(=O)[C@H](C)CC1CCCC1 603853650 IQYGJIJSYLPHFS-SNVBAGLBSA-N 195.306 2.505 30 20 AFED C=CC[C@H]1CCCN(CCCF)C1 661381264 YUSRFKRMWAMDTK-NSHDSACASA-N 185.286 2.634 30 20 AFED CC(C)ON=C[C@@H]1CC1(Cl)Cl 853354099 VKCXWTXZAOMYMF-LURJTMIESA-N 196.077 2.591 30 20 AFED C=CCN[C@H](C)c1ccc(OC)cc1 19875851 OYQCKGKVYUWEOW-SNVBAGLBSA-N 191.274 2.532 30 20 AFED C[C@H](S)c1ccccc1[N+](=O)[O-] 86895312 MWQRSCPULJHITA-LURJTMIESA-N 183.232 2.586 30 20 AFED C=CCCCN[C@H](C)C(C)(C)C 132922827 ROOANQBILZCNMN-SNVBAGLBSA-N 169.312 2.977 30 20 AFED C=CC[C@H]1CC(=O)CC[C@H]1C 218508491 KLJXNRJRFXNLFT-BDAKNGLRSA-N 152.237 2.568 30 20 AFED CC#CCNc1cccc(C)c1F 300785948 WYXKMOCDCUORCA-UHFFFAOYSA-N 177.222 2.569 30 20 AFED C=CCN1CC[C@@H](C)C[C@H](C)C1 306531872 LDBVCTITKNSPSB-MNOVXSKESA-N 167.296 2.540 30 20 AFED CC#CCOc1cccc(Cl)c1F 306698506 XKDHZVHXTHVFBX-UHFFFAOYSA-N 198.624 2.881 30 20 AFED C=CC[C@H](C)[C@H]1CCCC[C@@H]1O 307576714 KNBJQMVXKBZXMR-AXFHLTTASA-N 168.280 2.750 30 20 AFED C=C(Cl)CN(C)CC(C)(C)C 307686346 KBTYPENSTFMBQQ-UHFFFAOYSA-N 175.703 2.717 30 20 AFED CC[C@H](C)[C@@H](C)C1(C=O)CC1 307702067 OMNQPYJWMXTWBR-DTWKUNHWSA-N 154.253 2.648 30 20 AFED C=C[C@H](C)N[C@@H]1CS[C@@H](C(C)C)C1 308130995 AXVHZYRMIHVVIO-GARJFASQSA-N 199.363 2.681 30 20 AFED C=CCC[C@H](C)N[C@@H]1CSC[C@H]1C 308321005 BDTLRWZLQAZDJV-OUAUKWLOSA-N 199.363 2.682 30 20 AFED C=CCC[C@@H](C)NC[C@@H](OC)C(C)C 308506002 IRZJJGSDXJLKDN-VXGBXAGGSA-N 199.338 2.602 30 20 AFED C=CCCCC[C@@H](C)N[C@@H](C)COC 379570914 HCEUBDKTWBURPJ-NEPJUHHUSA-N 199.338 2.746 30 20 AFED C#C[C@H](CC)N[C@@H](CC)C1CCCC1 387461429 PWQJDWXXTJAZNL-OLZOCXBDSA-N 193.334 2.957 30 20 AFED C=CCCN[C@@H](C)c1cncc(C)c1 658114788 QZPLLVWEECZYNK-NSHDSACASA-N 190.290 2.617 30 20 AFED C=CCN(CCOC(C)(C)C)C(C)C 744195618 LYGBQEPSTNMNDK-UHFFFAOYSA-N 199.338 2.698 30 20 AFED C=CCCCC(=O)N[C@@H]1CCC[C@@H]1C 748310764 SCMLCLHALKFZKU-WDEREUQCSA-N 195.306 2.648 30 20 AFED CC(=NNC1CC1)C1C(C)(C)C1(C)C 758129982 SHDFHPWNTSKCDO-UHFFFAOYSA-N 194.322 2.797 30 20 AFED C[C@@H]1CC[C@@H](C=NNC2CCCC2)C1 800811758 IFZVAOVGJPRBIS-GHMZBOCLSA-N 194.322 2.941 30 20 AFED COCCC(C)=NNc1ccccc1 814684026 AMRIDTSIEVTCQT-UHFFFAOYSA-N 192.262 2.511 30 20 AFED CC[C@H](C)CC=NNCC(F)(F)F 834969207 LHLDRNYWRGUGOB-ZETCQYMHSA-N 196.216 2.560 30 20 AFED CCOCCON=C(CC)C1CCC1 834969734 PTXAPNXCAIPDEV-UHFFFAOYSA-N 199.294 2.606 30 20 AFED C#CCNN=C1CCC[C@H]1CCCC 835008336 YIHFCXKGLYKQCY-LLVKDONJSA-N 192.306 2.556 30 20 AFED C=C(CC)CNC(=O)C(C)=C1CCC1 837100623 IKOBUUQVTREFBQ-UHFFFAOYSA-N 193.290 2.569 30 20 AFED Cc1cc(OCC(C)C)ccc1C#N 71453494 HIHCKVYLICHUGP-UHFFFAOYSA-N 189.258 2.902 30 20 AFED N#Cc1cccc(Nc2ccccc2)n1 81615720 IGUPOMXUFNZTRP-UHFFFAOYSA-N 195.225 2.697 30 20 AFED CC[C@H](C)[C@@H](C)NCC1(CC#N)CC1 83853932 YCYFDBHYHCGFEG-WDEREUQCSA-N 194.322 2.704 30 20 AFED C#CCCCCC(=O)OC(C)(C)C 201512891 PIJKJMIRAIEIJL-UHFFFAOYSA-N 182.263 2.522 30 20 AFED Cc1ccnc(-c2cccc(C#N)c2)c1 222692034 RRHCMVRGMCGQLH-UHFFFAOYSA-N 194.237 2.929 30 20 AFED C[C@H]1CC[C@@H](C)[C@H](C)[C@@H]1C=O 252146176 NYGDAMFBVDZLOR-XFWSIPNHSA-N 154.253 2.504 30 20 AFED CCCC(C)=NOC(C)(C)C 307899281 LTMBYTNIQFBWTN-UHFFFAOYSA-N 157.257 2.978 30 20 AFED C#CCCCN[C@]1(C)CCCC[C@H]1C 308706313 JDCQROXBPXSHLA-CHWSQXEVSA-N 193.334 2.958 30 20 AFED C=C[C@H](C)NC(=O)C1CCCCCC1 336509065 PIFQPOBBYVHXME-JTQLQIEISA-N 195.306 2.648 30 20 AFED C[C@H]1SCCC1=NOCCC1CC1 382110056 KADJSCNHSZQEGX-MRVPVSSYSA-N 199.319 2.685 30 20 AFED C=C(C)CN(C)C(=O)[C@@H](C)[C@@H](C)CC 679497987 RBIAXSHOSPOJEO-QWRGUYRKSA-N 197.322 2.703 30 20 AFED C=CCON=C1CCC[C@H](C)C1 835011433 JPGZHAPYTZKRAI-VIFPVBQESA-N 167.252 2.755 30 20 AFED CC[C@@H]1CCCCC1=NN1CCC1 872397523 SIDSHGDEHOTIOM-SNVBAGLBSA-N 180.295 2.648 30 20 AFED C=CC1(OC(=O)[C@H]2CC[C@H](C)C2)CC1 893364566 YBIPDPPQGXOEDE-UWVGGRQHSA-N 194.274 2.684 30 20 AFED C#CCN[C@@H](CC)c1ccc(C)cc1 19875596 GQXSJRYBRZWKID-ZDUSSCGKSA-N 187.286 2.669 30 20 AFED C=C(CC)C[C@H]1CCC[C@H]1O 85064535 YZWRTDWJWGRGBK-NXEZZACHSA-N 154.253 2.504 30 20 AFED C=C(C)CCNC(C1CC1)C1CC1 168057724 MKHAEOVMPJYOKX-UHFFFAOYSA-N 179.307 2.731 30 20 AFED C=CCCC(=O)N(C(C)C)C(C)C 215915606 VWMQRNLIOUMVMT-UHFFFAOYSA-N 183.295 2.598 30 20 AFED C=CCSCCNCC(C)(C)C 222054923 KPBPLKAFUDJDRW-UHFFFAOYSA-N 187.352 2.541 30 20 AFED C=CCC[C@@H](C)NC[C@@H]1CCSC1 228551540 IUPYPLVKXMHBPS-MNOVXSKESA-N 199.363 2.684 30 20 AFED C=CCCCCCCNC(=O)/C=C/C 308472901 CINPKNVTIFYGAC-ONNFQVAWSA-N 195.306 2.815 30 20 AFED C=C(CC)COC(=O)[C@H](C)CC 379314199 MAKDACYLGSITFA-SECBINFHSA-N 170.252 2.542 30 20 AFED C#CCCCN[C@H]1CCCC12CCC2 394797519 KOHMOVWCYHXDLU-LBPRGKRZSA-N 191.318 2.712 30 20 AFED CC[C@@H](C)CN1CCC[C@@](C)(C#N)C1 612159398 ULPDEJWCGCWEQI-NEPJUHHUSA-N 194.322 2.658 30 20 AFED CC[C@H](C)CON=C1CCCOCC1 778601357 YJJPRXLVTVOPAC-JTQLQIEISA-N 199.294 2.606 30 20 AFED CC[C@H](C)CC=NNC1CCCC1 834954635 RVZLBZMQYXFHAZ-JTQLQIEISA-N 182.311 2.941 30 20 AFED C=CCCN[C@H](C)CSCCC 895330870 RIMVYJKRVKPHQY-SNVBAGLBSA-N 187.352 2.684 30 20 AFED C=CCCCNC(C)(C)CSC 934676317 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183.295 2.505 30 20 AFED CC[C@H]1CCCC[C@H]1S 39426988 SONDHPAXJRCAHJ-JGVFFNPUSA-N 144.283 2.885 30 20 AFED C=CCc1ccc2c(c1)CCC2=O 141769986 XUSYHZDYKUSGHB-UHFFFAOYSA-N 172.227 2.544 30 20 AFED C#C[C@@H](CC)N[C@H](C)CC1CCC1 229896849 NFOSUBBWRIMABU-PWSUYJOCSA-N 179.307 2.567 30 20 AFED CCC#C[C@H](C)N[C@@H]1CCCC1(C)C 306577550 VLLZFZLZPMWJDA-NWDGAFQWSA-N 193.334 2.957 30 20 AFED C#CC[C@]1(C=O)CCC[C@H](CC)C1 307559005 DZOWJHCVXNYNRD-RYUDHWBXSA-N 178.275 2.795 30 20 AFED C=CCNC(=O)[C@@H](CCC)CC(C)C 308013761 DEZTZRMNALPWSP-NSHDSACASA-N 197.322 2.751 30 20 AFED CCCCCCN[C@H]1CC[C@@H](C#N)C1 308727677 HMBFDEMBHHTPMU-NEPJUHHUSA-N 194.322 2.849 30 20 AFED CCCCCC=NNCC(C)C 379315895 VLKOWYCZVGHYCJ-UHFFFAOYSA-N 170.300 2.798 30 20 AFED CC[C@H](C)CN(C)[C@H]1CC[C@H](C#N)C1 590159610 GYXBKLSHEJLQTO-SRVKXCTJSA-N 194.322 2.657 30 20 AFED C=CCCC(C)(C)NC(=O)[C@@H](C)CC 620863271 MSQWQKRUFCPPBB-JTQLQIEISA-N 197.322 2.894 30 20 AFED C=CCCCC[C@@H](C)NCCOCC 648496120 RWZBBDQCPGNYHN-GFCCVEGCSA-N 199.338 2.747 30 20 AFED C=CCCN(C)C[C@H]1CC1(C)C 662343902 NPPSHDOPRJWNFB-SNVBAGLBSA-N 167.296 2.540 30 20 AFED C=CCCCC(=O)NC1(C(C)C)CC1 818360249 VEKFMROIYJCLMJ-UHFFFAOYSA-N 195.306 2.648 30 20 AFED CCCNN=C1C[C@H](C)CC[C@H]1C 834940529 HIRKMWJMMPOKIE-NXEZZACHSA-N 182.311 2.798 30 20 AFED C=CCNN=C1CCCCC[C@H]1C 844597157 SFFMMSGWENSKFU-SNVBAGLBSA-N 180.295 2.718 30 20 AFED C=CCON=C1CC2(CCCC2)C1 901249272 WJULZKQLXIUKSQ-UHFFFAOYSA-N 179.263 2.899 30 20 AFED CC(C)(C)[C@@H]1CCN(CCCC#N)C1 108304261 LCBSBOSBBXUFCH-LLVKDONJSA-N 194.322 2.658 30 20 AFED C=CCC[C@H](C)N[C@@H](CC)CC#N 131991759 RUGABRIIAIKXBE-QWRGUYRKSA-N 180.295 2.623 30 20 AFED C=CCCC[C@H](C)NCc1cc[nH]c1 133577408 PVFAWGWXYFIQSZ-NSHDSACASA-N 192.306 2.849 30 20 AFED C=CC[C@H](C)N[C@H](C)CCC 161648105 WVTLBPHXRQGBEJ-VHSXEESVSA-N 155.285 2.729 30 20 AFED C=C(C)CCN[C@@H](C)CC(C)C 168956778 PPPWZVVUMIODHK-NSHDSACASA-N 169.312 2.977 30 20 AFED C[C@H](C#N)CN[C@@H]1C[C@@H](C)CC[C@H]1C 252157713 PJTRTMGHBFEJNF-IRCOFANPSA-N 194.322 2.560 30 20 AFED C=C(CC)CNc1cccc(C)n1 306369292 LGHAJBGCUDEMHL-UHFFFAOYSA-N 176.263 2.768 30 20 AFED C=CCN1CC[C@@H]1c1ccccc1 306506521 VTRFFNJCSZRTNV-GFCCVEGCSA-N 173.259 2.619 30 20 AFED C=CCCN(C)C[C@@H]1CC=CCC1 308261389 MQWRTSDXSQKUQG-GFCCVEGCSA-N 179.307 2.851 30 20 AFED C=CCC[C@H](C)NCCCCC#N 308264743 PEUUENZROLVCFQ-NSHDSACASA-N 180.295 2.625 30 20 AFED C=CCCCOC(=O)/C=C/C=C\C 308310694 REILNRASYHPLIA-AACIIYHXSA-N 180.247 2.628 30 20 AFED C=C(CC)COC(=O)CC(C)(C)C 308312509 SGMKDDZVFKSFJQ-UHFFFAOYSA-N 184.279 2.932 30 20 AFED C=C(C)COC(=O)CCC1CCC1 308335164 NOBXKGGSRPDAPP-UHFFFAOYSA-N 182.263 2.686 30 20 AFED C[C@@H](C#N)Nc1cccc2c1ccn2C 309110203 JIQPZKKEGHLQRP-VIFPVBQESA-N 199.257 2.502 30 20 AFED C=CCCC(=O)N1[C@@H](C)CCC[C@@H]1C 334804315 ZUCZSXIHCSROPX-QWRGUYRKSA-N 195.306 2.742 30 20 AFED CC(C)C(C(C)C)[C@H]1C[C@@H]1C=O 521400095 ANJLDMLUMFYOST-ZJUUUORDSA-N 168.280 2.750 30 20 AFED C=CCNC(=O)[C@H](CCCC)C(C)C 621271621 OGOAZKZNJJNFPT-LLVKDONJSA-N 197.322 2.751 30 20 AFED C=C(CC)CN(CCOC)CC(C)C 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182.311 2.798 30 20 AFED CC/C=C\CN[C@@H]1CCC[C@H](C#N)C1 590658899 MKILZTCMGFFCHU-RRNNCXACSA-N 192.306 2.625 30 20 AFED C=CCCc1noc(C(C)(C)CC)n1 651357665 JNOWNGGQUSBBRT-UHFFFAOYSA-N 194.278 2.876 30 20 AFED C=C(C)CCNC1CC2(CCC2)C1 656635593 NTFDJQFSSGVOSD-UHFFFAOYSA-N 179.307 2.875 30 20 AFED CC#CCCN1C[C@@H](C)C[C@@H]1CC 680884579 IWYMJGLDMRYCQO-RYUDHWBXSA-N 179.307 2.520 30 20 AFED C=CCCC(=O)NC[C@H]1CC[C@@H](C)C1 684512569 GRTZGYVATALDCP-MNOVXSKESA-N 195.306 2.505 30 20 AFED C#CCN(CC)CCC1CCCCC1 749155701 YUZWXVHOLXXTIR-UHFFFAOYSA-N 193.334 2.912 30 20 AFED CCON=C[C@@H](C)c1ccc(F)cc1 756882325 VDNRHBFYULBWRP-SECBINFHSA-N 195.237 2.952 30 20 AFED CON=Cc1c(C)oc2ccccc12 758098743 UYIPZVDMOKSQPY-UHFFFAOYSA-N 189.214 2.722 30 20 AFED CC(=NOC1CCC1)[C@]1(C)CCCO1 812237058 IOPOKONNOKFPBC-NSHDSACASA-N 197.278 2.501 30 20 AFED C=CCNN=C1CCCC12CCCC2 814927741 CLIMVRKSJBNUTH-UHFFFAOYSA-N 192.306 2.862 30 20 AFED C=C(C)[C@H](C)OC(=O)C1CC2(CC2)C1 850945738 IZEMWOPUJYJYJY-VIFPVBQESA-N 194.274 2.684 30 20 AFED C=C/C=C/CCNC[C@H](C)CCC#N 895541386 OCELCRGTQDWEFW-ZYOFXKKJSA-N 192.306 2.648 30 20 AFED C=CCN(C(=O)CCC(=C)C)C1CC1 1121038256 XZJVOGYXYHXKGK-UHFFFAOYSA-N 193.290 2.520 30 20 AFED C=C[C@H](CC)CC(=O)O[C@H](C)C=C 1343397312 UAGCNJPLZKCTEJ-NXEZZACHSA-N 182.263 2.706 30 20 AFED CCCCSc1cc(C#N)ccn1 36333053 KEGJDVUJGLOPKS-UHFFFAOYSA-N 192.287 2.845 30 20 AFED Oc1ccccc1/C=N\C1CCCC1 103010599 DGWQRKLVVLASKY-LCYFTJDESA-N 189.258 2.754 30 20 AFED C#C[C@@H](C)N[C@H](CC)c1ccccc1 135168978 ASEFSIRSKYOGCQ-DGCLKSJQSA-N 187.286 2.749 30 20 AFED C=CCCCCNC(=O)CCCC=C 238053393 LJVNSACZLNLMBD-UHFFFAOYSA-N 195.306 2.815 30 20 AFED C#CC[C@]1(C=O)CCC[C@@H](CC)C1 307559002 DZOWJHCVXNYNRD-NEPJUHHUSA-N 178.275 2.795 30 20 AFED C#C[C@H](C)N[C@@H](CCC)C1CCCC1 313396653 OUNIKXZKBLVISD-AAEUAGOBSA-N 193.334 2.957 30 20 AFED C=CCCCCSCC(C)=O 590726037 SRSUENQPRBUCOV-UHFFFAOYSA-N 172.293 2.665 30 20 AFED CC(C)(CC#N)CSc1ncco1 594898807 ABOXKIQIPQIHRT-UHFFFAOYSA-N 196.275 2.707 30 20 AFED CC[C@@H](NC[C@@H](C)CCC#N)C1CC1 602719096 WQLWGRILTNJVSV-CMPLNLGQSA-N 194.322 2.704 30 20 AFED C=CC1CCN(C[C@@H](C)CC)CC1 674866032 ZPAJXRRSYAUSSZ-NSHDSACASA-N 181.323 2.931 30 20 AFED C=CCCCC(=O)NC[C@@H]1CC1(C)C 748313349 DYZKYXMTXBDKMO-JTQLQIEISA-N 195.306 2.505 30 20 AFED C=CCNN=C1CCCC[C@@H]1C(C)C 794997914 CELAJLWEOXQEMN-LLVKDONJSA-N 194.322 2.964 30 20 AFED C#CCCCOC(=O)CCCC1CC1 812601106 MWFFKKPVJHQGDD-UHFFFAOYSA-N 194.274 2.523 30 20 AFED C[C@@H]1SCCC1=NOCC1CCC1 853441319 SCSDVYBJTKNXBW-QMMMGPOBSA-N 199.319 2.685 30 20 AFED C#CCN(CC1CC1)[C@H](C)CC(C)C 1325982175 SPCBRWWGEMBQBN-GFCCVEGCSA-N 193.334 2.766 30 20 AFED CCCCCCCN[C@@H](C)COC 59088674 PXHNSPZRKCEGDR-NSHDSACASA-N 187.327 2.581 30 20 AFED N#Cc1cc(Nc2ccccc2)ccn1 61814758 JJXJDWYMEIUELI-UHFFFAOYSA-N 195.225 2.697 30 20 AFED N#Cc1ccccc1OCCC1CC1 83926701 XAGCRMLSVAOVJM-UHFFFAOYSA-N 187.242 2.737 30 20 AFED CC(C)=CCC1(C=O)CCC1 116879764 DWZIKOBVSGHXAM-UHFFFAOYSA-N 152.237 2.712 30 20 AFED CC(C)(CCC#N)CN[C@H]1CC1(C)C 126700964 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C=C(C)CNC(=O)CCC(C)(C)C 300765598 DOPKQWBLHZGFHZ-UHFFFAOYSA-N 183.295 2.505 30 20 AFED C=C(C)C[C@]1(C)CCC[C@@]1(C)O 307354842 SFYNPRWGPVYGRO-WDEREUQCSA-N 168.280 2.894 30 20 AFED C=C(C)CCSC[C@@H](C)OC 307924734 PEGZFGGHOZFMNO-SECBINFHSA-N 174.309 2.721 30 20 AFED C=C1CCN(C(=O)C[C@H](C)CC)CC1 336544722 LTEXBMZJASFTLF-SNVBAGLBSA-N 195.306 2.601 30 20 AFED C=C(C)CNC1(CC)CCCC1 382557315 JDGYNAZMMNRYSL-UHFFFAOYSA-N 167.296 2.875 30 20 AFED C=CCCCCNC[C@H](C)CCC#N 602618487 IBCAAZAMPJJBPX-GFCCVEGCSA-N 194.322 2.872 30 20 AFED C=C(C)CN1C[C@H](C)C[C@@H]1CC 608752509 YAFNBXGHPROZED-MNOVXSKESA-N 167.296 2.683 30 20 AFED CCCC1CCC(N(C)CC#N)CC1 611267939 LHMYLMIINCCSEK-UHFFFAOYSA-N 194.322 2.801 30 20 AFED CCON=Cc1c(F)cc(C)cc1F 819803523 QPOVJMYTNFKZAK-UHFFFAOYSA-N 199.200 2.644 30 20 AFED C#Cc1cccc(CNC2CC(C)C2)c1 825226630 KZRONFPFKGBFIH-UHFFFAOYSA-N 199.297 2.556 30 20 AFED C=C(C)COC(=O)C1CC2(CCC2)C1 830630576 LQAMWMHGDCWXGY-UHFFFAOYSA-N 194.274 2.686 30 20 AFED CO[C@@H](C=NOC(C)C)C1CCCC1 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C=CCC(C)(C)C(=O)NCC(=C)CC 654373067 PRMHZEKPLZWWHW-UHFFFAOYSA-N 195.306 2.671 30 20 AFED C=C(CC)COC(=O)C[C@H](C)C1CC1 773499462 RYSDXLCABRUJKZ-JTQLQIEISA-N 196.290 2.932 30 20 AFED CCOC1CC(=NOC2CCCC2)C1 814895483 YABZNVLJUFXIRI-UHFFFAOYSA-N 197.278 2.501 30 20 AFED C=C(C)C(C)(C)C(=O)OCCC1CC1 820146035 ZDGFSLZNRKKESV-UHFFFAOYSA-N 196.290 2.932 30 20 AFED C#Cc1ccc(CNC/C=C/CC)cc1 824709155 NUYVPQNZIVTTIA-AATRIKPKSA-N 199.297 2.724 30 20 AFED C=C[C@@H](C)ON=Cc1cccc(C)c1 844623323 MBRZTMOXADKJLA-LLVKDONJSA-N 189.258 2.920 30 20 AFED CC1=CC(=NOCC2CCC2)CC1 853440151 VGHMDHIUBAQDGS-UHFFFAOYSA-N 179.263 2.899 30 20 AFED C=CC(C)(C)CC(=O)NCC(=C)CC 880241140 SZVWVIMIHHUEPY-UHFFFAOYSA-N 195.306 2.671 30 20 AFED C#CC(C)(C)NCC1CCCCC1 69679737 SRCVAUZUKVZZJC-UHFFFAOYSA-N 179.307 2.568 30 20 AFED CC(C)CCN(CCCC#N)C1CC1 107812542 ZQQDLZUWCNUQGG-UHFFFAOYSA-N 194.322 2.801 30 20 AFED C=CCCN[C@@H]1C[C@H](C)CC[C@@H]1C 168543272 PBOUFGNPFDUUTP-GRYCIOLGSA-N 181.323 2.977 30 20 AFED C=CCON=C1CCCCCC1 196434515 QPPTYBKECGTQBE-UHFFFAOYSA-N 167.252 2.899 30 20 AFED C=CCCCCCSCCCO 236504322 LXZQSYSHBUVWPO-UHFFFAOYSA-N 188.336 2.848 30 20 AFED C#C[C@@H](C)N[C@@H](C)CC1CCCC1 308280866 WYUKTFRMESSOFO-MNOVXSKESA-N 179.307 2.567 30 20 AFED CON=CCC[C@H]1C[C@H]2CC[C@H]1C2 308362527 MRCWTLMLCABVDS-VWYCJHECSA-N 181.279 2.835 30 20 AFED C=CCCN(C)C(=O)OC1CCCC1 308480090 MKRSPFCCZXNDLZ-UHFFFAOYSA-N 197.278 2.574 30 20 AFED C#CCN[C@H]1CCCC[C@@H]1CCC 379394152 WOFMWMINPPTRJL-RYUDHWBXSA-N 179.307 2.568 30 20 AFED CCc1csc(SCCC#N)n1 383041006 MPWIXPMGQTULIH-UHFFFAOYSA-N 198.316 2.711 30 20 AFED CCC(=NOC(C)(C)C)C1CC1 388383499 VRKIYHAFCFDAKR-UHFFFAOYSA-N 169.268 2.978 30 20 AFED C#CCCCN(C)C1CC(C)(C)C1 395469994 UTUYPADDVNTNBT-UHFFFAOYSA-N 179.307 2.520 30 20 AFED C=CCCN(C)C[C@@H](C)CC 606897566 PHPGUBCEIVHAJJ-JTQLQIEISA-N 155.285 2.540 30 20 AFED C=C(C)CN1CCC[C@@H](C)[C@H]1C 607740685 KPRWDLXMILISRM-GHMZBOCLSA-N 167.296 2.683 30 20 AFED C=CCCCCOC(=O)[C@@H](C)C1CC1 811014050 OPKLLJCMNWZTTO-JTQLQIEISA-N 196.290 2.932 30 20 AFED C(CC1CC1)ON=C1CC[C@H]1C1CC1 814941482 ZQWULWGJDYMQRU-NSHDSACASA-N 193.290 2.979 30 20 AFED C=CCN(c1ccccc1)C1CC1 832152995 NINROYPVNCKMNU-UHFFFAOYSA-N 173.259 2.841 30 20 AFED CC(C)C(=O)O[C@H](C)CC(C)(C)C#N 851213670 SVARBOAALOYGOJ-SECBINFHSA-N 197.278 2.514 30 20 AFED Cc1nc(C=NOC(C)C)sc1C 901249907 KXJPPHVWPGBGRP-UHFFFAOYSA-N 198.291 2.519 30 20 AFED C=CC[S@@](=O)c1cc(C)ccc1C 905162147 JPPWOWIUWOYPFR-CYBMUJFWSA-N 194.299 2.597 30 20 AFED C=CC[C@H]1CCCCC[C@H]1O 43658804 CKHYCTLDSDNDNT-VHSXEESVSA-N 154.253 2.504 30 20 AFED N#CCCCCNCc1ccsc1 63152672 JECUUPGOMVGLHE-UHFFFAOYSA-N 194.303 2.532 30 20 AFED CCCCN(CC#N)C1CCCC1 70212535 JUPFNEVJAVYBIJ-UHFFFAOYSA-N 180.295 2.555 30 20 AFED CC1(C)CCC[C@H]1NCCCCC#N 86874866 LUQILJYMJMDTFO-LLVKDONJSA-N 194.322 2.849 30 20 AFED C=C[C@H](C)Nc1nc2ccccc2o1 130639412 DFUFWQXUOMAZPG-QMMMGPOBSA-N 188.230 2.814 30 20 AFED C=C(C)CNC(=O)CC1CCCCC1 160664070 OBOCVLRNRAODEZ-UHFFFAOYSA-N 195.306 2.649 30 20 AFED CC(C)(C)C#Cc1ccc(CN)cc1 217542957 MVNXOZRATOSEPT-UHFFFAOYSA-N 187.286 2.543 30 20 AFED C#CCCC[C@]1(C)CCC[C@]1(C)O 306220933 ITQMIQNUDCSSKV-NEPJUHHUSA-N 180.291 2.731 30 20 AFED CC[C@H](C)NN=C1CC2(CCC2)C1 307508241 BWKPADUODKFACK-VIFPVBQESA-N 180.295 2.695 30 20 AFED C=CCN(CC=C)Cc1ccsc1 308339365 QAQACOZONRHRAR-UHFFFAOYSA-N 193.315 2.922 30 20 AFED C=CCC[C@H](C)N[C@H]1CCS[C@H]1C 379390835 SFSNRULDLHPKKF-DCAQKATOSA-N 199.363 2.825 30 20 AFED C[C@H](CCC#N)N[C@@H]1CCCC1(C)C 389257389 FIBSHJMXYXDXAJ-GHMZBOCLSA-N 194.322 2.847 30 20 AFED C=C(C)CN(C)C(=O)[C@H](C)[C@H](C)CC 679497984 RBIAXSHOSPOJEO-GHMZBOCLSA-N 197.322 2.703 30 20 AFED C#CCN(CC)C/C=C\c1ccccc1 749160462 XWUZTMBCPDMZDU-FLIBITNWSA-N 199.297 2.655 30 20 AFED CC[C@@H](C)C=NNc1ncccc1F 794980220 HFVPWORQZMLRMU-MRVPVSSYSA-N 195.241 2.665 30 20 AFED COC1CCC(=NOC2CCC2)CC1 812235555 XAHLGZDTQMVNMD-UHFFFAOYSA-N 197.278 2.501 30 20 AFED C=C(Cl)CN1C[C@H](C)[C@@H](C)[C@@H]1C 842166125 IJLMHLLMCQQPJG-SFGNSQDASA-N 187.714 2.715 30 20 AFED C=CCOC(=O)C[C@@H]1CCCC[C@H]1C 920727981 UYAHKZAXCYOTFX-MNOVXSKESA-N 196.290 2.932 30 20 AFED Cc1cc(C#N)ccc1OCC1CC1 37733039 WDTIFFMDFNKABY-UHFFFAOYSA-N 187.242 2.656 30 20 AFED C#CCN(C)C1CCC(CC)CC1 42516746 VKLSNSOFDGYAAU-UHFFFAOYSA-N 179.307 2.520 30 20 AFED CC[C@@](C)(C=O)c1ccccc1 75545409 KBFGOKRNYRGJCI-NSHDSACASA-N 162.232 2.553 30 20 AFED C#CCCCCN[C@H](C(C)C)C1CC1 130755658 FIJWWRJGWBMSPW-CYBMUJFWSA-N 193.334 2.814 30 20 AFED N#CCc1coc2ccc(F)cc12 137925729 MMCIQOFFSZZKGF-UHFFFAOYSA-N 175.162 2.638 30 20 AFED C=C(C)CNC(=O)CCC1CCCC1 160662700 DPQOYURPNPVFDY-UHFFFAOYSA-N 195.306 2.649 30 20 AFED CC#CCNc1cc(F)ccc1Cl 224838403 ZNWBVUHQCDNUQC-UHFFFAOYSA-N 197.640 2.914 30 20 AFED C#CCCS[C@@H](C)C(C)C 228662548 NWEDGCSYVUFZNS-VIFPVBQESA-N 156.294 2.787 30 20 AFED C=CC[C@H](C)N[C@H]1CC[C@@H]1C1CC1 308169461 YWJPHTKGVUTLPP-WCQGTBRESA-N 179.307 2.729 30 20 AFED C=C[C@](C)(CC)C(=O)OCC(C)C 379404183 RBCZOXIUWSLPTG-LLVKDONJSA-N 184.279 