smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H]1CCC[C@H](C2(C=O)CCC2)C1	307366968	NYBSXGNDWYMBTN-QWRGUYRKSA-N	180.291	3.182	30	20	AGED	
C=C(CC)CN1CC[C@@H](C)[C@@H]1CC	308417085	NLEJAMQMIJSGHJ-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CNC1[C@@H](C)CCC[C@@H]1C	308595252	MFGZBHGOVIISNJ-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
CC[C@@H]1CCCC[C@@H]1[C@H]1C[C@@H]1C=O	521400253	HFVCLAQVAWZUQZ-WYUUTHIRSA-N	180.291	3.038	30	20	AGED	
C#C[C@H](N[C@@H](C)CC(C)C)C(C)(C)C	308518269	NSBIKPHYLUDLAB-RYUDHWBXSA-N	195.350	3.059	30	20	AGED	
C=CCC[C@@H](CCC)NC1CC=CC1	308548463	WLXGEXREGULALZ-GFCCVEGCSA-N	193.334	3.430	30	20	AGED	
CC(C)=CCCn1cc(C)c(C#N)c1	596266642	WCDJWVUSCQBIBK-UHFFFAOYSA-N	188.274	3.025	30	20	AGED	
C=C(C)c1ccc([C@@H]2CCCN2)cc1	629729912	JPXAFJAYNHKCPC-ZDUSSCGKSA-N	187.286	3.144	30	20	AGED	
C=CC[C@H](C)C(C)=NOCCC1CC1	814247100	RCKGSUAOUWLNBG-JTQLQIEISA-N	195.306	3.391	30	20	AGED	
CC(C)C1CCC(S)CC1	54557086	DGDOBSHCHFIBPS-UHFFFAOYSA-N	158.310	3.131	30	20	AGED	
C=CC[C@H](C)NCc1ccc(C)s1	124251433	RJZCBPWGRCJAKF-VIFPVBQESA-N	195.331	3.111	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CCC[C@@H](C)C1	306184506	PXVFDGOQGMZALK-WOPDTQHZSA-N	182.307	3.428	30	20	AGED	
C=CCCCC[C@H](C)N[C@H](C)C=C	648474778	COKCEWVYNNVKKD-NEPJUHHUSA-N	181.323	3.285	30	20	AGED	
C=CCCN[C@H](C)[C@@H](C)CCCC	658114741	QOXHXTBVVIOGIK-NWDGAFQWSA-N	183.339	3.367	30	20	AGED	
CCCON=C1CCCCC[C@@H]1C	844601863	QPTBABPUYRXFOT-JTQLQIEISA-N	183.295	3.369	30	20	AGED	
C=C[C@H](C)ON=C1C[C@@H](C)CC[C@H]1C	844620342	JZQGVGVVRXLKBV-AXFHLTTASA-N	195.306	3.390	30	20	AGED	
C=CCC[C@@H](CC)N[C@H]1C=CCC1	850511058	YTQWWQQNVBCJTR-NEPJUHHUSA-N	179.307	3.039	30	20	AGED	
C=CCCN[C@@H](C)c1cc(C)oc1C	70592137	IZTMNWVRXFCALS-JTQLQIEISA-N	193.290	3.123	30	20	AGED	
C=CCCN[C@@H](CC)c1ccccc1	70592238	PHEYVTXADIQGFB-ZDUSSCGKSA-N	189.302	3.303	30	20	AGED	
CC[C@@H]1CCC[C@H](C(C)(C)C=O)C1	306461893	GTJCAGUPRUKAFA-MNOVXSKESA-N	182.307	3.428	30	20	AGED	
CC#CCCSC1CCCCC1	307669508	SKTJHSIDKHFXOV-UHFFFAOYSA-N	182.332	3.466	30	20	AGED	
C=CCCCN1CCC[C@@H](C)[C@@H]1C	308199068	TVWJTLAQVOIMGC-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCCN[C@@H](C)CCC	379314920	QNPLJPOZHVGAJT-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C#C[C@@H](N[C@H](C)CCCC)C(C)(C)C	389365115	UPNPARXCXRCODJ-VXGBXAGGSA-N	195.350	3.203	30	20	AGED	
CCC[C@H](C)N(C)C[C@H](C)CCC#N	602441162	UNQQNVMFOWDHQH-NEPJUHHUSA-N	196.338	3.047	30	20	AGED	
C=CC[C@@H]1CCCC[C@H]1NC1CCC1	657912277	AVVGRSTWKLFNRZ-DGCLKSJQSA-N	193.334	3.263	30	20	AGED	
CC(C)CNN=C1CCC[C@@H](C)[C@@H]1C	781124286	CUNRVZOVAZJHOI-MNOVXSKESA-N	196.338	3.044	30	20	AGED	
C=CCON=C[C@H]1C(C)=CCC[C@H]1C	835013770	XCXKNXGIWGUVTO-NEPJUHHUSA-N	193.290	3.167	30	20	AGED	
C=C(CC)CNc1ccccc1OC	85056925	ILUXWLOHYZTDFL-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
CCCCCC(C)(C)CNCCC#N	87399418	GBUHWUGFSCRBKX-UHFFFAOYSA-N	196.338	3.096	30	20	AGED	
C=CCOc1ccc(CCC)cc1	139018425	KRFPKWYXWKSMDX-UHFFFAOYSA-N	176.259	3.204	30	20	AGED	
CC#CCCOc1c(C)cccc1C	157746526	LIFJIDQTZURGAJ-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C=CCN(CC)c1cccc(C)c1	197865565	PHLLHZGMJJIWCK-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
Cl/C=C\CON=C[C@@H]1CC=CCC1	393565146	PFJGSVTZHWSEKL-RRZGUKNSSA-N	199.681	3.098	30	20	AGED	
CC(C)[C@H](C)S[C@@H](C#N)C1CC1	601079182	XGSARTUXJDBIHB-WPRPVWTQSA-N	183.320	3.066	30	20	AGED	
C=C(C)CCN1CCC[C@H](C(C)C)C1	682041667	MJNFUERTLBCLFT-ZDUSSCGKSA-N	195.350	3.321	30	20	AGED	
CC[C@H](C)NN=C(C)CC1CCCC1	790188178	IALWACIEMOOCJF-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CCC(=NN[C@H](C)C(C)(C)C)C1CC1	793116445	SRSLGOWSCAXNIF-SECBINFHSA-N	196.338	3.187	30	20	AGED	
C=CCCN[C@@H](C)c1ccccc1C	70592004	RNABYISHWGVVJN-LBPRGKRZSA-N	189.302	3.222	30	20	AGED	
C=C(Cl)COc1cccc(C)c1C	217837345	FOZVSHGQTUETMO-UHFFFAOYSA-N	196.677	3.435	30	20	AGED	
C=C(C)CCN1CCCCCCC1	306957310	SWIGHJWFNUBWAP-UHFFFAOYSA-N	181.323	3.219	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1	379668574	ZWJGFQFDKXGOMY-ZJUUUORDSA-N	193.290	3.122	30	20	AGED	
CC(C)[C@H](C)S[C@H](C)CCC#N	591128590	WCKDVFOZQSUCDK-ZJUUUORDSA-N	185.336	3.456	30	20	AGED	
C=CCCNc1ncc(C(C)C)s1	664228850	WAAHBVYMBXXINZ-UHFFFAOYSA-N	196.319	3.255	30	20	AGED	
CCC(CC)NN=CC1CCCCC1	734366066	CXMSCUMZVQDPPZ-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
CC(=NN[C@H](C)C(C)(C)C)C1CCC1	793115158	KSBMADQVGRYDHC-SNVBAGLBSA-N	196.338	3.187	30	20	AGED	
CCCON=Cc1ccc(CC)s1	842558332	WTGVJMHIZAXYQM-UHFFFAOYSA-N	197.303	3.071	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC[C@H]1C=CCC1	883246114	AILTZGJBCPKTNT-XQQFMLRXSA-N	193.334	3.143	30	20	AGED	
C=C(C)CCNc1ccccc1F	168949144	RPPLEIOVIVYFQP-UHFFFAOYSA-N	179.238	3.204	30	20	AGED	
C=CCN1CCC[C@H]1c1cccs1	306493232	RFXUWVFSBSIGNY-JTQLQIEISA-N	193.315	3.071	30	20	AGED	
C[C@H]1C[C@H](S)c2ccccc21	306726769	ASVIHZIMLIZHPE-XVKPBYJWSA-N	164.273	3.165	30	20	AGED	
C=C(C)CCN1CCC[C@@H](C)CC1	307546403	ZOMJQZUJBAHYMT-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCCN1CC[C@H](C2CCCC2)C1	643254549	VXHRIYKCKGATHX-ZDUSSCGKSA-N	193.334	3.075	30	20	AGED	
C=CCCCOC(=O)[C@@H](C)C(C)(C)C	735536586	RCKAUSKAHVKEGS-SNVBAGLBSA-N	198.306	3.178	30	20	AGED	
C=CCN(CCF)CC1CCCCC1	759344310	XHQVQMGEAKZNKA-UHFFFAOYSA-N	199.313	3.024	30	20	AGED	
C#CCN(CCCCCCC)C1CC1	763956481	QBNZZBUYLPXZJW-UHFFFAOYSA-N	193.334	3.054	30	20	AGED	
C=C(C)CON=C[C@@H]1CCCC[C@@H]1C	844618630	YZQHFNFFDJFAOA-RYUDHWBXSA-N	195.306	3.391	30	20	AGED	
C=CC[C@H](C)N[C@@H](CC)CCC	224732201	MOAZQNVYZQXACN-QWRGUYRKSA-N	169.312	3.119	30	20	AGED	
C=C(CC)C[C@]1(C)CCC[C@@]1(C)O	306404443	UBJWPGKHPUQJQD-NWDGAFQWSA-N	182.307	3.284	30	20	AGED	
C=CC(C)(C)CNC[C@@H]1CC=CCC1	385035297	LZVQIDPNWXZDJD-GFCCVEGCSA-N	193.334	3.145	30	20	AGED	
C=C(CC)CNC1CCC2(CC1)CC2	648840275	QLZGRNFJFAHUET-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
CC#CCNc1ccc(C(C)C)cc1	51662913	USEGQFHGSLWSKG-UHFFFAOYSA-N	187.286	3.245	30	20	AGED	
C=C[C@H](N)c1ccc(C(C)(C)C)cc1	83966358	VBTUZLQGBMWJBF-LBPRGKRZSA-N	189.302	3.170	30	20	AGED	
C=CCn1cc(-c2ccc(C)cc2)cn1	605449203	UPKIZRMRNLJNHZ-UHFFFAOYSA-N	198.269	3.045	30	20	AGED	
C1CC(ON=C2CC[C@@H]2C2CCC2)C1	814937023	RDCYBTKUQURXBZ-LLVKDONJSA-N	193.290	3.122	30	20	AGED	
C=C(CC)CN[C@H](C)c1cccs1	85057472	HATRENIJEXUTLX-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
C=CCCC[C@H](C)N[C@@H]1CC[C@@H]1C	308249003	GUPUYNDXLIFMJP-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=CC(C)(C)CN[C@H](C)c1ccoc1	384925793	GHVSSZUUWKODKU-SNVBAGLBSA-N	193.290	3.142	30	20	AGED	
C=CCCN1CCC[C@H]1C1CCCC1	606897060	KVBAXFVQCWALEB-ZDUSSCGKSA-N	193.334	3.217	30	20	AGED	
C=CCC[C@@H](CC)NC[C@@H]1C[C@H]1CC	648731997	KTKCLROGYBGHCE-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
C=CCCN1CCC(CC)(CC)CC1	681599783	YKFYQFYXMVVFMR-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C[C@@H](C)ON=C1CC2(CCCC2)C1	901261975	SLPUFWFUJIKILD-SNVBAGLBSA-N	193.290	3.288	30	20	AGED	
C=C(C)CSc1ccccc1C#N	306268029	RAZXMNMPSPOIGL-UHFFFAOYSA-N	189.283	3.226	30	20	AGED	
C[C@@H]1CC(C2(C=O)CC2)C[C@@H](C)C1	306338464	WCXBPXNRAMDQTN-UWVGGRQHSA-N	180.291	3.038	30	20	AGED	
C=C(C)CCNc1ccnc(Cl)c1	306900655	MEZSYKFIKRHIKF-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C/C(=C\Cl)CSCCCC#N	379262387	NVYIBCOFDFQIKO-SOFGYWHQSA-N	189.711	3.166	30	20	AGED	
CC[C@H](CC#N)N[C@@H](C)CC(C)(C)C	385008628	WLNJCQBCHOQHHR-WDEREUQCSA-N	196.338	3.093	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCC1CC(C)C1	621739490	KCZARAPFBGBQRJ-QZQSVVMZSA-N	195.350	3.223	30	20	AGED	
C=C(C)CON=C[C@H](C)CC(C)C	844618562	VYUGZPUTOSYAJB-LLVKDONJSA-N	183.295	3.247	30	20	AGED	
CCCCCCCOC(=O)[C@@H]1C[C@@H]1C	918493427	SYHHFYBDBOYQGU-WDEREUQCSA-N	198.306	3.156	30	20	AGED	
C=CCCCN1C[C@H](C)CC1(C)C	308315890	VKCBZJGXUPWCEW-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
CC1(C)CCC([C@@H]2C[C@H]2C=O)CC1	521401273	WELWMDVWYAOBPX-QWRGUYRKSA-N	180.291	3.038	30	20	AGED	
CCON=C(C)[C@@H]1CCCC[C@H]1C	834937128	JRVKRVUQNFDOEJ-MWLCHTKSSA-N	183.295	3.225	30	20	AGED	
C=CCON=C[C@H]1CCC[C@H](C)C1	835013254	NWGDHAKNLFDFJN-QWRGUYRKSA-N	181.279	3.001	30	20	AGED	
CC(C)c1ccc(C(C)(C)C=O)cc1	1633959	HGECJFVPNUYRJZ-UHFFFAOYSA-N	190.286	3.287	30	20	AGED	
FC(F)c1cccc(CS)c1	125150100	JFHGDINJACSVAQ-UHFFFAOYSA-N	174.215	3.054	30	20	AGED	
C=C(Cl)C[C@]1(C=O)C[C@H]2CC[C@H]1C2	306623718	FAAWSLYHTVIVLT-GARJFASQSA-N	198.693	3.134	30	20	AGED	
C[C@@H]1CCCC[C@@]1(C=O)C1CCC1	307602312	WJUQXJWPDMEMKK-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=C[C@H](C)N[C@H](C)[C@@H](C)CCCC	308328640	HJTYHSZQCIOQMP-SDDRHHMPSA-N	183.339	3.365	30	20	AGED	