2.788 30 20 AFED C=CCCC(C)(C)NC(=O)C=C(C)C 717883792 XYVIHGIBSLALGY-UHFFFAOYSA-N 195.306 2.814 30 20 AFED C=CCCOC(=O)[C@@H]1CCC[C@H](C)C1 744049134 JCROZUXUPSWETC-WDEREUQCSA-N 196.290 2.932 30 20 AFED C#CCCCN1CCC[C@H]1C(C)(C)C 766895514 KUZMONHKBIXLNX-LBPRGKRZSA-N 193.334 2.910 30 20 AFED C(=NOC1CCCCC1)c1cc[nH]c1 777457369 RFBYXUNOXRXXGN-UHFFFAOYSA-N 192.262 2.698 30 20 AFED CCCON=C[C@@H]1CC[C@H](C)C1 842551435 QTQCXOFXARXWQF-VHSXEESVSA-N 169.268 2.835 30 20 AFED Clc1ccc(NN=CC2CC2)nc1 853437297 JKLNVTJVLSHMRW-UHFFFAOYSA-N 195.653 2.543 30 20 AFED CCCCN(O)C(=O)CCC1CCC1 904210097 FXHJWHBYTYCYJU-UHFFFAOYSA-N 199.294 2.585 30 20 AFED C=C(C)CCC(=O)N[C@@]1(C)CC1(C)C 1337503904 SPUPSUUVFULVJW-LBPRGKRZSA-N 195.306 2.648 30 20 AFED N#Cc1ccc(SCC(F)F)cc1 214155766 RXARSYCQYHSPSS-UHFFFAOYSA-N 199.225 2.915 30 20 AFED Cc1cc(-c2cccc(C#N)c2)ccn1 219304993 OREPSQXUZOONJQ-UHFFFAOYSA-N 194.237 2.929 30 20 AFED CC[C@@](C)(C=O)C/C=C/Cl 306418154 ZTVYXTGGTMRFJX-YZCDNWJKSA-N 160.644 2.744 30 20 AFED CCC(C)=NOC[C@@H](C)CC 307871073 LJJYGNHYCGISHK-QMMMGPOBSA-N 157.257 2.835 30 20 AFED C=C(Cl)CN(C)CCC(C)C 393660271 IRXQZADHJNEOQT-UHFFFAOYSA-N 175.703 2.717 30 20 AFED Cl/C=C/CON=C1C[C@H]2CC[C@H]1C2 393903389 JBOPOGPXEVCPFI-UVAXXVDDSA-N 199.681 2.932 30 20 AFED C=CCSCc1ccc(C)nc1 594559682 TUDPKNILHWRQQY-UHFFFAOYSA-N 179.288 2.809 30 20 AFED C=CCC1(NC(=O)C(C)C)CCCC1 619115095 UYHOKIMHGPCRNA-UHFFFAOYSA-N 195.306 2.648 30 20 AFED COC[C@@H](C)C(C)=NOC1CCCC1 777890318 PPAWJJFLSQRWRY-SECBINFHSA-N 199.294 2.604 30 20 AFED C=CCCC(=O)OCC(C)(C)C=C 835725407 ZZUMFNCSSZMZOP-UHFFFAOYSA-N 182.263 2.708 30 20 AFED CCC(=NNCC(C)C)[C@H]1C[C@H]1C 841631568 OKFKYEAJXPZQFD-ZJUUUORDSA-N 182.311 2.654 30 20 AFED C=CC(C)(C)CC(=O)O[C@@H](C)CC 884650502 MCLYXSLNPQJWNZ-VIFPVBQESA-N 184.279 2.930 30 20 AFED C=CCN[C@@H]1CCC[C@@H](C)[C@H]1C 49799965 TYHBEAAAFJXSQK-GMTAPVOTSA-N 167.296 2.587 30 20 AFED C=CCOC(=O)c1cc(C)cc(C)c1 218353662 UVHAWDBMFNWAHF-UHFFFAOYSA-N 190.242 2.646 30 20 AFED C=CCSCCN[C@@H](C)C(C)C 221947510 VKXJEADZFNKNRR-JTQLQIEISA-N 187.352 2.540 30 20 AFED CC#CCC[C@@]1(C=O)CC[C@@H](C)C1 306312040 DBTXQYWWLIJFSR-VXGBXAGGSA-N 178.275 2.795 30 20 AFED CC(=NOC1CCC1)C(C)C 307909902 VNNKFETXGBDDCW-UHFFFAOYSA-N 155.241 2.587 30 20 AFED C=CCCN(CCCC)C1CC1 308042483 NZDBGKXQOLQPTQ-UHFFFAOYSA-N 167.296 2.827 30 20 AFED C=C(CC)COC(=O)C=C1CCC1 308295051 JOZFVAZYZIOPCV-UHFFFAOYSA-N 180.247 2.606 30 20 AFED CCC#C[C@@H](C)N(CC)CCCC 308366058 OAGFFHMEZJPBGP-GFCCVEGCSA-N 181.323 2.910 30 20 AFED C=CCN[C@H](C)[C@@H](C)c1ccccc1 308670186 UVRQESGBPIIDNK-VXGBXAGGSA-N 189.302 2.954 30 20 AFED C=CCCC(=O)N1[C@@H](C)CCC[C@H]1C 334804311 ZUCZSXIHCSROPX-PHIMTYICSA-N 195.306 2.742 30 20 AFED C#CCCN[C@H]1CCC[C@@H]1CCCC 389359031 RLLVIFUJOANURD-STQMWFEESA-N 193.334 2.958 30 20 AFED CC[C@@H](NCC(C)(C)CC#N)C1CC1 591243075 MXRFDKBANPCBMU-LLVKDONJSA-N 194.322 2.704 30 20 AFED C=CCCSCCNC[C@H]1C[C@H]1C 597185403 UXHDVNNIQAFLCT-GHMZBOCLSA-N 199.363 2.541 30 20 AFED C=CCCC(C)(C)NC(=O)C1CCC1 620863791 CEDWBCKQBUNNOF-UHFFFAOYSA-N 195.306 2.648 30 20 AFED C=CCCN(C)C[C@@H]1CC1(C)C 662343900 NPPSHDOPRJWNFB-JTQLQIEISA-N 167.296 2.540 30 20 AFED C=CCNC(=O)C(C)(C)C1CCCC1 677413287 QHMYKRACCNJLJD-UHFFFAOYSA-N 195.306 2.505 30 20 AFED CCCCCCC(=O)O[C@H](C#N)CC 753422366 SMFKJEYPSZTSEZ-JTQLQIEISA-N 197.278 2.802 30 20 AFED CC(C)C[C@@H](C)OC(=O)CCCC#N 813062569 CDTSWNKNVDHLLS-SNVBAGLBSA-N 197.278 2.658 30 20 AFED C=CCON=CCCc1ccccc1 835012060 QDZAWUXHQSKIJF-UHFFFAOYSA-N 189.258 2.808 30 20 AFED C[C@H](CCC#N)CN[C@@H]1CC[C@@H](C)C1 877458782 CXQKGGYOQXOCQC-IJLUTSLNSA-N 194.322 2.704 30 20 AFED CC(=O)/C=C/c1ccc(C)s1 39258562 JFIKTYJLTAXRNJ-HWKANZROSA-N 166.245 2.659 30 20 AFED C=CCCNc1c(F)cccc1F 70591511 FYPLWTXBLMIWFN-UHFFFAOYSA-N 183.201 2.953 30 20 AFED C=C(C)CN1CCCC[C@@H](C)C1 306536075 QGPGEISDDTVCDQ-LLVKDONJSA-N 167.296 2.685 30 20 AFED C#CCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 306855701 WFKWKMATNUKIAI-YPMHNXCESA-N 191.318 2.520 30 20 AFED C=CCCNc1ccnc(CC)c1 307771967 OEIUTXAPUNTQGK-UHFFFAOYSA-N 176.263 2.632 30 20 AFED C=C(C)CSCCOCC(C)C 308112219 KPUXCTWAJRIEAD-UHFFFAOYSA-N 188.336 2.968 30 20 AFED C=C(C)CN(CC)C[C@@H]1CCSC1 308240841 SOERRGIKJVNBPM-NSHDSACASA-N 199.363 2.638 30 20 AFED CC[C@H](C)NN=C[C@@H]1CC=CCC1 308422344 PCGWOJJGFGVRFQ-WDEREUQCSA-N 180.295 2.717 30 20 AFED C#C[C@H](C)NCC(CC)(CC)CC 379356939 PVFNXEDRQGHVJD-NSHDSACASA-N 181.323 2.814 30 20 AFED CC[C@H]1CCCN1C[C@@H](C)CCC#N 602449116 MYJKADYDDWTVMJ-RYUDHWBXSA-N 194.322 2.801 30 20 AFED C=C(C)CN(C#N)c1ccccc1F 619622608 YMFWKFFFUJKAQH-UHFFFAOYSA-N 190.221 2.689 30 20 AFED C=CCN(C(=O)C1CCC1)C(C)(C)C 622942509 ORVDFEFWCPLLQL-UHFFFAOYSA-N 195.306 2.600 30 20 AFED C=CCCC[C@@H](C)NC(=O)[C@H](C)CC 678881341 GRZSEIUODVFLDF-GHMZBOCLSA-N 197.322 2.894 30 20 AFED C=CCCCNC(=O)[C@@H](CC)CCC 822551270 UCFUZOVIMIGQID-NSHDSACASA-N 197.322 2.895 30 20 AFED C#CC[C@@H](C)OC(=O)CCC1(C)CC1 1342872383 LGFFYCWOHZEILJ-SNVBAGLBSA-N 194.274 2.522 30 20 AFED C[C@@H]1CC[C@@H](NCCCC#N)[C@H](C)C1 69675722 ARNCHJWLOMTCTA-IJLUTSLNSA-N 194.322 2.704 30 20 AFED C#CCCOc1ccc(C)c(F)c1 226427911 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CC[C@@]1(C)CCN([C@@H](C)CCC#N)C1 591016086 TVEPCPLTBBICFS-RYUDHWBXSA-N 194.322 2.801 30 20 AFED C[C@H]1CC[C@@H](C)N1C[C@H](C)CCC#N 602487059 SPKJBFRXRLIZKN-UTUOFQBUSA-N 194.322 2.799 30 20 AFED C=CC[C@H](C)NC(=O)C1CCCCC1 604880701 BHNUUKNTNPJXRR-JTQLQIEISA-N 195.306 2.648 30 20 AFED C=C(CC)CNC(=O)[C@H](C)CCC 654375489 SCZKRWDDHBMZAD-SNVBAGLBSA-N 183.295 2.505 30 20 AFED C#CCON=C1C[C@@H](C)CC[C@@H]1CC 812233829 XTAJJEDULZHSJK-QWRGUYRKSA-N 193.290 2.838 30 20 AFED C=CC(C)(C)COC(=O)C(C)(C)C=C 835721431 JRJMWVUIHNUUII-UHFFFAOYSA-N 196.290 2.954 30 20 AFED CC/C=C\CCON=CC1CC1 853735688 ZCNHQTZLCLTYPP-WTCRSNQBSA-N 167.252 2.755 30 20 AFED C[C@@H]1CCC[C@@H](N(C)CCCC#N)C1 42337995 ZZPQNKYISBIKOV-VXGBXAGGSA-N 194.322 2.801 30 20 AFED CC[C@@H](C)Sc1cccnc1C#N 59517644 WMRTVRGHTVBCEP-MRVPVSSYSA-N 192.287 2.844 30 20 AFED C=C(CC)CN[C@H](C)c1cccnc1 85057435 HYHKMWVFUVMYKX-LLVKDONJSA-N 190.290 2.698 30 20 AFED CC(C)(C)CCNCC1(CC#N)CC1 130019362 UWVNKNBNOKQSJK-UHFFFAOYSA-N 194.322 2.706 30 20 AFED C=C[C@@H](C)NCc1cccc(C)c1 130475687 QBYLPDNURBTNPP-LLVKDONJSA-N 175.275 2.659 30 20 AFED C#C[C@H](CC)N[C@H]1CCCC(C)(C)C1 229547296 WAZUSRBFTDOHKD-NEPJUHHUSA-N 193.334 2.957 30 20 AFED CC(C)(C)[C@H]1CCCC[C@H]1NCC#N 307754243 YOTGFGMWWWAGBH-WDEREUQCSA-N 194.322 2.704 30 20 AFED C=CCCCN1C[C@@H](C)S[C@H](C)C1 308320108 YAGUPFBGKZBTNE-GHMZBOCLSA-N 199.363 2.778 30 20 AFED N#Cc1ccccc1OCCCCF 308551352 SAEJXUPLXPMZJL-UHFFFAOYSA-N 193.221 2.687 30 20 AFED C=CCC(C)(C)CNC[C@@H]1C[C@H]1C 646226964 PDDVFFFFZLQGIX-MNOVXSKESA-N 181.323 2.834 30 20 AFED C=C(C)COC(=O)[C@]1(C)CCC[C@@H]1C 835078314 IMDSNUHYZDQBIL-CMPLNLGQSA-N 196.290 2.932 30 20 AFED CC[C@@H](C)COC(=O)C#CC(C)(C)C 838373008 RPOIKHPOYXQLEV-SNVBAGLBSA-N 196.290 2.625 30 20 AFED C#CCOCCSCCCCC 853019323 OBHXZBRCYDAFBW-UHFFFAOYSA-N 186.320 2.560 30 20 AFED C=CCCC(C)(C)NC(=O)/C(C)=C\C 856374273 UVIGZIBQZQWTMH-YFHOEESVSA-N 195.306 2.814 30 20 AFED C=CCCNC1CC2(CCCC2)C1 926686369 VIOJXHIWCJEAFT-UHFFFAOYSA-N 179.307 2.875 30 20 AFED C=CC(C)(C)CNC(=O)CCCCC 1324819477 GJZZUDPMNHINBT-UHFFFAOYSA-N 197.322 2.895 30 20 AFED C=C(Cl)CN[C@H]1CCC[C@@H]1CC 161755781 RUIVTSRXKWEGBI-UWVGGRQHSA-N 187.714 2.907 30 20 AFED C=CCC[C@H](C)NC[C@@H]1CCSC1 228551546 IUPYPLVKXMHBPS-QWRGUYRKSA-N 199.363 2.684 30 20 AFED C=CCCCC(=O)NC1CCCCC1 238051519 CGQPYFAWPJELNC-UHFFFAOYSA-N 195.306 2.792 30 20 AFED C#C[C@@H](N[C@@H](C)CCCC)C(C)C 300936568 OHVIZHCEJJEHES-NWDGAFQWSA-N 181.323 2.813 30 20 AFED C=C(Cl)CN1CCC[C@H]1C1CC1 307225266 UGJMUOAWHLGIQP-JTQLQIEISA-N 185.698 2.613 30 20 AFED CCCCC[C@@H]1CCCN1CC#N 308222283 LSTQSPGLIWWZNW-LLVKDONJSA-N 180.295 2.555 30 20 AFED C=C[C@H]1CCCCN1CCSCC 308260388 MCZNIJCFJMNAMS-NSHDSACASA-N 199.363 2.780 30 20 AFED CCCCNN=C(C(C)C)C1CC1 308375615 RYTABLKFTXUFKG-UHFFFAOYSA-N 182.311 2.798 30 20 AFED C=CCCOCCN[C@H](C)C(C)(C)C 308570548 JXSIQECIKGZORZ-LLVKDONJSA-N 199.338 2.603 30 20 AFED C=C(C)CNC(C(C)C)C(C)C 379328871 RNQLPCOECMAVHH-UHFFFAOYSA-N 169.312 2.833 30 20 AFED Clc1ccc(C=NOCC2CC2)o1 393484592 LXQSPIIXGBJDKQ-UHFFFAOYSA-N 199.637 2.694 30 20 AFED C#C[C@@](C)(CC)NCCCCC 395185325 UJPCZAKETGKDON-NSHDSACASA-N 167.296 2.568 30 20 AFED CCN(CCC1CCC1)C[C@@H](C)C#N 398780321 OOAWXNKCXGWBAE-NSHDSACASA-N 194.322 2.658 30 20 AFED C=CCN(CCC#N)CC/C=C/CC 590002935 MUYQISMWXWATEC-AATRIKPKSA-N 192.306 2.744 30 20 AFED C=CCSCc1conc1CC 594559755 WTOVQZGZEARBQI-UHFFFAOYSA-N 183.276 2.656 30 20 AFED C=CCN(C)CCC1=CCCCC1 649455728 OPTRKDYLMSGLBC-UHFFFAOYSA-N 179.307 2.995 30 20 AFED C=CCNCc1cccc(CC)c1 651780657 PGVNLRYYAAEYMC-UHFFFAOYSA-N 175.275 2.525 30 20 AFED C=CCCN[C@@H]1CCC[C@H]1C(C)C 658116740 ONNXSWDQGNWBSQ-NWDGAFQWSA-N 181.323 2.977 30 20 AFED C=CCCN(C)C(=O)[C@@](C)(C=C)CC 682427518 WYNPJJQWNJJOFC-LBPRGKRZSA-N 195.306 2.623 30 20 AFED C1CC(=NNC2CC2)C[C@@H](C2CC2)C1 758125675 ADVVODOFNYMTEJ-JTQLQIEISA-N 192.306 2.695 30 20 AFED C#CCCN(C)c1cccc(C)c1C 760818669 IXRGRGVLCVGGAN-UHFFFAOYSA-N 187.286 2.763 30 20 AFED C=CCCCCNC(=O)/C=C/C=C\C 770081133 FFXLESSZEFQNGR-YUFRWXHNSA-N 193.290 2.591 30 20 AFED CC[C@@H](C)NN=C/C=C\c1ccco1 790191488 ZEEGPBBSTKKFMU-ZBIIDYMOSA-N 192.262 2.667 30 20 AFED CC[C@@H](C)CON=C1CCC[C@H]1F 872377735 ZYSLFVCIDZRTPO-RKDXNWHRSA-N 187.258 2.927 30 20 AFED C=CCCN[C@H](C)c1cccs1 70591635 BEFYICODCIFMKX-SECBINFHSA-N 181.304 2.975 30 20 AFED C=CCC[C@H](N)c1cccc(F)c1 70594059 KUONVCBEEOFWOR-NSHDSACASA-N 179.238 2.792 30 20 AFED C=C(Cl)CN[C@H]1CC[C@@H](C)C1 122111716 OGRKMJHPHIRVKF-APPZFPTMSA-N 173.687 2.517 30 20 AFED C=C[C@H](C)N[C@H]1CCc2ccccc21 157233760 YUOBKCGLXJUVKH-GWCFXTLKSA-N 187.286 2.838 30 20 AFED C=CCN1CCC[C@@H](CC)CC1 306289546 ODIVILJHMSVHRA-LLVKDONJSA-N 167.296 2.685 30 20 AFED CC[C@](C)(C=O)C/C=C/Cl 306418153 ZTVYXTGGTMRFJX-JQTRYQTASA-N 160.644 2.744 30 20 AFED C#CCN(CC)[C@@H]1CCCC[C@@H]1C 307133636 NARKOYYTTZZKBN-NWDGAFQWSA-N 179.307 2.520 30 20 AFED C=C(Cl)CN(CC)Cc1ccoc1 308213862 HXKWSYJDOGNKQW-UHFFFAOYSA-N 199.681 2.854 30 20 AFED C#Cc1cccnc1NCCCCC 853081865 XPQHYUMIYAHADO-UHFFFAOYSA-N 188.274 2.665 30 20 AFED C=CC(C)(C)CC(=O)NC1(CC)CC1 880176117 MTVVHMIAMVPJSE-UHFFFAOYSA-N 195.306 2.648 30 20 AFED C=CC(C)(C)CNC(=O)C[C@@H](C)CC 1117776931 SINNAEZCWZXYCR-JTQLQIEISA-N 197.322 2.751 30 20 AFED C#CCCCN(CC(C)C)C1CC1 161092701 MJZDXWMPEUCLGH-UHFFFAOYSA-N 179.307 2.520 30 20 AFED CCCCCN1CCC(CC#N)CC1 259275779 SODHITJVYNMHDM-UHFFFAOYSA-N 194.322 2.802 30 20 AFED C=CC1CCN([C@H](C)CC)CC1 306480877 LBCVZMXPGZEIAU-SNVBAGLBSA-N 167.296 2.683 30 20 AFED C=CCS[C@H](C)c1nnc(CC)o1 379402112 MHQUZPIUVXBURX-SSDOTTSWSA-N 198.291 2.612 30 20 AFED CC#CCN(CC)c1ccccc1F 607727870 YJWKRUVHYJSCDS-UHFFFAOYSA-N 191.249 2.675 30 20 AFED C=CCc1cccc(F)c1OCC 643652779 WQKOBLDCSXFEIJ-UHFFFAOYSA-N 180.222 2.953 30 20 AFED C=CCCCCN(C)CCC 649271183 IUERZMVDARPGLG-UHFFFAOYSA-N 155.285 2.685 30 20 AFED CC#CCCN(C)C1CC(C)(C)C1 657245081 LHQMUXANDUTXFH-UHFFFAOYSA-N 179.307 2.520 30 20 AFED CC#CCOc1ccc2c(c1)CCC2 679164314 IIEYUSYDDPPXNB-UHFFFAOYSA-N 186.254 2.577 30 20 AFED C=CCCCCNC(=O)C[C@@H](C)CC 682934581 JVEGSSBJKSCSIX-NSHDSACASA-N 197.322 2.895 30 20 AFED C#CCN1CC[C@@H](C2CCCCC2)C1 708766011 OTPWYOZJEZYCHB-CYBMUJFWSA-N 191.318 2.522 30 20 AFED C=CCCOC(=O)[C@H](C)C1CCC1 838389160 RDPLJXJVNBOAOQ-SECBINFHSA-N 182.263 2.542 30 20 AFED C=C[C@@H](C)ON=CC(C)(C)C 844622201 WVXHDFFZKFVSBS-MRVPVSSYSA-N 155.241 2.609 30 20 AFED C[C@H]1CCC(=NN2CCC2)C[C@H]1C 872397771 SUCHZEHKZNIVDH-VHSXEESVSA-N 180.295 2.504 30 20 AFED C=CC(C)(C)Cc1nc(C(C)C)no1 895954304 YDXDBVGTCDAZBK-UHFFFAOYSA-N 194.278 2.948 30 20 AFED N#CCCCNC1CC2(CCCC2)C1 926133022 QDMJDDJNJYNDJQ-UHFFFAOYSA-N 192.306 2.603 30 20 AFED C=C[C@@H](CC)OC(=O)c1cocc1C 1344062772 LNRHVPOBGBOCNI-VIFPVBQESA-N 194.230 2.709 30 20 AFED C=C(CC)C(=O)N[C@]1(C)CC=CCC1 1528493614 XEPUEGCJPYPNKM-GFCCVEGCSA-N 193.290 2.568 30 20 AFED C=CCN[C@@H](C)c1cc(C)oc1C 26516002 SILXXZMJRMLAJS-VIFPVBQESA-N 179.263 2.733 30 20 AFED C[C@@H]1CC[C@@](C=O)(CC2CC2)C1 306341786 DQXIMGPTRCQZHW-KOLCDFICSA-N 166.264 2.792 30 20 AFED CCSCCC=NOCC1CC1 308080106 IKFBSLNXPOZLFG-UHFFFAOYSA-N 187.308 2.542 30 20 AFED C=C(C)COC(=O)C[C@H](C)CCC 388252945 XUYSAOGTZPUQAP-SNVBAGLBSA-N 184.279 2.932 30 20 AFED C=C(CC)CNC(=O)[C@@H]1CC[C@@H](C)C1 654375376 ZMRHGNPFPGWTME-GHMZBOCLSA-N 195.306 2.505 30 20 AFED CC[C@H](C)CON=C1COC(C)(C)C1 841642592 WWTCKJVZZGBWKH-VIFPVBQESA-N 199.294 2.604 30 20 AFED C=C[C@@H](C)ON=C[C@H](C)CCC#N 844625075 KVSIJJZDOKVKSP-NXEZZACHSA-N 180.251 2.503 30 20 AFED CCC(CC)CNN=C1CC[C@@H]2C[C@H]12 872367411 WRRSNLIXSBAPKF-MNOVXSKESA-N 194.322 2.798 30 20 AFED C=C(C)COC(=O)C1CCC=CCC1 873430082 JZPUSWJSCVWIET-UHFFFAOYSA-N 194.274 2.852 30 20 AFED C=C(CC)C(=O)N[C@@H](C)C[C@@H](C)CC 1349075615 XKGHPZZDLGNLKO-ONGXEEELSA-N 197.322 2.894 30 20 AFED Cc1cc([C@H](C)NCC#N)c(C)s1 49507379 UBRXDNJFFFWJHI-QMMMGPOBSA-N 194.303 2.539 30 20 AFED C=CCCNC(=O)CC1=CCCCC1 238058286 RNEICPLVRKQFFU-UHFFFAOYSA-N 193.290 2.569 30 20 AFED C#C[C@H](C)NC[C@@H]1CCCC(C)(C)C1 306147834 AJSSBVRLYRNFAC-NWDGAFQWSA-N 193.334 2.814 30 20 AFED C=C(C)C[C@@]1(C=O)C[C@H]2CC[C@H]1C2 306185372 RIVOIASTXATIHJ-SRVKXCTJSA-N 178.275 2.958 30 20 AFED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCC#N 306231281 BTGSZDPTKOZUCC-IJLUTSLNSA-N 194.322 2.560 30 20 AFED CC[C@H](C)NN=C(C)c1ccsc1 308383434 VRGSFYAXBZXRCT-QMMMGPOBSA-N 196.319 2.860 30 20 AFED C=C(C)CN(C)CC1(C)CCC1 379330812 YJXDQVWKIMEHPD-UHFFFAOYSA-N 167.296 2.685 30 20 AFED N#CCCCCN[C@H]1CCC12CCC2 393677335 ZJLJZYCCAWQCGH-NSHDSACASA-N 192.306 2.603 30 20 AFED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1CC 644715295 NZDBGDWCJKLYEG-NXEZZACHSA-N 195.306 2.503 30 20 AFED C=CC[C@@H](C)NC(=O)C1=CCCCC1 682161349 RDQWIDHUCVNSQT-SNVBAGLBSA-N 193.290 2.568 30 20 AFED C=CCCN(C)C(=O)[C@H](C)C(C)(C)C 682428787 PIUSUKWYTBGHJE-JTQLQIEISA-N 197.322 2.703 30 20 AFED Fc1cccnc1NN=C1CCCC1 794988887 ABXAZYXACZCABN-UHFFFAOYSA-N 193.225 2.563 30 20 AFED C=CCNN=C(C)[C@H]1CCCC[C@H]1C 834977156 HNILIPUAVRLYDG-PWSUYJOCSA-N 194.322 2.964 30 20 AFED C=C(Cl)CN1CC[C@H](C2CCC2)C1 839676635 MUVKCEMMBCWDMY-NSHDSACASA-N 199.725 2.861 30 20 AFED C=CCON=C1CCC[C@H](OCC)C1 905476258 PKZMUBDHDVQGKV-NSHDSACASA-N 197.278 2.524 30 20 AFED C=CCCCCn1cc(C)sc1=O 920331770 JFOYRARQFPGNFK-UHFFFAOYSA-N 197.303 2.575 30 20 AFED C=CCCC(=O)N1CC[C@H]1C(C)(C)C 1337607815 XFLXFYQPDYNDMS-JTQLQIEISA-N 195.306 2.600 30 20 AFED CCc1c[nH]c2ccc(C#N)cc12 137941743 GPBWQFSYEUAHPS-UHFFFAOYSA-N 170.215 2.602 30 20 AFED C#Cc1cccc(NC/C=C/Cl)c1 225231268 QLRGNOKKVFGUIO-QPJJXVBHSA-N 191.661 2.832 30 20 AFED C=C[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1 227530973 BLWVEXXBBNAQII-YIZRAAEISA-N 178.231 2.622 30 20 AFED C=CCNc1ccc2ccn(C)c2c1 306697805 CTVBWBWDBBMFHO-UHFFFAOYSA-N 186.258 2.776 30 20 AFED CCON=Cc1ccc(C)c(C)c1 308316315 XBBQCJSQPJQUQD-UHFFFAOYSA-N 177.247 2.674 30 20 AFED CCCNN=C[C@H]1CCC[C@H](C)C1 308442882 ZPQXWPAXHNGSKT-QWRGUYRKSA-N 182.311 2.798 30 20 AFED CC(C)CC[C@@H](NCC#N)C(C)(C)C 308658133 OWRNHNBBJINIHZ-LLVKDONJSA-N 196.338 2.950 30 20 AFED CCC1(N[C@@H]2CCC[C@H](C#N)C2)CC1 334669912 JMOHBOAARCLBDM-WDEREUQCSA-N 192.306 2.601 30 20 AFED C#CCCCCN[C@H]1CCC[C@H]2C[C@H]21 378707592 QULAZRYCHJAVSA-XQQFMLRXSA-N 191.318 2.568 30 20 AFED C=CCCCCNC[C@H]1C[C@H]1C 379311811 RCDVWVOBDNHJGB-GHMZBOCLSA-N 167.296 2.588 30 20 AFED CC(C)CNN=C[C@@H]1CC[C@@H](C)C1 379387187 GVVBLVIAKXLNHN-GHMZBOCLSA-N 182.311 2.654 30 20 AFED C=CCCCNC[C@@H](OC)[C@@H](C)CC 381399026 PHDLWWAIQTVHTD-NWDGAFQWSA-N 199.338 2.603 30 20 AFED CCC(C)(C)NC[C@@H](C)CCC#N 602531406 HWDWGBZSIYLXHJ-JTQLQIEISA-N 182.311 2.704 30 20 AFED C=C(C)CN(C)[C@@H](C)c1ccco1 621278849 BTOFWRKJQBUQGV-JTQLQIEISA-N 179.263 2.849 30 20 AFED CC#CCCN1CC[C@H](C)[C@@H]1CC 681470140 POQXJMRBFNMGDC-RYUDHWBXSA-N 179.307 2.520 30 20 AFED CCC(C)=NNc1cccc(OC)c1 725853814 SHBGMSDGKZFQPJ-UHFFFAOYSA-N 192.262 2.893 30 20 AFED C=C[C@@H](CC)CC(=O)N[C@@H](C)CCC 929719198 VNTRNFRPOFTZCM-QWRGUYRKSA-N 197.322 2.894 30 20 AFED C=CCCN(C)C[C@@H]1C[C@H]1CC 930252739 CZWJQUBICGNPAX-MNOVXSKESA-N 167.296 2.540 30 20 AFED C=C(C)CCC(=O)NC[C@@H](C)C1CC1 1338805888 XPYZPDVOJJDSFV-SNVBAGLBSA-N 195.306 2.505 30 20 AFED C#C[C@H](CC)OC(=O)CCC1(C)CC1 1343360100 PCKYHNTZOAPJJR-SNVBAGLBSA-N 194.274 2.522 30 20 AFED CCCN(CCCCC#N)CC1CC1 42223097 VIADVUXLYWQBCK-UHFFFAOYSA-N 194.322 2.802 30 20 AFED N#CCCCCSc1nccs1 49579614 MIQLSRSKBQXZEP-UHFFFAOYSA-N 198.316 2.929 30 20 AFED C=C(C)CC[C@H]1CCCC[C@H]1O 229076162 FYLAEGWHVSJYQA-GHMZBOCLSA-N 168.280 2.894 30 20 AFED C=C(C)COc1cc(F)cc(C#N)c1 306254367 WIOPIHJNDZVUNW-UHFFFAOYSA-N 191.205 2.652 30 20 AFED C=CC[C@H](C)N[C@H]1CCC1(C)C 308066678 YZWMNKAKTIEXQV-UWVGGRQHSA-N 167.296 2.729 30 20 AFED N#CCCCSCC[C@H]1CCCO1 308199907 WZSINSIILDCRPS-SNVBAGLBSA-N 199.319 2.592 30 20 AFED CC(C)CCN[C@@H]1CCC[C@@H](C#N)C1 379601479 LUALKWRPEYAMQO-VXGBXAGGSA-N 194.322 2.704 30 20 AFED C[C@H](C#N)CN[C@H](C)CC1CCCC1 379647866 BCVOVTKEHZRHSJ-GHMZBOCLSA-N 194.322 2.704 30 20 AFED C=CCN(C(=O)CC(C)C)C(C)(C)C 622942530 PYVSKWLRZQKGLK-UHFFFAOYSA-N 197.322 2.846 30 20 AFED C=C(CC)CNC(=O)[C@@H](C)C1CCC1 655098132 POYHOCANDOLKEH-JTQLQIEISA-N 195.306 2.505 30 20 AFED CCN(CC(C)C)[C@@H](C)CCC#N 695779209 HUKYBHAIHDDUCX-NSHDSACASA-N 182.311 2.657 30 20 AFED CCC(C=NO[C@@H]1CCCCO1)CC 755820672 KQAPZLOUUFUWFH-LLVKDONJSA-N 199.294 2.952 30 20 AFED CC#CCCSc1cc(C)ccn1 918808056 KFEUNCYKEHGDGP-UHFFFAOYSA-N 191.299 2.896 30 20 AFED C=C(C)CCC(=O)N1CC[C@H]1C(C)C 1358102008 XVPPGPYTBMBSIK-NSHDSACASA-N 195.306 2.600 30 20 AFED C#CCN[C@H](CCC)c1ccccc1 19875703 DDNNIFFBRFIXRM-CYBMUJFWSA-N 187.286 2.751 30 20 AFED C=CCN[C@H](C)c1ccc(C)s1 19876024 YJRFMCMHBNXGFC-SECBINFHSA-N 181.304 2.893 30 20 AFED N#CC[C@@H](O)c1ccc2ccccc2c1 34183853 MHUBDEWQYBFREA-CYBMUJFWSA-N 197.237 2.787 30 20 AFED C#CCN[C@H]1CCC[C@H](CC)CC1 83434990 QWYJDDJYPDSJMP-RYUDHWBXSA-N 179.307 2.568 30 20 AFED CC[C@H](C)CSCCC#N 234001945 WPGLLHMPHIZRRA-QMMMGPOBSA-N 157.282 2.679 30 20 AFED C=CCN(CC(=C)Cl)C(C)C 307904128 QFGUFMYOBCXINE-UHFFFAOYSA-N 173.687 2.635 30 20 AFED CCCNN=C(C)c1sccc1C 379408612 BEVAFMWYSUGBNC-UHFFFAOYSA-N 196.319 2.780 30 20 AFED C=CCCSCC1(C#N)CCC1 591385809 VLUHENPBQSQZSD-UHFFFAOYSA-N 181.304 2.990 30 20 AFED CC#CCN(C)c1cccc(C)c1C 607724154 NQMTWGODQVQWGW-UHFFFAOYSA-N 187.286 2.763 30 20 AFED C=CC[C@@H]1CCCN(CCC#CC)C1 661387187 XELLHTQDDKVKJW-CYBMUJFWSA-N 191.318 2.688 30 20 AFED C=C[C@](C)(CC)C(=O)NCCCCC 682366879 WBNKDLHIFKOMRK-GFCCVEGCSA-N 197.322 2.895 30 20 AFED C=CCCCC(=O)N(OC)[C@H](C)CC 764822466 QKRAFHHHKUHYOH-SNVBAGLBSA-N 199.294 2.531 30 20 AFED C#CCCOc1cccc(C2CC2)c1 818088758 LKOBQFBGEFLGGT-UHFFFAOYSA-N 186.254 2.966 30 20 AFED CCCCCCCNC(=O)[C@@H]1C[C@@H]1C 862359293 IJTJJMVXYZDYJN-WDEREUQCSA-N 197.322 2.729 30 20 AFED C[C@@H]1CCCC[C@H]1N(C)CCCC#N 42253244 JLJWCJMGJASHOH-VXGBXAGGSA-N 194.322 2.801 30 20 AFED C[C@H]1CN(CCC(C)(C)C#N)C[C@@H]1C 86009923 KVYKGIADDBLXDJ-QWRGUYRKSA-N 194.322 2.514 30 20 AFED CC(C)CC[C@@H](C)NCC(C)(C)C#N 126414542 CKJZUMGIMIIUMS-LLVKDONJSA-N 196.338 2.950 30 20 AFED C=CCC[C@H](C)NC[C@@H]1CCCS1 126862099 HRPBSRCDHQQUBC-QWRGUYRKSA-N 199.363 2.826 30 20 AFED C[C@H]1CC[C@@](C=O)(CC2CC2)C1 306341788 DQXIMGPTRCQZHW-ONGXEEELSA-N 166.264 2.792 30 20 AFED C=C(C)CCN1C[C@@H]2CCCC[C@@H]21 306448607 XDOLDYQSZYTGRC-RYUDHWBXSA-N 179.307 2.827 30 20 AFED C=CCCN1CC[C@@H](C)[C@H](C)C1 306579812 XVLLYAFUYFYUOA-GHMZBOCLSA-N 167.296 2.540 30 20 AFED CC#CC[C@]1(C=O)CCCC[C@H]1C 306732569 SAMUWKDPIKENGA-VXGBXAGGSA-N 178.275 2.795 30 20 AFED C#CCCN1CCC[C@H]1C(C)(C)C 307155603 FBZGYCKISYUIJN-NSHDSACASA-N 179.307 2.520 30 20 AFED CCC(C=NNCC(F)(F)F)CC 379398474 FRSCNFHKDFZJEZ-UHFFFAOYSA-N 196.216 2.560 30 20 AFED C[C@H]1CC(=NNC2CC2)CC[C@H]1C 393715887 QZRFDSLIHFCRLA-BDAKNGLRSA-N 180.295 2.551 30 20 AFED N#Cc1ccn(CCC2CCCC2)c1 615113780 AKIGCWAGFRAWMX-UHFFFAOYSA-N 188.274 2.940 30 20 AFED C=C(C)CCN1CCC(C)(F)CC1 640071906 UGVGMQAJEUFRBK-UHFFFAOYSA-N 185.286 2.777 30 20 AFED C=C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C 644672893 CHHJDZUURCNQBZ-DCAQKATOSA-N 195.306 2.503 30 20 AFED C=C(C)CCN[C@H]1CCC[C@H]2C[C@H]21 648727752 DLHQHISXKAJLOI-TUAOUCFPSA-N 179.307 2.731 30 20 AFED C=C[C@@H](C)N[C@@H](CC)c1ccncc1 651246498 KXDBNEXLYUOKTA-PWSUYJOCSA-N 190.290 2.697 30 20 AFED C[C@@H](CC(=O)OCC#N)CC(C)(C)C 919497056 UNYQZXDAUCIYFG-VIFPVBQESA-N 197.278 2.516 30 20 AFED C=C(C)CNc1ccccc1[N+](=O)[O-] 66111179 IPEPGTROEKDLBD-UHFFFAOYSA-N 192.218 2.583 30 20 AFED C=CCCc1ccccc1N(C)C 98179406 UWBAOZKJXLZDCL-UHFFFAOYSA-N 175.275 2.871 30 20 AFED CC[C@H](C)[C@@H](C)N[C@H](CC)CC#N 251663542 BYVMKGJJQKQYPP-HBNTYKKESA-N 182.311 2.703 30 20 AFED CC(C)(C)C=NOCC(F)(F)F 308119996 OPNKBNGNFXTJIH-UHFFFAOYSA-N 183.173 2.597 30 20 AFED C=CCNN=C1CC[C@H](C)C[C@H]1C 308277606 VSPKMDKTCMYCRD-VHSXEESVSA-N 180.295 2.574 30 20 AFED C=CCNC(=O)[C@H]1CC[C@H](CC)CC1 328323668 FQCXZJJIHGBNJE-XYPYZODXSA-N 195.306 2.505 30 20 AFED C=CC(C)(C)CN[C@@H]1CC[C@H](C)C1 384962750 NSHYCQJAKAXNJB-WDEREUQCSA-N 181.323 2.977 30 20 AFED N#CCC1(CSC2CCC2)CC1 594900039 NGMRHHFQCJKMHO-UHFFFAOYSA-N 181.304 2.966 30 20 AFED CCC[C@H]1[C@@H](C)CCCN1CCC#N 610336869 SWXMTYKJZIOQMD-RYUDHWBXSA-N 194.322 2.801 30 20 AFED C=C(C)CCN[C@H](CCCC)COC 648727744 CBNLVLCSYQMGHB-GFCCVEGCSA-N 199.338 2.747 30 20 AFED CCC#C[C@@H](C)N[C@@H]1CCC[C@@H]2C[C@@H]21 657347892 VALZLKBXGDECGS-FVCCEPFGSA-N 191.318 2.567 30 20 AFED C=CCCN[C@@H](COC)CC(C)(C)C 658114467 ORSOQBYLYCPUOT-LLVKDONJSA-N 199.338 2.603 30 20 AFED C#CCCN1C[C@H](C)[C@@H]2CCCC[C@@H]21 782503429 LJGSUYSYBFHPDB-AVGNSLFASA-N 191.318 2.520 30 20 AFED C=CCCCOC(=O)[C@@H](C)C1CCC1 838391294 YJEOJQPZIUAYQL-JTQLQIEISA-N 196.290 2.932 30 20 AFED C#CCC[C@H](C)OC(=O)[C@@H](C)CCC 839039735 RDEVCQQUEKEKAU-QWRGUYRKSA-N 196.290 2.768 30 20 AFED CCCON=C1CCC[C@H]1CCF 842552239 YUUJCUBDTFWTPO-VIFPVBQESA-N 187.258 2.929 30 20 AFED CC(=O)C(C)=NOC[C@@H](C)C(C)(C)C 902758583 RZUFXCQOLDUSEY-MRVPVSSYSA-N 199.294 2.650 30 20 AFED C=C[C@H](CC)OC(=O)CCC(=C)C 1122877482 OCBPARPETGGBNS-SNVBAGLBSA-N 182.263 2.851 30 20 AFED CCCCCC[C@H](C)NCCC#N 20303582 IKRVXTDKTRWFNS-NSHDSACASA-N 182.311 2.849 30 20 AFED Cc1cc(C)c([C@H]2CO2)c(C)c1 22210499 WEXXWJBYFYLNTK-SNVBAGLBSA-N 162.232 2.683 30 20 AFED C#CCCCN[C@H](C)c1cccs1 160874948 ICVYODRLLYFLMR-SNVBAGLBSA-N 193.315 2.812 30 20 AFED CCc1ccccc1C(C)(C)C=O 257961056 XJYRVIRHZNOKTJ-UHFFFAOYSA-N 176.259 2.726 30 20 AFED CC[C@@H](C)C=NOCCC1CC1 308088058 QPXHBIMWDZRKFK-SECBINFHSA-N 169.268 2.835 30 20 AFED C=CC[C@H](CC)NC[C@@H]1C[C@@H]1C 379312340 YXJGPSHUCUAANF-DCAQKATOSA-N 167.296 2.587 30 20 AFED C=C(C)CCSCC1CCNCC1 592175254 GGVMERGWAGJJJQ-UHFFFAOYSA-N 199.363 2.685 30 20 AFED C=CCC1(C(=O)OC/C=C/C)CCC1 791561077 UNPJPWGRBVSDPW-HWKANZROSA-N 194.274 2.852 30 20 AFED C[C@H](NCCC#N)[C@H]1CCCC[C@H]1C 824302222 RXTUMPBPMMLXJQ-WOPDTQHZSA-N 194.322 2.704 30 20 AFED CC(C)CCC=NOC(C)C 835002555 PVTBRAJCHHECIJ-UHFFFAOYSA-N 157.257 2.833 30 20 AFED CC1CCC(CN[C@@H](C)CC#N)CC1 63145638 DWCJNEHOBFPDAM-CXQJBGSLSA-N 194.322 2.704 30 20 AFED C[C@H](S)c1cccc([N+](=O)[O-])c1 86895227 GDANEEHWJVAKEJ-LURJTMIESA-N 183.232 2.586 30 20 AFED C=C[C@H](C)Nc1nc(C(C)C)ns1 130636429 AGTCKPXPCVDVRS-ZETCQYMHSA-N 197.307 2.648 30 20 AFED CC(C)C[C@H](C)N(C)C[C@H](C)C#N 251460422 YSDANTMJQMLIKR-MNOVXSKESA-N 182.311 2.512 30 20 AFED C=CC[C@@H](C)N[C@H]1CCC1(C)C 308066780 YZWMNKAKTIEXQV-ZJUUUORDSA-N 167.296 2.729 30 20 AFED C=CCCCNc1ccc(Cl)nn1 308169249 BVDSRZRMYGTLHB-UHFFFAOYSA-N 197.669 2.508 30 20 AFED C=CCCOC(=O)/C=C(\C)CCC 308239443 SCGVNSHKWRIPEV-MDZDMXLPSA-N 182.263 2.852 30 20 AFED C#CCCN1CCC[C@@H](CCC)C1 308326532 FRBFCELUKHPCQY-GFCCVEGCSA-N 179.307 2.522 30 20 AFED C=CCCSCc1cnc(C)nc1 308388352 WIMUCNNEFPBMEB-UHFFFAOYSA-N 194.303 2.594 30 20 AFED CC[C@]1(C)CCN(CCCCC#N)C1 308421491 ONSVLSGCUMXVAC-GFCCVEGCSA-N 194.322 2.802 30 20 AFED C=CCCCN[C@]1(CCC)CCOC1 308733387 KMHUFMRWWHZTLV-GFCCVEGCSA-N 197.322 2.501 30 20 AFED C=C[C@@H](C)Nc1ccnc2ccncc12 309120730 NRMUYTGULJAGJA-SECBINFHSA-N 199.257 2.616 30 20 AFED C=C[C@H](C)NC(=O)[C@H]1CCCC1(C)C 336588497 SYJODVVJOQJBNA-VHSXEESVSA-N 195.306 2.503 30 20 AFED CC[C@H](C)C(C)=NNC1CCCC1 388635982 MSWKSSIOKCIOEQ-VIFPVBQESA-N 182.311 2.941 30 20 AFED C=CC[C@@H](C)C(C)=NOCCOCC 774432015 IPBWLAPJKMPVAO-SNVBAGLBSA-N 199.294 2.628 30 20 AFED C=C(Cl)CNC1[C@H](C)CC[C@H]1C 839602464 RMFCAFHQHODBCE-HTQZYQBOSA-N 187.714 2.763 30 20 AFED CCC(=NNC1CCCC1)[C@H]1C[C@@H]1C 841625922 BARQVWKRQGRSSM-ONGXEEELSA-N 194.322 2.941 30 20 AFED C=CCCOc1cccc(F)c1C#N 86476949 YBMVAMVFVNBEAM-UHFFFAOYSA-N 191.205 2.652 30 20 AFED C=C(Cl)CNC[C@@H]1C[C@H]2C=C[C@H]1C2 131671562 GLHVSHKWGWLHKG-DCAQKATOSA-N 197.709 2.541 30 20 AFED C#CCCCN(C)Cc1ccsc1 161088700 SNGIOHWHWMZADJ-UHFFFAOYSA-N 193.315 2.593 30 20 AFED Fc1cccc(C#CC(F)(F)F)c1 238537796 GDMMOXQEMXXRAY-UHFFFAOYSA-N 188.123 2.740 30 20 AFED CCC(CC)NN=Cc1cccs1 308170486 BEIOAMTYXVJJMM-UHFFFAOYSA-N 196.319 2.860 30 20 AFED C=C(C)CCNCc1ccoc1C 321073690 NZSAOESMMADMIU-UHFFFAOYSA-N 179.263 2.644 30 20 AFED C=CC(C)(C)C(=O)Nc1ccsc1 334659013 LZUOQTFGKKGXCG-UHFFFAOYSA-N 195.287 2.899 30 20 AFED C=CC[C@H](C)NC(=O)C[C@@H](C)CC 379379478 BBVMIWQPJSXCSE-UWVGGRQHSA-N 183.295 2.503 30 20 AFED CCN(CC(C)(C)CCC#N)C1CC1 611254435 XOIZBCXVDPDWBW-UHFFFAOYSA-N 194.322 2.801 30 20 AFED C=C(C)C(C)(C)C(=O)NCCCC 644535848 SGYQEXUYZSRGMT-UHFFFAOYSA-N 183.295 2.505 30 20 AFED C=CC[C@H](CC)NC(=O)C(C)(C)C=C 650039839 ZFNUZCZUJAZMGZ-JTQLQIEISA-N 195.306 2.670 30 20 AFED CC(C)CN(CCC#N)C[C@@H]1C[C@@H]1C 722873497 KDARRMIUWMEGCT-RYUDHWBXSA-N 194.322 2.514 30 20 AFED C=C[C@H](C)ON=C1CCCC[C@H]1OC 844626054 WZNXTHHDQXRUBF-GXSJLCMTSA-N 197.278 2.523 30 20 AFED CCCC(C)=NOCC1CCC1 853439491 IQWIBUCUUJUXFV-UHFFFAOYSA-N 169.268 2.979 30 20 AFED C=CC(C)(C)CC(=O)NC1CCCC1 877962695 TUBVWBTUMPNSQD-UHFFFAOYSA-N 195.306 2.648 30 20 AFED CCCCC[C@@H](C)NCCCC#N 42222531 BAXKSEJPXRKVOI-LLVKDONJSA-N 182.311 2.849 30 20 AFED C=C(C)COc1cccc(F)c1 70233560 UXWBJHTYNXXZMV-UHFFFAOYSA-N 166.195 2.781 30 20 AFED CC[C@@H]1CCC[C@@H](S)C1 70562443 AAMVSCKFWJRDHY-HTQZYQBOSA-N 144.283 2.885 30 20 AFED C=CCCN[C@@H]1CCCC1(C)C 86874425 RHMWBULTZXJQKP-SNVBAGLBSA-N 167.296 2.731 30 20 AFED C#C[C@@H](C)NC1CCCCCCC1 135161261 YTJQGDVGKXLSEF-LLVKDONJSA-N 179.307 2.711 30 20 AFED CCO[C@@]1(C=O)C[C@H](C)CC(C)(C)C1 306346555 PWSSPJQTSYQGCX-PWSUYJOCSA-N 198.306 2.807 30 20 AFED C[Si](C)(C)CC1(C=O)CCC1 307561130 IOTVPYIVADKMKY-UHFFFAOYSA-N 170.328 2.694 30 20 AFED CCON=C[C@H](C)CC(C)C 307909983 VQOCIPZHGNCMST-SECBINFHSA-N 157.257 2.691 30 20 AFED CC[C@@H](C)C=NOC/C=C\Cl 393598861 NRKHOBZQOJPFHG-WVWGPLAXSA-N 175.659 2.787 30 20 AFED C[C@@H](CC(C)(C)C#N)N[C@@H](C)C1CC1 695872118 NFRKASGXIJICEL-UWVGGRQHSA-N 194.322 2.703 30 20 AFED C=CCCCC(=O)N1CC[C@@H](C)[C@@H]1C 752389955 KLDGFZBTQUOIRQ-MNOVXSKESA-N 195.306 2.600 30 20 AFED C[C@@H](CCC#N)N1CC(C)(C)C1(C)C 829181131 TYXIPXOTRJFZQU-JTQLQIEISA-N 194.322 2.799 30 20 AFED C=CCON=C1CCCC12CCC2 835014633 KDUJAXQNQWAGHJ-UHFFFAOYSA-N 179.263 2.899 30 20 AFED C=C(Cl)CN1CC(C)(C)C[C@@H]1C 839660854 QEEALDDTIVDWLP-VIFPVBQESA-N 187.714 2.859 30 20 AFED CCCC=NN1CCCC[C@H]1C 853379651 LECYPICFRVNOPK-SNVBAGLBSA-N 168.284 2.647 30 20 AFED C=C[C@H](C)OC(=O)C1CCC(=C)CC1 1357730237 VAYOECUJKJDUBI-JTQLQIEISA-N 194.274 2.851 30 20 AFED Cc1ccccc1S[C@@H](C)C#N 42278220 YLQRRFBCLBIQSB-VIFPVBQESA-N 177.272 2.999 30 20 AFED C=CC(=O)C1CCC(C)CC1 83944006 GBYUVHNYNSPHDT-UHFFFAOYSA-N 152.237 2.568 30 20 AFED C=C[C@@H](C)N[C@H](C)c1csc(C)n1 158867547 YKVNUSCXTMJXHC-HTQZYQBOSA-N 196.319 2.677 30 20 AFED CC#CCOc1ccc(C)c(F)c1 226441732 REDWKOYLRHJUGM-UHFFFAOYSA-N 178.206 2.536 30 20 AFED CC(C)(C)CCNCC1(C#N)CCC1 258957839 RNICNJXRCYHSSC-UHFFFAOYSA-N 194.322 2.706 30 20 AFED C#C[C@H](N[C@@H](C)CC1CCC1)C(C)C 300919839 MSSYZPXOMFXIEB-AAEUAGOBSA-N 193.334 2.813 30 20 AFED C#CCCN(C)[C@@H]1CCC(C)(C)C1 306363364 XTAKOTRGTZZIHI-LLVKDONJSA-N 179.307 2.520 30 20 AFED CC[C@@H]1CCC[C@]2(CC1)O[C@@H]2C#N 307148417 PJXZKGFNDRFMHK-GMTAPVOTSA-N 179.263 2.638 30 20 AFED CC[C@@H]1CCC[C@]2(CC1)O[C@H]2C#N 307148420 PJXZKGFNDRFMHK-OUAUKWLOSA-N 179.263 2.638 30 20 AFED CC(C)CNN=C1CCC[C@@H](C)C1 308161568 VGDQPRIVAWELLQ-SNVBAGLBSA-N 182.311 2.798 30 20 AFED C=C[C@@H](C)NC(=O)CC(C)(C)CC 308302915 MVSXLRXKWSGKRE-SECBINFHSA-N 183.295 2.503 30 20 AFED CCN(C[C@@H](C)C#N)[C@H](C)CC(C)C 308448783 BPXZUVHUJASNOL-NWDGAFQWSA-N 196.338 2.903 30 20 AFED CC(C)CNC1CCC(C)(C#N)CC1 336224420 VKIVBUVGRIHFEJ-UHFFFAOYSA-N 194.322 2.704 30 20 AFED C=C[C@@H]1CCCCN1C(=O)CC(C)C 336262077 YXMBVLZKOCKYOZ-LLVKDONJSA-N 195.306 2.600 30 20 AFED C=CC[C@H](CC)NCCC(C)C 388466333 JRZGNIUMMFEFMA-NSHDSACASA-N 169.312 2.977 30 20 AFED CC[C@@H](C)CN1CCC[C@H](CC#N)C1 397589541 JUWHHEXRMQNDOZ-VXGBXAGGSA-N 194.322 2.658 30 20 AFED C=CCCCCNC(C)(C)COCC 649649835 CDLMTWMTQAIJAR-UHFFFAOYSA-N 199.338 2.747 30 20 AFED C=C[C@H](C)NC(=O)C(CC)(CC)CC 675471522 ILPZTAQTHBVQEX-JTQLQIEISA-N 197.322 2.894 30 20 AFED CC[C@@H](C)CON=Cc1ccc(C)o1 764547705 SCWGKTIOVQHHKE-SECBINFHSA-N 195.262 2.985 30 20 AFED C#CCON=C1CCC[C@@H](C(C)C)C1 812234260 VOIBMBHDDIWWIZ-LLVKDONJSA-N 193.290 2.838 30 20 AFED C=CCCCCOc1ccc(F)nc1 829439181 ZOXOOKUBQJVBJI-UHFFFAOYSA-N 195.237 2.956 30 20 AFED C#CC(C)(C)N(C)CCCC1CCC1 851986589 LVHVHXYFNJYFEP-UHFFFAOYSA-N 193.334 2.910 30 20 AFED F[C@@H]1CCCC1=NNC1CCCCC1 872368549 YFSQIPFFZZCMBB-SNVBAGLBSA-N 198.285 2.787 30 20 AFED C=CCCC[C@@H](C)NC(=O)C(=C)CC 1349403439 IZLOUGNZKWRRNU-LLVKDONJSA-N 195.306 2.814 30 20 AFED N#Cc1ccccc1Cc1cccnc1 82046878 NAIPFDPNPLRFHF-UHFFFAOYSA-N 194.237 2.544 30 20 AFED CS[C@H](C#N)C1CCCCC1 96604996 YJIANPUNQKWRNH-SECBINFHSA-N 169.293 2.822 30 20 AFED CC[C@@H]1CC[C@](C=O)(C2CC2)C1 306382113 XDJNWACVXUNDBO-KOLCDFICSA-N 166.264 2.792 30 20 AFED CC(C)(C)[C@@H]1CCCC[C@@H]1NCC#N 307754241 YOTGFGMWWWAGBH-MNOVXSKESA-N 194.322 2.704 30 20 AFED C#CCN(C1CC1)[C@H](C)[C@@H](C)CC 308318405 XDDOTFIBQSUWOZ-WDEREUQCSA-N 179.307 2.519 30 20 AFED CC1(C)CCC(CNCCC#N)CC1 381635972 BPBJSJASJOYNAJ-UHFFFAOYSA-N 194.322 2.706 30 20 AFED CN(CC1=CCCC1)CC(C)(C)C#N 592122229 JBLSRVVGICFJPP-UHFFFAOYSA-N 192.306 2.578 30 20 AFED CC#CCN1CCCC[C@@H]1CCC 680434316 OMPDUUZMPRRAQO-LBPRGKRZSA-N 179.307 2.664 30 20 AFED C=C[C@H](C)NC(=O)C[C@@H]1CCC[C@@H]1C 681097354 APIZLPKPEBNLNL-DCAQKATOSA-N 195.306 2.503 30 20 AFED CC(=NOC(C)C)C1CCCC1 834999988 JGFDUXOFQQYEFO-UHFFFAOYSA-N 169.268 2.978 30 20 AFED CC(C)[C@H]1CCCC1=NN1CCC1 872396863 JOLPJGRYACQYCL-SNVBAGLBSA-N 180.295 2.504 30 20 AFED C=C(C)CCC(=O)N1CCC[C@@H]1CC 1335754771 VNRBYBSANXXKKW-NSHDSACASA-N 195.306 2.744 30 20 AFED CC(C)(C#N)CCOC(C)(C)C 83640594 AMMLJDXEKHBTIN-UHFFFAOYSA-N 169.268 2.741 30 20 AFED CC[C@@H]1CC[C@H](C)N1CCCCC#N 124573835 SMPTVUSOEIINGC-NWDGAFQWSA-N 194.322 2.943 30 20 AFED C#CCCCNc1ccccc1F 160660799 QGSRGIWKZCRGRD-UHFFFAOYSA-N 177.222 2.651 30 20 AFED C#C[C@@H](C)N[C@@H](C)C1CCCCC1 229527766 UQSQNHNVVNKCJM-MNOVXSKESA-N 179.307 2.567 30 20 AFED N#Cc1cccc2cncc(Cl)c12 307140104 HTSZCVWFXLMTPM-UHFFFAOYSA-N 188.617 2.760 30 20 AFED C=C(CC)COC(=O)CCCC 307992584 UOFGRRIJNCOZMN-UHFFFAOYSA-N 170.252 2.686 30 20 AFED CC(CC1CCCC1)=NNC1CC1 308145882 LNVDFPKVLOEHEZ-UHFFFAOYSA-N 180.295 2.695 30 20 AFED C=CCC1(C(=O)OCCC)CCC1 308497982 VBJQEXOXBDIOCS-UHFFFAOYSA-N 182.263 2.686 30 20 AFED C=C(C)CN1CCCC(C)(C)[C@H]1C#N 336182773 XWFFBPIEYNINTO-LLVKDONJSA-N 192.306 2.577 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2.813 30 20 AFED C=CC[C@H](C)[C@@H](C)NC/C=C\Cl 898434759 YEFZVSOGIUAWRS-ZBOIFRAGSA-N 187.714 2.929 30 20 AFED C=CCN1CCSC[C@H]1C(C)(C)C 931589983 LALFFYPSCBAVMN-JTQLQIEISA-N 199.363 2.636 30 20 AFED C=C(C)CCC(=O)O[C@H](CC)CC#N 1122989328 KKTAAEMYHRGAGZ-SNVBAGLBSA-N 195.262 2.578 30 20 AFED C=C(CC)C(=O)N[C@H]1CCC[C@@H]1CC 1351635368 IBVVOEVNLKWUMS-QWRGUYRKSA-N 195.306 2.648 30 20 AFED C=C[C@H](N)c1ccc(Cl)cc1F 78677024 WZSMAJUKCHGCJJ-VIFPVBQESA-N 185.629 2.665 30 20 AFED N#CCCCN1CC[C@@H]2CCCC[C@@H]21 132764051 UUXHHKDKYAUWLM-RYUDHWBXSA-N 192.306 2.555 30 20 AFED C=C(C)CNCC(CC)CC 160219945 RPFRWAHCTUSFEU-UHFFFAOYSA-N 155.285 2.588 30 20 AFED C#CCCCNc1ccc(C)cc1F 161049851 HLMUHDPDCOJQOV-UHFFFAOYSA-N 191.249 2.959 30 20 AFED C=CCC[C@@H](C)NCCCCCOC 230660155 MYRICXUQFBNVHQ-GFCCVEGCSA-N 199.338 2.747 30 20 AFED C#CCN(CC)CCCCCCC 308217934 KALYOEJHRSVQBT-UHFFFAOYSA-N 181.323 2.912 30 20 AFED CCC[C@@H](NCCCC#N)C1CCC1 324940136 XDKBCOGCUNXVDU-GFCCVEGCSA-N 194.322 2.849 30 20 AFED 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C#CCCN[C@H](C)c1ccc(C)cc1 82497000 YEJWRSBYYPWMRB-GFCCVEGCSA-N 187.286 2.669 30 20 AFED C=C(CC)CN[C@H](C)c1ccco1 85057482 WZQUEFLKQNOZLG-SNVBAGLBSA-N 179.263 2.896 30 20 AFED C=C(CC)COc1ccccc1C#N 85059143 WXTSXRZFKMGFRR-UHFFFAOYSA-N 187.242 2.903 30 20 AFED C#CCCCN[C@@H]1CCC(C)(C)C1 122615617 XLEJPJCYQDSOCR-LLVKDONJSA-N 179.307 2.568 30 20 AFED C#CCCCCN[C@H]1CCC[C@H]1CC 130755885 IAXCFESHJHBLCM-OLZOCXBDSA-N 193.334 2.958 30 20 AFED C[C@H](C#N)CN[C@@H]1CC[C@H](C)[C@H](C)C1 251653574 FSRMQWHCVUJTGF-WRWGMCAJSA-N 194.322 2.560 30 20 AFED O=C[C@@]1([C@@H]2C=CCCC2)CCCS1 306378141 SMBBRQMOVAFNOW-GHMZBOCLSA-N 196.315 2.807 30 20 AFED C=CC(C)(C)CNc1ccccn1 307626897 KXAYGUTZNACEMB-UHFFFAOYSA-N 176.263 2.706 30 20 AFED C=C(CC)COC(=O)C1CCCC1 308310048 QTCCVNUATIGOJZ-UHFFFAOYSA-N 182.263 2.686 30 20 AFED CC[C@@H](C)NN=C1CCC12CCC2 308424856 QMCRRNDRMJOGIM-SECBINFHSA-N 180.295 2.695 30 20 AFED C[C@@H](SCCC#N)C(F)(F)F 591133769 QECNOBDUWDCPPK-RXMQYKEDSA-N 183.198 2.584 30 20 AFED 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C#CCN(CCCC1CC1)C(C)C 932384368 QQNMYWYJKNBJKY-UHFFFAOYSA-N 179.307 2.520 30 20 AFED N#CCCSCC1CCCC1 62836021 KOPBJPKCUZIDBN-UHFFFAOYSA-N 169.293 2.823 30 20 AFED C=CCC[C@@H](N)c1ccc(F)cc1 70594046 ZBZYIRFGJMYYIP-LLVKDONJSA-N 179.238 2.792 30 20 AFED C#CCc1cccc(Br)c1 95757824 QTGRNWLCNLLWJR-UHFFFAOYSA-N 195.059 2.625 30 20 AFED N#CCCCSc1cccc(O)c1 126974170 PUZFLOKQHFJZOY-UHFFFAOYSA-N 193.271 2.788 30 20 AFED Fc1ccc(C#CC(F)(F)F)cc1 140844890 NOTQKOYZFSFBLQ-UHFFFAOYSA-N 188.123 2.740 30 20 AFED CC(C)(CCC#N)CNC1CC=CC1 229703542 IKQFVOVVRGMQQH-UHFFFAOYSA-N 192.306 2.625 30 20 AFED CC(C)CCCNCC(C)(C)C#N 258921045 NQAKHBORZLVKOL-UHFFFAOYSA-N 182.311 2.562 30 20 AFED CC(C)C[C@@H](C)CN(C)C[C@@H](C)C#N 300997525 WOTLFCSIHPHVMO-NEPJUHHUSA-N 196.338 2.760 30 20 AFED C=C(C)CN1CCC[C@H](C)CC1 307311327 GAPHEGZLCZDSJX-NSHDSACASA-N 167.296 2.685 30 20 AFED CC/C=C\CCn1ccc(C#N)c1 308240892 SQIYCJDKAYWNRI-ARJAWSKDSA-N 174.247 2.716 30 20 AFED C#CC12CC(c3ccccc3)(C1)C2 