C#CC(C)(C)CCc1ccccc1	585143194	HLTUHZJHURSOSW-UHFFFAOYSA-N	172.271	3.279	30	20	AGED	
C=CCCN(CC)c1cccc(C)c1	606897156	WXGDTFOMUIFBNI-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
C=CCCN1C[C@H](C)[C@H]2CCCC[C@@H]21	679861031	KLSVKENLCPRIKX-XQQFMLRXSA-N	193.334	3.073	30	20	AGED	
CC#CCCN1C[C@@H](C)c2ccccc21	680882891	NUJNKEHMNQNAMK-GFCCVEGCSA-N	199.297	3.024	30	20	AGED	
C=CCCCCC[C@H](C)NC1CC1	308226195	DUJVABMXXYWSGP-NSHDSACASA-N	181.323	3.263	30	20	AGED	
C=C(C)CN[C@@H](C)c1ccccc1C	49855314	OODPNSKCOHNHOZ-LBPRGKRZSA-N	189.302	3.222	30	20	AGED	
C#CCCOc1cc(C)cc(C)c1C	82494150	OISWBOGMPIBMPY-UHFFFAOYSA-N	188.270	3.014	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCCC1(C)CC1	308646432	HVEHBEGLLFJJRL-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=CCNC(C)(C)c1ccccc1C	378765410	COLRXRBKSOXHFH-UHFFFAOYSA-N	189.302	3.006	30	20	AGED	
C=CCCSc1cccc(O)c1	127020883	ZXUBJUWTGLITPX-UHFFFAOYSA-N	180.272	3.060	30	20	AGED	
C#C[C@@H](CC)NC1CCCCCCC1	229508588	ZMJNVCFKLJZZRS-LBPRGKRZSA-N	193.334	3.101	30	20	AGED	
C#CC1(c2cccc(Cl)c2)CCC1	238541730	YICFXNNKNULDJZ-UHFFFAOYSA-N	190.673	3.395	30	20	AGED	
C=C(C)CN1CCC[C@@](C)(CC)C1	306241825	RZMGHONUJOUFNS-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCCCCC[C@H](C)NCCC#N	308681048	XPUVACGCKOSKJL-LBPRGKRZSA-N	194.322	3.015	30	20	AGED	
C=CCSCCCC(C)(C)C#N	379337706	YYTQPVDMBCPMQP-UHFFFAOYSA-N	183.320	3.236	30	20	AGED	
CCCCN(C)CC(C)(C)CCC#N	611249543	URIUVKDHZJEEJS-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=C(CC)COC(=O)C1(CCC)CC1	773535100	LOQUQHONZGMOFT-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCCCCOC(=O)CC1(C)CC1	811013331	QJHVGKGLFJDZGM-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(CC)CSc1ccccc1O	85064520	JHSYPZOCPIGHGM-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C=CCCN(C)c1ccc(C)cc1	138251372	PBMBUADXTYJRGP-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
C=C(C)CCNCc1ccc(C)cc1	168950911	NTVXTIHQOUSCHZ-UHFFFAOYSA-N	189.302	3.051	30	20	AGED	
C[C@H]1CCC[C@H](CC2(C=O)CC2)C1	306319466	AIENBEQPZBCIQO-QWRGUYRKSA-N	180.291	3.182	30	20	AGED	
C#C[C@@H](N[C@@H](C)CC(C)C)C(C)(C)C	308518268	NSBIKPHYLUDLAB-NWDGAFQWSA-N	195.350	3.059	30	20	AGED	
CCCC[C@H](C)N(CC#N)CCCC	590201366	XPFNPIMIPFAQSI-LBPRGKRZSA-N	196.338	3.191	30	20	AGED	
C=CCC[C@@H](C)N[C@@H]1CCC[C@@H]2C[C@@H]21	657231805	UYDCXNSQICQXMY-FVCCEPFGSA-N	193.334	3.119	30	20	AGED	
C=C(C)CCN(C)C(C1CC1)C1CC1	681401756	WCKBMNYIUUZVOX-UHFFFAOYSA-N	193.334	3.073	30	20	AGED	
C=C(CC)C(=O)NCCCCCCC	1123841037	YTOTYSPAIORUCA-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
CCCSc1ccc(C#N)c(C)c1	88124892	ZELXHCYUDBVSTE-UHFFFAOYSA-N	191.299	3.369	30	20	AGED	
C=C(C)CCNc1ccc(F)c(F)c1	168947774	SXLBICYVGSIJNC-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C(CC)CSc1ccncc1	379312295	YHSVNFLKDXWYRH-UHFFFAOYSA-N	179.288	3.140	30	20	AGED	
CC(C)CS[C@H](C)CCC#N	591124375	RNEINEPVHICDHZ-SECBINFHSA-N	171.309	3.068	30	20	AGED	
Cc1cc(F)ccc1NN=CC(C)C	755802238	ROYSDVDEJZARMC-UHFFFAOYSA-N	194.253	3.188	30	20	AGED	
C=C(C)CON=C1CCC[C@@H]1C(C)C	844618857	LAPSTYDBXGLCPU-LLVKDONJSA-N	195.306	3.391	30	20	AGED	
C=CCCCNc1cccc(F)c1	70591374	JTRDMRKHSFPBNK-UHFFFAOYSA-N	179.238	3.204	30	20	AGED	
C=CCN(C)[C@H](C)C1CCCCC1	220682322	VBJIWABZKRCHHL-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
CC(C)C[C@@]1(C=O)CCC[C@H](C)C1	306354231	QQXPKBWRZWXHHH-RYUDHWBXSA-N	182.307	3.428	30	20	AGED	
C#CCCNc1c(C)cc(C)cc1C	306525234	POXPARZFDLOAEI-UHFFFAOYSA-N	187.286	3.047	30	20	AGED	
C=CCC(C)(C)CN[C@@H](C)C(C)C	310587842	WUNXGQQWMZUTEJ-NSHDSACASA-N	183.339	3.223	30	20	AGED	
C=CCC[C@H](NC/C=C/CC)C1CC1	651412672	NXCLJYACTGLGOK-IYNGYCSASA-N	193.334	3.287	30	20	AGED	
C=C(C)CN(C)C[C@H]1CCCC[C@@H]1C	680335218	SHCAPJKULOEYKM-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
C#CCN(CCCC)C1CCCCC1	744739317	UQURIWIBXQMQOZ-UHFFFAOYSA-N	193.334	3.054	30	20	AGED	
C[C@@H]1CCCCN1N=CC1CCCC1	853380811	SXTCPWBVSLHEFT-LLVKDONJSA-N	194.322	3.037	30	20	AGED	
CCCCC[C@@H](C)NCCCCC#N	42222543	JZEXBBIWWOVALU-GFCCVEGCSA-N	196.338	3.239	30	20	AGED	
CC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1	70586432	OQSWCVRBDZMAJQ-VIWJMXCOSA-N	190.242	3.005	30	20	AGED	
C=CCCCCCSC	115041144	QFQMMMGHPMUVBF-UHFFFAOYSA-N	144.283	3.096	30	20	AGED	
C=CCCN[C@H]1CCCC[C@@H]1C(C)C	126077569	UFVGEWNFIBQKQD-OLZOCXBDSA-N	195.350	3.367	30	20	AGED	
CCCC1CCC(C=NOC)CC1	308247153	XDNFLFSJIVMJBE-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CCCCOC(=O)[C@H](C)[C@H](C)CC	780243465	QSCQEXHABCMEFK-GHMZBOCLSA-N	198.306	3.178	30	20	AGED	
C=CCCC(=NN[C@@H](C)CC)C1CC1	790181897	AIQJFCJIBHISIF-JTQLQIEISA-N	194.322	3.107	30	20	AGED	
C=CCON=C1CCC(CC)CC1	835012533	UQJJCCADYJZYLO-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C[Si](C)(C)CC1(C=O)CCCCC1	196434871	WNWPOKFXESQNHX-UHFFFAOYSA-N	198.382	3.474	30	20	AGED	
C=C[C@H](C)NC[C@H]1C(C)=CCC[C@@H]1C	389264730	HYESSMUPCMDGEQ-AVGNSLFASA-N	193.334	3.143	30	20	AGED	
C=CCCCCOC(=O)[C@H](C)C(C)C	811012048	VOJLBIJHQOMVRQ-LLVKDONJSA-N	198.306	3.178	30	20	AGED	
CCCCCCCCN(CC)CC#N	103009659	WSPHNZWICWJVJR-UHFFFAOYSA-N	196.338	3.192	30	20	AGED	
C#CCCNc1cccc(C(F)F)c1	307086210	YIOSQOWUJQEASV-UHFFFAOYSA-N	195.212	3.059	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC[C@H](C)C1	308298730	KZMZSFSNVKOVAI-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C#C[C@H](CC)N[C@@H](CCC)CCC=C	389291910	ZSSLJHPLVPNHKR-OLZOCXBDSA-N	193.334	3.123	30	20	AGED	
CCCON=C1CCC[C@H](CC)C1	842556181	IGOOUVZAUYTJDV-JTQLQIEISA-N	183.295	3.369	30	20	AGED	
SCC1CCCCCCC1	113593587	KUNPJNZROAIDQN-UHFFFAOYSA-N	158.310	3.277	30	20	AGED	
C=C(C)CCNCc1cccc(C)c1	168961916	JIEWJKIPQJFKTB-UHFFFAOYSA-N	189.302	3.051	30	20	AGED	
C=CCCSCc1scnc1C	307937274	QSEDGMYWYUPEEQ-UHFFFAOYSA-N	199.344	3.261	30	20	AGED	
CC#CCCSCCC(F)(F)F	307962013	MMRVKMMENDJXJJ-UHFFFAOYSA-N	196.237	3.085	30	20	AGED	
C=CCC[C@H](C)NC1CC2(CCC2)C1	652052084	ZZLUIYQWSJIZES-NSHDSACASA-N	193.334	3.263	30	20	AGED	
C=CCCCOC(=O)C1CCCCC1	735524102	YFYINGSXDQFUMR-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@H]1C(C)C	790187787	HJFSVIALHNIWOS-QWRGUYRKSA-N	196.338	3.187	30	20	AGED	
CC1=CC(=NN[C@H](C)C(C)(C)C)CC1	793112087	OXGRAFBZHNNQPP-SNVBAGLBSA-N	194.322	3.107	30	20	AGED	
C=C(C)CNc1ccc(C)c(F)c1	49136639	UALLOGONLJZEGR-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
N#Cc1cccc2ccc(Cl)cc12	238536643	PSUSJPAEWLGIKT-UHFFFAOYSA-N	187.629	3.365	30	20	AGED	
C=C(C)CSCC=C(C)C	306589418	UJJAMAHWLLMYNK-UHFFFAOYSA-N	156.294	3.262	30	20	AGED	
C=CCCCCCN[C@H](CC)CC#N	594006531	FCPZDSQKRCSVPW-GFCCVEGCSA-N	194.322	3.015	30	20	AGED	
C=CCCCCCN(C)[C@H](C)C1CC1	682075709	ZFCBOMRSYJJMHB-GFCCVEGCSA-N	195.350	3.463	30	20	AGED	
CC(C)ON=C1CC[C@@H](C)[C@@H](C)C1	835003685	YBLKBUWQLZYBMG-ZJUUUORDSA-N	183.295	3.224	30	20	AGED	
CC(C)=NNc1ccccc1Cl	34407137	ZEOWPRPZSPLYBT-UHFFFAOYSA-N	182.654	3.148	30	20	AGED	
O=CC1(CCF)CCCCCCC1	306198503	QBDFCRPMFDYZRI-UHFFFAOYSA-N	186.270	3.276	30	20	AGED	
C#CCNc1c(C)cc(Cl)cc1C	306308347	HHJINJQUPWEELG-UHFFFAOYSA-N	193.677	3.002	30	20	AGED	
CC1(C[C@@]2(C=O)CCCS2)CCC1	307368115	PODRWVZPNSXGGZ-LLVKDONJSA-N	198.331	3.031	30	20	AGED	
C=C(CC)CN(CC)[C@@H](C)C(C)C	308214799	IMKOEVZTQPTEOJ-LBPRGKRZSA-N	183.339	3.319	30	20	AGED	
C#CCCN1CC[C@@H](C)c2ccccc21	389378822	BUBSFSVMKWRKHK-GFCCVEGCSA-N	199.297	3.024	30	20	AGED	
C=C[C@H](C)ON=C(C)CCCCC#N	844620765	PDAGKUOSALDYHG-NSHDSACASA-N	194.278	3.037	30	20	AGED	
CCCCCCCSc1ncc[nH]1	238226609	XRPFZKAEMOJBLW-UHFFFAOYSA-N	198.335	3.472	30	20	AGED	
CC(C)[C@@H](C)C1(C=O)CCCCC1	307446239	WMDRRHRMGURCHM-LLVKDONJSA-N	182.307	3.428	30	20	AGED	
C=C(CC)CN(CC)C[C@@H](C)CC	308300417	LQANVTMGRBWJAY-LBPRGKRZSA-N	183.339	3.321	30	20	AGED	
C/C(=C/Cl)CSCCCC#N	379262394	NVYIBCOFDFQIKO-VURMDHGXSA-N	189.711	3.166	30	20	AGED	
C=CCC[C@H](NC/C=C\CC)C1CC1	651412674	NXCLJYACTGLGOK-VGVVRCBHSA-N	193.334	3.287	30	20	AGED	
CC[C@@H]1CCC1=NNCCC(C)(C)C	807982435	AIULUPRUKMAJOX-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C1CC2(C1)CCC2=NOCCC1CC1	814246190	VICGLTIFVPLOGS-UHFFFAOYSA-N	193.290	3.123	30	20	AGED	
C=CCON=C1CCCC12CCCC2	835016424	ZFFDFAOWMBACAA-UHFFFAOYSA-N	193.290	3.289	30	20	AGED	
C=C(C)CCN[C@@H](C)c1cccs1	168060084	QZAXIKVBBJWQTN-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C[C@@H]1CCC[C@@](C=O)(C2CCC2)C1	306469111	OSQOGZFUGYFCLS-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C[C@H](CCC#N)SC1CCCC1	591124365	MYMIOKLQBGYVGE-SECBINFHSA-N	183.320	3.354	30	20	AGED	
Cc1ccc(C=NOC(C)(C)C)cc1	1253789717	UZXNYCLXSJZUNE-UHFFFAOYSA-N	191.274	3.144	30	20	AGED	
C=CC[C@H](C)NCc1ccccc1C	124265251	GXPLWUBKRAPOBZ-LBPRGKRZSA-N	189.302	3.049	30	20	AGED	
C=CCCC[C@H](C)N[C@@H](C)C(C)C	381970762	BRLTXAMDFKQCDR-RYUDHWBXSA-N	183.339	3.365	30	20	AGED	