328579363 CQWMDFFCNWAQJS-UHFFFAOYSA-N 168.239 2.742 30 20 AFED C=CCN(C)CCCc1ccsc1 379393852 VTAJAVIUSVIDQU-UHFFFAOYSA-N 195.331 2.799 30 20 AFED C(CCC1CC1)=NNC1CCCC1 379410556 GGTGTIROBBUOAL-UHFFFAOYSA-N 180.295 2.695 30 20 AFED C#CCN[C@H](c1ccccc1)C1CCC1 379777978 DVMPTSYDROFAMG-CQSZACIVSA-N 199.297 2.751 30 20 AFED C=CCCNC(=O)C[C@@H](C)CCC 617615317 HFNVRPDAAINEAI-JTQLQIEISA-N 183.295 2.505 30 20 AFED CC#CCCN1CCC[C@](C)(CC)C1 680884801 VYIAIJPRHFGHRU-ZDUSSCGKSA-N 193.334 2.912 30 20 AFED C=C(C)CNC(=O)C(CC)(CC)CC 681743738 MWZRUZQHCLAHCD-UHFFFAOYSA-N 197.322 2.895 30 20 AFED C#C[C@@](C)(CC)NCC/C=C/C=C 713748310 KCLPOBMTLAUTSM-BCPZQOPPSA-N 177.291 2.510 30 20 AFED C=C(C)CCOC(=O)CCCC#CC 767992017 WZONUQQSCOWWBI-UHFFFAOYSA-N 194.274 2.689 30 20 AFED C=C[C@H](C)ON=Cc1[nH]c(C)cc1C 844621691 LEKHFBFVBPRPEM-JTQLQIEISA-N 192.262 2.557 30 20 AFED C=C[C@H](C)ON=C1CCC[C@H](OC)C1 844625495 MSGYZFOWFLCGLX-ONGXEEELSA-N 197.278 2.523 30 20 AFED C#CCCNc1ccc(Cl)cc1F 70159462 AGLLNLJIQGMVHL-UHFFFAOYSA-N 197.640 2.914 30 20 AFED C[C@@H](S)c1cccc([N+](=O)[O-])c1 86895229 GDANEEHWJVAKEJ-ZCFIWIBFSA-N 183.232 2.586 30 20 AFED CC1(C)CCCC1=NOCC(F)F 308310386 QXNBIEYFUDDKNK-UHFFFAOYSA-N 191.221 2.834 30 20 AFED CC(C)CCC=NOC1CCC1 378861372 QXTONXVKBABYPX-UHFFFAOYSA-N 169.268 2.978 30 20 AFED CC[C@H]1CCC1=NOC/C=C/Cl 379329667 VTSGVIGEAMVRJY-FEQFWVDXSA-N 187.670 2.932 30 20 AFED C=C(CC)COC(=O)/C=C/CCC 379373039 KIVZHVJPWQIQJX-BQYQJAHWSA-N 182.263 2.852 30 20 AFED C=CCN(C)C(=O)C[C@H](C)CC(C)C 681674321 LLDBDATVUMFYQL-LLVKDONJSA-N 197.322 2.703 30 20 AFED CCCCCC[C@H](C)C(=O)OCC#N 745255752 MKMIMCNBDQXZLU-JTQLQIEISA-N 197.278 2.660 30 20 AFED CCON=C(C)Cc1cccc(F)c1 759193336 KWEMVEREFIJUBP-UHFFFAOYSA-N 195.237 2.781 30 20 AFED CC[C@@H]1CCC1=NO[C@H]1CCCCO1 807982104 RLEBBOMUHCHDTD-KOLCDFICSA-N 197.278 2.706 30 20 AFED C=C(C)CCC(=O)OC/C=C\Cl 1123355449 QKNCHVICEYJBRN-UTCJRWHESA-N 188.654 2.638 30 20 AFED C=C(CC)C(=O)NC[C@@H]1CC[C@H](C)C1 1123770747 KKQUPPSTMSCUIJ-GXSJLCMTSA-N 195.306 2.505 30 20 AFED C=CCCN[C@@H](C)c1ccco1 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195.287 2.961 30 20 AFED CCCN(C)CCCC(C)(C)C#N 83642697 WNKUURVRJXYOJL-UHFFFAOYSA-N 182.311 2.658 30 20 AFED C#CCCCNc1cccc(C)c1 161054088 UVUCCEWDTSVPAL-UHFFFAOYSA-N 173.259 2.820 30 20 AFED C=CCN(C)Cc1cccc(Cl)c1 308278697 WSTWWKCKVKFWLN-UHFFFAOYSA-N 195.693 2.958 30 20 AFED C=CCC[C@@H](CC)NC[C@@H](CC)OC 308762938 YZMZBWXHQBSVSA-VXGBXAGGSA-N 199.338 2.746 30 20 AFED CC#CCn1cc(-c2ccccc2)cn1 336552630 KZMMASHTNRTDNE-UHFFFAOYSA-N 196.253 2.573 30 20 AFED CON=C[C@@H](C)c1ccc(F)cc1 379419432 YDYFEGIXBBHLMN-MRVPVSSYSA-N 181.210 2.561 30 20 AFED C=CC[C@@H](C)NC(=O)OC1CCCC1 388934865 VGVOLJKZGRCPDD-SECBINFHSA-N 197.278 2.620 30 20 AFED C=CCOC(=O)C[C@@H]1CCC[C@@H](C)C1 750251610 UVYFVDJHFUOBRV-GHMZBOCLSA-N 196.290 2.932 30 20 AFED C=C(C)c1ccc(F)c(CNCC)c1 904794657 AAHCPDJIYYZLPN-UHFFFAOYSA-N 193.265 2.968 30 20 AFED C=C(CC)C(=O)N[C@H](C)C[C@H](C)CC 1349075612 XKGHPZZDLGNLKO-MWLCHTKSSA-N 197.322 2.894 30 20 AFED C=CCCCN[C@@H](C)c1ccco1 70591640 UHXSRFJULKHUNJ-JTQLQIEISA-N 179.263 2.896 30 20 AFED C#CCCCCN[C@@H](C)c1ccco1 130749813 OPWTULWQSWPKAC-NSHDSACASA-N 191.274 2.734 30 20 AFED CCCc1c[nH]c2ccc(C#N)cc12 141547542 ATLKNBVFEGUMLZ-UHFFFAOYSA-N 184.242 2.992 30 20 AFED C#CCCCN(C)c1ccc(C)cc1 161113339 SEEXIUKXZMRNFP-UHFFFAOYSA-N 187.286 2.845 30 20 AFED C=CCC(C)(C)CNC(C)C 201750202 RIXRNRDXTBNSOF-UHFFFAOYSA-N 155.285 2.587 30 20 AFED C=CCCOC(=O)[C@@H](C)C(C)(C)C 201975882 TYHMUCZGHLTYQD-SECBINFHSA-N 184.279 2.788 30 20 AFED Cc1coc2ccc(CC#N)cc12 213991574 OGQPRFDMBZYPIR-UHFFFAOYSA-N 171.199 2.807 30 20 AFED CN(CC1CCCC1)CC(C)(C)C#N 258961316 SUWOKPKSPBIXLC-UHFFFAOYSA-N 194.322 2.658 30 20 AFED C=CCN(C[C@H]1C[C@@H]1C)C(C)C 308120923 PRSSRIUOCKJYGN-WDEREUQCSA-N 167.296 2.539 30 20 AFED C#CCCCN[C@H](C1CCC1)C1CC1 324953062 BZRAGQXMHKVSMA-CYBMUJFWSA-N 191.318 2.568 30 20 AFED CCCNN=C[C@@H]1CCCC[C@@H]1C 379408793 BQJIWLYDXDYMTG-QWRGUYRKSA-N 182.311 2.798 30 20 AFED C=CCN(C(CC)CC)C1CC1 388381958 RDNHGYGFMLMQRN-UHFFFAOYSA-N 167.296 2.825 30 20 AFED C#CCCCN[C@@H](CC)[C@@H]1CC1(C)C 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2.957 30 20 AFED C=C(C)COc1ccc(F)cc1F 307692783 UIINFRFDIHXVAD-UHFFFAOYSA-N 184.185 2.920 30 20 AFED C=CCSCC1CC(OCC)C1 307998858 YAVSZOPTBZZLTN-UHFFFAOYSA-N 186.320 2.721 30 20 AFED C=CCCCC(=O)OCC(=C)Cl 308157933 PXHVRCZFXUAUTO-UHFFFAOYSA-N 188.654 2.638 30 20 AFED C=CCCCN[C@@H]1CCC[C@@H]2C[C@@H]21 308227315 RIDOUYAHHAMYMY-GRYCIOLGSA-N 179.307 2.731 30 20 AFED C#CCC1(C(=O)OCC)CCCCC1 308412085 JLEXXFABJGBAAD-UHFFFAOYSA-N 194.274 2.523 30 20 AFED C#CCON=C(C)CC1CCCC1 379418919 XAGBDCZCHATODS-UHFFFAOYSA-N 179.263 2.592 30 20 AFED CCSCCc1ccc(C#N)cc1 596329827 NTHJVUODUKMPSO-UHFFFAOYSA-N 191.299 2.854 30 20 AFED C=CCC[C@@H](CC)NCc1ccno1 648023152 CLRAPMKXOHVIOB-SNVBAGLBSA-N 194.278 2.509 30 20 AFED C#CCCCN1CCc2cc(C)ccc21 773653227 WMPIYSUNAKDLNG-UHFFFAOYSA-N 199.297 2.771 30 20 AFED CCC(=NOC(C)C)c1ccncc1 835002653 RABFMMHTNPOJNY-UHFFFAOYSA-N 192.262 2.621 30 20 AFED C=CCCCN1CCC=C(Cl)C1 878794149 SRQALGNYWGMRTL-UHFFFAOYSA-N 185.698 2.781 30 20 AFED C=CC[S@@](=O)CC1CCCCC1 905168665 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CC#CCNc1cccc(F)c1Cl 306871140 UPAGGZMXLSLYEA-UHFFFAOYSA-N 197.640 2.914 30 20 AFED CC[C@@H](C)[C@@H](C)C(C)(C)C=O 307703171 QWIRMUJRSOVYJA-RKDXNWHRSA-N 156.269 2.894 30 20 AFED C=C(C)CCc1noc(C2(C)CC2)n1 349772641 RVPQDWXZQBDJBW-UHFFFAOYSA-N 192.262 2.630 30 20 AFED C=CC[C@H](C)N[C@H]1CCC[C@H]2C[C@H]21 378728847 VPTSROOCLPJBDE-YFKTTZPYSA-N 179.307 2.729 30 20 AFED C=CCCCC(=O)N[C@H](C)CCC 388261763 DGEVZHBGVWEQAS-SNVBAGLBSA-N 183.295 2.648 30 20 AFED CCCNN=C1CCC[C@H](C)[C@@H]1C 388649835 RINKYYNQUGYDMB-UWVGGRQHSA-N 182.311 2.798 30 20 AFED C=C(C)COC(=O)[C@H]1CC[C@@H](C)C1 393585036 QCIKCAFUMOOPGM-ZJUUUORDSA-N 182.263 2.542 30 20 AFED CCCCCCCN[C@@H]1CO[C@H](C)C1 402026426 XIRUNGBYGHDCJC-NEPJUHHUSA-N 199.338 2.724 30 20 AFED CC[C@@]1(C)CCN([C@H](C)CCC#N)C1 591016084 TVEPCPLTBBICFS-NEPJUHHUSA-N 194.322 2.801 30 20 AFED C=CCCc1noc(CCC(C)C)n1 651356334 SOBCJZSAZLILFG-UHFFFAOYSA-N 194.278 2.777 30 20 AFED C=CCCN[C@@H]1CS[C@H](C(C)C)C1 668481402 GTBHRTVQLOKLMQ-QWRGUYRKSA-N 199.363 2.682 30 20 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C=CCCC(=O)O[C@@H]1CC[C@@H](C)C1 308256299 KUYGBGVULCFDAO-NXEZZACHSA-N 182.263 2.684 30 20 AFED C=CCCN1CCC[C@@H]1C1CCC1 308261807 MVLJGSFADBVKSD-GFCCVEGCSA-N 179.307 2.827 30 20 AFED C#CCCCCN[C@@H](C)CCC1CC1 308646551 HXCHKYNXOVYSSW-LBPRGKRZSA-N 193.334 2.958 30 20 AFED C=CC(C)(C)CN[C@H]1CCC[C@H]1C 384946354 KVMKWMGZDFRZOA-MNOVXSKESA-N 181.323 2.977 30 20 AFED C=CCOCCN(CC)C(CC)CC 645150295 KORKWRUUYCZVIW-UHFFFAOYSA-N 199.338 2.700 30 20 AFED C=CCCN(C)CC(CC)CC 682436612 QGPZRURGQBZSMC-UHFFFAOYSA-N 169.312 2.931 30 20 AFED C=CC[C@H](CC)NC(=O)C1(CC)CC1 684938717 GIRMXXBNRBYULD-JTQLQIEISA-N 195.306 2.648 30 20 AFED C=CC[C@H](CC)NC(=O)C[C@H](C)CC 684939835 WQLAECQBXBKUFT-MNOVXSKESA-N 197.322 2.894 30 20 AFED C[C@H](CC(C)(C)C)NCC1(C#N)CC1 691535879 PVBLBOPHEVGBET-SNVBAGLBSA-N 194.322 2.704 30 20 AFED C=C(C)CON=C1CC[C@@H](C)C1 844619693 JQISLNKMSGGAHH-SECBINFHSA-N 167.252 2.755 30 20 AFED C=CC1(OC(=O)C[C@@H]2C=CCC2)CC1 1345170694 HIFKVCQIRLCXLB-SNVBAGLBSA-N 192.258 2.605 30 20 AFED CC(C)N[C@@H](C)c1ccc(C#N)cc1 19880526 UEANQKLOSMCVAZ-JTQLQIEISA-N 188.274 2.617 30 20 AFED CCCCCSCCC#N 58256561 JKJYVDWQOCTEEU-UHFFFAOYSA-N 157.282 2.823 30 20 AFED CCCCCCCSc1cn[nH]n1 81191638 DQRVFHKVZHQKJP-UHFFFAOYSA-N 199.323 2.867 30 20 AFED C=C(C)c1ccc2c(c1)CC[C@H]2O 112977082 BIPWAVOFFWTYKE-GFCCVEGCSA-N 174.243 2.699 30 20 AFED CC#CCN[C@@H]1CCC[C@@H]1CCCC 131576326 UUAMBSOHKORNIX-QWHCGFSZSA-N 193.334 2.958 30 20 AFED C=CC[C@H](C)NCc1csc(C)n1 161269641 CDPUMSPGYUOWNT-QMMMGPOBSA-N 196.319 2.506 30 20 AFED C=C(C)CSc1nc(C)c(C)[nH]1 306459225 DNDNQPWSWXNWQC-UHFFFAOYSA-N 182.292 2.695 30 20 AFED CC(C)(C)CN[C@H]1CCC[C@H](C#N)C1 306526280 UEGSQKYRGOQQME-QWRGUYRKSA-N 194.322 2.704 30 20 AFED CC[C@@H](NCCC(C)(C)C#N)C1CC1 323681460 DZPGASWZLIGNQF-LLVKDONJSA-N 194.322 2.704 30 20 AFED CN(CC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 334234803 ASLCPGKRXHVTFK-WDEREUQCSA-N 194.322 2.657 30 20 AFED C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC#N 588216174 LGWNXOSBNXPHGP-MNOVXSKESA-N 194.322 2.657 30 20 AFED 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57324740 MFDOFCLWNSQAGS-SSDOTTSWSA-N 155.266 2.574 30 20 AFED C=CCCNCc1cccc(C)c1C 168511141 MARHTYLTRVIVDP-UHFFFAOYSA-N 189.302 2.969 30 20 AFED C=CC[C@@H](C)N[C@@H]1C[C@H]2CC[C@H]1C2 252732969 XHSWLUVDGUGXBA-NOOOWODRSA-N 179.307 2.729 30 20 AFED C=C[C@@H](C)NC[C@H](C)CC(C)C 300885442 JIPNZXFHFYRMOS-GHMZBOCLSA-N 169.312 2.833 30 20 AFED CC1CCC(C=O)(CCF)CC1 306192325 ZIJIYRNEIARQRX-UHFFFAOYSA-N 172.243 2.741 30 20 AFED C=CCNN=C1CCC(C)(C)CC1 307760703 WPGUQUSOFNSXRD-UHFFFAOYSA-N 180.295 2.718 30 20 AFED CCC(C[C@@H](C)CC)=NOC 307890851 ZELPUAPUIVRKAL-QMMMGPOBSA-N 157.257 2.835 30 20 AFED CC1(C)CCCCC1=NNC1CC1 379374460 YXYHNDXGGBDXDR-UHFFFAOYSA-N 180.295 2.695 30 20 AFED CC(=O)[C@H](C)SCC(C)(C)CC#N 594891945 ZEQLZPKAKRPHGS-VIFPVBQESA-N 199.319 2.637 30 20 AFED C=C(C)c1ccc(N(C)C(C)C)nc1 629730101 RRIKKWNBSOTAIV-UHFFFAOYSA-N 190.290 2.959 30 20 AFED C=C(CC)CN(C)C(C)(C)C 646088437 ISPMVSNFCOSHEG-UHFFFAOYSA-N 155.285 2.683 30 20 AFED C=CCCCCN(CC)C[C@H](C)OC 649636568 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20 AFED C/C=C/C[C@]1(C=O)CC[C@@H](C)C1 307529183 LLQJBGANUZJWCE-YHROSDCASA-N 166.264 2.958 30 20 AFED C[C@@H]1CN(CCCCC#N)C(C)(C)C1 308426362 SSDYYEIEGVUPNQ-NSHDSACASA-N 194.322 2.801 30 20 AFED C=CCCN1CCCc2occc2C1 335792345 YFMKTPKPQSVIBT-UHFFFAOYSA-N 191.274 2.604 30 20 AFED C=C(C)COC(=O)C1=CCCCC1 388789517 LPNQATKGQTUOBP-UHFFFAOYSA-N 180.247 2.606 30 20 AFED Cl/C=C\CON=C1C[C@H]2CC[C@H]1C2 393903388 JBOPOGPXEVCPFI-NTABZEIBSA-N 199.681 2.932 30 20 AFED C=CCCC[C@H](C)NC(=O)OCCC 398171128 UJPJBMQWDUJGTR-JTQLQIEISA-N 199.294 2.867 30 20 AFED C[C@@H]1CN(CCCCC#N)[C@@H](C)[C@@H]1C 399683593 RXTDUNDEUPSFFB-UTUOFQBUSA-N 194.322 2.657 30 20 AFED N#CCCNCCC1=CCCCCC1 591760903 XHQMWWXDPPWOQG-UHFFFAOYSA-N 192.306 2.770 30 20 AFED C=CCCN1CCC[C@@H]1c1ccc[nH]1 606895897 FFGWSPPDXWGRLJ-GFCCVEGCSA-N 190.290 2.728 30 20 AFED CCC(C)(C)CCN(CC#N)C1CC1 610368176 UBKRJMZFRQRXAE-UHFFFAOYSA-N 194.322 2.801 30 20 AFED C=CC[C@@H](C)NC(=O)C(C)(C)CCC 651351729 RLOXUSYTXQDPAH-SNVBAGLBSA-N 197.322 2.894 30 20 AFED C#CCN(C)c1ccc(C(C)C)cc1 763434150 ZCECLZJDXDNTJU-UHFFFAOYSA-N 187.286 2.879 30 20 AFED N#Cc1cccc(NN=C2CCCC2)c1 767336521 QCUMEKOMHAOWIK-UHFFFAOYSA-N 199.257 2.900 30 20 AFED C=CCON=C[C@H](C)CC(C)C 835013154 JQAGOMLCGRNXQO-SNVBAGLBSA-N 169.268 2.857 30 20 AFED C=C[C@@H](C)ON=CC(C)(C)CCC#N 844621836 OELAILPESDIEBT-SNVBAGLBSA-N 194.278 2.893 30 20 AFED CO[C@@H]1CCCCC1=NOC(C)(C)C 1324559056 YHLKSVCFMKBWNE-SNVBAGLBSA-N 199.294 2.747 30 20 AFED C=C(CC)C(=O)NCC1=CCCCC1 1349901353 YQLWJMFOZFZZML-UHFFFAOYSA-N 193.290 2.569 30 20 AFED C=C(C)CCC(=O)N1CC(C)(CC)C1 1358240009 MMQBKTLRRPEKDY-UHFFFAOYSA-N 195.306 2.601 30 20 AFED CCCC1CCC(NCCC#N)CC1 20200105 CKYZJBADPIEGKM-UHFFFAOYSA-N 194.322 2.849 30 20 AFED C#CCCCCN[C@H](C)[C@H](C)CC 222290504 JIHJSZQOICKOEG-VXGBXAGGSA-N 181.323 2.814 30 20 AFED C[C@H](C#N)Nc1cccc(C(F)F)c1 307293279 MNUFJMZRQNONGV-SSDOTTSWSA-N 196.200 2.948 30 20 AFED C=CC(C)(C)C(=O)N[C@@H]1CCC1(C)C 336298011 GWADCVFNCQRGTH-SECBINFHSA-N 195.306 2.503 30 20 AFED C=CCC[C@@H](C)NC[C@@H](CCC)OC 378798083 SWQGKSPIXAARHH-VXGBXAGGSA-N 199.338 2.746 30 20 AFED CC(C)CCC(=NNC1CC1)C1CC1 802712757 UWBXMANZPFWJLJ-UHFFFAOYSA-N 194.322 2.941 30 20 AFED C=C(C)CC/N=C/c1ccccc1O 840704726 AMBNIDYHDCJMJO-UKTHLTGXSA-N 189.258 2.777 30 20 AFED CC(=NOC(C)(C)C)[C@]1(C)CCCO1 1321024600 LGGMZSBAUROBAF-NSHDSACASA-N 199.294 2.747 30 20 AFED C#CCCSc1ccc(O)cc1 38078945 QWELZSJGAPVFPR-UHFFFAOYSA-N 178.256 2.508 30 20 AFED CC(C)(C)C#Cc1ccccc1C=O 38234791 XRLALNZBNYDJKM-UHFFFAOYSA-N 186.254 2.897 30 20 AFED CC(C)CCC[C@H](C)NCCC#N 42207462 BCAFPCCSVXQKKY-NSHDSACASA-N 182.311 2.704 30 20 AFED C=CCC[C@H](N)c1cc(F)ccc1F 70595132 IUGAXEGUFWGPIM-NSHDSACASA-N 197.228 2.931 30 20 AFED C=CCCN[C@H](C)c1nc(C)cs1 70634631 VINGRWPKYXVNLH-SECBINFHSA-N 196.319 2.678 30 20 AFED CC1CCN(CCC(C)(C)C#N)CC1 83640474 DRGAVIOSPWKEKH-UHFFFAOYSA-N 194.322 2.658 30 20 AFED C=C[C@@H]1CCCCN1C/C=C\Cl 308084194 MEWLULPEFWATPP-ONRRBMGISA-N 185.698 2.779 30 20 AFED C=CCN(CC=C)C[Si](C)(C)C 308171117 WRQRWPTZYRQYLX-UHFFFAOYSA-N 183.371 2.538 30 20 AFED CC(C)CNN=C1CCC12CCC2 379392637 SHCLWTKKYMCTJX-UHFFFAOYSA-N 180.295 2.552 30 20 AFED C=CCCCCN(CC=C)CCC#N 590742834 PBJXLWHYLXZWIB-UHFFFAOYSA-N 192.306 2.744 30 20 AFED CC(C)(CCC#N)CN1CC=CCC1 611521248 XXTAMAHUANNKDH-UHFFFAOYSA-N 192.306 2.578 30 20 AFED C=CCN(CCC)CCc1ccco1 679329480 SEAIWQDDXRVAHV-UHFFFAOYSA-N 193.290 2.720 30 20 AFED C=C(C)CN(C)C(=O)[C@@H](C)[C@H](C)CC 679497986 RBIAXSHOSPOJEO-MNOVXSKESA-N 197.322 2.703 30 20 AFED C=C(C)CCOC(=O)[C@H]1CC12CCC2 759848505 MVIKXKSFGQTNRN-SNVBAGLBSA-N 194.274 2.686 30 20 AFED CCC(C=NOC1CCOCC1)CC 774453351 QRMAOUJYTZAUGL-UHFFFAOYSA-N 199.294 2.604 30 20 AFED C1CC([C@H]2CCC2=NOCC2CC2)C1 814941161 PJGYWZYPKSAFLI-LLVKDONJSA-N 193.290 2.979 30 20 AFED C=CCCCCOC(=O)c1cc[nH]c1 837561485 BWNRBNFTPGFWCZ-UHFFFAOYSA-N 193.246 2.528 30 20 AFED C=C(CC)C(=O)N(CCC)C(C)C 1123833056 UHARLRMBBJOFIT-UHFFFAOYSA-N 183.295 2.600 30 20 AFED C=C(CC)COc1ccc(C#N)cc1 85059135 QEGBCALTEDVUPW-UHFFFAOYSA-N 187.242 2.903 30 20 AFED C=CCCNCC(CC)CC 143560422 NJFRPHHSBJDXKE-UHFFFAOYSA-N 155.285 2.588 30 20 AFED C#CCCCN[C@@H]1CC[C@@H](C)C[C@@H]1C 227902166 VUEJZUFTNKBWIX-FRRDWIJNSA-N 193.334 2.814 30 20 AFED C=CC[C@H](C)Nc1cncc(Cl)n1 227983421 UTNOKFOOJCQQFQ-ZETCQYMHSA-N 197.669 2.507 30 20 AFED C=CCCC[C@@H](C)NC(C)C 307889059 XOVLHFFOCFAWMI-SNVBAGLBSA-N 155.285 2.729 30 20 AFED CON=C(C)c1cc(C)sc1C 308022831 WSHLCNHTTQCWEX-UHFFFAOYSA-N 183.276 2.735 30 20 AFED CSCCON=C1CCC[C@H]2C[C@@H]12 378792268 OHRNWMGJYQHCAA-DTWKUNHWSA-N 199.319 2.542 30 20 AFED CCCCNN=C1CC[C@@H](C)C1 382378113 IQIDKJCJKJVEOT-SECBINFHSA-N 168.284 2.552 30 20 AFED C#C[C@H](N[C@@H](C)C(C)C)C(C)(C)C 388763029 DYNJDTNWYXZUFQ-QWRGUYRKSA-N 181.323 2.668 30 20 AFED N#CCC[C@H](C#N)CNc1ccccc1 591628340 BAFXYKWQQMJJTF-LLVKDONJSA-N 199.257 2.542 30 20 AFED C=CCCN1[C@@H](C)CCC1(C)C 650287031 KGMSAWDUDGHPSF-JTQLQIEISA-N 167.296 2.825 30 20 AFED CC[C@@H]1CC(=NOCC(C)C)CCO1 749625910 KCACPCYPXSRGKH-LLVKDONJSA-N 199.294 2.604 30 20 AFED 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195.237 2.822 30 20 AFED C=CCC[C@H](C)NCCc1ccco1 126719741 LUWBRYBRGANKPW-NSHDSACASA-N 193.290 2.766 30 20 AFED C#C[C@H](C)N[C@@H]1CCC[C@H](C2CC2)C1 166390401 RTRLFBWMZQDGAJ-WCFLWFBJSA-N 191.318 2.567 30 20 AFED C[C@H](C#N)CNC[C@@H]1CCCC[C@@H]1C 218438783 VEFCEASBEROAND-WOPDTQHZSA-N 194.322 2.562 30 20 AFED N#CC[C@@H]1C[C@@H]2CCCC[C@@H]12 250866399 RLCOGUYXTJTRSK-IVZWLZJFSA-N 149.237 2.726 30 20 AFED CC(C)c1cnc(NCCC#N)s1 306189534 DCXLAGYKUALTJT-UHFFFAOYSA-N 195.291 2.592 30 20 AFED C=C(Cl)CSC[C@@H]1CCCO1 307732682 QJCWCSYMLWAZEY-QMMMGPOBSA-N 192.711 2.651 30 20 AFED C=C(CC)CN1CC=C(C)CC1 307758328 OJVVNUVAFUGEFA-UHFFFAOYSA-N 165.280 2.605 30 20 AFED C#C[C@H](C)NCCC1CCCCCC1 379656051 KTPBJWIPOWTZKG-LBPRGKRZSA-N 193.334 2.958 30 20 AFED C=CCCN(C#N)c1ccccc1 388701832 NLSLBOALSGTZIA-UHFFFAOYSA-N 172.231 2.550 30 20 AFED C[C@@H]1CCC(=NNC2CC2)C[C@H]1C 393715890 QZRFDSLIHFCRLA-RKDXNWHRSA-N 180.295 2.551 30 20 AFED CON=C(C)c1ccccc1SC 393715984 SHUAAWZLHSASFU-UHFFFAOYSA-N 195.287 2.779 30 20 AFED C=CC[C@H](C)NC[C@H](OC)[C@@H](C)CC 638608599 DYCPLUKWMCHZFW-SRVKXCTJSA-N 199.338 2.602 30 20 AFED C=C(C)CN(C)C(=O)CC(CC)CC 679205902 OWGXJNNHMYSZMX-UHFFFAOYSA-N 197.322 2.847 30 20 AFED CCCCN(O)C(=O)CCC1(C)CC1 900683113 VHQYBFXLUZENHQ-UHFFFAOYSA-N 199.294 2.585 30 20 AFED C=CCN1C[C@@H](C)c2ccccc21 39074639 JSGUCJRDMYGLJD-SNVBAGLBSA-N 173.259 2.796 30 20 AFED C[C@H]1CCC[C@@H](NCCCCC#N)C1 49578397 LDCINABVDRSHLQ-NWDGAFQWSA-N 194.322 2.849 30 20 AFED C=C(CC)CN[C@H]1CC[C@@H](C)C1 128902124 LSAKJDTVQQUSBW-MNOVXSKESA-N 167.296 2.731 30 20 AFED C=CC[C@H](C)[C@H](C)NCC(C)(C)C#N 134976793 LORSJYQIRBFYEW-QWRGUYRKSA-N 194.322 2.726 30 20 AFED C=CCC[C@H](C)NCCCCCOC 230660158 MYRICXUQFBNVHQ-LBPRGKRZSA-N 199.338 2.747 30 20 AFED C=C(C)COC(=O)/C=C(/C)CCC 308248415 ZIHZJIRGELAEQB-YFHOEESVSA-N 182.263 2.852 30 20 AFED C=CCNc1cc(C)sc1[N+](=O)[O-] 596055710 MPLPQIOKPFJQSC-UHFFFAOYSA-N 198.247 2.563 30 20 AFED C=C(CC)CNC(=O)CC(C)(C)CC 654375416 PANSSSVVQYRSFU-UHFFFAOYSA-N 197.322 2.895 30 20 AFED C=C[C@H]1CCCCN1C(=O)CCCC 683788369 ODKQIIOJXUAFRH-NSHDSACASA-N 195.306 2.744 30 20 AFED C=C(C)CON=C(CCOC)C(C)C 844619193 UXYGHMNGVHHTCB-UHFFFAOYSA-N 199.294 2.628 30 20 AFED C=CCCCOC(=O)c1cocc1C 859779848 PRRJSERVQLJBQM-UHFFFAOYSA-N 194.230 2.711 30 20 AFED C=C1CC(c2noc(/C(C)=C\C)n2)C1 896885247 ZKUJGCWCUCGWEF-YWEYNIOJSA-N 190.246 2.926 30 20 AFED C#CCN(CC/C=C/CC)CC1CC1 1325574304 MOKBKVWLMKCFAH-AATRIKPKSA-N 191.318 2.688 30 20 AFED N#Cc1nccc2cc(Cl)ccc12 82766637 QVPCDDYPMTUZGK-UHFFFAOYSA-N 188.617 2.760 30 20 AFED C#CCCCNCC1CCCCC1 160971405 INJDZSCWTCMMSV-UHFFFAOYSA-N 179.307 2.570 30 20 AFED C=CCC[C@H](C)N[C@@H](C)CC=C 164629866 WSXCMTFDTBKLFQ-QWRGUYRKSA-N 