C=CCN1CC[C@H](C)[C@@H]2CCCC[C@@H]21	613416431	UTAMAFFRKANMGV-AVGNSLFASA-N	193.334	3.073	30	20	AGED	
C=CCCCCOC(=O)C(CC)CC	811011392	VPKISQCLAKKYJN-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=CCON=C(CC)CCCC	835015942	POBRWYLIMMYVJU-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
C=C(CC)CNc1c(F)cccc1F	85057288	ITUFUSJSAWIHGF-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=CCCCCN[C@@H](C)[C@@H](C)CC	308164554	YSTSZSVSTGKRBP-RYUDHWBXSA-N	183.339	3.367	30	20	AGED	
CC[C@H](C)CON=C1CCC[C@@H]1C	308310973	RHLDODDSEFOFCG-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
CCCCC(CC)=NNCC(C)C	388754547	CLKVECFFAGFGEU-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
C=CCC[C@H](CC)NCC(=C)CC	648840289	SXZJZCTVISECGU-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C=CCON=C1CCCCC[C@H]1C	844602279	YNQYOYPHXSDVNP-SNVBAGLBSA-N	181.279	3.145	30	20	AGED	
CCCC(CCC)NCCCCC#N	165292089	HREQNCQAZUNOAQ-UHFFFAOYSA-N	196.338	3.239	30	20	AGED	
CCCCNc1cccc(C#N)c1C	307149398	RPWHQTJGKCMOBA-UHFFFAOYSA-N	188.274	3.079	30	20	AGED	
C=C(C)CCN1CCC[C@@H]1C(C)C	308147029	MFBFRWOULRTVSZ-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)CC1CC1	308318061	WWBWUDRQGUMYKF-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)C1CCCC1	395407215	WBJRBFPYDZFWAF-NSHDSACASA-N	195.350	3.367	30	20	AGED	
CCC(CC)S[C@@H](C#N)C1CC1	601076558	OIIUXIHUZINSON-JTQLQIEISA-N	183.320	3.210	30	20	AGED	
C=C(C)CN1[C@H](C)C[C@H]2CCCC[C@H]21	605421714	WIOXXLISLVOWST-JHJVBQTASA-N	193.334	3.216	30	20	AGED	
CC[C@H](C)NN=C1CCCCCCC1	790191287	YICUWKBGEQWIRS-NSHDSACASA-N	196.338	3.475	30	20	AGED	
CC(C)ON=CC(C(C)C)C(C)C	835000061	INSVZDFWGHJPDO-UHFFFAOYSA-N	185.311	3.325	30	20	AGED	
C=C[C@@H](O)c1ccc2ccccc2c1	27651327	LORCFVPTNMHNOU-CYBMUJFWSA-N	184.238	3.059	30	20	AGED	
CC#CCCSCC=C(C)C	307644803	VOCGIRLAHDNUFC-UHFFFAOYSA-N	168.305	3.099	30	20	AGED	
C[C@@H](S)c1c(F)cccc1Cl	307689532	NKXQOWUEJDCWTF-RXMQYKEDSA-N	190.670	3.470	30	20	AGED	
CC(CCC(C)C)=NOCC(F)F	388790130	LTZLIWJHHUWIJZ-UHFFFAOYSA-N	193.237	3.080	30	20	AGED	
CC(C)CNN=C1CCCCCCC1	916365837	LCRYYAKVLPWBEE-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
C#CCCOc1cccc2ccccc12	5112366	JIYJMYWCVLPDGS-UHFFFAOYSA-N	196.249	3.242	30	20	AGED	
C=C(CC)CNc1ccc(F)cc1	85057118	URAJOJUMZOJJHV-UHFFFAOYSA-N	179.238	3.204	30	20	AGED	
CC(C)C1CCC(CS)CC1	306419698	XSCOJEKOHTUIFO-UHFFFAOYSA-N	172.337	3.379	30	20	AGED	
C=CC[C@@H]1CC[C@@H](N[C@H]2CC2(C)C)C1	651685253	OQGAQSZTMCRRQO-UTUOFQBUSA-N	193.334	3.119	30	20	AGED	
CC(CC1CC1)=NNc1ccccc1	756815220	ILLBFNSSDKYYAD-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
C=C[C@@H](C)ON=C(C)CCCC	844623434	NIOIRLLFKWMWMX-SNVBAGLBSA-N	169.268	3.144	30	20	AGED	
C=CCCCCC[C@H](C)NCCF	308250172	HCEASZKTLHFIMS-NSHDSACASA-N	187.302	3.071	30	20	AGED	
C=CCCC[C@@H](C)N[C@H](C)C1CC1	308278044	VYNQUCFVZRECSY-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
CC(C)CON=C1CCCC1(C)C	393716742	VABFZWYIMDFKJA-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CCCCN(CC=C)C(C)(C)C	661756410	NPVDSZHRXNFARG-UHFFFAOYSA-N	181.323	3.239	30	20	AGED	
C=CCCOC(=O)CCCC(C)(C)C	729074202	IKOJFKJPPANFEN-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=CCC[C@@H](NC/C=C\Cl)C1CC1	903443358	GRWZWMDQYXXNEY-LAUIRUGDSA-N	199.725	3.073	30	20	AGED	
C=C(CC)CN[C@@H]1CCCC[C@@H]1C	85057132	AQNBHJDSGTZOKG-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](C)NCc1ccc(C)s1	124251623	RJZCBPWGRCJAKF-SECBINFHSA-N	195.331	3.111	30	20	AGED	
C#CCCCN(CCCC)CCCC	161078223	YWNCZDCMLHQREZ-UHFFFAOYSA-N	195.350	3.302	30	20	AGED	
CC(C)(C)C#Cc1cccs1	196068115	RVJRJKRENQGDSC-UHFFFAOYSA-N	164.273	3.146	30	20	AGED	
C[Si](C)(C)CC1(C=O)CCCC1	196935613	ARVBGQJMAGWCCA-UHFFFAOYSA-N	184.355	3.084	30	20	AGED	
CC[C@@H]1CCC[C@@H](CS)C1	307280920	GGXRNBIPWUBOQY-RKDXNWHRSA-N	158.310	3.133	30	20	AGED	
C=C(C)CCN1CCC[C@H]2CCC[C@H]21	681403460	KEYHVFHRBMDSEJ-CHWSQXEVSA-N	193.334	3.217	30	20	AGED	
C=CCCN(CC1CCC1)C(C)C	393721830	YTUQFDQSGYEJKB-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCCCCSCCCF	591386291	LNJOFWUUVWPLKD-UHFFFAOYSA-N	176.300	3.436	30	20	AGED	
C=CCCC[C@@H](O)c1ccc(C)cc1	70593649	CGOZUFAINHFSID-CYBMUJFWSA-N	190.286	3.385	30	20	AGED	
C=CC[C@@H](C)N[C@H](C1CCC1)C1CC1	651263647	UNFTZWXGRSYKGH-ZWNOBZJWSA-N	193.334	3.119	30	20	AGED	
Cc1ccccc1C=NOC(C)(C)C	1336228606	OBAGHAAQURWZJL-UHFFFAOYSA-N	191.274	3.144	30	20	AGED	
C=CCC[C@H](CCC)NC1CCC1	308145822	ACUZZPSKCLWYOH-NSHDSACASA-N	181.323	3.263	30	20	AGED	
CC[C@H](C)CON=Cc1cccs1	308305325	OBRHBUDCBDLYBC-VIFPVBQESA-N	197.303	3.145	30	20	AGED	
CC[C@@H](C)NN=C(C)CCC=C(C)C	790190442	VPHDLVXPESNSTF-LLVKDONJSA-N	196.338	3.497	30	20	AGED	
CCCCCCCOC(=O)[C@H]1C[C@H]1C	918493426	SYHHFYBDBOYQGU-MNOVXSKESA-N	198.306	3.156	30	20	AGED	
C=C(CC)CN[C@@H](C)c1cccs1	85057468	HATRENIJEXUTLX-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C=C(C)CSCCC(C)C	306689111	KGAXVPIUOLANHZ-UHFFFAOYSA-N	158.310	3.342	30	20	AGED	
C=CC[C@H](CC)N[C@H](CC)C1CC1	388846478	ZONCJMBFGJFCKA-NWDGAFQWSA-N	181.323	3.119	30	20	AGED	
C[C@H]1CCCC1=NN[C@H](C)C(C)(C)C	793110942	DAISVDAQLVSYGE-VHSXEESVSA-N	196.338	3.187	30	20	AGED	
C[C@H]1CCC(=NOCC2CC2)[C@H](C)C1	814243709	KKOBVBGLMSEIIP-VHSXEESVSA-N	195.306	3.225	30	20	AGED	
C[C@@H]1CCCCC1=NOCCC1CC1	814247279	ZDCPHWXBWJUAOH-SNVBAGLBSA-N	195.306	3.369	30	20	AGED	
C=C(Cl)CN(C)c1ccccc1C	1647838909	YUXSTONMONAUSQ-UHFFFAOYSA-N	195.693	3.184	30	20	AGED	
C=CCCN[C@H]1CCCCC1(C)C	86875098	CQJJCIJHIYKBDB-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN[C@H]1CCC[C@@H]1CC	388601623	RYUVKQNZCSOYCM-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=C1CCN(C[C@@H](C)CC(C)C)CC1	685001089	JKYWMZJWOSMQJQ-ZDUSSCGKSA-N	195.350	3.321	30	20	AGED	
CCC(C=NN[C@H](C)C(C)(C)C)CC	793115280	QMGNUEIFSINAKS-SNVBAGLBSA-N	198.354	3.433	30	20	AGED	
C=C(C)CN[C@@H](C)c1ccc(C)cc1	51753531	OCOVGQYORXAVIK-LBPRGKRZSA-N	189.302	3.222	30	20	AGED	
C=CCON=C1CCCCCCC1	196434523	PNBAYFKKHSDBGC-UHFFFAOYSA-N	181.279	3.289	30	20	AGED	
CC1(C)CCC(C#N)(CCF)CC1	306210775	CGLZPPCVJMIHNI-UHFFFAOYSA-N	183.270	3.456	30	20	AGED	
CC(C)CSCC1(C#N)CCCC1	405138474	SCLCFPDAUXFLNT-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=CCCCCCN(CC=C)CC=C	683779815	UVPHVHWCNVQXFH-UHFFFAOYSA-N	193.334	3.407	30	20	AGED	
C[C@H](N(C)CCCCC#N)C(C)(C)C	42764046	PVLVPNQYWWYMNR-NSHDSACASA-N	196.338	3.047	30	20	AGED	
C=CCC[C@@H](C)NCCCCC	126713029	JTLYEIMBLFOKCN-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
C[C@H](S)CCC(C)(C)C	306243243	NSWKJQSPSFYFKZ-ZETCQYMHSA-N	146.299	3.131	30	20	AGED	
CC(C)CCSCC1(C#N)CCC1	591381070	QOCHGLWWYXFCBN-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=CCCCCOC(=O)CC1CCC1	811014091	PYUIZPSUQUMLBP-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CC[C@H](N)c1cc(F)ccc1Cl	95682965	RSXIOALPSYUFAD-JTQLQIEISA-N	199.656	3.055	30	20	AGED	
C[C@H]1CCCC[C@@]1(C=O)CC1CC1	306471987	SLAQVJDZZVQMGE-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
C=CCN[C@@H]1CCCCC12CCCC2	306920529	MLHPLMLNOHBXQK-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
CC(C)CS[C@@H](C)CCC#N	591124377	RNEINEPVHICDHZ-VIFPVBQESA-N	171.309	3.068	30	20	AGED	
C=CCCN1CC(C)(C)[C@H]2CCC[C@H]21	645248464	VILGNVFWVBIWLA-NWDGAFQWSA-N	193.334	3.073	30	20	AGED	
C=CCCCN(CCC)C(C)C	653797706	WTSLVAAWRKJRCW-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=C1CCCc2cc(OC)ccc21	39213004	DWKRVZORJGAQKF-UHFFFAOYSA-N	174.243	3.045	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@H](C)[C@H]1C	251187255	BEUFXAJKBGPJSH-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
CC#CCCSc1cccc(F)c1	306292416	VFRBTFJZSGLDFE-UHFFFAOYSA-N	194.274	3.331	30	20	AGED	
C[C@@H]1CCC[C@](C=O)(C2CCC2)C1	306469108	OSQOGZFUGYFCLS-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C[C@@H](CS)C1CCCCC1	306966736	LWAJXJZOAGCFSP-QMMMGPOBSA-N	158.310	3.133	30	20	AGED	
C=CCCC[C@H](C)NC[C@@H](C)CC	379357131	QMWMFCMYIOPIFC-RYUDHWBXSA-N	183.339	3.367	30	20	AGED	
CC1(C=NOC2CCCCC2)CC1	388941692	XOISPEKMULIWJX-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=C(C)CN(CC)[C@H]1CCCC[C@@H]1C	678350374	VGECNBDOESWQTB-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=C1CCN(CCCC(C)(C)C)CC1	682028458	NJNLXJPCZFIEQU-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
N#Cc1ccc(N[C@H]2CC=CCC2)cc1	80120495	LTSNVYALCMKDMA-LBPRGKRZSA-N	198.269	3.079	30	20	AGED	
C=C(Cl)CN1[C@H](C)CC[C@H]1CC	306300455	YSYOXQSBVUXSDT-NXEZZACHSA-N	187.714	3.002	30	20	AGED	
CCON=CC1CCC(C(C)C)CC1	794887262	SIQSVGIMQPQFEW-UHFFFAOYSA-N	197.322	3.471	30	20	AGED	
C=C/C=C\CCSCC=C	902324823	NDRSFDWOBGULJT-WAYWQWQTSA-N	154.278	3.038	30	20	AGED	
CC(C)(C)c1[nH]c2ccccc2c1C#N	11950528	GZMLREZSXZOPPZ-UHFFFAOYSA-N	198.269	3.337	30	20	AGED	