167.296 2.895 30 20 AFED C=C(CC)CN[C@@]1(CCC)CCOC1 308724767 GABRGAZCXSGRBV-LBPRGKRZSA-N 197.322 2.501 30 20 AFED C#C[C@H](C)N[C@H](C)[C@@H](C)CCCC 379409104 CEWRGFOOXFZPNL-SDDRHHMPSA-N 181.323 2.813 30 20 AFED C#C[C@H](N[C@H](C)[C@H](C)CC=C)C(C)C 389293461 JAZRLQVRSUMFDC-UPJWGTAASA-N 193.334 2.835 30 20 AFED C[C@@H](CCC#N)CN[C@H](C)C1CCC1 602578742 FMRSKXTWEFJTGW-WDEREUQCSA-N 194.322 2.704 30 20 AFED C=C(CC)Cn1cnc(C(C)(C)C)n1 642337507 RWWDRYRDXRQCNG-UHFFFAOYSA-N 193.294 2.542 30 20 AFED C=C(C)CN1CC[C@](C)(CC)C1 675186126 KCHGZIXZXRGNDI-NSHDSACASA-N 167.296 2.685 30 20 AFED C=C[C@](C)(CC)C(=O)OCC1CCC1 785757997 QYRRGQVVMBWGDH-GFCCVEGCSA-N 196.290 2.932 30 20 AFED COCCCON=C1CCCC[C@@H]1C 795056206 VDYKQMRSDMGECD-JTQLQIEISA-N 199.294 2.606 30 20 AFED C#CCCCC(=O)OCC(CC)CC 798891835 URPRDPJWHTZUGS-UHFFFAOYSA-N 196.290 2.769 30 20 AFED C#CCN1CC[C@@H](C(C)(C)C)C[C@H]1C 805839921 VLTMIROQGZYALN-VXGBXAGGSA-N 193.334 2.766 30 20 AFED C=C1CC(c2noc([C@@H]3C[C@H]3C)n2)C1 896878332 YFOHZHKFEGWGKN-VXNVDRBHSA-N 190.246 2.627 30 20 AFED CC#CCN[C@H](C)c1ccc(C)s1 51663510 WXBBYWZYPXJOCX-SNVBAGLBSA-N 193.315 2.730 30 20 AFED C#CCCN(CC)c1ccccc1C 70159665 SJWBHYYMNJUCPI-UHFFFAOYSA-N 187.286 2.845 30 20 AFED C=C(C)COCCN[C@H](C)[C@@H](C)CC 161880213 IPLIIZSLXMEBIU-NWDGAFQWSA-N 199.338 2.603 30 20 AFED 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S[C@@H]1CCC[C@@H](C2CC2)C1 81625915 ZVWYMEBQYJDJSZ-RKDXNWHRSA-N 156.294 2.885 30 20 AFED FC(F)(F)C1CCC2(CC1)CO2 82862714 WQJFXLZJCDIBSS-UHFFFAOYSA-N 180.169 2.508 30 20 AFED C#CCCCCNCC1CCCCC1 125745892 IODRNQJORZSZQN-UHFFFAOYSA-N 193.334 2.960 30 20 AFED C=CCC[C@H](C)N[C@H](C)C1CC1 126730023 KBDHSIOPRGFZTJ-VHSXEESVSA-N 167.296 2.729 30 20 AFED C=C(C)COc1cccc(F)c1F 306467318 KNOZASAVXWQTNW-UHFFFAOYSA-N 184.185 2.920 30 20 AFED CCC[C@H](CC)SCC#N 306572853 PRLGUZOPJPOODN-QMMMGPOBSA-N 157.282 2.822 30 20 AFED N#C[C@@H]1O[C@]12CCCCc1ccccc12 306643826 XVCYQUSGXTXWGP-STQMWFEESA-N 199.253 2.531 30 20 AFED C#CCCN1CC[C@H](CC(C)(C)C)C1 307823781 SZMBUOHTIXXSOK-GFCCVEGCSA-N 193.334 2.768 30 20 AFED C=CCCSc1nnc(CCC)o1 308230281 OKUXZVALVVMIIB-UHFFFAOYSA-N 198.291 2.690 30 20 AFED CCC(CC)NN=C1C=C(C)CC1 308248027 YROLMJWFOKXHNV-UHFFFAOYSA-N 180.295 2.861 30 20 AFED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CC 336262012 LVFQNDVYZBUHKL-WDEREUQCSA-N 195.306 2.600 30 20 AFED C=CC1CCN(C/C=C\Cl)CC1 379327664 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167.296 2.685 30 20 AFED C=CCC[C@H](C)N[C@H]1CSC[C@H]1C 308321006 BDTLRWZLQAZDJV-VWYCJHECSA-N 199.363 2.682 30 20 AFED CC#CCNc1cccc2c1ccn2C 309025777 ZUYOOTPQVNSXCK-UHFFFAOYSA-N 198.269 2.614 30 20 AFED C=C(C)CN(C)CCCC(C)(C)C#N 611501115 MMOHQCRHYAPEQX-UHFFFAOYSA-N 194.322 2.824 30 20 AFED CC[C@@H]1CCC[C@H](C=NNC2CC2)C1 758126277 DQYSRJMGOYHEPQ-MNOVXSKESA-N 194.322 2.941 30 20 AFED CCOCCC=NNc1ccccc1 788409585 VHYDNQUVZDKHPQ-UHFFFAOYSA-N 192.262 2.511 30 20 AFED CC(C)CCC=NO[C@H]1CCCCO1 814888022 VVLDULRKWGIKHJ-NSHDSACASA-N 199.294 2.952 30 20 AFED CC(=NOC(C)C)c1cccc(F)c1 835004617 ZFTKROPASATJFN-UHFFFAOYSA-N 195.237 2.975 30 20 AFED C=CCC(C)(C)C(=O)N(O)CCCC 904213642 VPEMFJRFLKLSEE-UHFFFAOYSA-N 199.294 2.607 30 20 AFED C=C(C)CCC(=O)NCC[C@@H](C)CC 1337371049 UUIRGZPKZCVTJI-NSHDSACASA-N 197.322 2.895 30 20 AFED C=CC1(OC(=O)CCC(=C)C)CC1 1344293451 ZMLJRCFAIZOMIT-UHFFFAOYSA-N 180.247 2.605 30 20 AFED C[C@H](C#N)CNCCC1CCCCC1 37741809 YRQVONDBUJIBNN-LLVKDONJSA-N 194.322 2.706 30 20 AFED CC[C@@H](C)CN(C)CCCCC#N 49579381 UPQOHMRMAPTCGX-LLVKDONJSA-N 182.311 2.658 30 20 AFED C=CC(=O)c1ccc(F)c(C)c1 71495736 XVECKMZKWKBVMR-UHFFFAOYSA-N 164.179 2.503 30 20 AFED C=CCCN[C@@H](C)c1c(C)noc1C 86110288 AOIXPOPAIWFHJS-QMMMGPOBSA-N 194.278 2.518 30 20 AFED C=C(C)Cn1ccc2cc(N)ccc21 108253513 OQIROPNXTCGTTN-UHFFFAOYSA-N 186.258 2.800 30 20 AFED CCC#C[C@@H](C)N[C@H]1CCCC1(C)C 306577549 VLLZFZLZPMWJDA-NEPJUHHUSA-N 193.334 2.957 30 20 AFED C=C(CC)CNC[C@H]1C[C@H]2C=C[C@H]1C2 313496051 YJURAIXTDNJNJK-RWMBFGLXSA-N 191.318 2.754 30 20 AFED C=CCCNc1cccc(OC)c1F 379663944 UHESGZNILATCMW-UHFFFAOYSA-N 195.237 2.822 30 20 AFED C#C[C@@](C)(CC)NCCCC(C)C 384177089 OPCJDLHNKJGFDJ-LBPRGKRZSA-N 181.323 2.814 30 20 AFED C=CC[S@@](=O)[C@@H](C)c1ccccc1 526864772 IJFUZKQOQZCYOZ-GXFFZTMASA-N 194.299 2.682 30 20 AFED CCO/C=C/c1ccc(C#N)cc1 575442324 UNWSACYQPMYFFU-BQYQJAHWSA-N 173.215 2.565 30 20 AFED N#Cc1ccc(N[C@H]2C=CCC2)cc1 584634512 JFKSPXYLRDFKGJ-NSHDSACASA-N 184.242 2.689 30 20 AFED CC[C@@H]1CCC[C@H]1N[C@@H](C)CCC#N 591032681 YHMKEFRLVHYPGB-QJPTWQEYSA-N 194.322 2.847 30 20 AFED CC#CCCN1CC[C@@](C)(CC)C1 680884613 LDDKFQFWAOHHHS-GFCCVEGCSA-N 179.307 2.522 30 20 AFED C#Cc1cccc(N(C)CC(C)C)c1 728574242 KTKOFHUSTPIHFF-UHFFFAOYSA-N 187.286 2.760 30 20 AFED C=C(C)COC(=O)C[C@H]1CCC[C@@H]1C 769175502 ZDXUESMXQUHRES-WDEREUQCSA-N 196.290 2.932 30 20 AFED CC[C@H](C)CON=C[C@@H](C)CCC#N 793146441 RTWIJWXBLLLYFT-QWRGUYRKSA-N 196.294 2.975 30 20 AFED C=CC(C)(C)C(=O)OC1CC(C)C1 835456742 WQOZEEZPCSIVBF-UHFFFAOYSA-N 182.263 2.540 30 20 AFED COCCON=C1CCCCC[C@@H]1C 844583992 KHSJBXLSPUIFQN-JTQLQIEISA-N 199.294 2.606 30 20 AFED C[C@@H]1CC[C@@H](C)C(=NN2CCC2)C1 872398274 LXZLXBXOPXUSLX-NXEZZACHSA-N 180.295 2.504 30 20 AFED CN(CCCC#N)c1ccccc1F 50004024 XQWQLHJCXCJWPS-UHFFFAOYSA-N 192.237 2.566 30 20 AFED CC[C@@H](CC#N)N[C@@H]1CCCC1(C)C 86857339 ZWWNZLZBTAYRSE-WDEREUQCSA-N 194.322 2.847 30 20 AFED C=CCC[C@H](C)NCc1cccnc1 96034254 IDJCSUYLBJTNKJ-NSHDSACASA-N 190.290 2.526 30 20 AFED 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AFED C#CC[C@@H](NCC=C)c1ccccc1 308662495 QULCISTUORQQEA-CYBMUJFWSA-N 185.270 2.527 30 20 AFED CCC1(N[C@H]2CCC[C@H](C#N)C2)CC1 334669910 JMOHBOAARCLBDM-QWRGUYRKSA-N 192.306 2.601 30 20 AFED CC(C)Cn1nc(C#N)c2ccccc21 335122850 APNGYSZBWLLMJW-UHFFFAOYSA-N 199.257 2.564 30 20 AFED C=CCCCCCCN[C@H](C)COC 379582701 MEMLDIZEBYPVLA-GFCCVEGCSA-N 199.338 2.747 30 20 AFED C=CC(C)(C)CNCCCC 384965224 OFNXVHSFBZQGSR-UHFFFAOYSA-N 155.285 2.588 30 20 AFED C[C@@H](CCC#N)SC[C@@H]1CCCO1 591129706 XLHUZRNNXKVIKL-UWVGGRQHSA-N 199.319 2.591 30 20 AFED N#Cc1cccc(NCC2CC=CC2)c1 596029687 ZIOOEHAYVFIBAV-UHFFFAOYSA-N 198.269 2.936 30 20 AFED C#CCN1CCC[C@@H]1C1CCCCC1 606264698 MCOFZKJORLHLPH-CYBMUJFWSA-N 191.318 2.664 30 20 AFED CC#CCCN1CCC[C@H](CC)C1 680882453 RUNRDEXOKGIYAW-LBPRGKRZSA-N 179.307 2.522 30 20 AFED C=CCCCC(=O)N(OCC)C(C)C 844076399 NEUHCLVPGDDXRW-UHFFFAOYSA-N 199.294 2.531 30 20 AFED CCCC(CCC)=NN1CCC1 872395016 STYVPCTTZGZHOB-UHFFFAOYSA-N 168.284 2.648 30 20 AFED C=C[C@@H](CC)CC(=O)NC(CC)CC 929202241 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AFED C=CC[C@H](C)N[C@@H]1CC[C@H]1CC 394259321 KDOHXUVOVJSAII-HBNTYKKESA-N 167.296 2.729 30 20 AFED C[C@@H]1CCC[C@H](CNCCC#N)[C@@H]1C 591764339 FPDLDAOWVIVJGQ-IJLUTSLNSA-N 194.322 2.562 30 20 AFED CCN(CCC1CCCC1)[C@@H](C)C#N 595814616 WQHVMLKPBJYGCV-NSHDSACASA-N 194.322 2.801 30 20 AFED C=C(C)CN(C)[C@H](C)CCSC 609895592 UGAAIYOBIBGONB-SNVBAGLBSA-N 187.352 2.636 30 20 AFED C=C(C)CCNC(=O)[C@H](C)[C@H](C)CC 650928269 VAGRSPLAWUFPIV-GHMZBOCLSA-N 197.322 2.751 30 20 AFED C=C(C)CN(CC)C(=O)CC1(C)CC1 683191222 XHRMHNSJHGDKEI-UHFFFAOYSA-N 195.306 2.601 30 20 AFED C=CCCCCCOc1nc(C)no1 683739069 NJHNLUPYXLQZJD-UHFFFAOYSA-N 196.250 2.503 30 20 AFED CC/C=C/CN[C@H](C)CC(C)(C)C#N 695834259 BINFZHNFCMQRTN-XUIVZRPNSA-N 194.322 2.871 30 20 AFED C(=NOCC1CC1)[C@H]1C[C@H]2CC[C@H]1C2 814243454 WUMVXVBEQRQJPA-SDDRHHMPSA-N 193.290 2.835 30 20 AFED C=C(CC)CNC(=O)/C=C(/C)CCC 837101277 RTABOJNUGSRNML-FLIBITNWSA-N 195.306 2.815 30 20 AFED C=C[C@H](C)ON=Cc1ccccc1C 844622959 JLFMZVAIHBJBGE-NSHDSACASA-N 189.258 2.920 30 20 AFED C=CC(C)(C)CNC(=O)C(C)(C)CC 1325398311 ZQKGHFRRQHYHEZ-UHFFFAOYSA-N 197.322 2.751 30 20 AFED C=C(Cl)CNCc1ccccc1C 37855413 NVZMMEDYMRULOU-UHFFFAOYSA-N 195.693 2.837 30 20 AFED CCCOc1ccccc1CCC=O 114829386 LKWGFJAQZYCEHR-UHFFFAOYSA-N 192.258 2.607 30 20 AFED C=C[C@H](C)N[C@H](C)[C@H](C)CC 157221570 NDMLDSORTHLFHV-KXUCPTDWSA-N 155.285 2.585 30 20 AFED C=CCCOCCN[C@H](C)CCCC 222447035 JIKKGKNFYZDOBI-GFCCVEGCSA-N 199.338 2.747 30 20 AFED C=CCCCCNCc1cncs1 308218808 NLCCGDJKJLMIDP-UHFFFAOYSA-N 196.319 2.589 30 20 AFED C=CCC[C@H](C)N[C@H]1CCS[C@@H]1C 379390834 SFSNRULDLHPKKF-AXFHLTTASA-N 199.363 2.825 30 20 AFED C=C(CC)CN(CC)CCSC 592205033 WRBDBDBGWLXFNY-UHFFFAOYSA-N 187.352 2.638 30 20 AFED C=CCCNc1sccc1[N+](=O)[O-] 596413091 MIVORARUBIDDCA-UHFFFAOYSA-N 198.247 2.644 30 20 AFED CC1CC(CNC[C@@H](C)CCC#N)C1 602714424 IYRRYCKLEOSGCV-UNXYVOJBSA-N 194.322 2.562 30 20 AFED CC#CCN1CC(C)(C)[C@@H]2CCC[C@@H]21 645248337 AFKHMNHGAZBULW-NEPJUHHUSA-N 191.318 2.520 30 20 AFED CON=Cc1ccc(C(C)(C)C)cc1 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30 20 AFED C=CCCCC(=O)OCCCCF 308409719 NVMHRECHLJTJMU-UHFFFAOYSA-N 188.242 2.636 30 20 AFED C=CC(C)(C)CNCc1ccoc1C 320979346 PQMJKGYRGFQZML-UHFFFAOYSA-N 193.290 2.890 30 20 AFED C=CCCc1noc(C2CCCC2)n1 351133497 SCKGHNPSGSVIKA-UHFFFAOYSA-N 192.262 2.846 30 20 AFED CC(C)(C)C=NOC(C)(C)C 379263638 PCPCUGQGKPLPQC-UHFFFAOYSA-N 157.257 2.833 30 20 AFED CCON=C(C)c1ccccc1C 379365305 OOWXGRZFCZVZPD-UHFFFAOYSA-N 177.247 2.756 30 20 AFED C=CCCCC(=O)N[C@@H](C)CCC 388261758 DGEVZHBGVWEQAS-JTQLQIEISA-N 183.295 2.648 30 20 AFED CC[C@H](C)NN=C1CCCC1(C)C 388593129 MRVORUTXFXKKPT-VIFPVBQESA-N 182.311 2.941 30 20 AFED CC1C[C@@H]2CC[C@H](C1)N2CCCC#N 595858274 VHICARZDXZNNOP-YOGCLGLASA-N 192.306 2.553 30 20 AFED C=C(C)c1cc(C)cc2c1CCNC2 629729754 BVHZUXBDCGAUII-UHFFFAOYSA-N 187.286 2.674 30 20 AFED CCCCCOC(=O)[C@@](C)(C#N)CC 796839430 PGGWEHSSEYJJDV-LLVKDONJSA-N 197.278 2.660 30 20 AFED C/C=C/COC(=O)CCCCCC#N 805697202 VJMJSSKYVGPELI-NSCUHMNNSA-N 195.262 2.580 30 20 AFED C#CCON=C1C[C@@H](C)c2ccccc21 812233173 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2.849 30 20 AFED CC1(C)CCCN1CC1(C#N)CCC1 336201739 GYCUWDLOALZKLW-UHFFFAOYSA-N 192.306 2.555 30 20 AFED CCCCC[C@@H](C)NCC1(C#N)CC1 379614672 XWKUPGZYZVWMLX-LLVKDONJSA-N 194.322 2.849 30 20 AFED C=CCCCS[C@@H](C)COC 388127802 QUAIFDGLCQTIGY-VIFPVBQESA-N 174.309 2.721 30 20 AFED CCCCNC1CCC(C)(C#N)CC1 590643628 WMJZXIJXFTWRRO-UHFFFAOYSA-N 194.322 2.849 30 20 AFED C[C@@H](CCC#N)N1[C@H]2CCC[C@H]1CC2 591016333 QSKAPYFGVMTAPG-SRVKXCTJSA-N 192.306 2.696 30 20 AFED C=CCCCCN1C[C@@H](C)[C@@H](C)C1 649332167 UICNXEPOBZKYPD-TXEJJXNPSA-N 181.323 2.931 30 20 AFED CCON=C[C@@H]1CCc2ccccc21 755628873 XCOCGJOVGSUBTE-NSHDSACASA-N 189.258 2.739 30 20 AFED C=CC(C)(C)C(=O)OC(CC)CC 837861929 IZRVDQPNPYXRGT-UHFFFAOYSA-N 184.279 2.930 30 20 AFED CCC(CC)NN=C1CCC[C@H]1F 872352941 NORRMYWISRRXAB-SECBINFHSA-N 186.274 2.643 30 20 AFED C=CCCN[C@@H](C)CSCCC 895330864 RIMVYJKRVKPHQY-JTQLQIEISA-N 187.352 2.684 30 20 AFED C=CCC1(NC(=O)C=C)CCCCC1 1120460987 UWERRZRPCNWCAB-UHFFFAOYSA-N 193.290 2.568 30 20 AFED C=C[C@@H](C)c1ccccc1N 34087482 BNCOLDPMKTYQBY-MRVPVSSYSA-N 147.221 2.558 30 20 AFED C=C(CC)CN[C@@H](C)c1ccncc1 85057439 YIJZVHFWEXPUQQ-NSHDSACASA-N 190.290 2.698 30 20 AFED C[C@H]1C[C@@H]1CNCC(C)(C)CCC#N 126676002 CHBZHBCPEGKKGD-WDEREUQCSA-N 194.322 2.562 30 20 AFED C#CCCCN[C@@H](C)c1ccccc1 160661188 GVRWMKMYTSKIFR-LBPRGKRZSA-N 187.286 2.751 30 20 AFED C=C(C)CNc1nc2ccccc2o1 167627155 FWKQWMQGJNOPFW-UHFFFAOYSA-N 188.230 2.816 30 20 AFED C=C(C)CCNCc1cccc(F)c1 168953659 YOLJRMHVMFXFSD-UHFFFAOYSA-N 193.265 2.882 30 20 AFED C=C(C)CCNCCC(C)(C)C 169032341 JGCMBZWWKXNAJR-UHFFFAOYSA-N 169.312 2.978 30 20 AFED C#Cc1cccc(N(C)CCC)c1 306718066 WAWYBPWYDNJZHJ-UHFFFAOYSA-N 173.259 2.514 30 20 AFED C=C[C@@H](C)Nc1ccnc(CC)c1 307555185 XUVVHNVDZYJZHY-SECBINFHSA-N 176.263 2.630 30 20 AFED CC(C)C[C@@H](C)C1(C=O)CC1 307738307 HLLZCKDVAPEFEA-SECBINFHSA-N 154.253 2.648 30 20 AFED C=CCCCCC[C@@H](C)NCCOC 308611255 QSWVEQMUTBGGSP-GFCCVEGCSA-N 199.338 2.747 30 20 AFED CCCCCCN[C@@H]1CC[C@H](C#N)C1 308727680 HMBFDEMBHHTPMU-NWDGAFQWSA-N 194.322 2.849 30 20 AFED C=CCCN(C)Cc1ccc(F)cc1 606896338 IIOYONGPULTVAA-UHFFFAOYSA-N 193.265 2.834 30 20 AFED C=C(CC)CN[C@@H](C)C1(Cl)CC1 695658351 MOTFJPQEYCTNCK-VIFPVBQESA-N 187.714 2.702 30 20 AFED CC1CC(N[C@H](C)CC(C)(C)C#N)C1 710001560 OYYCUGXVDJULQY-HSOILSAZSA-N 194.322 2.703 30 20 AFED C=C[C@@H](C)ON=C1CC[C@@H]1CC 844626489 WKCARXILSYUGTD-BDAKNGLRSA-N 167.252 2.754 30 20 AFED Cc1cc(C)c([C@H](C)C=O)c(C)c1 36156290 XVHRMXVOEASTFV-LLVKDONJSA-N 176.259 2.914 30 20 AFED C=CCCN[C@@H](C)Cc1cccs1 70592409 FJFDUJGQFDTNTJ-JTQLQIEISA-N 195.331 2.845 30 20 AFED C=C[C@@H](C)N[C@H](C)c1cnccc1C 129237067 YDGCEXFSOMGYSW-GHMZBOCLSA-N 190.290 2.615 30 20 AFED C=CC[C@@H](C)N[C@H](CC)C1CC1 161660184 PHXTZHVMGFJDGW-MWLCHTKSSA-N 167.296 2.729 30 20 AFED C=CCN1CCc2c(C)cccc2C1 200956817 SIMNYTAEYJAYHJ-UHFFFAOYSA-N 187.286 2.539 30 20 AFED C[C@@H]1CC(=NNC2CC2)C[C@@H](C)C1 306596737 VSMNGGLLOXWUDO-IUCAKERBSA-N 180.295 2.551 30 20 AFED C(=NOC1CCCC1)c1ccco1 308260982 MKJVSTWUUPSTPT-UHFFFAOYSA-N 179.219 2.573 30 20 AFED CCCNN=C[C@H]1CCCC[C@@H]1C 379408794 BQJIWLYDXDYMTG-WDEREUQCSA-N 182.311 2.798 30 20 AFED CCC(=NOCC1CC1)C(C)C 388383537 VVPHDNSQTWHKIJ-UHFFFAOYSA-N 169.268 2.835 30 20 AFED CC[C@@H](CC#N)NCCC=C(C)C 397708333 NXJQNAOIMWBYSR-NSHDSACASA-N 180.295 2.625 30 20 AFED C[C@H](CCC#N)NC1(C2CCC2)CC1 593081230 LHTRRWJRLZXLIN-SNVBAGLBSA-N 192.306 2.601 30 20 AFED C=C(CC)CSC1CC(OC)C1 600624277 BYHXRFSSCXDSEC-UHFFFAOYSA-N 186.320 2.863 30 20 AFED C[C@H]1C[C@H]1C=NNc1ccc(F)cc1 758357819 BUGKRFBFTVNNSE-IUCAKERBSA-N 192.237 2.879 30 20 AFED Cc1ccc(C=NOCC(F)F)cc1 758904937 WGLFLSOIWCGPGP-UHFFFAOYSA-N 199.200 2.611 30 20 AFED C#CCCOc1ccc2ncccc2c1 760350445 KYRJIBTUIFNFLX-UHFFFAOYSA-N 197.237 2.637 30 20 AFED CCCON=CC[C@@H](C)CC 842552159 XUXQVGVHUPSYIQ-VIFPVBQESA-N 157.257 2.835 30 20 AFED C[C@@H]1CCCC[C@@H]1NCCCCC#N 42223066 KHZAXUGDWHLCAJ-NEPJUHHUSA-N 194.322 2.849 30 20 AFED C[C@@H](CS)C(C)(C)C 219721036 TWIPAVFPLRWUHZ-LURJTMIESA-N 132.272 2.598 30 20 AFED N#CC1(COc2ccccc2F)CC1 259987348 FGRFDELJVXMFDK-UHFFFAOYSA-N 191.205 2.508 30 20 AFED CCSCc1ccc(F)cc1C#N 260864227 WOTSWVSIGIZFMJ-UHFFFAOYSA-N 195.262 2.950 30 20 AFED CCC(C)=NOC1CCCC1 307903436 PIBWPJKNAXZMEY-UHFFFAOYSA-N 155.241 2.732 30 20 AFED C=CC[C@H](CC)NCc1ccccn1 308539300 UDRNXMZNVKEIGA-NSHDSACASA-N 190.290 2.526 30 20 AFED C#C[C@@](C)(CC)NCCCCCF 384141111 DJGIWLPQGUHCJV-NSHDSACASA-N 185.286 2.518 30 20 AFED CC(C)N(CC1(CC#N)CC1)C(C)C 602800485 WREFBXMBCLBXFC-UHFFFAOYSA-N 194.322 2.799 30 20 AFED C[C@@H](CC(C)(C)C#N)NCC1(C)CC1 695888009 UJAHNGNGFJOQSQ-JTQLQIEISA-N 194.322 2.704 30 20 AFED C=CCON=Cc1ccc(CC)cc1 754779227 SZKJYIUXORVVGG-UHFFFAOYSA-N 189.258 2.786 30 20 AFED C=CCNN=C1CCC[C@@H]1CCCF 795003957 RYIJMLULLWZCHC-SNVBAGLBSA-N 198.285 2.668 30 20 AFED C=C(C)c1cccc(OCC)n1 844235578 DRNJFWPCXLIFLI-UHFFFAOYSA-N 163.220 2.513 30 20 AFED C=CC1(OC(=O)C[C@@H](C)CC)CC1 893364558 XVLJPCGRIVRZQO-VIFPVBQESA-N 182.263 2.684 30 20 AFED C=CCSc1ccccc1O 50046760 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180.295 2.718 30 20 AFED C=CCCC[C@H](C)N[C@H](C)[C@@H](C)OC 308627599 XHMSZKHAOSKBRX-QJPTWQEYSA-N 199.338 2.744 30 20 AFED CC[C@H](C)NC1CCC(C)(C#N)CC1 336228334 CKPYKDZPGZMOOQ-UNXYVOJBSA-N 194.322 2.847 30 20 AFED C=CC[C@H](C)[C@H](C)N[C@@H](C)CF 379318755 MVMJGQYZJCAWCH-GUBZILKMSA-N 173.275 2.535 30 20 AFED C=CC[S@@](=O)CCCCCCC 526867004 SGMAQLUMFDZPDK-GFCCVEGCSA-N 188.336 2.892 30 20 AFED C=C(C)c1cc(C(=O)OC)ccc1C 592989508 RQIJWRGJXPDUAK-UHFFFAOYSA-N 190.242 2.815 30 20 AFED C=CCCCNC(=O)C(C)(C)C1CC1 673142935 XMLZWQSLZWZHGG-UHFFFAOYSA-N 195.306 2.505 30 20 AFED C#CCCN1CCCC[C@H]1CC(C)C 760861941 ZAMBZXGNCIUECL-ZDUSSCGKSA-N 193.334 2.910 30 20 AFED CC#CCCN(C)c1ccc(C)cc1 764953218 LFOJXOIXXAYPFQ-UHFFFAOYSA-N 187.286 2.845 30 20 AFED CCC(=NN[C@H](C)CC)[C@H]1C[C@H]1C 841636618 CEOSJRTXRTVAQV-BBBLOLIVSA-N 182.311 2.797 30 20 AFED Oc1ccccc1/C=N\[C@H]1C=CCC1 849169610 DZAJWPOBLMAGSE-KWJWQAOWSA-N 187.242 2.530 30 20 AFED CC(C)CC=NN1CCCC[C@@H]1C 853379520 IHPABVRACLOQOW-NSHDSACASA-N 182.311 2.893 30 20 AFED C=C(CC)CNc1cccc(C#N)c1 85057105 AFABZAAUADOBPF-UHFFFAOYSA-N 186.258 2.936 30 20 AFED C=C[C@H](C)NCc1ccc(C)c(C)c1 130482634 XUWLLUSDDZXXFB-LBPRGKRZSA-N 189.302 2.968 30 20 AFED C#CCCCN[C@@H]1C[C@@H](C)CC[C@@H]1C 229824466 YAHSWHWHMCXODW-RWMBFGLXSA-N 193.334 2.814 30 20 AFED C=CCCN[C@@H]1C[C@@H](C)C[C@@H](C)C1 252202645 WORPLADMRGSROM-GDNZZTSVSA-N 181.323 2.977 30 20 AFED C=CCCCN(C)Cc1ccco1 308277616 WJCIWTDEGXWKRZ-UHFFFAOYSA-N 179.263 2.678 30 20 AFED CCON=C/C=C/c1ccccc1 308300140 JYEFCAVFRGUNEI-IZSRKLPESA-N 175.231 2.722 30 20 AFED N#CCCCNCC1CCCCCC1 379600627 LBKCVJDDBGROFY-UHFFFAOYSA-N 194.322 2.850 30 20 AFED CC[C@H](NC[C@H](C)C#N)[C@@H]1CC1(C)C 397639024 XEIVXJUPGFSDBI-VWYCJHECSA-N 194.322 2.560 30 20 AFED C[C@H]1CCC[C@H](CCN(C)CC#N)C1 610681708 ILVZSMUAEZPWEV-NWDGAFQWSA-N 194.322 2.658 30 20 AFED C=CCCn1ccnc1[C@H](C)OCC 677845123 UIMUUKOMKRPKKU-JTQLQIEISA-N 194.278 2.557 30 20 AFED CCCCCCCN[C@H]1COC[C@H]1C 699461758 FOSGDDVSVGTFJD-NEPJUHHUSA-N 199.338 2.581 30 20 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197.237 2.787 30 20 AFED CC[C@H](S)c1cccc([N+](=O)[O-])c1 86895331 IQJMVRDPZBXKJH-VIFPVBQESA-N 197.259 2.976 30 20 AFED C=C[C@@H](C)Nc1cnc2ccccc2n1 130648161 FYMKSVYFJVLDSD-SECBINFHSA-N 199.257 2.616 30 20 AFED CC[C@@H](C)NCc1ccc(C#N)s1 135494936 KKOPVQNLLLRKPV-MRVPVSSYSA-N 194.303 2.508 30 20 AFED C=C(Cl)CSCCC(C)(C)O 218939732 