C1CCC(=NNC2CCCCC2)CC1	39310629	GGQRTKBUGMCMHM-UHFFFAOYSA-N	194.322	3.229	30	20	AGED	
C=CCSCC/C=C/CC	306477167	YLJIXGSMILKQJP-AATRIKPKSA-N	156.294	3.262	30	20	AGED	
CC[C@@H](CC#N)N[C@@H](C)CC(C)(C)C	385008626	WLNJCQBCHOQHHR-QWRGUYRKSA-N	196.338	3.093	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCC(C)(C)C1	385061650	UOQOTWWNXWDFDK-NSHDSACASA-N	195.350	3.367	30	20	AGED	
CCC(CC)Cn1cc(C)c(C#N)c1	596266908	YTFFSXQKHHHELK-UHFFFAOYSA-N	190.290	3.104	30	20	AGED	
CC(C)ON=C1CC[C@H](C)C[C@H]1C	835003342	SFNCUWXVCOCAQM-VHSXEESVSA-N	183.295	3.224	30	20	AGED	
C=C/C=C\CCN(CC)CC(=C)C	877936471	VHHXWJCVMJAMQA-FPLPWBNLSA-N	179.307	3.017	30	20	AGED	
C=CCCCOc1ccc(F)cc1	34224073	KHTUEJZSRYPTDC-UHFFFAOYSA-N	180.222	3.171	30	20	AGED	
C=C(C)COc1ccc(Cl)cc1	39222959	JNUJBVYAMFYTME-UHFFFAOYSA-N	182.650	3.295	30	20	AGED	
C#CCCCN1CCCC[C@H]1CCC	163563500	PTFZKEOUNVGYND-CYBMUJFWSA-N	193.334	3.054	30	20	AGED	
Cl/C=C/CON=C1CC2(CCC2)C1	306473577	URURHLWJJQKRBJ-GORDUTHDSA-N	199.681	3.076	30	20	AGED	
C=C(C)CSCCC(C)(C)C#N	307960850	KVRDNHPZTOQUNG-UHFFFAOYSA-N	183.320	3.236	30	20	AGED	
C=CCCCCN[C@@H]1CCC[C@H]1C	308126203	BBEQJVJFUSRNFO-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)[C@H]1C[C@@H]1C	321922479	RGLVZWRGFRPDTL-SDDRHHMPSA-N	195.350	3.223	30	20	AGED	
C#Cc1cc(-c2ccsc2)cs1	585144231	IJKDRXKELYFRFQ-UHFFFAOYSA-N	190.292	3.458	30	20	AGED	
CCCNN=C1CCC(C)(C)C[C@@H]1C	748251141	RJPBYIKVKKUWPR-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CC(C)C[C@@H](C)CON=CC1CC1	853736102	LMKZTGZQJGOZLD-SNVBAGLBSA-N	183.295	3.081	30	20	AGED	
CCCC1CCC(C)(C=O)CC1	307469436	TUVWVBDTNZSHGY-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
N#C[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2	307760554	WEGYYUWQZAELJZ-CKIJPRSSSA-N	195.693	3.088	30	20	AGED	
N#C[C@H](Sc1ccccc1)C1CC1	601070339	OBVWKBKDIZFWKW-NSHDSACASA-N	189.283	3.081	30	20	AGED	
C=CCC(C)(C)C(=O)OCCCCC	796463263	NWYCNLGGULAPAJ-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
CCC(C=NNCC(C)C)(CC)CC	1326241035	VFVGVMHRGJMMGC-UHFFFAOYSA-N	198.354	3.434	30	20	AGED	
CCCCCCCNC1CCCC1	101414459	BMFPDUAGXOAWNF-UHFFFAOYSA-N	183.339	3.489	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCCC[C@H]1C	161686518	ZUFNTFYRCWRPDW-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
CON=C[C@H](C)c1cccc(Cl)c1	308428728	SLDREUFFWWMVRO-QMMMGPOBSA-N	197.665	3.076	30	20	AGED	
CCCCCCCNCc1cc[nH]c1	308496316	DGGBINNMAAHXAB-UHFFFAOYSA-N	194.322	3.075	30	20	AGED	
CC(C)CCCS[C@@H](C#N)C1CC1	601081041	XKXNNLJGMIHFSB-NSHDSACASA-N	197.347	3.458	30	20	AGED	
C=CCCC(=NO[C@@H](C)C=C)C1CC1	844622090	ULIKRUSSTRCMSO-JTQLQIEISA-N	193.290	3.310	30	20	AGED	
C=C(CC)COc1ccc(F)cc1	85071474	YJPGIKROIKDWQX-UHFFFAOYSA-N	180.222	3.171	30	20	AGED	
CCON=CCC[C@@H]1C[C@H]2CC[C@H]1C2	768774456	VKXYAAMGPGHYMW-UTUOFQBUSA-N	195.306	3.225	30	20	AGED	
CCC[C@@H](C)N(C)CCC(C)(C)C#N	83640524	NNUUTOQPUVCOHK-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
C=C(C)CN[C@H]1CCC[C@@H](C(C)C)C1	230998743	NEAYADNCJQVRME-OLZOCXBDSA-N	195.350	3.367	30	20	AGED	
CC[C@@](C)(C=O)C1CCC(C)CC1	306466462	KTSPWUDXCHVSGM-MCIGGMRASA-N	182.307	3.428	30	20	AGED	
C#CCCCN[C@H](C)[C@H](C)CCCC	389302149	MJRYBRKNTLMCOB-CHWSQXEVSA-N	195.350	3.204	30	20	AGED	
C=CCCCN1CCC[C@@H]1CC(C)C	605150267	WLAZIRALGAMFMJ-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
C=CCCCCN(CC)CCC	649260106	MITNVWQPPJGOKM-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
C1=CC[C@@H](C=NOCCC2CC2)CC1	814245903	NAWOSEJALSECFH-GFCCVEGCSA-N	193.290	3.145	30	20	AGED	
CC(C)ON=C1CCCCC1(C)C	835001241	WZJREPIQNYGSOZ-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=CCON=C(CC(C)(C)C)C1CC1	835013196	LDOIJIMOZVYHMA-UHFFFAOYSA-N	195.306	3.391	30	20	AGED	
N#CC1(CSCCCC2CC2)CC1	1261848449	ASTOPOLNNDVKLX-UHFFFAOYSA-N	195.331	3.214	30	20	AGED	
C=CCCC[C@H]1CCCCC[C@@H]1O	71278087	GCGAKAUVTOGIBI-RYUDHWBXSA-N	182.307	3.284	30	20	AGED	
C=CCCNC(=O)CCCCCCC	162245105	XNRARYYPSKNMNX-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=C(C)CN(CC1CCC1)C(C)C	379382343	DXXLIJDZLSQADD-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCCCCN1CC[C@H](CC)C1	649348120	WPMJFFIUTWXSAJ-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
CC(=NOC(C)C)C1CCCCC1	835004088	LKEMPMQFDXFEOS-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
Cc1[nH]c2cccc3oc(C#N)cc1c23	1503999371	HTBYIXFCNUVQTL-UHFFFAOYSA-N	196.209	3.094	30	20	AGED	
CC(C)C1CCC(C)(C=O)CC1	141269084	DERSKOLBMUCHJB-UHFFFAOYSA-N	168.280	3.038	30	20	AGED	
CC(C)CON=C1CCC2(CC1)CC2	167629641	MIPDLVMMPHXOOU-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=CCN([C@@H]1C=CCCC1)C(C)(C)C	661756429	ONSXTZIBQXNABI-GFCCVEGCSA-N	193.334	3.382	30	20	AGED	
C=C(CC)COC(=O)C(C)(C)C(C)C	784328972	ITLVPGSFQWOLAH-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
CCCNN=C(C)[C@@H]1CCCC[C@H]1C	834940356	DQMIKPFWISJOPM-ZYHUDNBSSA-N	196.338	3.188	30	20	AGED	
CCC(=NOCCC1CC1)[C@H]1C[C@@H]1C	841640451	JYKTVQQOWQNNGN-ONGXEEELSA-N	195.306	3.225	30	20	AGED	
C=C(Cl)CN[C@@H](C)c1ccccc1	37488669	YHEYBJXULXRNIF-JTQLQIEISA-N	195.693	3.090	30	20	AGED	
C=C(C)CSCc1ccc(C)cn1	379389208	LAGQVPYBRPQFLY-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=CCCN(C)C[C@@H]1CCC[C@H](C)C1	682435052	IOBUSWTUVVSUAF-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
C=CCCCCCN(CC)CC1CC1	683782252	SCDFIJVQJDDGSK-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C[C@@H](C)ON=C1CC(C)(C)C[C@H]1C	844626465	WCZYZYLLYIZWTI-NXEZZACHSA-N	195.306	3.390	30	20	AGED	
C#CCCCN[C@H](C)CCCCCC	160885259	WBPYEQVCMRACMJ-CYBMUJFWSA-N	195.350	3.348	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@H](C)[C@H]1C	168065043	LCPFSZQJDXKPGE-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H](C)NC[C@@H](C)C(C)(C)C	388591915	AYMKSGCCGRKRKR-MNOVXSKESA-N	183.339	3.223	30	20	AGED	
C=C[C@H](C)NC[C@H]1C(C)=CCC[C@H]1C	389264727	HYESSMUPCMDGEQ-AGIUHOORSA-N	193.334	3.143	30	20	AGED	
C=CCCCn1ccc(C(C)(C)C)n1	647881514	ZPKRFCKKFOGUJO-UHFFFAOYSA-N	192.306	3.147	30	20	AGED	
C=CCCCC(=O)O[C@@H](C)CC(C)C	749028738	MCXXCSRUJQOPBP-NSHDSACASA-N	198.306	3.321	30	20	AGED	
C=C(C)CCC(=O)N[C@H](CC)CCC	1346763005	JUKKJXMYYOTRQH-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
O=CC1(C2CC2)CCCCCCC1	307156760	OJTLFTCGPUKOTR-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=C(C)CN(CC)CC1CCCC1	308474618	LMTZULNYMJHIGU-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CCON=C1CCCC[C@H]1C(C)C	379359627	ZGKYHXMXVVMORJ-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
CCC(CC)N[C@H](C)CC(C)(C)C#N	695888927	XQGURUTZDGLADT-SNVBAGLBSA-N	196.338	3.093	30	20	AGED	
C=CCCCC[C@H](C)NC1(C)CC1	1324847156	BQCOMEQKPYYQMU-NSHDSACASA-N	181.323	3.263	30	20	AGED	
C[C@H](C=O)c1cccc2ccccc12	34241221	BBTNFBSDEIGSIG-SNVBAGLBSA-N	184.238	3.142	30	20	AGED	
CCCCCCCN(C)[C@H](C)CC#N	109133962	YCYSZJFCWVULFB-GFCCVEGCSA-N	196.338	3.191	30	20	AGED	
C=CCNc1ccc(Cl)cc1C	38282465	MNYNYKZGFFYDIE-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
C=C(C)CNc1ccc(C)cc1C	41578736	UZCAHURSIXJAGT-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C=C[C@@H](C)Nc1ncc(C(C)C)s1	306633233	QRVVLMVMXQQUOL-MRVPVSSYSA-N	196.319	3.253	30	20	AGED	
C=C(C)CCOC(=O)CC1CCCC1	744303283	UUZVHYVNNPUDCO-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(CC)COC(=O)C=C(CC)CC	773529776	KNEVFGUWJJCJGO-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
C=C[C@@H](C)C1(C=O)CCCCCC1	307399864	ASMCPWIMVPFHMC-LLVKDONJSA-N	180.291	3.348	30	20	AGED	
CC#CCSCC/C=C/CC	379307504	WEQPRFGBTKUMRN-FNORWQNLSA-N	168.305	3.099	30	20	AGED	
C=CC[C@H](C)C(C)=NOC(C)(C)C	379405526	UFQVTDKOEDEHMJ-VIFPVBQESA-N	183.295	3.390	30	20	AGED	
CC(C)CNN=C1CCCC(C)(C)C1	771568022	VIHJQXSFNVGKDF-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=C(C)CCOC(=O)[C@@H](C)CCCC	800394938	MSLSFQCTXMPFNU-NSHDSACASA-N	198.306	3.322	30	20	AGED	
CCCCCC=NOC(C)(C)C	307950022	NGMOYEVDUDWVND-UHFFFAOYSA-N	171.284	3.368	30	20	AGED	
CC(CCC1CC1)=NOC1CCC1	308147983	MTQCODRILPKXEM-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
CON=C/C=C(/C)CCC=C(C)C	379405061	SKTBLMLVYQJMNW-WYEQFNIFSA-N	181.279	3.311	30	20	AGED	
C=CCCCCOC(=O)CCCC	32214153	VREUDQLCZTZWQX-UHFFFAOYSA-N	184.279	3.076	30	20	AGED	
C=CCCNc1c(C)cccc1C	70592250	PSHASXXVPBZGJT-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C=CCOc1cc(C)nc2ccccc12	196304199	PBIGMIPIEQUIEE-UHFFFAOYSA-N	199.253	3.108	30	20	AGED	
CCCC1(C=O)CCC(C)CC1	307190294	XEPGNPMPMNCIKG-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
C=CCCCCCN(C)CCCF	379420021	ZOHWKCAIXUITFA-UHFFFAOYSA-N	187.302	3.024	30	20	AGED	
CCCON=C1CCC[C@@H](C)[C@@H]1C	842555674	ZPAJETMYWUSZDO-ZJUUUORDSA-N	183.295	3.225	30	20	AGED	