FSYIBAZSECQMGP-UHFFFAOYSA-N 194.727 2.633 30 20 AFED C#CCCCCN[C@@H](C)CC1CC1 222295802 WDHKXKQIFRMNFB-NSHDSACASA-N 179.307 2.568 30 20 AFED C#C[C@H](NC1CCCCC1)C(C)(C)C 238145210 CDKHLGBUTYABAQ-LBPRGKRZSA-N 193.334 2.957 30 20 AFED C#C[C@H](CC)N[C@@H]1CCC[C@H](C)[C@H]1C 252943734 KSUFTTHOTQRDDK-UMSGYPCISA-N 193.334 2.813 30 20 AFED O=C[C@@]1(C/C=C/Cl)CCCS1 306737893 ZQBLZVGCFXEJTL-VRFQNRHZSA-N 190.695 2.594 30 20 AFED C=CCN1CC(C)(C)[C@@H]2CCC[C@H]21 307290241 MVPUPFWLDNMORA-GHMZBOCLSA-N 179.307 2.683 30 20 AFED C=CCN[C@]1(C)CCCC[C@H]1C 307487183 VSJDKZYRHKGLCA-GHMZBOCLSA-N 167.296 2.731 30 20 AFED Cc1cccc([C@@H](C)N(C)CC#N)c1 335233437 XBRFZBYJOGNYKJ-LLVKDONJSA-N 188.274 2.511 30 20 AFED C=CC[C@H](C)N[C@@H]1CCC[C@H]2C[C@H]21 378728845 VPTSROOCLPJBDE-NNYUYHANSA-N 179.307 2.729 30 20 AFED C=CCNc1cccc(C(=O)CC)c1 389196911 BAYCSKUJGGEPCS-UHFFFAOYSA-N 189.258 2.877 30 20 AFED C=CC(C)(C)C(=O)N[C@@H](CC)C1CC1 618875095 ZVPDZBRDJZBYEX-JTQLQIEISA-N 195.306 2.503 30 20 AFED C=C[C@](C)(CC)C(=O)NCC(C)(C)C 682358996 SYFMIGNHFFRJKG-GFCCVEGCSA-N 197.322 2.751 30 20 AFED C=CCCC(=O)Oc1ccc(C)cc1 726495866 QOGJNLLJQOCUBM-UHFFFAOYSA-N 190.242 2.867 30 20 AFED CC/C=C/CCOC(=O)CCCC#N 812615935 SUCZTSDGHVGHOK-ONEGZZNKSA-N 195.262 2.580 30 20 AFED CC(=NOCCC1CC1)c1ccc[nH]1 814245695 DILBEKKLRNAQGQ-UHFFFAOYSA-N 192.262 2.555 30 20 AFED CCON=C1C[C@H](C)CC[C@@H]1C 834937872 YFVLIZSCBJEYIK-BDAKNGLRSA-N 169.268 2.835 30 20 AFED C=CC(C)(C)C(=O)O[C@H](C)CCC 835340650 NYTVLIAUIZQLPZ-SECBINFHSA-N 184.279 2.930 30 20 AFED C#Cc1cccnc1NCC(C)(C)C 853231548 OOSDRDFIKLAHKT-UHFFFAOYSA-N 188.274 2.521 30 20 AFED CCCCNN=C(C)c1ccc(C)o1 915966016 JILGMUURMZTWEE-UHFFFAOYSA-N 194.278 2.702 30 20 AFED C#CCCNc1ccccc1OCC 70159528 KLTCJVDLKUQATK-UHFFFAOYSA-N 189.258 2.521 30 20 AFED C#CCCOc1ccc2[nH]ccc2c1 87723394 KCUQDPUXLRVDMD-UHFFFAOYSA-N 185.226 2.570 30 20 AFED CC[C@H]1CCN(CCC(C)(C)C#N)C1 133739013 FRDYHDINKRNHNG-NSHDSACASA-N 194.322 2.658 30 20 AFED C#CCCCN[C@@H]1CCCC[C@@H]1CC 161234709 PCOMWKAPSPEVPC-QWHCGFSZSA-N 193.334 2.958 30 20 AFED C=CCC[C@@H](C)N[C@H](C)CC=C 164630205 WSXCMTFDTBKLFQ-GHMZBOCLSA-N 167.296 2.895 30 20 AFED C#CCCCCN[C@H](C)CCC 222287109 WRKRMCVHBBECBI-LLVKDONJSA-N 167.296 2.568 30 20 AFED C=C(CC)CN1CCC(C)=C(C)C1 306413791 NGLZVFYFWMPIHW-UHFFFAOYSA-N 179.307 2.995 30 20 AFED C=CCN(CC)CCc1cccs1 308246825 WPXAAWIQFVZZKM-UHFFFAOYSA-N 195.331 2.799 30 20 AFED C=C[C@H]1CCCCN1CCC1CC1 308336221 NZVPPDZSMICJOU-LBPRGKRZSA-N 179.307 2.827 30 20 AFED C=C(CC)CNCc1ccc(Cl)o1 313481146 KZCBENQKSJXBRL-UHFFFAOYSA-N 199.681 2.989 30 20 AFED CC[C@H](C#N)SC1CCC1 335232137 MYKUNISPGPOXRH-SSDOTTSWSA-N 155.266 2.574 30 20 AFED CC1=CC[C@H](NCCCCC#N)CC1 389300130 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195.306 2.814 30 20 AFED C=C(C)COC(=O)C(C)(C)C(=C)C 819953959 YDYHOXSXNGQAHY-UHFFFAOYSA-N 182.263 2.708 30 20 AFED C=C(C)CN(CC)C(=O)/C=C(\C)CC 822465725 PQQYIHNMUBVQMA-DHZHZOJOSA-N 195.306 2.767 30 20 AFED C=CC(C)(C)CNC(=O)[C@H](C)CCC 1324525244 VOPBSWIVRNYYBS-SNVBAGLBSA-N 197.322 2.751 30 20 AFED CCC1CCC(S)CC1 26515398 JLIGGENJCYCGJQ-UHFFFAOYSA-N 144.283 2.885 30 20 AFED CC(C)CC[C@H](C)NC[C@@H](C)C#N 47979920 RDILSZOKQSFDOQ-QWRGUYRKSA-N 182.311 2.560 30 20 AFED C=CCN[C@@H]1CCC[C@H](C)[C@H]1C 49799966 TYHBEAAAFJXSQK-HBNTYKKESA-N 167.296 2.587 30 20 AFED C=CCC[C@H](NCC)c1ccco1 70594954 NSJXYYODFVEQBE-JTQLQIEISA-N 179.263 2.896 30 20 AFED C#CCCOc1c(C)cccc1C 82494104 ORCMXGSCULOHSK-UHFFFAOYSA-N 174.243 2.706 30 20 AFED C=C[C@H](N)c1c(F)cccc1Cl 95643605 NLJXBHXJWBMRSZ-QMMMGPOBSA-N 185.629 2.665 30 20 AFED C=C[C@H](C)NCc1cc(C)ccc1C 130428703 ANZFRRZSMBGKQA-LBPRGKRZSA-N 189.302 2.968 30 20 AFED C=C[C@H](C)Nc1nc(C)c(C)s1 130658424 DSKAAPUOPDQLFY-LURJTMIESA-N 182.292 2.746 30 20 AFED C=CCC[C@H](C)NCC(C)(C)OCC 166958966 AGDFYGLSBPXDGS-NSHDSACASA-N 199.338 2.746 30 20 AFED C=CCCNC(=O)CCC1CCCC1 168925331 ZVBKVPVWDFFTEN-UHFFFAOYSA-N 195.306 2.649 30 20 AFED C=CC[C@]1(O)C[C@@H](C)C[C@@H](C)C1 251681121 ALISUXPXNPFWMI-JGPRNRPPSA-N 168.280 2.750 30 20 AFED CCC(C)=NNCc1ccccc1 308293818 JABZFPWCWYROCS-UHFFFAOYSA-N 176.263 2.562 30 20 AFED C=CCCCC(=O)OCC(=C)CC 308316441 VUCDOVITZAHIEC-UHFFFAOYSA-N 182.263 2.852 30 20 AFED C=C(C)COCCN[C@@H](C)C(C)(C)C 308677004 WLXRKADGYXFFFE-NSHDSACASA-N 199.338 2.603 30 20 AFED C=CCCCN1CCS[C@@H](C)CC1 379386109 WMDAIFDVTCCXDG-NSHDSACASA-N 199.363 2.780 30 20 AFED C=CCCCN1CC[C@H]2CCC[C@@H]21 388694504 LVGRWCWKKUPFLU-NEPJUHHUSA-N 179.307 2.827 30 20 AFED C=CCON=C1CCC[C@@H]1CC 835015876 NVQCUWJEKJXVSA-VIFPVBQESA-N 167.252 2.755 30 20 AFED C=CC(C)(C)CC(=O)N(C)C1CCC1 878984286 ZKGOMCNPNVVHEH-UHFFFAOYSA-N 195.306 2.600 30 20 AFED C=CCCCc1nnc(CC(C)C)o1 1118418622 VFHBEAHDOQCGPV-UHFFFAOYSA-N 194.278 2.777 30 20 AFED C=CCOc1ccc(C#N)c(Cl)c1 61855464 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20 AFED C#CCC[C@H](C)OC(=O)CCC(C)C 839034754 SGMLCGDSIHHQIP-NSHDSACASA-N 196.290 2.768 30 20 AFED C#CCC[C@H](C)OC(=O)/C(=C\C)CC 839038692 KXJVZIPTIDIZAL-OYUORYAFSA-N 194.274 2.688 30 20 AFED CON=C(C)CCc1cccc(F)c1 920372193 WPMAHFIXXMSPQS-UHFFFAOYSA-N 195.237 2.781 30 20 AFED C[C@H](NCCCC#N)c1cccs1 35141863 OWDUTYQIFLDTJI-VIFPVBQESA-N 194.303 2.702 30 20 AFED C[C@@H](S)Cc1ccc(F)cc1 140417297 QYNPDPVHOCDCHB-SSDOTTSWSA-N 170.252 2.687 30 20 AFED C=CCSCCNC(CC)CC 221947283 HVFAHSSUVXCHLS-UHFFFAOYSA-N 187.352 2.684 30 20 AFED C=C[C@H](C)NC(=O)C(C)(CC)CC 308252434 BYZKNLYNJCQHMJ-VIFPVBQESA-N 183.295 2.503 30 20 AFED C=CCC(C)(C)CN[C@@H](C)C1CC1 310575311 PNDOFSYSRFRMMJ-JTQLQIEISA-N 181.323 2.977 30 20 AFED C=CC[C@H](CC)N[C@H]1CC[C@@H](C#N)C1 379663736 TUZBKABQFABZKM-WOPDTQHZSA-N 192.306 2.623 30 20 AFED C=CCSc1ncc(C(C)C)[nH]1 629226971 LCKXGBZOBPDQMH-UHFFFAOYSA-N 182.292 2.811 30 20 AFED C=CC(C)(C)C(=O)N[C@@H](C)CC(C)C 649217781 AHUCRAXMYHXJDF-JTQLQIEISA-N 197.322 2.749 30 20 AFED 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QISLRWRTJXFEFQ-UWVGGRQHSA-N 194.322 2.941 30 20 AFED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C 933813825 KJNDFGGJEPIWSF-QWRGUYRKSA-N 195.306 2.600 30 20 AFED C[C@H]1C[C@@H](NCCC#N)CC(C)(C)C1 20199948 FEIUTGMKYCZVLK-WDEREUQCSA-N 194.322 2.704 30 20 AFED C=CCC[C@H](O)c1cccc(F)c1 70593635 HSRKWRGLIHIUTB-NSHDSACASA-N 180.222 2.825 30 20 AFED C#CCN[C@H]1CCCC(C)(C)CC1 83434993 UCSHPLANAPCCNT-NSHDSACASA-N 179.307 2.568 30 20 AFED COc1cccc(F)c1[C@@H](C)S 126928961 UNGCTGJJFFBZQR-ZCFIWIBFSA-N 186.251 2.825 30 20 AFED C=CCOc1ccc(F)c(C)c1 129327028 VDNYVVCHFIOEHZ-UHFFFAOYSA-N 166.195 2.699 30 20 AFED C=C(C)CNCc1cc(C)ccc1F 220937991 WJLYTCYTLSEYEC-UHFFFAOYSA-N 193.265 2.800 30 20 AFED C=CCN1CCC(C)(C(C)C)CC1 306532873 JPSFDBJQHGOWMD-UHFFFAOYSA-N 181.323 2.931 30 20 AFED C=C(CC)CSC[C@@H]1CCOC1 307948725 MCNGXUFNYQRDLJ-SNVBAGLBSA-N 186.320 2.722 30 20 AFED C=C(C)CCN[C@]1(CCC)CCOC1 388981289 PEYLGFXEFQCQQY-GFCCVEGCSA-N 197.322 2.501 30 20 AFED C=CCCC[C@H](C)NC(=O)C1(C)CC1 678881770 RHQRZVLNHUXOBU-JTQLQIEISA-N 195.306 2.648 30 20 AFED C#CCCCOC(=O)C1CCCCC1 727040695 NYLCVLUUDPTKDK-UHFFFAOYSA-N 194.274 2.523 30 20 AFED CON=C(CC1CC1)c1ccccc1 735972299 WANIXOMBDSBBEI-UHFFFAOYSA-N 189.258 2.837 30 20 AFED CCCON=C1CCC[C@H]1CC 842556638 LCOJYZZTQGWCLA-SECBINFHSA-N 169.268 2.979 30 20 AFED C=CC1(OC(=O)CCC(C)C)CC1 893365757 QUISVPSSUIYBBP-UHFFFAOYSA-N 182.263 2.684 30 20 AFED C=C[C@H](C)N[C@H]1CCCC[C@H]1C 157264254 VHALMHLSYXWCKC-VWYCJHECSA-N 167.296 2.729 30 20 AFED CCN[C@@H](CC)c1cccc(C#N)c1 159737801 QFUHIYJIXNQPAS-LBPRGKRZSA-N 188.274 2.619 30 20 AFED C#C[C@H](CC)NC[C@H]1CCCC[C@@H]1C 229522433 FVPZWJXUBLSKQY-YNEHKIRRSA-N 193.334 2.814 30 20 AFED C#C[C@@H](N[C@@H](C)CC1CCC1)C(C)C 300919843 MSSYZPXOMFXIEB-WCQYABFASA-N 193.334 2.813 30 20 AFED C#Cc1cccc(NC[C@@H]2C[C@H]2C)c1 306238420 JAQFRRRPPOCSJV-PWSUYJOCSA-N 185.270 2.736 30 20 AFED C#CCN1CCC[C@H](C)[C@H]1CCC 306511987 ONAZASFZTRWJCV-NWDGAFQWSA-N 179.307 2.520 30 20 AFED C=CCCN1CCc2ccccc21 307329042 WOJLTAVFGXIDMK-UHFFFAOYSA-N 173.259 2.625 30 20 AFED C=CCCCCOC(=O)/C(C)=C/C 308304908 NWLQYQAKWKNHPC-BJMVGYQFSA-N 182.263 2.852 30 20 AFED C=C(C)CCN[C@@H](C)c1cncs1 386856752 IWOSMYVSXMGKII-VIFPVBQESA-N 196.319 2.760 30 20 AFED CCC(=NOC)c1cccs1 388158191 SDQNYQUDBOCNRP-UHFFFAOYSA-N 169.249 2.509 30 20 AFED C=CCCCC[C@@H](C)NC[C@H](C)C#N 590648843 GMJHETUPOZPOBD-VXGBXAGGSA-N 194.322 2.871 30 20 AFED C=CCCN(CCOC)C(CC)CC 606897987 UGZWGMQKFLZTOD-UHFFFAOYSA-N 199.338 2.700 30 20 AFED COC1(C=NOC2CCC2)CCCC1 812237362 WIGHWVODNOWIPM-UHFFFAOYSA-N 197.278 2.501 30 20 AFED CCCNN=C(CC)[C@H]1CC1(C)C 841620502 WZJRZIFXDMKPCR-SECBINFHSA-N 182.311 2.798 30 20 AFED C[C@@H]1CCCC[C@@H]1C=NN1CCC1 872397064 LEIDMSNXFGFDAA-GHMZBOCLSA-N 180.295 2.504 30 20 AFED C=CC[C@@H](CC)N[C@@H](C)c1ncco1 926349501 AFOJMCHNBQVJNN-VHSXEESVSA-N 194.278 2.680 30 20 AFED CCCC[C@H](C)NCC(C)(C)C#N 126418183 PATHERNNBJVDNF-JTQLQIEISA-N 182.311 2.704 30 20 AFED C=CC[C@H](C)N[C@H](C)c1ccncc1 128033553 YKSAPYYUMDQYCK-WDEREUQCSA-N 190.290 2.697 30 20 AFED C#CCCCCN[C@H]1CCCC1(C)C 130757178 PNOZWPCDDHWBFP-LBPRGKRZSA-N 193.334 2.958 30 20 AFED C=CCCNc1cc(F)cc(OC)c1 300755553 AHUNPJRZDIMUAE-UHFFFAOYSA-N 195.237 2.822 30 20 AFED C=CCCC(=O)O[C@H](C)C1CCC1 308253489 IZHHHZGFTODDPK-SECBINFHSA-N 182.263 2.684 30 20 AFED C=C[C@H]1CCCCN1CCCCF 388278522 KBPAYBVQVYBPLI-NSHDSACASA-N 185.286 2.777 30 20 AFED C=C(C)COC(=O)C[C@H](C)C1CC1 388637073 NCHRZNSKXKYJMM-VIFPVBQESA-N 182.263 2.542 30 20 AFED C=C(C)CSCc1cc(C)n(C)n1 388830531 WCQSLECTVJTXSB-UHFFFAOYSA-N 196.319 2.538 30 20 AFED Cc1cccnc1SCCCC#N 393551387 ZVCCGTFQAGLNDH-UHFFFAOYSA-N 192.287 2.786 30 20 AFED C=CC[C@H](C)NC(=O)C1(CC)CCC1 674360048 HCERSURSKCKUOY-JTQLQIEISA-N 195.306 2.648 30 20 AFED C#CCCN1CC[C@@H](C)C2(CCC2)C1 771465892 XYRIWIUTQURPLM-GFCCVEGCSA-N 191.318 2.522 30 20 AFED FCCC[C@@H]1CCCC1=NN1CCC1 872397807 UPHWXKWHXRVEBT-JTQLQIEISA-N 198.285 2.598 30 20 AFED C[C@@H]1CC[C@]2(O[C@@H]2C#N)c2ccccc21 306466166 KOHWVNZIFODGRG-WQAKAFBOSA-N 199.253 2.702 30 20 AFED CC#CCN[C@]1(C)CCCC[C@H]1C 306674710 QVLYBHWVICTFCV-VXGBXAGGSA-N 179.307 2.568 30 20 AFED CC#CCN(C)[C@@H]1CCCC[C@@H]1C 307412398 REWXEJZKQAGUBE-NWDGAFQWSA-N 179.307 2.520 30 20 AFED C#C[C@H](C)NC[C@@H]1CCC[C@@H](CC)C1 308627943 XNTCWMNGSUIKDF-YNEHKIRRSA-N 193.334 2.814 30 20 AFED C[C@H]1CCC[C@H](C=NNC2CC2)C1 379367899 NCMWVKSNXFCFBT-UWVGGRQHSA-N 180.295 2.551 30 20 AFED C=CCCCCCCCNC(C)=O 388607847 WOACBPAVPVPADF-UHFFFAOYSA-N 183.295 2.649 30 20 AFED CC[C@H](NC[C@@H](C)C#N)[C@@H]1CC1(C)C 397639021 XEIVXJUPGFSDBI-DCAQKATOSA-N 194.322 2.560 30 20 AFED C[C@H](CCC#N)S[C@@H]1CCCOC1 591128859 SLQFSQJRCGGFDP-NXEZZACHSA-N 199.319 2.591 30 20 AFED C=CCCN(C)C[C@@H]1C[C@H]2C=C[C@H]1C2 682436675 TYSKTZUDHHUPCS-AVGNSLFASA-N 191.318 2.707 30 20 AFED C=CCCCC(=O)NCCCC(C)C 748297249 CZPWFPJFSACBES-UHFFFAOYSA-N 197.322 2.895 30 20 AFED C=C(C)CN(C)C(=O)/C=C(\C)CCC 778123149 QVKDOJANBUUAIS-DHZHZOJOSA-N 195.306 2.767 30 20 AFED C=CC[C@@H](CC)NC(=O)/C(=C/C)CC 798552972 CKQNMUJVGYHDJB-CDCCAWJDSA-N 195.306 2.814 30 20 AFED C=C(CC)C(=O)NCC1(CC)CCC1 1263765169 FJLGKMUJTUJQKD-UHFFFAOYSA-N 195.306 2.649 30 20 AFED C(=N/N1CCCCC1)\c1ccccc1 39207473 COLZWDOHMYOHCW-ACCUITESSA-N 188.274 2.506 30 20 AFED C[C@H](C#N)CN[C@@H](C)C1CCCCC1 52337441 LBMFCRRLQYDBET-MNOVXSKESA-N 194.322 2.704 30 20 AFED C=C(CC)CNCc1cccc(F)c1 85057282 SFXFZCRXKGJXFC-UHFFFAOYSA-N 193.265 2.882 30 20 AFED CC[C@@]1(c2cccc(C)c2)O[C@H]1C#N 306327187 JSZNBTNIFLOAHF-RYUDHWBXSA-N 187.242 2.523 30 20 AFED C=CCCCOC(=O)/C(C)=C\CC 308358225 LHYVDNYULGTWMA-NTMALXAHSA-N 182.263 2.852 30 20 AFED CCCCC(C)=NNCC(F)(F)F 308396674 DQCQHEWFTPKXTK-UHFFFAOYSA-N 196.216 2.704 30 20 AFED C=CCCCCS[C@@H](C)CCO 590726858 KBWRUDXYDRJDGF-JTQLQIEISA-N 188.336 2.847 30 20 AFED C=CCCCCSCCC#N 591132998 WNGXMSLMNACPCU-UHFFFAOYSA-N 169.293 2.990 30 20 AFED C=CCNN=C[C@H]1CCC[C@H](CC)C1 795004152 VJSOIINWMWCZQG-RYUDHWBXSA-N 194.322 2.964 30 20 AFED COCCCON=C1CCCC1(C)C 795053528 QGQLAZRCINCBJQ-UHFFFAOYSA-N 199.294 2.606 30 20 AFED C1=C[C@H]2C[C@H]1C[C@H]2C=NOC1CCC1 812238359 TXAVZXHTURSTCN-DCAQKATOSA-N 191.274 2.754 30 20 AFED F[C@@H]1CCCC1=NOCC1CCC1 872390609 IKAGNUQNUVSJJX-SECBINFHSA-N 185.242 2.681 30 20 AFED C=C(C)c1cn(C)nc1C(C)C 904794991 KTNIYUMCUHPXLZ-UHFFFAOYSA-N 164.252 2.577 30 20 AFED C=C(C)CCC(=O)N(CC)[C@@H](C)CC 1339066236 UYOWEOXMFGGIQB-NSHDSACASA-N 197.322 2.990 30 20 AFED C=CCN[C@@H](C)c1ccc(F)cc1F 19875935 LIOUYXMVGBWMOJ-QMMMGPOBSA-N 197.228 2.801 30 20 AFED CCCON=C1CCCCC1 139551543 YQPVMFUQXHWGPZ-UHFFFAOYSA-N 155.241 2.733 30 20 AFED C#C[C@H](CC)N[C@H]1CCC[C@H](CC)C1 252966831 XSXYQXXOTNDLGC-XQQFMLRXSA-N 193.334 2.957 30 20 AFED Cc1cc(CC2(C=O)CCC2)cs1 307360111 FMVBTXVIMBKQPZ-UHFFFAOYSA-N 194.299 2.968 30 20 AFED C=CC[C@H](C)N[C@H](CC)[C@H]1C[C@H]1C 322216689 VYJHCFCFOKEZPQ-NOOOWODRSA-N 181.323 2.975 30 20 AFED CSCCC=NOC(C)(C)C 388120618 KLSQPCSEUARMMQ-UHFFFAOYSA-N 175.297 2.540 30 20 AFED C=CC[C@H](CC)NCc1cncs1 388257980 AHSVPJSEOHKAIQ-VIFPVBQESA-N 196.319 2.587 30 20 AFED C=CCN(C)Cc1csc(C)c1 648529120 PJDOFYIXDRRYCP-UHFFFAOYSA-N 181.304 2.674 30 20 AFED CC[C@H](C)CON=Cc1cnsc1 872377540 WGBUYFBSQRQLEN-QMMMGPOBSA-N 198.291 2.540 30 20 AFED C=CC[S@](=O)c1ccc(C)c(C)c1 905163258 PKXWBTWOLBPFEL-ZDUSSCGKSA-N 194.299 2.597 30 20 AFED CCN(CCC(C)C)C[C@@H](C)C#N 42323732 NOYMCVZFHKBOJS-NSHDSACASA-N 182.311 2.514 30 20 AFED COc1cccc(F)c1[C@H](C)S 126928714 UNGCTGJJFFBZQR-LURJTMIESA-N 186.251 2.825 30 20 AFED C=CCN1CCCC2(CCCC2)C1 307210327 QTMQXINDIPZXRQ-UHFFFAOYSA-N 179.307 2.829 30 20 AFED CCN(CC)CC(C)(C)CCC#N 308211068 GLXKTQJPAWAELH-UHFFFAOYSA-N 182.311 2.658 30 20 AFED C=C(C)CNC(=O)[C@@H]1CCCC[C@@H]1C 335163493 HPKJNCVVADKOQC-WDEREUQCSA-N 195.306 2.505 30 20 AFED Cc1ncsc1C=NOC(C)(C)C 379373128 KSGWBISYIJEDBG-UHFFFAOYSA-N 198.291 2.601 30 20 AFED C[C@@H](CCC#N)N1CCC(C)(C)CC1 591012561 QLIXRVHYYZCENP-NSHDSACASA-N 194.322 2.801 30 20 AFED CC[C@@H]1CCCN([C@H](C)CCC#N)C1 616015702 IJYQONVFEWZSON-VXGBXAGGSA-N 194.322 2.801 30 20 AFED C=CCCNC(=O)[C@H]1CCC(C)(C)C1 617617456 HFPWBUYAOASTOB-JTQLQIEISA-N 195.306 2.505 30 20 AFED C=CCC(C)(C)C(=O)N[C@@H](C)CCC 644787143 MACHATAFLGZUKE-JTQLQIEISA-N 197.322 2.894 30 20 AFED C=CCN(C)Cc1cc(F)ccc1F 681696670 KJQYTHBCGWRTAV-UHFFFAOYSA-N 197.228 2.583 30 20 AFED C=C(C)COC(=O)C(F)=C1CCCC1 761970502 UGJHMYNHWNAYPM-UHFFFAOYSA-N 198.237 2.903 30 20 AFED C=CCOCCSCC1CC=CC1 853774195 IUXYOXNLDNAEPD-UHFFFAOYSA-N 198.331 2.888 30 20 AFED C[C@H]1CCCC(=NN2CCC2)[C@H]1C 872396415 ALMOSJLWYZPIRV-UWVGGRQHSA-N 180.295 2.504 30 20 AFED C=CC[C@H](C)[C@H](C)NC/C=C\Cl 898434758 YEFZVSOGIUAWRS-XTKVZWQSSA-N 187.714 2.929 30 20 AFED C=CCCN(C)c1cc(Cl)ccn1 1120839960 XIKDDPXXRIQLBK-UHFFFAOYSA-N 196.681 2.747 30 20 AFED C=C(CC)C(=O)N[C@@H](C)CC(C)(C)C 1123899207 WHAAJFQPZRNGEV-JTQLQIEISA-N 197.322 2.894 30 20 AFED C=C(CC)C(=O)NCC[C@H](C)CC 1123923827 GQQRGKKRSUPMHW-SECBINFHSA-N 183.295 2.505 30 20 AFED C=CC(C)(C)c1nnc(C2CCC2)o1 1327056211 ZZAXZEXJRJKPAG-UHFFFAOYSA-N 192.262 2.801 30 20 AFED c1ccc2c([C@H]3CO3)cccc2c1 22176008 VEKOQDMCBFGHBI-GFCCVEGCSA-N 170.211 2.911 30 20 AFED CC[C@@H]1CCC[C@H](NC[C@@H](C)C#N)C1 70562941 WZYJHXJRXRJZCM-TUAOUCFPSA-N 194.322 2.704 30 20 AFED C[C@H](CC1CCC1)NCC(C)(C)C#N 126415204 NHCSFXTYSXXTGF-SNVBAGLBSA-N 194.322 2.704 30 20 AFED C#CCCCN[C@H]1CCC[C@H]1CC 224313559 VEXAIMHOJCIHNO-NEPJUHHUSA-N 179.307 2.568 30 20 AFED C=CCCCCNC[C@](C)(CC)OC 319483352 SVDYHHPKEKUUTA-LBPRGKRZSA-N 199.338 2.747 30 20 AFED C=C[C@@](C)(CC)C(=O)OCCC 379311935 SPOXQWQFZUPFNX-JTQLQIEISA-N 170.252 2.542 30 20 AFED C=CCCCCCONC(=N)CC 393724127 RPKHDFDUTVNPHR-UHFFFAOYSA-N 184.283 2.641 30 20 AFED CC[C@H](C)CC=NO[C@H]1CCCCO1 834966636 MFYUBXAGLNWCBZ-QWRGUYRKSA-N 199.294 2.952 30 20 AFED CC(C)ON=C/C=C\c1ccco1 835004673 VFCICJQWHFWJCR-LTHNSYCASA-N 179.219 2.704 30 20 AFED C=C(C)COC(=O)c1occ(C)c1C 1325971058 VDJCNUSCXHYJBW-UHFFFAOYSA-N 194.230 2.629 30 20 AFED CCC(CC)Nc1ncccc1C#N 19515024 QFFSSJPSIJBMDB-UHFFFAOYSA-N 189.262 2.554 30 20 AFED Cc1cc(C)c([C@]2(C)CO2)c(C)c1 36156292 BCXVOOHGNIWNMR-LBPRGKRZSA-N 176.259 2.857 30 20 AFED CCCOc1ccc(C#N)cc1C 36193931 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844626490 WKCARXILSYUGTD-DTWKUNHWSA-N 167.252 2.754 30 20 AFED C1CC(CON=C2CCC[C@H]3C[C@@H]23)C1 853441239 RDOOUAHDIHIMPK-WDEREUQCSA-N 193.290 2.979 30 20 AFED CC[C@H](CC#N)NCCCC(C)C 38093803 LAFBGTLUFIKAKF-LLVKDONJSA-N 182.311 2.704 30 20 AFED C#CCCOc1cccc(Cl)c1 82494130 MZQJUJZIEJLGCH-UHFFFAOYSA-N 180.634 2.742 30 20 AFED C=CCCOC(=O)[C@H](C)CCCC 144077775 QQSZMHCCLSSUQU-SNVBAGLBSA-N 184.279 2.932 30 20 AFED C[C@@H]1CCCC[C@H]1CS 202110279 FMCFDMLOEPYOAD-SFYZADRCSA-N 144.283 2.743 30 20 AFED C#C[C@H](CC)N[C@H](CC)CCCC 229887818 RUNMCWVEKOLHSE-VXGBXAGGSA-N 181.323 2.957 30 20 AFED CC(=O)CSCCCC(C)(C)C#N 308163795 WNRFTEDIEGECRQ-UHFFFAOYSA-N 199.319 2.639 30 20 AFED C=CCC[C@@H](C)NCCC(C)(F)F 379301629 PRGWQUHORHUONT-SECBINFHSA-N 191.265 2.976 30 20 AFED C=CCSCc1cc(C)ccn1 379339084 WNJRBAKOGGJTLU-UHFFFAOYSA-N 179.288 2.809 30 20 AFED C#CCCCSc1ccncc1C 382167719 VKFQIJBSGILLCI-UHFFFAOYSA-N 191.299 2.896 30 20 AFED CCCCNN=C[C@H]1CC=CCC1 388745842 YXTICHAZJGRPPU-NSHDSACASA-N 180.295 2.718 30 20 AFED CC[C@@H](C)CCNC[C@@H](C)CCC#N 602709209 HOQWOLAXNGJXQR-NEPJUHHUSA-N 196.338 2.952 30 20 AFED C=C(C)CCNC(=O)C[C@H](C)CC 650928218 WJYSRAYJOVONLA-SNVBAGLBSA-N 183.295 2.505 30 20 AFED