C#CCCSc1ccccc1Cl	82496826	PCPCXGTYKMZLPY-UHFFFAOYSA-N	196.702	3.455	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1cccc(F)c1	136204043	AMLGSVKKIANWBC-ZJUUUORDSA-N	193.265	3.051	30	20	AGED	
c1ccc(CON=C2CCCC2)cc1	141463598	KTTLSFYNUJINMI-UHFFFAOYSA-N	189.258	3.133	30	20	AGED	
C=CC[C@@H]1N(CC)CCCC1(C)C	306578024	VTDFXYLAPQVNLY-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=CCC[C@@H](CC)N[C@@H](C)CC	307989783	SNXKACASFDBLRS-WDEREUQCSA-N	169.312	3.119	30	20	AGED	
C=CCCCN1CCC[C@@H](C2CC2)C1	677028477	LNKCBVLFNIYGAR-CYBMUJFWSA-N	193.334	3.075	30	20	AGED	
Cc1ccc(NN=C[C@@H]2C[C@H]2C)cc1	758360609	XWCQOSQZIRPAKB-MNOVXSKESA-N	188.274	3.049	30	20	AGED	
CCCCCCN(CC)C[C@@H](C)C#N	44413307	IVRFJYZQHGXCHA-LBPRGKRZSA-N	196.338	3.048	30	20	AGED	
C=CCCCS[C@@H](C)CCOC	381842332	LTJFPQYSGMNWKX-JTQLQIEISA-N	188.336	3.111	30	20	AGED	
C=C(C)CN1c2ccccc2C[C@H]1C	680881626	WPOKYOURUSPGDE-LLVKDONJSA-N	187.286	3.014	30	20	AGED	
C=C(C)COC(=O)/C=C(/C)C(C)(C)C	744040225	JUANPKTZBJDJNH-YFHOEESVSA-N	196.290	3.098	30	20	AGED	
C=C/C=C\CCSCCOCC=C	902396402	KSTZLYYABNKKOE-WAYWQWQTSA-N	198.331	3.055	30	20	AGED	
CC1(C)CCC1=NOC1CCCC1	308314953	UTUMUDZQYSSIIV-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
CCC[C@H](C)N[C@H](C)CC(C)(C)C#N	695887558	RFMUKSFBLWFVDJ-WDEREUQCSA-N	196.338	3.093	30	20	AGED	
CC(C)ON=CCC1CCCCC1	835003276	XMJKMFNKWGSOHV-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C#CCCCCCCN[C@@H](C)CC=C	877036562	QTCSFKGSWWZNCT-ZDUSSCGKSA-N	193.334	3.124	30	20	AGED	
C=CCN(C)c1cc(Cl)ccc1C	307252662	SSMYGCOKICQSJM-UHFFFAOYSA-N	195.693	3.271	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@H]1CC	379397505	OJCVFCQMSJWZJD-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](CC)N[C@@H]1CC=C(C)CC1	379668666	ZXZJICXWNHHDPC-CHWSQXEVSA-N	193.334	3.430	30	20	AGED	
C=CCCSc1ccc(C#N)cc1	388608251	WRWAEECFDLTDDT-UHFFFAOYSA-N	189.283	3.226	30	20	AGED	
C=CCC[C@H](N[C@H]1C=CCC1)C1CC1	850511134	ZSGLLWCUZZMQEN-STQMWFEESA-N	191.318	3.039	30	20	AGED	
F[C@@H]1CCCC1=NOC1CCCCC1	872365997	MPYOZRGFUZYTJY-SNVBAGLBSA-N	199.269	3.214	30	20	AGED	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2S	20476506	MDCBFUJJCQRQPI-VXNVDRBHSA-N	194.299	3.179	30	20	AGED	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2S	20476507	MDCBFUJJCQRQPI-IONNQARKSA-N	194.299	3.179	30	20	AGED	
C=CCN[C@@H](CC)C1CCCCC1	52338670	FPOOQINRWSYEIT-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN1CCC[C@H](CC)CC1	307285894	PQVJKBMSHYROOJ-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CC[C@@H](CC)N[C@H]1CCC12CCC2	308728870	ICJOIANTNQEWTI-NEPJUHHUSA-N	193.334	3.263	30	20	AGED	
C=CCCN1[C@H]2CCCC[C@H]2C[C@H]1C	608500444	NSFDZULSJPZION-AGIUHOORSA-N	193.334	3.216	30	20	AGED	
C=CCCN[C@@H](C)CCC=C(C)C	658116994	PUTDUJHBGPSRNT-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C[C@H](C=NNC1CCCC1)C(C)(C)C	800811719	GMHXYXCLUHLWMH-SNVBAGLBSA-N	196.338	3.187	30	20	AGED	
C[C@H]1CCCCN1N=CC1CCCC1	853380812	SXTCPWBVSLHEFT-NSHDSACASA-N	194.322	3.037	30	20	AGED	
C=CCN[C@H](CC)c1ccc(C)cc1	19875939	LGDZDQAZKNXTJM-CYBMUJFWSA-N	189.302	3.222	30	20	AGED	
CC[C@H](S)C[C@H](C)CC	20476605	PEJZBJJDCQBUDH-SFYZADRCSA-N	146.299	3.131	30	20	AGED	
C[C@H]1CCC[C@@](C=O)(C2CCC2)C1	306469106	OSQOGZFUGYFCLS-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC/C=C/C1CC1	382331660	WQTDUKVHEPEPGW-GAEWNOSXSA-N	193.334	3.143	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCC[C@H](C)C1	384933358	HUCINHBWUNYOCL-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=CCCCCN(C)[C@H](C)CC	649376370	JEKDZYSZMYHSSA-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
CCCCCCCN(C)C[C@@H](C)C#N	88239560	SNJKIWVIXGYRPP-LBPRGKRZSA-N	196.338	3.048	30	20	AGED	
C=C(C)CCN[C@@H]1CC[C@@H](C)C[C@@H]1C	228801761	PBGIYEBNYLXKRB-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
CCC[C@@H]1CCC[C@@]2(CC1)O[C@@H]2C#N	306227125	WFYPMKHHNUXFIJ-UTUOFQBUSA-N	193.290	3.028	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCC=C(C)C	308152771	PGUVEROYOHZRKL-NWDGAFQWSA-N	181.323	3.143	30	20	AGED	
C=CCN[C@](C)(CC)c1ccccc1	379548651	ZCDYJMZYBYXPPG-CYBMUJFWSA-N	189.302	3.087	30	20	AGED	
C=CCCCN1C[C@H]2CCC[C@@H](C2)C1	671707085	JLRJTPMWSRCSEQ-STQMWFEESA-N	193.334	3.075	30	20	AGED	
CC[C@@H](C)CON=C1CC[C@H]1C1CC1	814938869	XEBFKLUNIXTKRQ-KOLCDFICSA-N	195.306	3.225	30	20	AGED	
C#CCCCN[C@H](C)CCCCC=C	823949214	DETYISUOXHXZOR-CYBMUJFWSA-N	193.334	3.124	30	20	AGED	
C=C[C@@H](C)NCc1ccccc1Cl	130455679	KWASFDFYADLBKP-SECBINFHSA-N	195.693	3.004	30	20	AGED	
C=CCN(C)CCCCCCCC	137251401	WQNBKDIHRWNOKE-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
C=CCN1CCC[C@H](C)[C@@H]1CCC	308247699	YAXAJRGIENRWGD-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCCCCCN1CC[C@H](C)C1	308273725	UCZQHLXQSWDLRD-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CCCC(CC)=NN[C@@H](C)CC	308408651	KSWHEEKPUQNPLG-JTQLQIEISA-N	182.311	3.107	30	20	AGED	
C=CC[C@@H](CC)NC[C@H]1CC=CCC1	308574157	CWGPEQVPMJWMLA-QWHCGFSZSA-N	193.334	3.287	30	20	AGED	
C[C@H]1CC[C@H](C=NOC(C)(C)C)C1	379395438	ZLXRJQVFZNMTBP-UWVGGRQHSA-N	183.295	3.224	30	20	AGED	
C=CCCCNCc1ccsc1C	393541143	ZDQLJSTXTKGYSH-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
CC(CC1CC1)=NNC1CCCCC1	786039897	IRDSCQOESKYQGK-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C=C1CC(c2noc([C@H](C)CC)n2)C1	896885415	XWHQLZBAMHDAFT-MRVPVSSYSA-N	192.262	3.017	30	20	AGED	
C=CCCCOc1cccc(OC)c1	113208106	QNUYWRJVTVJQDA-UHFFFAOYSA-N	192.258	3.040	30	20	AGED	
C=C(C)CCN[C@H](C)c1cccs1	168060184	QZAXIKVBBJWQTN-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
CCC(CC)(CC)[C@H]1C[C@H]1C=O	521400405	KYOFMXJVJGAKPA-UWVGGRQHSA-N	168.280	3.038	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NC[C@@H]1C[C@H]1CC	648731993	IMRHPKYJLSFZTF-LPWJVIDDSA-N	195.350	3.223	30	20	AGED	
C=CCCCN1CCC2(CCC2)CC1	671728184	RYEZYBUPQCOZLT-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C=C(C)CCN(C)[C@@H](C)c1ccco1	681401157	UDMSLLUKGBFAIC-NSHDSACASA-N	193.290	3.239	30	20	AGED	
CC(C)CON=C[C@H]1CCC[C@H](C)C1	768368409	XYZIRKDGGBLWQX-RYUDHWBXSA-N	197.322	3.471	30	20	AGED	
C=CCCN[C@H](CC)c1cccs1	70592018	PVZBJJUYXKJNRB-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
CCCCCCCNC(=O)[C@@H](C)CC	104596944	BUFJTNNYTGMFFM-NSHDSACASA-N	199.338	3.119	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1ccc(F)cc1	157279311	CBDJXAAOVXMKFH-UWVGGRQHSA-N	193.265	3.051	30	20	AGED	
C=CC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C	169134563	JOGZZBKXKDQBHL-QNWHQSFQSA-N	195.350	3.365	30	20	AGED	
C=CCCSCCCCF	307064473	QDTMLSWQIQDEQV-UHFFFAOYSA-N	162.273	3.045	30	20	AGED	
CCCC(CC)=NOC1CCC1	308026453	ZOIANIPEKPTENK-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
CCC[C@@H](CC)S[C@H](C)C#N	379243901	ZBVMVRMNVHQNCG-RKDXNWHRSA-N	171.309	3.210	30	20	AGED	
C=CCCN1CCCC[C@@H]1CC(C)C	675127426	OBYHXKGJDLXTIJ-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
C=CCN(C)C1CCC(CCC)CC1	683048668	JHOLGSJPSSADQT-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
CC(C)CON=C[C@@H]1CCCC[C@@H]1C	783857131	TVQRAGDJHKYZKO-RYUDHWBXSA-N	197.322	3.471	30	20	AGED	
C=C[C@H](C)NCc1ccccc1Cl	130455491	KWASFDFYADLBKP-VIFPVBQESA-N	195.693	3.004	30	20	AGED	
C=C(C)CCN[C@@H]1CC[C@@H](C)C[C@H]1C	168065742	PBGIYEBNYLXKRB-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
C=C(C)CNC[C@H]1CCC[C@@H](CC)C1	379593264	BLKMNMJFZMVFJE-OLZOCXBDSA-N	195.350	3.369	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC/C=C\C1CC1	382331663	WQTDUKVHEPEPGW-ZADDAZQUSA-N	193.334	3.143	30	20	AGED	
CC[C@H](CC#N)N[C@H](C)CC(C)(C)C	385008618	WLNJCQBCHOQHHR-GHMZBOCLSA-N	196.338	3.093	30	20	AGED	
C=CC[C@@H](C)N[C@@H]1CC=C(C)CC1	646140433	VZWJWKOECCKCBT-VXGBXAGGSA-N	179.307	3.039	30	20	AGED	
C/C=C(\C)C(=O)NCCCCCCC	862358658	PWUGVHZPLSUWEI-VZUCSPMQSA-N	197.322	3.039	30	20	AGED	
CCCCCCSCCC#N	35940046	WKVJBTZEDPXKRM-UHFFFAOYSA-N	171.309	3.214	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCCC(C)(C)C1	157432798	SGZTZQGZSWLBAW-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
CC[C@@H](S)c1cccc(F)c1	164099556	RWFQJXDSWDYOGN-SECBINFHSA-N	170.252	3.207	30	20	AGED	
C=CCCC[C@H](C)N[C@@H](C)CC	379336675	RWKIWERJDQPDEJ-QWRGUYRKSA-N	169.312	3.119	30	20	AGED	
C=CCC[C@@H](N[C@H](C)C1CC1)C1CC1	379620266	DLBFIAHSXDJPOZ-ZWNOBZJWSA-N	193.334	3.119	30	20	AGED	
C=CCC[C@H](C)N[C@@H](CC)CC=C	388845047	ZEZROTZLQLKEDV-RYUDHWBXSA-N	181.323	3.285	30	20	AGED	
C=CCC[C@H](C)NCCC(C)(C)F	658190936	IPNIVMLLOVJWLP-JTQLQIEISA-N	187.302	3.069	30	20	AGED	
C(=NNC1CCCC1)C1CCCCC1	727652066	IEGUNAPBZHZUBP-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CCC(=NNC(CC)CC)[C@@H]1C[C@@H]1C	841625724	JVWAZFAPORNURU-GXSJLCMTSA-N	196.338	3.187	30	20	AGED	
C[C@@H]1CCCC[C@H]1CON=CC1CC1	853736070	KPICGSSHPVMVIN-PWSUYJOCSA-N	195.306	3.225	30	20	AGED	
C=C(C)CCN[C@H]1CCCC[C@@H]1C	168059767	FJQFRYBSTNKVPJ-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C[C@@H](C#N)SCC1CCCCC1	306448091	VOTSKPDQRYGTIM-VIFPVBQESA-N	183.320	3.212	30	20	AGED	
C=C(C)CCN(C)c1cccc(C)c1	681402137	UQZNIHOXMGTRKH-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
CC(C)CNN=C[C@@H]1CCC[C@H](C)C1	771568162	WZNUTIDDWVFGEF-NWDGAFQWSA-N	196.338	3.044	30	20	AGED	
C1=CC[C@H](C=NOCCC2CC2)CC1	814245904	NAWOSEJALSECFH-LBPRGKRZSA-N	193.290	3.145	30	20	AGED	
C=C(C)CNc1ccc(CC)cc1	41572080	NBBSNIPEWTUIMX-UHFFFAOYSA-N	175.275	3.237	30	20	AGED	
C=CCSC(CC)CC	220394971	IVYCZUXXUQPWPP-UHFFFAOYSA-N	144.283	3.094	30	20	AGED	
C=CCCCCCn1cnc(C)c1C	235846585	XSBSSCFNCGWCSE-UHFFFAOYSA-N	192.306	3.246	30	20	AGED	
C(=NOC1CCCC1)c1ccsc1	308272821	TUXURYXWHVDKIZ-UHFFFAOYSA-N	195.287	3.041	30	20	AGED	
C=C[C@H](C)N[C@@H](C)C1C(C)(C)C1(C)C	308650624	KETGWDPEDPKYPE-UWVGGRQHSA-N	195.350	3.221	30	20	AGED	
C=CC[C@@H](CC)N[C@@H]1CCC12CCC2	308728873	ICJOIANTNQEWTI-VXGBXAGGSA-N	193.334	3.263	30	20	AGED	
C=C(C)CCNC[C@H](C)CC(C)C	386892524	NQGZJIHUCGSTQI-GFCCVEGCSA-N	183.339	3.224	30	20	AGED	
C=C(C)CCN(CCC)CC(C)C	388275934	JBCUOYQGSXRXDF-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=C(CC)C(=O)NC(CC)(CC)CC	1521095954	MAJAVKMNSMSELI-UHFFFAOYSA-N	197.322	3.038	30	20	AGED	
C[C@@H](c1ccc(C#N)cc1)C(F)(F)F	1898227452	PGVHBYUPTZCNPY-ZETCQYMHSA-N	199.175	3.224	30	20	AGED	
C=CCC[C@H](C)NC[C@@H]1CCC[C@H]1C	300239454	ABNBOQAFVRHCSI-AGIUHOORSA-N	195.350	3.367	30	20	AGED	
S[C@H]1CCCCC12CCCC2	306436203	CNWCLUQDKSAKAE-VIFPVBQESA-N	170.321	3.419	30	20	AGED	
C[C@H]1CCC[C@]1(C=O)CC1CCC1	307394264	CSPUDNWPVVSZTD-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
C=CCN[C@@H]1CCCC[C@H]1CCC	308395067	CSZINUZJBPCVDI-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@@H](CC)NCC1(C)CC1	308456008	FZPNAWAEPPPUIP-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CCC(C)=NNc1ccc(F)cc1F	916248161	OZASEERBVRYCGT-UHFFFAOYSA-N	198.216	3.163	30	20	AGED	
C=CCCNc1ccc(F)cc1Cl	70591531	MEFNQZMENFLFBL-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=C(C)CCN[C@H](C)CCC(C)C	168990571	GXTQACHASJXERQ-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C=CCCC[C@@H](C)NC[C@H](C)CC	379357132	QMWMFCMYIOPIFC-VXGBXAGGSA-N	183.339	3.367	30	20	AGED	
C=C(Cl)CN(C1CCCC1)C1CC1	379357542	RQRMERQBVLYUNR-UHFFFAOYSA-N	199.725	3.146	30	20	AGED	
C=CC[C@H](C)[C@@H](C)N[C@@H]1CCC1(C)C	379652829	HGNRBVLDHQNHCW-QJPTWQEYSA-N	195.350	3.365	30	20	AGED	
C=CC[C@@H](C)N[C@@H]1CCCC12CCC2	394784277	JDNSNQKEXGMXSG-VXGBXAGGSA-N	193.334	3.263	30	20	AGED	
C=CCCCCCCCNC(=O)CC	811590319	XJMOAPVDWWYWRW-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
CCCC(=NOCC)C1CCCC1	834937353	PAGRBNZHQCVYDC-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CCCON=C1CCC[C@@H](C)[C@H]1C	842555670	ZPAJETMYWUSZDO-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
C=CCN[C@@H]1CCCC[C@H]1C(C)(C)C	19875752	XCSAGSQWYQJPQN-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCCNC(CCC)CCC	143559050	NUEQAWNFWLAPDE-UHFFFAOYSA-N	169.312	3.121	30	20	AGED	
CC[C@@H]1CCCC[C@H]1C1(C=O)CC1	306257328	PNOVHGPIMSAISJ-GHMZBOCLSA-N	180.291	3.182	30	20	AGED	
C=CCCn1ccc(-c2ccccc2)n1	607148736	PLLDASPSZXUICT-UHFFFAOYSA-N	198.269	3.126	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1C[C@H]1C1CCC1	643909016	VUACHTNLHOWMPJ-WCFLWFBJSA-N	193.334	3.119	30	20	AGED	
CCCc1ccc(C(C)=NOC)cc1	767491736	YZQNEFCTTNQDOV-UHFFFAOYSA-N	191.274	3.010	30	20	AGED	
SC[C@@H]1CCCc2ccccc21	82583063	XRXGVNDPXVBEND-JTQLQIEISA-N	178.300	3.036	30	20	AGED	
C=C(C)CSCc1cnc(C)s1	307961546	LXTMGPAPXNCTJN-UHFFFAOYSA-N	199.344	3.261	30	20	AGED	
CCON=C(C)C1C(C)(C)C1(C)C	308314789	VTSPCEIRLWKVJK-UHFFFAOYSA-N	183.295	3.081	30	20	AGED	
C=CCN[C@H]1CCC[C@@H]1CCC(C)C	308498230	FFOOHXMHGRGFOF-OLZOCXBDSA-N	195.350	3.367	30	20	AGED	
C#CCCCCN[C@@H](CC)CCC=C	308740572	OMDHLDBIEXSIHG-ZDUSSCGKSA-N	193.334	3.124	30	20	AGED	
C=CCCC[C@@H](C)N[C@H](C)C(C)C	381970763	BRLTXAMDFKQCDR-VXGBXAGGSA-N	183.339	3.365	30	20	AGED	
C#C[C@H](C)N[C@H](C)C[C@@H](C)CC(C)C	389289780	YLPZEFLHVMEIQL-RWMBFGLXSA-N	195.350	3.059	30	20	AGED	
C=CCNCc1cccc(C(C)C)c1	663313462	CPSJRFMLDVEUFK-UHFFFAOYSA-N	189.302	3.086	30	20	AGED	
C[C@H]1CCCCC1=NOCCC1CC1	814247278	ZDCPHWXBWJUAOH-JTQLQIEISA-N	195.306	3.369	30	20	AGED	
C#C[C@H](CC)N[C@H](C)CCCCC=C	824363384	CTYXGQCZWPQIGN-CHWSQXEVSA-N	193.334	3.123	30	20	AGED	
C=CCON=C[C@@H]1C(C)=CCC[C@H]1C	835013773	XCXKNXGIWGUVTO-VXGBXAGGSA-N	193.290	3.167	30	20	AGED	
C=C(C)CN[C@@H]1CCCC[C@H]1CC	51753472	AVUCIUVVQVYMLE-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(C)CCN1C[C@H]2CCC[C@@H](C2)C1	671707118	WTTNXUUQTSPHTH-STQMWFEESA-N	193.334	3.075	30	20	AGED	
CC(C)CON=C1CCC[C@@H]1C(C)C	749631274	JZUBOADLOQTBET-LLVKDONJSA-N	197.322	3.471	30	20	AGED	
CCCON=C[C@H]1C(C)=CCC[C@H]1C	842554103	NMAMTTOUYYFTAP-NEPJUHHUSA-N	195.306	3.391	30	20	AGED	
C[C@H]1CC(C)(C)CC[C@@H]1S	88132156	ZLNZYASRNJONIF-YUMQZZPRSA-N	158.310	3.131	30	20	AGED	
O=CC1(CC2CCC2)CCCCC1	306467216	LSCZSIYMAOXJDY-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C1CCC(CON=C2CCC2)CC1	307509528	JUFOXRFYORTERH-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
C=CCCN[C@]1(C)CCCC[C@H]1C	308711034	OCLWIQURGYURHS-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN[C@H]1CCC[C@H]1CC	388601620	RYUVKQNZCSOYCM-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN1CCC[C@H](C)[C@H]1CCC	608566554	MAJZTTOJSRNLMN-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@H](C)[C@H]1C	70591450	XLLXOQWWKQOKID-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
C[C@H]1CCC[C@@](C=O)(CC(F)F)C1	306468184	NLPQMGUHTXYKEC-WPRPVWTQSA-N	190.233	3.037	30	20	AGED	
CCC(C[C@@H](C)CC)=NNCC(C)C	771562772	SBOUPGRGRXFWMS-NSHDSACASA-N	198.354	3.434	30	20	AGED	
C=C(CC)COC(=O)CCCC1CC1	812601237	RGIQGFJBSPTWIW-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(C)CON=C1CC[C@@H]1C1CCC1	844620498	WIXNZBNYYHRAJL-LLVKDONJSA-N	193.290	3.145	30	20	AGED	
CC1CC(CSCCCCC#N)C1	901881981	GOYVSRMHLGYHRB-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
CC(C)C[C@]1(C=O)CCCC[C@H]1C	306267708	QPJGGGGLQCUQDO-NEPJUHHUSA-N	182.307	3.428	30	20	AGED	
C=CC[C@@H](CC)N[C@@H](C)c1ccco1	308722046	DOVNQTIGJSDNLH-WDEREUQCSA-N	193.290	3.285	30	20	AGED	
CCC(CC)=NNCCC(C)(C)C	388574292	AIGVAGBNYUMHOI-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
C=CCC[C@H](CC)NC[C@@H]1CC1(C)C	389210143	IEECXCAWDMUOBB-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
Cc1cccc(CON=C2CCC2)c1	735490487	YTQIMKXQSUMJLR-UHFFFAOYSA-N	189.258	3.052	30	20	AGED	
CCCNN=C[C@H]1CCC[C@H](CC)C1	783827003	MVWHRNYHPLOXEN-RYUDHWBXSA-N	196.338	3.188	30	20	AGED	
CCC[C@H](C)Nc1ccc(C#N)cc1	19951601	WSWSMQOHEGIHMA-JTQLQIEISA-N	188.274	3.159	30	20	AGED	
N#Cc1ccccc1O[C@H]1C=CCCC1	169084329	PTVLQUQUALDXBL-LBPRGKRZSA-N	199.253	3.046	30	20	AGED	
C=C[C@H](C)[C@@]1(C=O)CCCC[C@H]1C	306219854	QTWBPCAVWCKITJ-TUAOUCFPSA-N	180.291	3.204	30	20	AGED	
CCCC(CC)=NOC(C)(C)C	308012493	NSXZECSBVXKMQG-UHFFFAOYSA-N	171.284	3.368	30	20	AGED	
C=CCCCCN[C@H](CC)[C@@H]1C[C@H]1C	322094841	XAGRAWXPSBICEY-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
C=CCCc1noc(/C=C\CCC)n1	664898468	VAUWJTDXCWWLRK-CLFYSBASSA-N	192.262	3.002	30	20	AGED	
C=CCSCc1cccnc1Cl	379329909	WNGPKTXTNFNPPS-UHFFFAOYSA-N	199.706	3.154	30	20	AGED	
CC(C)[C@@H]1[C@H](C=O)[C@@H]1C1CCCCC1	536952282	AUKBJYVTNAQGJA-XQQFMLRXSA-N	194.318	3.284	30	20	AGED	
C=CCCN[C@H](CCC)C(C)(C)C	649931253	GLFZUIQGWHFHOG-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=CC[C@H]1CCCN([C@H](C)CC)C1	661387854	ZZTSKYPAZCCWOL-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
CCCON=C[C@@H]1C(C)=CCC[C@@H]1C	842554104	NMAMTTOUYYFTAP-NWDGAFQWSA-N	195.306	3.391	30	20	AGED	
C=C(Cl)CN1[C@H]2CC[C@H]1CC(C)C2	852699961	IAPGGTKHXCWETF-QWRGUYRKSA-N	199.725	3.002	30	20	AGED	
Cc1ccc(CS)cc1Cl	148126687	VMANRQYASMJPTP-UHFFFAOYSA-N	172.680	3.078	30	20	AGED	
C=C(C)CCOc1cccc(C)c1F	229513945	PEEVLFNUKCVKQC-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
CC[C@@H](C#N)S[C@@H](C)C(C)C	232039598	ZRVRVUZRTOYQFK-IUCAKERBSA-N	171.309	3.066	30	20	AGED	
C[C@@H]1CCC[C@@]1(C=O)C1CCCC1	306722925	FZGVULGLBDPXJV-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=CCOc1cccc(C2CC2)c1	643653753	OPQRZNNATOEHPZ-UHFFFAOYSA-N	174.243	3.129	30	20	AGED	
C=CCN1c2ccccc2CC[C@@H]1C	225844099	VTPWIRWSNKAYKU-NSHDSACASA-N	187.286	3.014	30	20	AGED	