C=CCCc1noc(/C=C/C=C/C)n1 651355607 JEXOIAGLOQGVLE-WJDMQLPWSA-N 190.246 2.778 30 20 AFED C[C@H](CC(C)(C)C#N)NC1CC=CC1 695873110 QVSOQOFTWWLZFT-SNVBAGLBSA-N 192.306 2.623 30 20 AFED CCCCCCCN1CC[C@@H](OC)C1 752089594 WMLPZEAAUWEONE-GFCCVEGCSA-N 199.338 2.678 30 20 AFED C=CCON=Cc1ccc(CC)s1 835016373 UUDFWTSFJPCCGT-UHFFFAOYSA-N 195.287 2.847 30 20 AFED CC/C(C)=C\C(=O)O[C@H](CC)CC#N 835341818 WUCFNFTUVASZFI-HSTULFTRSA-N 195.262 2.578 30 20 AFED C=CCCCCN[C@H](C)c1ncco1 886539056 SDVUXFJNBTWDNO-SNVBAGLBSA-N 194.278 2.682 30 20 AFED C=C(CC)C(=O)N[C@@H]1CCCC1(C)C 1346394444 NUECUWJLSBDAQW-SNVBAGLBSA-N 195.306 2.648 30 20 AFED CCC1CCC(N(C)CCC#N)CC1 42515822 WEJDIBZXSSEBCB-UHFFFAOYSA-N 194.322 2.801 30 20 AFED CCCCCCN(CC)CCC#N 44413424 PXMQADUIBBUQDG-UHFFFAOYSA-N 182.311 2.802 30 20 AFED CC#CCNc1ccccc1CC 51663016 QQWSFFOXYZFVPG-UHFFFAOYSA-N 173.259 2.684 30 20 AFED CCN(CC#N)[C@H](C)c1ccccc1 70191416 XSJIHDXMZPVJNI-LLVKDONJSA-N 188.274 2.593 30 20 AFED C=CCCC(=O)Nc1cccc(F)c1 214636039 PFLHAZVORLGCFI-UHFFFAOYSA-N 193.221 2.730 30 20 AFED CC(C)CCCSCC#N 307307510 YYSHERXUPCILFX-UHFFFAOYSA-N 157.282 2.679 30 20 AFED CCCON=Cc1cccs1 307895788 IJJUDDXBPADJPV-UHFFFAOYSA-N 169.249 2.509 30 20 AFED CCCCNN=C(CC)CCC 307999541 YLPIFJMYJOEEIE-UHFFFAOYSA-N 170.300 2.942 30 20 AFED C#CCON=C(C)CCCC(C)C 308161613 VIFPRPXTFYDAHV-UHFFFAOYSA-N 181.279 2.838 30 20 AFED C=CC[C@@H](C)[C@H](C)NC1CC=CC1 308253568 JCSDOIHGHYYFQH-MNOVXSKESA-N 179.307 2.895 30 20 AFED C#Cc1ccc(CNCC2(C)CC2)cc1 309145348 VADRFKJEOVBCBJ-UHFFFAOYSA-N 199.297 2.558 30 20 AFED C=CCOCCSCc1ccco1 378875312 YTUIDQKVTONMEV-UHFFFAOYSA-N 198.287 2.715 30 20 AFED CCCNN=C(CC)c1cccs1 393718307 UORSUDTXXODHRX-UHFFFAOYSA-N 196.319 2.862 30 20 AFED C[C@H]1CC(C)(C)CN1[C@H](C)CCC#N 591052242 WLKYOXRNAORXSJ-MNOVXSKESA-N 194.322 2.799 30 20 AFED C=C(C)CN(CC)C[C@](C)(CC)OC 637837824 LTHVCTWTYJUDOG-LBPRGKRZSA-N 199.338 2.700 30 20 AFED C=CCCCCN[C@]1(CC)CCOC1 649482995 ZQEOWYNEJCNDQJ-GFCCVEGCSA-N 197.322 2.501 30 20 AFED C=C(Cl)CNC1(C2CCC2)CC1 697431721 SKHPKEMRJXUVAO-UHFFFAOYSA-N 185.698 2.661 30 20 AFED CCCCCCCCN1CC=CCN1 707883549 DWBWHYPOWHHHTC-UHFFFAOYSA-N 196.338 2.723 30 20 AFED CON=Cc1cccc2ccccc12 767464135 MIBZFPKFMJJYII-UHFFFAOYSA-N 185.226 2.820 30 20 AFED C#CCCNc1ccccc1Cl 70159570 KYNYPXWOIUVDNO-UHFFFAOYSA-N 179.650 2.775 30 20 AFED C=C(Cl)CN[C@H]1CCCC1(C)C 86874890 DJVYCVGSLABNLO-VIFPVBQESA-N 187.714 2.907 30 20 AFED CC1(C)CCC[C@@H](NCCCC#N)C1 149934722 YOEFCMBMQDXRIM-LLVKDONJSA-N 194.322 2.849 30 20 AFED C=CCCN[C@@H]1CCC[C@H]1SCC 233840209 HTVGTWTVSOVREK-GHMZBOCLSA-N 199.363 2.826 30 20 AFED C=CCCN1CC[C@@](C)(CC)C1 307961647 XLAIFIKWMVLIBG-LLVKDONJSA-N 167.296 2.685 30 20 AFED C=C(C)CN(CC)Cc1cncs1 308237430 RGXVUIOIUHSINF-UHFFFAOYSA-N 196.319 2.541 30 20 AFED C=CC[C@@H](CC)N[C@H](C)CCCOC 308721496 DHVCQFFJTXZOGR-VXGBXAGGSA-N 199.338 2.746 30 20 AFED CC[C@H](NCC#N)c1ccc(C)cc1 308737418 MIFYWBMGAMXALG-LBPRGKRZSA-N 188.274 2.559 30 20 AFED C=CC[C@@H](CC)NCc1cccnc1 379612323 VMANUQALRHJNKF-GFCCVEGCSA-N 190.290 2.526 30 20 AFED CON=CCSCc1ccccc1 388642071 OZAGAFZNDWEGLF-UHFFFAOYSA-N 195.287 2.552 30 20 AFED C=CC[C@@H](CC)Nc1ccnc(C)n1 389372572 YRWAUUHKNWDZRK-SNVBAGLBSA-N 191.278 2.552 30 20 AFED C#C[C@@H](C)NC/C(C)=C\c1ccccc1 389969979 ZLDDECCSGBNKEV-KXXVWKPMSA-N 199.297 2.701 30 20 AFED C=CC[C@H](C)NCc1cc(C)ns1 404476339 RPSATYYKBWZXIK-QMMMGPOBSA-N 196.319 2.506 30 20 AFED C[C@H](CN1CC(C)(C#N)C1)C(C)(C)C 590967823 RJCQUEAHEUCRFX-SNVBAGLBSA-N 194.322 2.514 30 20 AFED C=C(C)CN(C)C[C@H]1CC=CCC1 679358742 KBNVPUXJETXNTH-LBPRGKRZSA-N 179.307 2.851 30 20 AFED C#CCCCSCc1ccncc1 901630882 PPXJRSMOSKIBCR-UHFFFAOYSA-N 191.299 2.728 30 20 AFED C=C(CC)C(=O)Nc1ccsc1C 1348918864 MRRQBUDHDXURNC-UHFFFAOYSA-N 195.287 2.961 30 20 AFED C=C(Cl)COc1ccccc1C#N 19424259 WFRILLOKQZKOLW-UHFFFAOYSA-N 193.633 2.690 30 20 AFED C=CCCOc1cccc(OC)c1 34499896 UUEMMFPEBYSRFO-UHFFFAOYSA-N 178.231 2.650 30 20 AFED C=C[C@@H](N)c1cc(Cl)ccc1F 83965537 QAXAGYQUKUJKGJ-SECBINFHSA-N 185.629 2.665 30 20 AFED C=CCC[C@H](C)NCCOCCCC 126804458 GYRJHHVJWGXRIF-LBPRGKRZSA-N 199.338 2.747 30 20 AFED CC1=CCN(CCC(C)(C)C#N)CC1 336553563 KAMZOUSJRFTUQG-UHFFFAOYSA-N 192.306 2.578 30 20 AFED CC[C@H](C)C=NNc1ccccn1 379354770 JLMISERKXAWQCO-VIFPVBQESA-N 177.251 2.525 30 20 AFED C=CCCNCc1ccc(SC)o1 641772455 NRKGKYUHVHJZRG-UHFFFAOYSA-N 197.303 2.667 30 20 AFED C=C[C@](C)(CC)C(=O)N[C@H]1CC1(C)C 665643181 ZELPFAWYGCRNMI-JOYOIKCWSA-N 195.306 2.503 30 20 AFED C=C[C@H](C)NC(=O)[C@H](CCC)C(C)C 677874190 KXYRDIFCYAOOOR-WDEREUQCSA-N 197.322 2.749 30 20 AFED CC(=NNc1ccc(F)cn1)C(C)C 731321819 PWKITDPCKCOMCW-UHFFFAOYSA-N 195.241 2.665 30 20 AFED C#CCC(C)(C)C(=O)OC1CCCC1 767050054 YGNRQIRAQVERNC-UHFFFAOYSA-N 194.274 2.522 30 20 AFED C[C@H]1CCCCCC1=NNC1CC1 844593207 LYLWTJIABORYPR-VIFPVBQESA-N 180.295 2.695 30 20 AFED C=C(C)CON=C(C)C(C)C 844615217 OSLGLAZRVHMFFL-UHFFFAOYSA-N 155.241 2.611 30 20 AFED C=C[C@@H](C)ON=C1CCC[C@H](C#N)C1 844620472 LMOLMSILJIPTKD-ZJUUUORDSA-N 192.262 2.647 30 20 AFED C=C(CC)C(=O)N(CCC)CC(C)C 1263707104 YOZQMUOYHHRNQH-UHFFFAOYSA-N 197.322 2.847 30 20 AFED C#CCNc1cccc(C(F)(F)F)c1 38951066 ASEBFCKISRMEDN-UHFFFAOYSA-N 199.175 2.751 30 20 AFED C=C[C@H](O)c1ccc(C)cc1C 83813541 GFWJVQHEIUSXMV-NSHDSACASA-N 162.232 2.523 30 20 AFED C=CCN(C)c1ccc(C(C)=O)cc1 131398971 LVGAMQGSUTYIGS-UHFFFAOYSA-N 189.258 2.511 30 20 AFED C#CCOC(=O)[C@@H](C)CCCCCC 220895882 RGOXFOIJIOWQCM-NSHDSACASA-N 196.290 2.769 30 20 AFED C=CCCN1CCCC(C)(C)C1 306568842 JUMFVAGSDRPRIZ-UHFFFAOYSA-N 167.296 2.685 30 20 AFED N#C[C@H]1O[C@@]12CCCCc1ccccc12 306643823 XVCYQUSGXTXWGP-CHWSQXEVSA-N 199.253 2.531 30 20 AFED CC(C)(C)[C@H]1CCCC[C@@H]1NCC#N 307754242 YOTGFGMWWWAGBH-QWRGUYRKSA-N 194.322 2.704 30 20 AFED CC(C)CN(CC#N)CC(C)(C)C 308252463 IJPFBGBDYQUSLF-UHFFFAOYSA-N 182.311 2.514 30 20 AFED C=CCNN=C1CCCC[C@H]1CC 381898909 BKFRYHBMFUUIGH-SNVBAGLBSA-N 180.295 2.718 30 20 AFED C=CCCC(=O)NC1CCCCCC1 588014829 KRFUMACWBPRFJM-UHFFFAOYSA-N 195.306 2.792 30 20 AFED C=CCCCN(CC)CCSC 592199675 IPPORLNZTROLHC-UHFFFAOYSA-N 187.352 2.638 30 20 AFED C[C@@H](C#N)N(CCC(C)(C)C)C1CC1 595710283 OZQULIHWNJRFNR-JTQLQIEISA-N 194.322 2.799 30 20 AFED N#CCCSC[C@H]1C[C@H]2C=C[C@@H]1C2 600557022 ONMQWUFBSMYNFD-HBNTYKKESA-N 193.315 2.845 30 20 AFED CC#CCCN1c2ccccc2C[C@@H]1C 680883037 SWJUIQFZYJELCQ-LBPRGKRZSA-N 199.297 2.851 30 20 AFED CCC(CC)NN=C(C)c1ccc[nH]1 734365377 XKTNVZFEUJVQPQ-UHFFFAOYSA-N 193.294 2.517 30 20 AFED C=CCN(CCSCC)C(C)C 741777761 RHNLQWRLSVOOSI-UHFFFAOYSA-N 187.352 2.636 30 20 AFED CCCCCCCN1CC(C)(C#N)C1 846891283 ZQUCHIUDVLURLY-UHFFFAOYSA-N 194.322 2.802 30 20 AFED N#Cc1cccc(OC2CCCC2)c1 19504533 PDIQAWQUTSXCMZ-UHFFFAOYSA-N 187.242 2.880 30 20 AFED C=C(Cl)CN[C@@H]1CCCC1(C)C 86874891 DJVYCVGSLABNLO-SECBINFHSA-N 187.714 2.907 30 20 AFED C#CCCCN[C@@H]1CCC[C@H](C)[C@H]1C 161242519 CPUONUGBJMBVMQ-YNEHKIRRSA-N 193.334 2.814 30 20 AFED C=C(C)CCN(CC)CC(=C)C 308008914 KCNIIWAFOMHJEE-UHFFFAOYSA-N 167.296 2.851 30 20 AFED CC#CCN(CC1CCC1)C(C)C 308274929 VBECDRQGEKADTN-UHFFFAOYSA-N 179.307 2.520 30 20 AFED CCOCSc1cccc(C#N)c1 308305115 NFYXYKJMNHNLTC-UHFFFAOYSA-N 193.271 2.644 30 20 AFED C=C(CC)CNCc1ccc(CC)o1 313493335 QWYYHIMNHLIXLW-UHFFFAOYSA-N 193.290 2.898 30 20 AFED C=CCCCCNC[C@@H]1C[C@@H]1C 379311813 RCDVWVOBDNHJGB-QWRGUYRKSA-N 167.296 2.588 30 20 AFED C=CCCCN1CCC[C@@H]1C1CC1 379400593 IZIQLUSIYHSUCY-GFCCVEGCSA-N 179.307 2.827 30 20 AFED C#C[C@@H](NCCC(C)C)C(C)(C)C 379418911 WZTBYQZCZTVNKQ-LLVKDONJSA-N 181.323 2.670 30 20 AFED C=CC(C)(C)CN[C@H]1CC[C@H](C)C1 384962749 NSHYCQJAKAXNJB-QWRGUYRKSA-N 181.323 2.977 30 20 AFED CC[C@H](C)CON=Cc1nccs1 393568030 RAKHRHXVWKTLQX-QMMMGPOBSA-N 198.291 2.540 30 20 AFED C=CCCCCS[C@@H](C)[C@@H](C)O 590726880 CLYCSPQUUHHQKT-ZJUUUORDSA-N 188.336 2.845 30 20 AFED C=CCCCN(C)CCC1CC1 608501704 MJMZRJYGSBLVNN-UHFFFAOYSA-N 167.296 2.685 30 20 AFED CC(C)(CCC#N)CN1CCCCC1 611287796 MAJPJUZBVNIYMN-UHFFFAOYSA-N 194.322 2.802 30 20 AFED C=CCCCCN1C[C@@H]2[C@@H](C1)C2(C)C 649323446 NBLUQYYDHQISGE-VXGBXAGGSA-N 193.334 2.931 30 20 AFED C=CCN[C@@H](C)[C@@H]1CCC[C@H](C)C1 650319915 RNDZZCSXJYCPAX-SDDRHHMPSA-N 181.323 2.977 30 20 AFED CO[C@H]1CCCC(=NOC2CCC2)C1 812236136 XERJGWDZGIDNHZ-NSHDSACASA-N 197.278 2.501 30 20 AFED CC(C)ON=C[C@@]1(C)CCCS1 835002532 PFKADGUNKZEURZ-SECBINFHSA-N 187.308 2.683 30 20 AFED CC[C@H](C)C=NOCC1CCC1 853440035 WUCLTUFXHMEITN-VIFPVBQESA-N 169.268 2.835 30 20 AFED C[C@H]1CCC[C@H](C=NN2CCC2)C1 872396866 JRJMTJOQRGHYLA-QWRGUYRKSA-N 180.295 2.504 30 20 AFED C=C[C@H](N)c1ccc(OC)c(Cl)c1 83983616 AEZHBUGGVGAZEA-VIFPVBQESA-N 197.665 2.534 30 20 AFED C[C@H]1CCC[C@H](C)C1NCCCC#N 132409537 OWGZFCDIWDJNAU-QWRGUYRKSA-N 194.322 2.704 30 20 AFED C[C@H](CNCCCC#N)C(C)(C)C 162902762 JAXCIQSAKBWLMP-SNVBAGLBSA-N 182.311 2.562 30 20 AFED C=CC[C@@H](C)[C@@H](C)NCc1ccco1 166306117 LIIJSPRHUJRIEC-GHMZBOCLSA-N 193.290 2.970 30 20 AFED 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182.311 2.802 30 20 AFED N#CCc1ccc(-c2ccccn2)cc1 83593301 RUZNIAXYNYUMMU-UHFFFAOYSA-N 194.237 2.815 30 20 AFED C[C@@H](C#N)CNCC1CCCCCC1 84329353 BUQKZCILGXYQIX-NSHDSACASA-N 194.322 2.706 30 20 AFED C=CC[C@@H](C)NCc1ccc(C)o1 124256030 XPHMGSGZVBLBNS-SECBINFHSA-N 179.263 2.642 30 20 AFED C#CCCNc1ccc(F)c(CC)c1 306174756 HTUXROBEILPARP-UHFFFAOYSA-N 191.249 2.823 30 20 AFED C=CCOCCNC1(CC)CCCC1 385460481 VSJVCSASEXGCHP-UHFFFAOYSA-N 197.322 2.501 30 20 AFED CC#CCCN(C)[C@@H](C)CCCC 388587379 JBKWXWDAHZSDSW-LBPRGKRZSA-N 181.323 2.910 30 20 AFED Cc1oncc1-c1ccccc1C#N 589962837 AIQYCTYOQHJYNX-UHFFFAOYSA-N 184.198 2.522 30 20 AFED CC(C)(C#N)CCSCCC#N 591132981 NINGZGKUYUJMSZ-UHFFFAOYSA-N 182.292 2.573 30 20 AFED C=CCC[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 591659782 GHMSLBDDMQZOPX-GRYCIOLGSA-N 192.306 2.623 30 20 AFED C[C@@H](CCC#N)CNCCCC1CC1 602557160 NDELEAJVBSVHAG-NSHDSACASA-N 194.322 2.706 30 20 AFED C=C(C)CN(C)CC1=CCCC1 645847938 UNSCLHOBDKXKOW-UHFFFAOYSA-N 165.280 2.605 30 20 AFED CCCON=CC1(OC)CCCCC1 842555493 XHTWQCWWVBKNMP-UHFFFAOYSA-N 199.294 2.748 30 20 AFED C=CCOCSc1nc(C)c(C)o1 865351305 ZXIOXXVRSUGFNO-UHFFFAOYSA-N 199.275 2.544 30 20 AFED CC1(C)CC(=NOC2CCC2)CCO1 872377152 XSXIOHNZTMZHNQ-UHFFFAOYSA-N 197.278 2.501 30 20 AFED C=C(Cl)COc1ccc(C=O)cc1 19476928 LXFZLAHCEHKEDH-UHFFFAOYSA-N 196.633 2.630 30 20 AFED CCC(CC)CN[C@H](CC)CC#N 54182000 OZODWTDRXDOQPI-LLVKDONJSA-N 182.311 2.704 30 20 AFED CS[C@@H](C#N)C1CCCCC1 96604994 YJIANPUNQKWRNH-VIFPVBQESA-N 169.293 2.822 30 20 AFED S[C@@H]1CCCc2occc21 169227156 SAHLKIMIASOXCG-MRVPVSSYSA-N 154.234 2.587 30 20 AFED C#CCCOc1cccc(C)c1F 227296957 WTNGSQUWCIDNSX-UHFFFAOYSA-N 178.206 2.536 30 20 AFED C=CCCCN[C@H](CC)[C@H]1C[C@@H]1C 322183146 NZWCJGOIQOIRNO-SDDRHHMPSA-N 181.323 2.977 30 20 AFED C=C(C)CN1CCC[C@H]1c1ccc[nH]1 336340978 NDWSIDBAVOSOTG-LBPRGKRZSA-N 190.290 2.728 30 20 AFED C=CCCOC(=O)C[C@@H](C)C1CC1 388658970 UVBXVFAUZWCTLZ-SECBINFHSA-N 182.263 2.542 30 20 AFED C[C@@H](CCC#N)N1CCC[C@@H](C)CC1 591011743 AORUAFNKUXFZBL-NEPJUHHUSA-N 194.322 2.801 30 20 AFED CCCCCNC[C@H](C)CCC#N 602502559 GZGCQQNYBQLNGR-LLVKDONJSA-N 182.311 2.706 30 20 AFED C1=CC[C@H](C=NNC2CCCC2)CC1 727652920 VYKYWWLPVUVSQD-NSHDSACASA-N 192.306 2.861 30 20 AFED C=C[C@H](CC)OC(=O)C(C)(C)C=C 835274234 NCHDVJZRHNWLOT-SECBINFHSA-N 182.263 2.706 30 20 AFED CCC[C@H](C)N(C)CCCCC#N 49579402 UDEGISVRIRPEBN-NSHDSACASA-N 182.311 2.801 30 20 AFED C[C@@H](C#N)CN[C@H](C)C1CCCCC1 52337449 LBMFCRRLQYDBET-WDEREUQCSA-N 194.322 2.704 30 20 AFED O=CC1(c2ccc(Cl)cc2)CC1 58519746 HEGXENQCLACJQG-UHFFFAOYSA-N 180.634 2.571 30 20 AFED in-vitro C#CCCOc1ccc(C)c(C)c1 82494122 ZCLBIRTUQPQYHA-UHFFFAOYSA-N 174.243 2.706 30 20 AFED C#CCCNc1cccc(Cl)c1F 82496848 AKWMFVNKNLWGJG-UHFFFAOYSA-N 197.640 2.914 30 20 AFED CC[C@H]1CCCN1CC1(CC#N)CC1 83862323 HTTSDBRVJWVIGP-NSHDSACASA-N 192.306 2.555 30 20 AFED CC[C@H](CC#N)N[C@@H]1CCCC1(C)C 86857340 ZWWNZLZBTAYRSE-GHMZBOCLSA-N 194.322 2.847 30 20 AFED C=C[C@H](C)Nc1ccc(C#N)cc1 122086145 YPOVIVOCMQJXQP-VIFPVBQESA-N 172.231 2.545 30 20 AFED C=CC[C@H](C)N[C@@H](C)c1cccnc1 124111667 KCRIZOWBIZWROI-QWRGUYRKSA-N 190.290 2.697 30 20 AFED C=CCCCC(=O)NCCCCC 141538621 SRFRUZPLRJIZPK-UHFFFAOYSA-N 183.295 2.649 30 20 AFED C=C(C)CNC(=O)CCCCCC 160409885 XVQWLQZAPSERPU-UHFFFAOYSA-N 183.295 2.649 30 20 AFED C#CCCCNc1nc(CC)cs1 229055560 UNMSBOVPMHVJIX-UHFFFAOYSA-N 194.303 2.531 30 20 AFED C#CCCOc1cccc2ncccc12 230310374 ZGEDFDWFTVDMTC-UHFFFAOYSA-N 197.237 2.637 30 20 AFED CC[C@@H](C)CSCCC#N 233824579 WPGLLHMPHIZRRA-MRVPVSSYSA-N 157.282 2.679 30 20 AFED C=CCC(F)(F)C(=O)O[C@@H](C)CC 378865979 AQHCRPGZQMRMFH-ZETCQYMHSA-N 192.205 2.540 30 20 AFED C=CCN1CCCC[C@H](SCC)C1 379412379 JZVIUFLGRWACAN-NSHDSACASA-N 199.363 2.780 30 20 AFED C=C(C)CCNC[C@@H]1C[C@H]2C=C[C@H]1C2 386929747 SWBZFNRKHNASRD-AVGNSLFASA-N 191.318 2.754 30 20 AFED C=CC[C@H](CC)N[C@H](C)C1CC1 388403493 QCLRRFRQICZFLT-KOLCDFICSA-N 167.296 2.729 30 20 AFED CCCCNN=C1CCC(C)(C)C1 388652710 SGBSSCYPAHHEEG-UHFFFAOYSA-N 182.311 2.942 30 20 AFED C=C[C@H](C)N[C@H](C)C1CCSCC1 393711808 OYOLZZBRHXLWCY-VHSXEESVSA-N 199.363 2.682 30 20 AFED CC[C@H]1CCCN1C[C@H](C)CCC#N 602448714 MYJKADYDDWTVMJ-NEPJUHHUSA-N 194.322 2.801 30 20 AFED C=C[C@@H](C)NC(=O)[C@@H](CC)CC(C)C 649116122 SQNRDGPFPJYHGH-MNOVXSKESA-N 197.322 2.749 30 20 AFED C=CCN(C)Cc1ccc(C)c(F)c1 681758314 OULGRAZWLYOJTP-UHFFFAOYSA-N 193.265 2.752 30 20 AFED C#CCOC(=O)[C@@H](CCC)CC(C)C 835078327 IRVJOHNMVDZZTA-NSHDSACASA-N 196.290 2.625 30 20 AFED C=CCOC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860188248 RYJLSXZAUWWJDE-NHCYSSNCSA-N 194.274 2.542 30 20 AFED C=C(C)CCC(=O)O[C@@H](C)CC 1263353486 ZNFINAKUGUHFAA-VIFPVBQESA-N 170.252 2.684 30 20 AFED C=C(C)CCOC(=O)CCC(=C)C 1344099437 YYUPYQJFROFPCY-UHFFFAOYSA-N 182.263 2.852 30 20 AFED CCCCOc1ccc(C#N)cc1F 36886936 XIBKNXJWFQGBDF-UHFFFAOYSA-N 193.221 2.876 30 20 AFED C#CCNc1cc(Cl)ccc1F 50521835 MSGFRLOFUCHPOE-UHFFFAOYSA-N 183.613 2.524 30 20 AFED CC#CCNc1cccc(C)c1C 51663045 LMZHWNBRLXAJLC-UHFFFAOYSA-N 173.259 2.739 30 20 AFED C=C(CC)CNC(CC)CC 85056879 REYDXVBUWLUSJL-UHFFFAOYSA-N 155.285 2.731 30 20 AFED CCC(CC)N(CC#N)CC(C)C 86453471 NHKHENXFTBQBCW-UHFFFAOYSA-N 182.311 2.657 30 20 AFED C=CCc1c(C)ccc(C(C)=O)c1O 98180288 BUFVUNHQAFJCKS-UHFFFAOYSA-N 190.242 2.632 30 20 AFED C=CCN1CCC(C(C)C)CC1 143283205 IHNCZGRCYIGMGA-UHFFFAOYSA-N 167.296 2.540 30 20 AFED C#C[C@@H](CC)NCC1CCCCCC1 229876071 RAETWBFTSRUMFD-ZDUSSCGKSA-N 193.334 2.958 30 20 AFED CSCC1CCC(S)CC1 307382746 HWAYOXHHQLCVJL-UHFFFAOYSA-N 176.350 2.838 30 20 AFED C=C(CC)CNc1ccc(F)cn1 307508111 UEIIFIAZGVTXIN-UHFFFAOYSA-N 180.226 2.599 30 20 AFED C[C@H](C#N)Oc1ccc(Cl)cc1F 307618795 UQRJDYLSXILHNS-ZCFIWIBFSA-N 199.612 2.770 30 20 AFED N#C[C@H]1CC[C@@H](Nc2ccccc2)C1 307747744 ZRKQGMISGMUIBK-CMPLNLGQSA-N 186.258 2.791 30 20 AFED C=CC[C@@H](CC)N[C@@H](C)CCCOC 308721494 DHVCQFFJTXZOGR-NWDGAFQWSA-N 199.338 2.746 30 20 AFED C=C(CC)CN[C@H](CC)[C@H]1C[C@H]1C 322231708 ZWLVSRXBAOWUGI-GRYCIOLGSA-N 181.323 2.977 30 20 AFED C=CCCNC(=O)CC[C@H](C)CC 617618275 JNKPXPYKJLMDSC-SNVBAGLBSA-N 183.295 2.505 30 20 AFED CC#CCN(C)[C@H]1C=CCCCCC1 645262169 JBRCPXGRBGOHNY-ZDUSSCGKSA-N 191.318 2.830 30 20 AFED C=C(C)CN(C)Cc1ccn(CC)c1 682778906 SMLXZJWBFOUNLP-UHFFFAOYSA-N 192.306 2.516 30 20 AFED CC[C@H]1C[C@H](C)CCC1=NNC1CC1 758128127 VTOZZSJNWMVKDO-ZJUUUORDSA-N 194.322 2.941 30 20 AFED CCCCC(CC)=NNC[C@H](C)C#N 771109169 YDHWVVKYCMVVRO-SNVBAGLBSA-N 195.310 2.692 30 20 AFED C#CCON=C1CCC[C@H](C(C)C)C1 812234261 VOIBMBHDDIWWIZ-NSHDSACASA-N 193.290 2.838 30 20 AFED C#CCON=C1CCC(CCC)CC1 812234850 YYUPNHLNALMZEE-UHFFFAOYSA-N 193.290 2.983 30 20 AFED C=CC(C)(C)C(=O)O[C@H]1C=CCCC1 837865313 ZBSHZJGSVGXDGY-JTQLQIEISA-N 194.274 2.851 30 20 AFED C=C(C)CON=C1CC[C@@H]1CC 844619898 MJYYQKLZNUZBJN-VIFPVBQESA-N 167.252 2.755 30 20 AFED C=C(C)COc1cc(C)ccc1C=O 871692363 MNGBHNJOUVLSOS-UHFFFAOYSA-N 190.242 2.762 30 20 AFED COCCON=C1CCCCCCC1 884443887 SKWREQVXXGZNPY-UHFFFAOYSA-N 199.294 2.750 30 20 AFED C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)CC 1340097206 QTTBDXGVVHLIFV-QWRGUYRKSA-N 197.322 2.894 30 20 AFED C=C(C)CNc1cccc(F)c1F 49947257 CEURXPLVPNVZDO-UHFFFAOYSA-N 183.201 2.953 30 20 AFED CC(=O)/C=C/c1cc(C)ccc1C 70586481 VUNZNMCBJQBBMT-VOTSOKGWSA-N 174.243 2.906 30 20 AFED C=CCCCCCN(C)C[C@@H](C)C#N 235462051 PGRHFYKAVPMVPN-LBPRGKRZSA-N 194.322 2.824 30 20 AFED C#C[C@H](N[C@H]1CCCC[C@@H]1C)C(C)C 300990752 VPQLHWPBKZCUEB-AVGNSLFASA-N 193.334 2.813 30 20 AFED C=C(C)CN1CCc2ccsc2C1 306441150 LBLIKAXGWNNSKC-UHFFFAOYSA-N 193.315 2.682 30 20 AFED CCCC(CCC)NCCCC#N 308214181 IEMGSULMJUAHMR-UHFFFAOYSA-N 182.311 2.849 30 20 AFED CC(C)CC=NNc1ccccn1 308256009 KPMBIKSKMXSRKS-UHFFFAOYSA-N 177.251 2.525 30 20 AFED C=CCN(C)CCCCC(F)(F)F 308272061 SQMDVNNTKPPOOI-UHFFFAOYSA-N 195.228 2.837 30 20 AFED C[C@H]1CC(C)(C)CC1=NNC1CC1 379402058 MDPLFSLURQPXPT-QMMMGPOBSA-N 180.295 2.551 30 20 AFED C=C[C@@](C)(CC)C(=O)OCC(C)C 379404184 RBCZOXIUWSLPTG-NSHDSACASA-N 184.279 2.788 30 20 AFED C#C[C@H](N[C@H](C)CCC1CC1)C(C)C 379578730 UWGMAQNWVQKBMW-YPMHNXCESA-N 193.334 2.813 30 20 AFED C[C@H]1CC[C@H](NCC(C)(C)CC#N)C1 590970574 LUPHYHRJYNWFLG-QWRGUYRKSA-N 194.322 2.704 30 20 AFED C=C(C)CN(C)CCCOC(C)(C)C 679219719 SVJFWCZFQCPIJD-UHFFFAOYSA-N 199.338 2.700 30 20 AFED C#CCCOC(=O)[C@](C)(CC)CCC 796335238 JRCLLIFMFUAKCC-GFCCVEGCSA-N 