C=C(C)CCNc1ncccc1Cl	307337987	PZWVMDRYKOLFAL-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=CCN[C@@H](CCCC)C1CCC1	308460927	HMFIMYRELPIWEK-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=CCCCCNC(CC)CC	388429883	MWKAKHVVRMUJJI-UHFFFAOYSA-N	169.312	3.121	30	20	AGED	
C=CC(C)(C)CNCc1ccsc1	395407280	WDDYLEYMHOHCSX-UHFFFAOYSA-N	195.331	3.050	30	20	AGED	
C=C(C)c1ccc(OC(C)(C)C)nc1	649444543	YUYDNFWFLRJQTC-UHFFFAOYSA-N	191.274	3.292	30	20	AGED	
C=C(C)CCN[C@H]1CCC12CCCC2	649960414	VFJASUUCDOCQOI-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
C=CCCCCCN1CCC=C(F)C1	683786037	WYYHHNOXRWAWBD-UHFFFAOYSA-N	197.297	3.292	30	20	AGED	
CC(C)CON=C1CC[C@H]1C1CCC1	814883968	KCPVSYNYKLJZMT-NSHDSACASA-N	195.306	3.225	30	20	AGED	
C=C(C)C(C)(C)C(=O)O[C@H](C)CCC	820761053	MZFSBVPZLVTOKE-SNVBAGLBSA-N	198.306	3.321	30	20	AGED	
CC(C)(C#N)c1cccc(F)c1Cl	238101140	CGKXVXNPFDTVRU-UHFFFAOYSA-N	197.640	3.280	30	20	AGED	
CC[C@](C)(C=O)[C@@H]1CCC[C@@H](C)C1	307152598	YQRCXJOSYWSYFF-IJLUTSLNSA-N	182.307	3.428	30	20	AGED	
CCON=C[C@@H]1CCC[C@H](CC)C1	308317835	YELLLPCWNDVGGU-WDEREUQCSA-N	183.295	3.225	30	20	AGED	
C=CCCN[C@H](CCC(C)C)C1CC1	308510142	BPOSXLNGSNPBND-CYBMUJFWSA-N	195.350	3.367	30	20	AGED	
C=C(C)CN(CC)CCCC(C)C	388365662	VKGITMBYQKBMKY-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CCN(CCC(=C)C)C(C)(C)C	661760017	NWSNNKUXUAJRHH-UHFFFAOYSA-N	181.323	3.239	30	20	AGED	
CCCCCCn1cc(C)c(C#N)c1	783560268	VPEQXCAPSSJSSK-UHFFFAOYSA-N	190.290	3.249	30	20	AGED	
CC(C)CNN=C[C@@H]1CCCC[C@@H]1C	783863356	KPDNFVKAIPWCKP-RYUDHWBXSA-N	196.338	3.044	30	20	AGED	
CCCC(CC)=NNCC1CCCC1	808006312	QTBDIMBHJVZPPF-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CCCON=C(C)CC1CCCC1	842554188	OCGJFHBWZCZHEJ-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CCC[C@]1(C=O)CCCC[C@H]1C	306198399	PJSLGCVQAAVHGU-GHMZBOCLSA-N	168.280	3.182	30	20	AGED	
C=C(C)CN1CCCC[C@@H]1C(C)C	605000717	XLEWTNGUBFBVCH-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=CCCN[C@@H]1CCC[C@H]1CCCF	658114178	MWBNARGRZYDEQZ-NWDGAFQWSA-N	199.313	3.071	30	20	AGED	
CCCC(CC)=NNc1ccccn1	776179769	XFGIFNXRKRZOFJ-UHFFFAOYSA-N	191.278	3.060	30	20	AGED	
CCCCNN=C(C)CC(C)(C)C	834940505	NOBQRAWZEZLINB-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
N#CC[C@H]1CCCc2ccccc21	35784180	MVYCQWUMBNUFHW-LLVKDONJSA-N	171.243	3.020	30	20	AGED	
C#CCCCOc1ccc(C)cc1C	75421164	YCJKFQLDUPMLMP-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C=CCCN(CC)Cc1cccs1	308500102	WIHGYJSTBQVQKY-UHFFFAOYSA-N	195.331	3.146	30	20	AGED	
C=CCNC(C)(C)c1cccc(C)c1	388879893	HJMISBJJRBLICQ-UHFFFAOYSA-N	189.302	3.006	30	20	AGED	
CCC(CC)CNN=C1CC[C@H](C)C1	814906049	DKFOFXLPFHDERN-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CCCSCc1cccc(C#N)c1	19870248	LXNRZPJLDVSPNC-UHFFFAOYSA-N	191.299	3.201	30	20	AGED	
CC[C@H]1CCCC[C@@H]1CS	147838293	YWOXYIBCBPEJGY-DTWKUNHWSA-N	158.310	3.133	30	20	AGED	
CCC1CCC(C=O)(CC)CC1	306270425	ONADYQHOFVNBOC-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
C[C@H]1CCCC[C@]1(C=O)CC1CC1	306471981	SLAQVJDZZVQMGE-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
CCCCCCC=NNCC(C)C	308472114	KYDFAABKSNZYJQ-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
CCC(CC)CNN=C1CC[C@@H]1CC	807985749	MTOMLBZIOAASAJ-NSHDSACASA-N	196.338	3.188	30	20	AGED	
CCC(C)=NNc1cc(F)cc(F)c1	920376722	PEVXCPAIKXYZOM-UHFFFAOYSA-N	198.216	3.163	30	20	AGED	
CC(C)SCc1ccccc1C#N	37685626	BPIZYPXDMUBOGB-UHFFFAOYSA-N	191.299	3.200	30	20	AGED	
C=C(C)CNc1ccc(OCC)cc1	41571080	VWMXUSFSKWHELT-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
FC(F)(F)[C@H]1CCC[C@@H](S)C1	82862813	FLJZHYMWWZUNND-NTSWFWBYSA-N	184.226	3.037	30	20	AGED	
CC#CCSCC1CCCCC1	306513255	SDYOJECRSCKOJN-UHFFFAOYSA-N	182.332	3.323	30	20	AGED	
C=CCCSc1cccc(C#N)c1	308341631	RJFQYIWECLRRTD-UHFFFAOYSA-N	189.283	3.226	30	20	AGED	
C=C(C)CNC[C@@H]1CCC[C@H](CC)C1	379593265	BLKMNMJFZMVFJE-QWHCGFSZSA-N	195.350	3.369	30	20	AGED	
C=CCCCCN[C@@H](C)CCC=C	388630535	KVRVUAHIWMAMEM-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C=CCN(C)[C@H](C)c1ccccc1F	613465259	WBIGYHUBZBQZAU-SNVBAGLBSA-N	193.265	3.005	30	20	AGED	
CCCCCC[C@H](C)NCCCC#N	42222740	LWTQNOJKBFLFLT-LBPRGKRZSA-N	196.338	3.239	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)c1ccsc1	161687008	HMLZASXATVPTDY-UWVGGRQHSA-N	195.331	3.363	30	20	AGED	
C=CCCCSCc1conc1C	596343318	STOLLSLJAZVZJE-UHFFFAOYSA-N	197.303	3.182	30	20	AGED	
CCC(CC)N[C@@H](C)CC(C)(C)C#N	695888926	XQGURUTZDGLADT-JTQLQIEISA-N	196.338	3.093	30	20	AGED	
C=CCNc1ccc(Cl)c(F)c1	50522119	VHACYLUEIYGUEM-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C[C@@H](S)CCC(C)(C)C	306243242	NSWKJQSPSFYFKZ-SSDOTTSWSA-N	146.299	3.131	30	20	AGED	
C=C(C)CSCCSC(C)C	307896182	IQVWXNKEWQHZMT-UHFFFAOYSA-N	190.377	3.437	30	20	AGED	
C=CC[C@H](CC)NCCCC(C)C	308170386	BDCWYJUWASFJSC-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C[C@H]1CCCC1=NOC1CCCC1	393585320	QLJWRKYFWKSWKP-VIFPVBQESA-N	181.279	3.122	30	20	AGED	
C=C1CCN(CCCC2CCC2)CC1	659911238	PRVGKMWQJMUMBU-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C=C(C)CN1CCC[C@@H](CC(C)C)C1	675250424	OREUVVWFNOTUOX-ZDUSSCGKSA-N	195.350	3.321	30	20	AGED	
C[C@H]1CCCC1=NNCCC(C)(C)C	782902500	AZZYKELDODBQJG-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CC[C@H](C)NN=C[C@H]1CCCC[C@H]1C	790182911	NJCGPPDWZZCMCI-GRYCIOLGSA-N	196.338	3.187	30	20	AGED	
C=CCCC(CCC)=NNCCCC	814805714	LTOCZKYRMIFWLS-UHFFFAOYSA-N	196.338	3.498	30	20	AGED	
C[C@@H]1CC[C@]2(c3ccccc3)O[C@@H]2C1	196897226	MQJUQCDTXVLXJK-RAIGVLPGSA-N	188.270	3.101	30	20	AGED	
CC(C)=CC[C@]1(C=O)CCC[C@@H]1C	306336963	UQNYYJFBLOWZHX-RYUDHWBXSA-N	180.291	3.348	30	20	AGED	
C=CC(C)(C)CNc1ccnc(C)c1	307487708	NXOAIYQHUZYVBQ-UHFFFAOYSA-N	190.290	3.014	30	20	AGED	
CCC[C@H](CC)S[C@@H](C)C#N	379243900	ZBVMVRMNVHQNCG-IUCAKERBSA-N	171.309	3.210	30	20	AGED	
C=CCN(c1ccccc1C)C(C)C	591809625	KPFKWOOMAIHAQQ-UHFFFAOYSA-N	189.302	3.396	30	20	AGED	
C=C(CC)CN1CCCC[C@H](C)C1	306261359	VYRZHOLSVHBEJW-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CC[C@@H](CC)NC1CCCCC1	308309818	QPMPMNAJPPCTIR-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C#C[C@H](NCCC(C)(C)C)C(C)(C)C	308605779	BPSZIJVFISREGU-NSHDSACASA-N	195.350	3.060	30	20	AGED	
C=CCCN1CC[C@@H]2CCCC[C@@H]2C1	1329142248	QXYXUEJKJHIYPM-QWHCGFSZSA-N	193.334	3.075	30	20	AGED	
C=CCC(C)(C)NCc1ccccc1	34529566	RPHYXOASHGMIAK-UHFFFAOYSA-N	189.302	3.131	30	20	AGED	
C=C(C)CNC(CC)(CC)CC	83388016	ZEGWYHDFLSJTTB-UHFFFAOYSA-N	169.312	3.121	30	20	AGED	
C=C(CC)CNC1CCC(C)CC1	85057080	QNXFZHASOKWXIL-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CCCC[C@H](C)N[C@H]1CC[C@@H]1C	308249275	GUPUYNDXLIFMJP-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=C(CC)CON=Cc1cccs1	308314013	UBCHZTRGTIOXIL-UHFFFAOYSA-N	195.287	3.065	30	20	AGED	
CCCCCC(C)=NN[C@@H](C)CC	308381235	UUNIQVGPVMFMKP-JTQLQIEISA-N	184.327	3.331	30	20	AGED	
C=CCCN[C@H](CCC)C1CCC1	322819951	GROCKCDTRKASKQ-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
CCCC[C@@H](C)N(CC#N)CCCC	590201363	XPFNPIMIPFAQSI-GFCCVEGCSA-N	196.338	3.191	30	20	AGED	
N#CCC[C@@H]1C[C@@H]1c1ccccc1	261023444	YRDCLOMERWSGJC-VXGBXAGGSA-N	171.243	3.094	30	20	AGED	
CC[C@H](SCC#N)c1ccccc1	308412301	LZNOEOKNBJIGJW-NSHDSACASA-N	191.299	3.394	30	20	AGED	
C=CCCCCN[C@H](C(C)C)C1CC1	308544134	VIIQZSFAEMRYEY-CYBMUJFWSA-N	195.350	3.367	30	20	AGED	
C=CCCCN[C@H]1CCC[C@@H]1CC	379373166	WQNJDTJSOGZIHH-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CCCCCN[C@H](C)CCC=C	388630534	KVRVUAHIWMAMEM-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NC1(C2CC2)CC1	389330341	UVICSMJGMCZCHT-MNOVXSKESA-N	193.334	3.119	30	20	AGED	
C=CCCSCC1CC=CC1	596342506	MTUCIPDLSFASEX-UHFFFAOYSA-N	168.305	3.262	30	20	AGED	
CC[C@@H]1CCCC(=NNCC(C)C)C1	771567159	OSKIZMOJNZUBQB-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
CC[C@@H](C)NN=C1CCCC12CCC2	834973109	LZVLCXGFHYELIN-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C#CCCCOc1c(C)cccc1C	75421162	YJHROMKTEUQZRV-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
CC[C@@H](C[C@H](C)CC)NCCCC#N	389275849	OOUUUZMCPWIVDV-NEPJUHHUSA-N	196.338	3.095	30	20	AGED	
C=C(CC)CN(CC)Cc1ccoc1	678623875	OISLTYIYSPQFNR-UHFFFAOYSA-N	193.290	3.068	30	20	AGED	
CCCNN=C1CC[C@H](C)C[C@H]1CC	769569006	CTXNHBYBTUOLPM-WDEREUQCSA-N	196.338	3.188	30	20	AGED	
C=CCCCc1nnc([C@@H](C)CC)o1	1349934224	KSPLFYIQEUKQGB-VIFPVBQESA-N	194.278	3.092	30	20	AGED	
CCCCCCC[C@@H](C)NCCC#N	59090375	OEPJPTRBACGHQF-GFCCVEGCSA-N	196.338	3.239	30	20	AGED	
C[C@@H]1CC[C@](C=O)(C/C=C/Cl)C1	307309351	PCIKBNUQERLSFR-NXVMTKBZSA-N	186.682	3.134	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CCC1(C)C	381850661	FNBJKHVWCIOJHC-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