196.290 2.769 30 20 AFED CC(C)ON=Cc1ccc(Cl)o1 835002119 MKUOSCHYYGNDNI-UHFFFAOYSA-N 187.626 2.692 30 20 AFED C=C(C)CON=C1CCC[C@@H]2C[C@H]12 844620802 QAMYMYQCGRTXIT-ZJUUUORDSA-N 179.263 2.755 30 20 AFED C#CCCCNc1nc(C)c(C)s1 229055578 CNCDXOFZWQAAKJ-UHFFFAOYSA-N 194.303 2.585 30 20 AFED C#C[C@@H](C)N[C@H](C)CCCCCC 229519700 OVQUEBKRJGNHSS-VXGBXAGGSA-N 181.323 2.957 30 20 AFED N#C[C@@]1(CCF)C[C@H]2CC[C@H]1C2 307523400 IIWHVZMPCGVIOY-LPEHRKFASA-N 167.227 2.676 30 20 AFED CCOC1(C=O)CCC(C)(C)CC1 307632757 MNYPGWQJLAMFIS-UHFFFAOYSA-N 184.279 2.561 30 20 AFED CCON=Cc1sccc1Cl 307902555 OTKOODZNLCBELC-UHFFFAOYSA-N 189.667 2.772 30 20 AFED CCSCCC=NOCC(C)C 308020463 UJYSOHOTJNZHCK-UHFFFAOYSA-N 189.324 2.788 30 20 AFED C=CCN[C@H](CC)c1c(C)noc1C 308589294 JOYXFKISAJDEGC-SNVBAGLBSA-N 194.278 2.518 30 20 AFED C=C(C)CN1CCCC(F)(F)CC1 625767847 XHFBFAAWMGVHAY-UHFFFAOYSA-N 189.249 2.684 30 20 AFED C=CCCCN1CCCC(F)(F)C1 649693193 VVXJSHNZKVRESO-UHFFFAOYSA-N 189.249 2.684 30 20 AFED C1CC(=NN2CCC2)C[C@H](C2CC2)C1 872396670 LMCRUXBPFYESOF-LLVKDONJSA-N 192.306 2.648 30 20 AFED C=C(CC)C(=O)NCC1(C)CCCC1 1346421490 NMDWSLAQWVENRX-UHFFFAOYSA-N 195.306 2.649 30 20 AFED C#C[C@]1(C)CCCN1Cc1ccccc1 1898243832 WTOVYAAGOJSWEX-CQSZACIVSA-N 199.297 2.674 30 20 AFED C=CCN1C[C@H](C)c2ccccc21 36436957 JSGUCJRDMYGLJD-JTQLQIEISA-N 173.259 2.796 30 20 AFED C[C@@H](C#N)CCc1ccccc1 37245465 NMTJMXBJZJSGFM-SNVBAGLBSA-N 159.232 2.779 30 20 AFED CC[C@H](C)CN(CC#N)C1CCCC1 70715041 VIUGKSXCQUAYOT-NSHDSACASA-N 194.322 2.801 30 20 AFED CCN(CCCC(C)(C)C#N)C1CC1 83642689 NCHXMCWQMBCTAY-UHFFFAOYSA-N 194.322 2.801 30 20 AFED C=C(CC)COc1ccc(CO)cc1 85059457 HJBJUINQSAYTNW-UHFFFAOYSA-N 192.258 2.524 30 20 AFED CON=C1CCc2c(Cl)cccc21 308443510 ADWHTLVONVXUSI-UHFFFAOYSA-N 195.649 2.637 30 20 AFED C#C[C@H](C)N[C@H](CCC)C1CCCC1 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177.203 2.912 30 20 AFED CC[C@H](NCC(C)(C)CC#N)C1CC1 591243076 MXRFDKBANPCBMU-NSHDSACASA-N 194.322 2.704 30 20 AFED CC#CCN1C[C@@H](C)c2ccccc21 607726786 KKEIJDXQTYIITP-LLVKDONJSA-N 185.270 2.633 30 20 AFED C=CCCC(=NNCC(C)C)C1CC1 771568060 WBMYWRCSDPUEPG-UHFFFAOYSA-N 194.322 2.964 30 20 AFED C=CCN(C[C@@H]1CCC[C@H](C)C1)OC 810139981 NWLOHJLUAIWVTG-NWDGAFQWSA-N 197.322 2.862 30 20 AFED C#Cc1ccc(CNCCC(=C)C)cc1 824743859 RBGMZEDQAJNBPU-UHFFFAOYSA-N 199.297 2.724 30 20 AFED C=C(CC)CNC(=O)/C(C)=C(/C)CC 837098801 FDPOBDWFWXSIKR-KHPPLWFESA-N 195.306 2.815 30 20 AFED C#CCCCNC1CC2(CCCC2)C1 925162313 UOQJNIDZMLMUSQ-UHFFFAOYSA-N 191.318 2.712 30 20 AFED C=C[C@H](CC)CC(=O)NC1CC(C)C1 934024605 VASZYIMWLONDEO-HSOILSAZSA-N 195.306 2.503 30 20 AFED CCC(CC)Nc1cc(C#N)ccn1 19505333 QRIDYLLRPQHSKF-UHFFFAOYSA-N 189.262 2.554 30 20 AFED C=C(C)CSc1nccs1 306190977 NDRCQRBTCVWWNL-UHFFFAOYSA-N 171.290 2.811 30 20 AFED C=CCNc1cc(F)c(OC)c(F)c1 306532573 GTSSTEKYUGYOKX-UHFFFAOYSA-N 199.200 2.571 30 20 AFED 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2.522 30 20 AFED C=CCCC(CC)=NOCC 307899260 LRLUGOWTUGOZCG-UHFFFAOYSA-N 155.241 2.755 30 20 AFED C#C[C@@H](C)N[C@@H](CCC)CCC=C 308370608 QASKTWPGXRBPPQ-NEPJUHHUSA-N 179.307 2.733 30 20 AFED C=C(C)CCN(C)CC(C)(C)C 379336477 QODMKONNFIQTJZ-UHFFFAOYSA-N 169.312 2.931 30 20 AFED C=CCCS[C@@H](C)c1nnc(C)o1 381873804 ZQMZHXOBGPVMGM-ZETCQYMHSA-N 198.291 2.748 30 20 AFED C=CCCCN(C)[C@@H](C)CC 388160063 URKPZBYIIHXEGL-JTQLQIEISA-N 155.285 2.683 30 20 AFED Cc1ncccc1CSCCC#N 591132991 SSTBGYLRPUHWFO-UHFFFAOYSA-N 192.287 2.537 30 20 AFED CCN(CCC1CCCC1)[C@H](C)C#N 595814615 WQHVMLKPBJYGCV-LLVKDONJSA-N 194.322 2.801 30 20 AFED C=CCCCNC(=O)C(C)(C)C(=C)C 644713525 CAJWSOFANCZDRB-UHFFFAOYSA-N 195.306 2.671 30 20 AFED C[C@H]1CC[C@@H](C)CC1=NNC1CC1 834968153 FNLUHWOAEGWMJI-BDAKNGLRSA-N 180.295 2.551 30 20 AFED C=C(C)CCC(=O)NC1CCCCC1 1336424837 WTGONNRFBKKUSQ-UHFFFAOYSA-N 195.306 2.792 30 20 AFED CC[C@H](C#N)Sc1nccs1 43557700 UAKFNZXLFOXTKP-ZCFIWIBFSA-N 184.289 2.537 30 20 AFED N#CCCCCSc1ccccn1 49579599 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2.807 30 20 AFED CC#CCCOC(=O)C1(C)CCCC1 760288119 YVFLWPJHMXDMIV-UHFFFAOYSA-N 194.274 2.523 30 20 AFED CC(C)ON=C1CCC[C@H]1CCF 835002871 RLKDPKZYVAJVOX-VIFPVBQESA-N 187.258 2.927 30 20 AFED CC(C)ON=Cc1ccc(F)cc1 835004179 NUWFVTXAGHDITG-UHFFFAOYSA-N 181.210 2.585 30 20 AFED CCCON=C1CC[C@@H]1C1CCC1 842550773 KNURFERSTADCGL-SNVBAGLBSA-N 181.279 2.979 30 20 AFED CCC(C)=NNc1ccc(Cl)cn1 853437973 LTOSIJPJZIVXIB-UHFFFAOYSA-N 197.669 2.933 30 20 AFED Fc1ccccc1CON=CC1CC1 853736674 JWOHUAKWRAZRSA-UHFFFAOYSA-N 193.221 2.738 30 20 AFED C=C(CC)CN1C[C@H]2CCC[C@H]1C2 934377958 NCQKLUXPPAHKMI-RYUDHWBXSA-N 179.307 2.827 30 20 AFED C=C(C)CCC(=O)NCCCC1CC1 1358173018 JXVCXAJJLPANOT-UHFFFAOYSA-N 195.306 2.649 30 20 AFED CCN(CCCCC#N)C1CCCC1 49579387 SJJMKRJJYKZQGU-UHFFFAOYSA-N 194.322 2.945 30 20 AFED C#CCCOc1ccc(Cl)c(F)c1 161006149 UZGWOIQHZOYTBZ-UHFFFAOYSA-N 198.624 2.881 30 20 AFED C#CCCCN1c2ccccc2C[C@@H]1C 161089785 SOGHFWNHGGSHDC-LBPRGKRZSA-N 199.297 2.851 30 20 AFED C[C@@H](S)Cc1ccccc1F 162595453 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AFED C[C@H]1CCCC[C@H]1CS 202110303 FMCFDMLOEPYOAD-YUMQZZPRSA-N 144.283 2.743 30 20 AFED C=CCCCCCN(C)CCC#N 218971810 JMOGYUBIUDNLOG-UHFFFAOYSA-N 180.295 2.578 30 20 AFED C#CCCCNC(CCC)CCC 226329000 ACDLWAGIOGZBKK-UHFFFAOYSA-N 181.323 2.958 30 20 AFED C=C[C@H](C)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 300331511 CGGLVDIRVJLPNH-PPCPHDFISA-N 193.334 2.975 30 20 AFED CC[C@H](C)C1(C=O)CCCC1 306310349 TYNKPRDZKXZOCP-VIFPVBQESA-N 154.253 2.792 30 20 AFED C=CCCOC(=O)[C@@H](C)[C@H](C)CC 308312586 SKFMHGTYXVUIIF-ZJUUUORDSA-N 184.279 2.788 30 20 AFED C=CC[C@H](CC)Nc1cccc(F)n1 308554557 YVDFYBUUBHOKHY-VIFPVBQESA-N 194.253 2.987 30 20 AFED N#Cc1ccc2c(c1)C1(CCCC1)CN2 536952244 BTBCTYZEVRDFGN-UHFFFAOYSA-N 198.269 2.796 30 20 AFED CC(C)(C)C#Cc1ncccc1F 585143791 NASLPTQIXQOQLQ-UHFFFAOYSA-N 177.222 2.618 30 20 AFED CCCCCOC(=O)[C@](C)(C#N)CC 796839431 PGGWEHSSEYJJDV-NSHDSACASA-N 197.278 2.660 30 20 AFED C=CC(C)(C)C(=O)OCC1CCCC1 835092727 VOBGJUWIJJMPOW-UHFFFAOYSA-N 196.290 2.932 30 20 AFED C=C(C)CON=C1CC[C@H](C)C1 844619694 JQISLNKMSGGAHH-VIFPVBQESA-N 167.252 2.755 30 20 AFED C[C@@H](NCCCC#N)c1ccccc1 20035383 LERQUCTYJYOZTR-LLVKDONJSA-N 188.274 2.641 30 20 AFED C#CCCNc1c(C)cccc1C 82497057 YEYNEOOLUHUQNB-UHFFFAOYSA-N 173.259 2.739 30 20 AFED CCN[C@H](CC)c1ccc(C#N)cc1 159737623 KVINADOMUWQAID-GFCCVEGCSA-N 188.274 2.619 30 20 AFED C=C(C)C(=O)c1ccnc2ccccc12 161117599 NHVNHCGXJBGXRK-UHFFFAOYSA-N 197.237 2.994 30 20 AFED in-vitro C=C[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C 235580594 UAMMKFUAXLGXDU-GARJFASQSA-N 181.323 2.975 30 20 AFED C#C[C@@H](N[C@H]1CCC(C)(C)C1)C(C)C 300898214 KPQJVJJYBCNNQA-NWDGAFQWSA-N 193.334 2.813 30 20 AFED O=C[C@]1(CC(F)F)C[C@H]2CC[C@H]1C2 306349968 LLDQPHHRTOXHOO-OYNCUSHFSA-N 188.217 2.647 30 20 AFED FCCCCCON=C1CCC1 308082268 KLFVGMRGJYLXBO-UHFFFAOYSA-N 173.231 2.683 30 20 AFED C=CCCCSCCn1cccn1 308347153 WANICUDAKXOUQO-UHFFFAOYSA-N 196.319 2.583 30 20 AFED C=CCCN[C@H](C1CC1)C(C)(C)C 324009166 OVEDDIWNCINFKQ-LLVKDONJSA-N 181.323 2.977 30 20 AFED C=CCCC(=O)N1CCCC[C@@H](C)C1 336076222 KNJABEMVTXZTRH-LLVKDONJSA-N 195.306 2.601 30 20 AFED C=CCCCN(CC)C1CCC1 379329587 VJMJIPDAULEZLB-UHFFFAOYSA-N 167.296 2.827 30 20 AFED C=CCCCC(=O)OC[C@H](C)CC 379385795 VJVGOJWTSUYRMT-SNVBAGLBSA-N 184.279 2.932 30 20 AFED C=C(C)CCNCc1occc1C 379391415 POIUGAWOUUCLQA-UHFFFAOYSA-N 179.263 2.644 30 20 AFED C#CCCCSc1ncccc1C 388373569 YEIXNCMHOIBLSS-UHFFFAOYSA-N 191.299 2.896 30 20 AFED C[C@H](CCC#N)CNC[C@@H]1CC1(C)C 602561306 DJRVZDAURNAECE-MNOVXSKESA-N 194.322 2.562 30 20 AFED CC#CCCN(C)[C@H]1CCC(C)(C)C1 684625324 PBFPZXYWWKKYBJ-LBPRGKRZSA-N 193.334 2.910 30 20 AFED C=C(C)CNC(=O)/C=C(\C)C(C)(C)C 779069645 XUBGWMKXXKDBLB-JXMROGBWSA-N 195.306 2.671 30 20 AFED C=CCCOC(=O)c1ccoc1CC 797487742 TUPKGRQHIBXUBF-UHFFFAOYSA-N 194.230 2.575 30 20 AFED CCC[C@H](CC)C(=O)OCCCC#N 873419505 UOXVSSODPAXUGV-JTQLQIEISA-N 197.278 2.660 30 20 AFED CCCCCCCC(=O)O[C@H](C)C#N 919222318 XITRTUMEAURDMY-SNVBAGLBSA-N 197.278 2.802 30 20 AFED C=CC(C)(C)CC(=O)O[C@H]1C=CCC1 1516908203 XQRHDRCSNAJSFF-JTQLQIEISA-N 194.274 2.851 30 20 AFED C=C(C)COCCNCC(CC)CC 159288415 OGMKJIRSZPDVKS-UHFFFAOYSA-N 199.338 2.605 30 20 AFED C#CCCCN(C)c1ccccc1F 161143337 ONFBPXISWHWVON-UHFFFAOYSA-N 191.249 2.675 30 20 AFED C#C[C@@H](CC)NC1CCC(CC)CC1 229518890 OBKPXZXQIDAPFL-CPCZMJQVSA-N 193.334 2.957 30 20 AFED C#C[C@H](C)N[C@H]1CCC[C@H](CC)C1 229535529 QWDYBSYEDDJESZ-SRVKXCTJSA-N 179.307 2.567 30 20 AFED C=CC[C@H](C)[C@@H](C)NCC[C@H](C)OC 308580442 GHSYRFIBFARXOL-SDDRHHMPSA-N 199.338 2.602 30 20 AFED CC[C@H](C)NN=C1CC[C@@H](C)C1 382117435 MOUMQRZBSVMINC-BDAKNGLRSA-N 168.284 2.551 30 20 AFED CC[C@@H](NC[C@H](C)C#N)C1CCCC1 395777698 WGRKQQGZILDQDV-ZYHUDNBSSA-N 194.322 2.704 30 20 AFED C=CCCC(=O)N(C(C)C)C1CCC1 607069376 UJEGIGYGMLWJGJ-UHFFFAOYSA-N 195.306 2.742 30 20 AFED C=C(C)CN(CC)CCOCC(C)C 669687661 SQMMEEKRBNJKLX-UHFFFAOYSA-N 199.338 2.557 30 20 AFED C=CC[C@H](CC)NC(=O)/C=C\CCC 799034941 OPOCPRRXMSUIPB-IEHMKBBKSA-N 195.306 2.814 30 20 AFED C(=NOCCCC1CCC1)C1CC1 853736317 WBSAXQPQNJWNGR-UHFFFAOYSA-N 181.279 2.979 30 20 AFED C=C1CC(c2noc([C@H]3C[C@@H]3C)n2)C1 896885172 YFOHZHKFEGWGKN-CBAPKCEASA-N 190.246 2.627 30 20 AFED N#CCc1ccc(NCC2CC2)cc1 37071523 GIDDWWXQYUYAOO-UHFFFAOYSA-N 186.258 2.575 30 20 AFED CC(C)C1CCC(NCCC#N)CC1 54554659 CGAIRUIEHVSIPL-UHFFFAOYSA-N 194.322 2.704 30 20 AFED C[C@H]1CCCCN1CCC(C)(C)C#N 83640479 MKCHGFPBIIOFBE-NSHDSACASA-N 194.322 2.801 30 20 AFED CC[C@H](S)Cc1ccccc1 116384550 WDZXMWCVLSAJDH-JTQLQIEISA-N 166.289 2.938 30 20 AFED C=CC[C@@H](C)NC1CCCCC1 126886631 UPDCILHDBGIZIN-SNVBAGLBSA-N 167.296 2.873 30 20 AFED C#C[C@H](CC)N[C@H]1CCC(C)(C)C1 128967731 IWTQIFHFKWVPIX-MNOVXSKESA-N 179.307 2.567 30 20 AFED C[C@H](S)Cc1ccccc1F 162595330 HGGIWILUIDYRKK-ZETCQYMHSA-N 170.252 2.687 30 20 AFED CC(C)C(C)(C)CC#N 200325395 NFFDLENKVNHMPC-UHFFFAOYSA-N 125.215 2.582 30 20 AFED C=C(C)CN(CC)[C@@H](C)CC 220969429 LMQHZUAZXWKAMV-JTQLQIEISA-N 155.285 2.683 30 20 AFED C=C(C)CC1(C=O)CCCC1 306408698 ITFPQPCJMVPYGI-UHFFFAOYSA-N 152.237 2.712 30 20 AFED C#CCSc1ncc(C(C)(C)C)o1 307092244 YTNBONNGFHHCBL-UHFFFAOYSA-N 195.287 2.697 30 20 AFED C=C[C@H](C)[C@@]1(C=O)CCC[C@@H]1C 307624959 OKZDHTOYBVJVPR-DCAQKATOSA-N 166.264 2.814 30 20 AFED C1CCC(=NOCCC2CC2)C1 308092409 VAZKCLFRMIWBBM-UHFFFAOYSA-N 167.252 2.733 30 20 AFED C#CCCCN[C@@H](CC)C1CCC1 322308417 XHTGNLHZFDKGOL-LBPRGKRZSA-N 179.307 2.568 30 20 AFED C=CCCn1ccc(=O)c2ccccc21 336318429 PPGHBZNKPYMWGO-UHFFFAOYSA-N 199.253 2.578 30 20 AFED C=C(C)CCNC1[C@H](C)CC[C@H]1C 379387742 ICXZGLWFBUDPAR-GHMZBOCLSA-N 181.323 2.977 30 20 AFED C=C(C)CN1CCC(C)(C)CC1 588904616 JFDRATVWPCVDPG-UHFFFAOYSA-N 167.296 2.685 30 20 AFED CC/C=C\CCN[C@H](CC)CC#N 594006869 ULTFRCFNTFCPKF-ISALQUGTSA-N 180.295 2.625 30 20 AFED CCC#C[C@@H](C)N(CC)CC1CCC1 684624617 VTERMSAWOHZWMS-GFCCVEGCSA-N 193.334 2.910 30 20 AFED C=CCN(C)Cc1ccc(CF)cc1 778170455 QZFQSPUKBFSGMF-UHFFFAOYSA-N 193.265 2.774 30 20 AFED Cc1occc1C=NOCC(C)C 841632011 IRMODRHGZYQYDW-UHFFFAOYSA-N 181.235 2.595 30 20 AFED C=CCCN[C@@H]1CCCC[C@H]1C 70591399 XVZVGINHTKECJD-GHMZBOCLSA-N 167.296 2.731 30 20 AFED C=CCn1cnc2cc(F)c(F)cc21 136001432 OKRTXGGOODUDSL-UHFFFAOYSA-N 194.184 2.501 30 20 AFED C=CCCNc1cc(C(C)C)ncn1 168861885 ZWFDWFBLPSGZAS-UHFFFAOYSA-N 191.278 2.588 30 20 AFED N#CC1(CNC2CCCCC2)CCC1 258778971 ZOYWTOKUTSRFJG-UHFFFAOYSA-N 192.306 2.603 30 20 AFED C=C(C)C[C@]1(C=O)C[C@H]2CC[C@H]1C2 306185371 RIVOIASTXATIHJ-SDDRHHMPSA-N 178.275 2.958 30 20 AFED C=CCCN1CCC[C@H]2CCC[C@H]21 307457648 ZPRXQGPSVSXOGP-VXGBXAGGSA-N 179.307 2.827 30 20 AFED C=CCCS[C@H](C)c1cnccn1 308298606 KVDPALBMYYUEOA-SECBINFHSA-N 194.303 2.847 30 20 AFED C=CCCC[C@H](C)N[C@H](CC)COC 308590099 KAMIZIHCNNGJKI-NWDGAFQWSA-N 199.338 2.746 30 20 AFED C#CCCCN[C@H]1CCC[C@@H]1C(C)C 308645869 HOTRXGCADIUHNB-OLZOCXBDSA-N 193.334 2.814 30 20 AFED N#CC1(CSC2CCC2)CCC1 336270122 MJRCBYUUKPIZGA-UHFFFAOYSA-N 181.304 2.966 30 20 AFED CC(C)CNN=C[C@H]1CC[C@@H](C)C1 379387188 GVVBLVIAKXLNHN-MNOVXSKESA-N 182.311 2.654 30 20 AFED C=CC[C@H](CC)N[C@@H]1CSC[C@H]1C 393766119 CVLRBYUHFNGITQ-OUAUKWLOSA-N 199.363 2.682 30 20 AFED CC[C@H](C)[C@@H](C)NC[C@H](C)CCC#N 602521863 SWCIIORCWYGFHP-GRYCIOLGSA-N 196.338 2.950 30 20 AFED C=C(C)COc1ccc(OC)c(C)c1 678480829 PSLCEXHAFLCJCW-UHFFFAOYSA-N 192.258 2.959 30 20 AFED C[C@@H]1C[C@@H]1C=NNc1cccc(F)c1 758375527 VEAWUSMDQRGCDO-RKDXNWHRSA-N 192.237 2.879 30 20 AFED C#CCCN(CC)c1cccc(C#C)c1 760858072 WUCRYVOJLTVMQD-UHFFFAOYSA-N 197.281 2.518 30 20 AFED C=CCCN(C)C(=O)[C@H](CC)CCC 822324574 FENALLBDEBIXNU-LLVKDONJSA-N 197.322 2.847 30 20 AFED C=C[C@H](C)ON=Cc1ccc(CC)o1 844622381 YKSYUEPWXNAXGC-VIFPVBQESA-N 193.246 2.767 30 20 AFED C#CCCCCCCNC[C@H]1C[C@@H]1C 876931731 UDFDWVAQXAMKQO-QWHCGFSZSA-N 193.334 2.816 30 20 AFED C=C[C@@H](CC)CC(=O)NCC1(C)CC1 934067187 YHTCWTJQXHIZNI-JTQLQIEISA-N 195.306 2.505 30 20 AFED Cc1c(C#N)cc(Cl)nc1Cl 39140532 TUFQHHCXSKXVFU-UHFFFAOYSA-N 187.029 2.569 30 20 AFED C#CCCNC1CCC(C)(C)CC1 70654383 PJSKFILTCRUIRX-UHFFFAOYSA-N 179.307 2.568 30 20 AFED CCCN(CCC)[C@H]1CC[C@@H](C#N)C1 113219485 MIUJAIUXLIGBMI-NEPJUHHUSA-N 194.322 2.801 30 20 AFED C=CCC[C@@H](C)NCc1nccs1 126772169 SVSVXCDTHXVHKS-SECBINFHSA-N 196.319 2.587 30 20 AFED C#C[C@H](CC)NC[C@H]1CCCC[C@H]1C 252936058 FVPZWJXUBLSKQY-JHJVBQTASA-N 193.334 2.814 30 20 AFED N#CC1(C(=O)c2ccccc2)CCCC1 260742831 PABLLUNNWRMQLE-UHFFFAOYSA-N 199.253 2.953 30 20 AFED C[C@@H]1[C@H](C=O)[C@H]1C1CCCCC1 307111844 LQQSPOQITAZDRQ-DVVUODLYSA-N 166.264 2.648 30 20 AFED C1CC(ON=C2C[C@H]3CC[C@H]2C3)C1 378865528 ZODJXDISMCVSHD-IUCAKERBSA-N 179.263 2.732 30 20 AFED C(#CC1CC1)c1nccc2occc12 585143954 VLPOKDWVGZIPEN-UHFFFAOYSA-N 183.210 2.589 30 20 AFED CN(CCC#N)CCCC1CCCC1 610675971 UKJSOIRTFSORBX-UHFFFAOYSA-N 194.322 2.802 30 20 AFED CCC[C@H](C)OC(=O)[C@@](C)(C#N)CC 802798689 QPAFWHWRLBLWQN-GXSJLCMTSA-N 197.278 2.658 30 20 AFED Cc1cnc(CSCCC#N)s1 840215611 ZVERSIATAREDHT-UHFFFAOYSA-N 198.316 2.598 30 20 AFED C=CCC1(c2nnc(C)o2)CCCC1 1261571895 RXDFGCLIYSNHKD-UHFFFAOYSA-N 192.262 2.766 30 20 AFED Cc1ccc(C#N)cc1NC(C)C 50429518 ZEVBAYJLQCNLMH-UHFFFAOYSA-N 174.247 2.687 30 20 AFED CC#CCNc1cc(C)ccc1C 51663047 REZKWBYSNWPSQZ-UHFFFAOYSA-N 173.259 2.739 30 20 AFED C=CCCOC(=O)C(C)(C)CC 59756883 QFJIIPKPPGPNHS-UHFFFAOYSA-N 170.252 2.542 30 20 AFED C=CCCN[C@H](CC)c1nccs1 70634276 ODHUPSTUVRVBJK-SECBINFHSA-N 196.319 2.760 30 20 AFED C=C[C@H](C)Nc1cccc(Cl)n1 229319876 DVZLXOWFUCFLNN-ZETCQYMHSA-N 182.654 2.721 30 20 AFED C#C[C@@H](CC)NCC(C(C)C)C(C)C 229547569 GFIZJVNNIMATPD-LBPRGKRZSA-N 195.350 2.916 30 20 AFED N#CC1(c2cccc(O)c2)CCCC1 238677092 NXHXFOOFIIBPKO-UHFFFAOYSA-N 187.242 2.728 30 20 AFED C=C[C@@H]1CCCCN1C[C@H]1C[C@H]1C 307523929 ZVIVTLGXBFFEOO-IJLUTSLNSA-N 179.307 2.683 30 20 AFED C=C(CC)CN(C)C[C@@H](C)CC 307958293 SWLBNAUVDUCGAL-NSHDSACASA-N 169.312 2.931 30 20 AFED CCC(=NOC/C=C\Cl)C1CC1 308062189 WVDBWILNFDHMCZ-ZVFLHEHDSA-N 187.670 2.932 30 20 AFED CCCC[C@@H](CC)NCCCC#N 308231866 PDEJEOWHLKBRAQ-LLVKDONJSA-N 182.311 2.849 30 20 AFED C[C@@H]1CC[C@@H](C)N1CC1(C#N)CCC1 336191520 XSTWYIOSMMSJAG-GHMZBOCLSA-N 192.306 2.553 30 20 AFED C=CC(C)(C)CN[C@H]1CC[C@@H](C)C1 384962747 NSHYCQJAKAXNJB-MNOVXSKESA-N 181.323 2.977 30 20 AFED C[C@H](CCC#N)N1CCC(C)(C)CC1 591012560 QLIXRVHYYZCENP-LLVKDONJSA-N 194.322 2.801 30 20 AFED C=CC(C)(C)C(=O)NCC[C@H](C)CC 617640993 HZZYSQJCAMENDD-SNVBAGLBSA-N 197.322 2.751 30 20 AFED CCC1(N[C@@H](C)CC(C)(C)C#N)CC1 695842709 MCPISYQWDWUBCP-JTQLQIEISA-N 194.322 2.847 30 20 AFED CCC(=NOCCOC(C)C)C1CC1 812238955 IYZMZRFPJCNPJQ-UHFFFAOYSA-N 199.294 2.604 30 20 AFED C=CCN(Cc1ccccc1)OCC 832791551 RLIJAXJSTUOBKO-UHFFFAOYSA-N 191.274 2.626 30 20 AFED C=C[C@H](C)ON=Cc1ccoc1C 844621187 VVCYGNWOLVIDPT-QMMMGPOBSA-N 179.219 2.513 30 20 AFED COc1ccc(NN=C(C)C)cc1 34349080 STJROFNHNCUGHJ-UHFFFAOYSA-N 178.235 2.503 30 20 AFED C#CCCN(CC(C)C)C1CCCC1 87286825 ASYCKUCPNMGAIF-UHFFFAOYSA-N 193.334 2.910 30 20 AFED C=C[C@H](C)NC[C@H]1CC=CCC1 159287203 ZOOYFCOMDGUYNV-QWRGUYRKSA-N 165.280 2.507 30 20 AFED C=C[C@H](C)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 300331510 CGGLVDIRVJLPNH-PJSNJIKXSA-N 193.334 2.975 30 20 AFED CC(C)C[C@@H](C)CNCCCC#N 308162732 WCSZHQGWFNZBNY-LLVKDONJSA-N 182.311 2.562 30 20 AFED CCC(C[C@H](C)CC)=NNC1CC1 308308090 PJIKDEJMIVKZFC-SECBINFHSA-N 182.311 2.941 30 20 AFED C=CC[C@@H](CC)Nc1ncccc1F 308500259 GEGQZNFILLXHPF-SECBINFHSA-N 194.253 2.987 30 20 AFED C=CCCCCCCNC(=O)C(C)C 308557368 UVOWKDTVDNRKIX-UHFFFAOYSA-N 197.322 2.895 30 20 AFED CC(C)[C@H]1CN(CCC#N)[C@@H]1C(C)C 590776690 DSRLGOOZINTTJP-VXGBXAGGSA-N 194.322 2.512 30 20 AFED CC#CCN1CC(C)(C)[C@H]2CCC[C@@H]21 645248342 AFKHMNHGAZBULW-RYUDHWBXSA-N 191.318 2.520 30 20 AFED C=CCCC(C)(C)NC[C@H]1C[C@@H]1C 668778331 ONYFFJGLFMMUIS-WDEREUQCSA-N 181.323 2.977 30 20 AFED C=C(C)C(C)(C)C(=O)OCCC 819949476 WIGMRGKADZGIOE-UHFFFAOYSA-N 170.252 2.542 30 20 AFED C=CC(C)(C)CC(=O)OC/C=C\C 884649964 UZXSKHRFSZLHRK-ALCCZGGFSA-N 182.263 2.708 30 20 AFED Cc1ccc([C@@H](C)C#N)cc1C 19728852 YLCFCVZONWUKMC-JTQLQIEISA-N 159.232 2.931 30 20 AFED C=CCN[C@H](CC)c1ccccc1 19875792 XKNQANPNQUDRCN-GFCCVEGCSA-N 175.275 2.913 30 20 AFED 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