CC[C@H](C)CS[C@@H]1CC[C@H](C#N)C1	590726710	GWEFJZFCYHLCJK-GARJFASQSA-N	197.347	3.458	30	20	AGED	
CCCCNN=C[C@H]1CCC[C@H](C)C1	768359173	ANASVGRNRRMAKN-RYUDHWBXSA-N	196.338	3.188	30	20	AGED	
C[C@H](NN=C1CCC[C@H]1C)C(C)(C)C	793110943	DAISVDAQLVSYGE-ZJUUUORDSA-N	196.338	3.187	30	20	AGED	
C#Cc1cccc(NCC2CCCC2)c1	42011139	LVXPCFFBOKUOJL-UHFFFAOYSA-N	199.297	3.270	30	20	AGED	
CCCCCCCCN[C@H](C)CC#N	126839232	WECLWKDKYSQSAV-GFCCVEGCSA-N	196.338	3.239	30	20	AGED	
C=C(C)COc1cccc2cccnc12	145952950	VESQXICFSMMZGI-UHFFFAOYSA-N	199.253	3.190	30	20	AGED	
C=CCCCSc1ccncc1	307971995	YTDGCBGLTMTGMN-UHFFFAOYSA-N	179.288	3.140	30	20	AGED	
C=CCCCN1CCC[C@@H]2CCC[C@@H]21	608498524	QTGPFVLZAVXGRM-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCC1CC(C)C1	621739488	KCZARAPFBGBQRJ-CMOBGSAGSA-N	195.350	3.223	30	20	AGED	
C=C(C)CN1CCC[C@@H]1CCC(C)C	676041833	OWGWETQNAYXWSR-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
C=CCCN(C)C[C@@H]1CCC[C@@H](C)C1	682435050	IOBUSWTUVVSUAF-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
C[C@@H]1CCC(=NN[C@H](C)C(C)(C)C)C1	814937966	SSWPITOZZKDWRF-NXEZZACHSA-N	196.338	3.187	30	20	AGED	
C#CCCSc1ccc(C)s1	830052789	QHGCZPOJXHLTOV-UHFFFAOYSA-N	182.313	3.172	30	20	AGED	
CC(C)ON=C1CCCCC[C@@H]1C	844601741	UPBSHLOYRRFMNS-JTQLQIEISA-N	183.295	3.368	30	20	AGED	
C#CCCNc1cc(Cl)ccc1C	70159530	QVZBLVWWNCMKLG-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCSCc1ccnc(Cl)c1	308007351	NEGNHXHVPIVJRY-UHFFFAOYSA-N	199.706	3.154	30	20	AGED	
C=C(Cl)CN(CC)[C@@H](C)C(C)C	308008907	KBSCFCMAKMCIMI-JTQLQIEISA-N	189.730	3.105	30	20	AGED	
CON=C/C=C(\C)CCC=C(C)C	379405060	SKTBLMLVYQJMNW-TWBNHMDGSA-N	181.279	3.311	30	20	AGED	
C=CCC(C)(C)c1noc(C(C)C)n1	645629048	NQNRIZOVYDPXNZ-UHFFFAOYSA-N	194.278	3.047	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@@H](C)[C@@H]1C	229591940	LCPFSZQJDXKPGE-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
C=CCCC(CC)=NN[C@H](C)CC	308408655	KSWHEEKPUQNPLG-SNVBAGLBSA-N	182.311	3.107	30	20	AGED	
C=CCCCCCSc1ncc[nH]1	388592055	LYORJHPCDYLYRG-UHFFFAOYSA-N	196.319	3.248	30	20	AGED	
C=CCCN[C@@H]1CCCC[C@@H]1C1CC1	658115461	VUABUCRHXJTJDK-CHWSQXEVSA-N	193.334	3.121	30	20	AGED	
C=CCCCCC(C)=NOCC	834937318	NMFRWLQNZNFGTO-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
CC(CCCCC#N)=NOC(C)(C)C	1118025081	LDTKQNOOKVMBDJ-UHFFFAOYSA-N	196.294	3.261	30	20	AGED	
CC(C)(C=O)C/C=C/c1ccccc1	4759997	ZQNBCNJBAWIUKC-RMKNXTFCSA-N	188.270	3.315	30	20	AGED	
C=CCCSc1ccccc1	39147625	SXDNKCWZMMOUHO-UHFFFAOYSA-N	164.273	3.355	30	20	AGED	
C=C[C@@H](O)c1cccc2ccccc12	83813473	RTPZDQUSWPVXBL-CYBMUJFWSA-N	184.238	3.059	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)C[C@@H](C)CC	157267590	GUGFQJSIBUONPQ-SRVKXCTJSA-N	183.339	3.365	30	20	AGED	
C=CCC[C@@H](C)N[C@H]1CCC1(C)C	388603738	UFRKNEYOADWXEH-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC1(C(C)C)CC1	393908555	QCWNTOLWADBZHR-RYUDHWBXSA-N	195.350	3.365	30	20	AGED	
CCCN(CCC)C[C@H](C)CCC#N	602430197	WUKOCIJACZMVPX-GFCCVEGCSA-N	196.338	3.048	30	20	AGED	
CCCc1cccc(C=NOCC)c1	774361243	JZIDPCLINBEBMV-UHFFFAOYSA-N	191.274	3.010	30	20	AGED	
C=C(C)CON=C[C@@H](C)C(C)(C)C	844618238	MWRNPDIGTAUBHX-SNVBAGLBSA-N	183.295	3.247	30	20	AGED	
CCCC1CCC(S)CC1	37743311	HYXJAQHNARCGJZ-UHFFFAOYSA-N	158.310	3.275	30	20	AGED	
C#CCCN(CC(C)C)C(CC)CC	86453592	KQGUBLLYOBCNAE-UHFFFAOYSA-N	195.350	3.156	30	20	AGED	
CC[C@H]1CC[C@@](C=O)(C(C)C)C1	306595204	UAXGLTPFTUHOIL-WDEREUQCSA-N	168.280	3.038	30	20	AGED	
CC[C@@H]1CCC1=NNc1ccccc1	807942143	JVSPKIWHXRMKKV-SNVBAGLBSA-N	188.274	3.275	30	20	AGED	
C=C(C)COC(=O)[C@H](CC)CCCC	919223050	NIIYYCFRVFRWEI-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
N#CCSCc1ccccc1Cl	58254544	KMHRIZJZICGCFI-UHFFFAOYSA-N	197.690	3.097	30	20	AGED	
CC(C)C[C@@]1(C=O)CCC[C@@H](C)C1	306354210	QQXPKBWRZWXHHH-NEPJUHHUSA-N	182.307	3.428	30	20	AGED	
C=C(CC)CN1CCC[C@@H](C)[C@@H]1C	306554980	KOZMDGZXJACEMZ-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCCn1ccnc1C1CC1	530130970	VGIKREHSRXQFFE-UHFFFAOYSA-N	190.290	3.117	30	20	AGED	
CCCN(CC(C)C)[C@@H](C)CCC#N	591012028	KPBUAANRSDRCKJ-LBPRGKRZSA-N	196.338	3.047	30	20	AGED	
C=CCCN1CC[C@H]2CCCC[C@@H]2C1	1329142246	QXYXUEJKJHIYPM-CHWSQXEVSA-N	193.334	3.075	30	20	AGED	
CC[C@H](CC#N)N[C@@H](C)CCC(C)C	54183209	QLSAQSHRPKEAEG-NWDGAFQWSA-N	196.338	3.093	30	20	AGED	
C=CCCCCCON=C1CCC1	308259633	LSJUENJBRGNNAX-UHFFFAOYSA-N	181.279	3.289	30	20	AGED	
C=C[C@H]1CCCCN1C[C@H](C)CC	308316449	VUYOKXPLLFMKRB-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
CC(C)CNN=C1CC[C@H](C)[C@H](C)C1	767385510	KLZXEGGPHXNRTR-WDEREUQCSA-N	196.338	3.044	30	20	AGED	
C#CCCCS[C@H](C)CCC	842178544	OYOSBACHHUBUDG-SNVBAGLBSA-N	170.321	3.322	30	20	AGED	
C=C(C)CON=C(C)CCC1CC1	844618226	MHLWOFQJYBPHCR-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
Cc1ccccc1CS[C@@H](C)C#N	47820187	NPVFFUGDLHDJSP-JTQLQIEISA-N	191.299	3.140	30	20	AGED	
CC#CCSc1cccc(C)c1	307034783	MVYLEOJRTXJYQI-UHFFFAOYSA-N	176.284	3.110	30	20	AGED	
C=CCN[C@@H]1CCC[C@H]1CCC(C)C	308498231	FFOOHXMHGRGFOF-QWHCGFSZSA-N	195.350	3.367	30	20	AGED	
C=CCCOC(=O)C(C)(C)CC(C)C	753398451	ZZFXEAUZRPLPSX-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
CCN(C[C@@H](C)CCC#N)C(C)(C)C	1349627332	ZJBMATZPXAKKDI-NSHDSACASA-N	196.338	3.047	30	20	AGED	
CC#CCN1CCC[C@@H]1CCCCC	676041908	PVHWBCULQRLIRL-ZDUSSCGKSA-N	193.334	3.054	30	20	AGED	
C=CCCC(CCC)=NOCC=C	835016080	VRWJKUQELYBDRY-UHFFFAOYSA-N	181.279	3.311	30	20	AGED	
C=C(C)CON=C[C@@H]1CCCC[C@H]1C	844618628	YZQHFNFFDJFAOA-NEPJUHHUSA-N	195.306	3.391	30	20	AGED	
CC(C)CC(CC=O)CC(C)C	90669536	SGDDLQCALMFFSA-UHFFFAOYSA-N	170.296	3.284	30	20	AGED	
N#CCc1cc2sccc2s1	225062195	MJZMIWNGEWAACD-UHFFFAOYSA-N	179.269	3.029	30	20	AGED	
C=CCCCN(CC)CCC1CC1	308215947	JHWVWCKJJWNMLA-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCN1CCC[C@H](C(C)C)C1	682042096	ONMJZXDXHRXJPZ-ZDUSSCGKSA-N	195.350	3.321	30	20	AGED	
CC[C@@H](C)CON=C1CC[C@@H]1C1CC1	814938870	XEBFKLUNIXTKRQ-MWLCHTKSSA-N	195.306	3.225	30	20	AGED	
C=CCCCCN[C@H](CC)C(C)C	308237137	WPURDHXUISZWGQ-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C#C[C@H](C)N[C@H](C)C[C@H](C)CC(C)C	389289778	YLPZEFLHVMEIQL-FRRDWIJNSA-N	195.350	3.059	30	20	AGED	
C=C(C)CSCC[C@@H]1CCCC1=O	600623407	PEMDPUBXUDUXBV-JTQLQIEISA-N	198.331	3.055	30	20	AGED	
C#CCCCCCC=NOC1CCC1	834979901	SKGJRPVVSOCMBU-UHFFFAOYSA-N	193.290	3.125	30	20	AGED	
CC1(C)C[C@@H](S)c2ccccc2O1	88037683	SEKABZRXBPQDSP-SNVBAGLBSA-N	194.299	3.219	30	20	AGED	
C#CCCCOc1ccc(CC)cc1	161061666	ZRXBFTSRWVVXIB-UHFFFAOYSA-N	188.270	3.041	30	20	AGED	
C=CCC[C@H](C)NCC1(CC)CC1	230668123	VGVMDAADQXXTBU-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CC(C)(C)ON=C1CCCCC1	306688503	JIKNRYCIHPOSET-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C=CCN(CC)c1ccccc1Cl	308389348	YWMDHMLFJGMTFA-UHFFFAOYSA-N	195.693	3.352	30	20	AGED	
C[C@@H]1CCCC1=NN[C@H](C)C(C)(C)C	793110940	DAISVDAQLVSYGE-NXEZZACHSA-N	196.338	3.187	30	20	AGED	
CC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1	70586429	OQSWCVRBDZMAJQ-WJSSXASWSA-N	190.242	3.005	30	20	AGED	
C#C[C@H](C)N[C@H](C)CCCCCCC	166493480	UZFFODWWHLZPLB-QWHCGFSZSA-N	195.350	3.347	30	20	AGED	
C=CCCSCCC1CC1	307507801	ZVQFJSIQSJGZJX-UHFFFAOYSA-N	156.294	3.096	30	20	AGED	
CC(C)C[C@H](C)C=NOC1CCC1	308145972	LSDDCBRBEVGYKM-JTQLQIEISA-N	183.295	3.224	30	20	AGED	
CCON=C[C@@H]1CCCC(C)(C)C1	388325796	ZKRQQOYQODXJAQ-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
CCCCCCCOC(=O)C1(C)CC1	761064584	LUOUTZWPKHTYBT-UHFFFAOYSA-N	198.306	3.300	30	20	AGED	
C=CCCCCOC(=O)CCC(C)C	811009560	YQJKQDCYNBZWCT-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=CCSc1ccc2c(c1)CCC2	307515577	PFJCLLODNHARTD-UHFFFAOYSA-N	190.311	3.453	30	20	AGED	
C=CCCN(C)[C@@H](C)CCCC	379315718	UJYZZYIMPSFKAQ-NSHDSACASA-N	169.312	3.073	30	20	AGED	
C=C(C)COc1ccc(SC)cc1	388304540	OYCZUMITVAKXCA-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
C=CCC[C@H](C)N[C@]1(C)CC1(C)C	658304570	PSFKHZFOVIUUQU-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
C=CCCCCOC(=O)/C(C)=C/CC	811011786	MMVZQFMYSFBEOH-PKNBQFBNSA-N	196.290	3.242	30	20	AGED	
CCCCNN=C(CC)[C@H]1CC1(C)C	841619145	KDXRAQPXYDEGQH-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C=CCCNc1ccc(C)cc1C	70591203	VXKXQEZWQQIEOF-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C=C(C)CSc1ccccc1F	306995048	PBMBSCFEVZNCPN-UHFFFAOYSA-N	182.263	3.494	30	20	AGED	
C[C@H](C=NOC1CCC1)C(C)(C)C	388642681	PETUTTVBAIAZEL-SECBINFHSA-N	183.295	3.224	30	20	AGED	
C=CC[C@H](C)N[C@@H](C1CCC1)C1CC1	651263644	UNFTZWXGRSYKGH-GWCFXTLKSA-N	193.334	3.119	30	20	AGED	
C#CCCN(CC(C)C)CC(C)(C)C	760848326	WPONWECABYPBOC-UHFFFAOYSA-N	195.350	3.014	30	20	AGED	
C[C@H]1CCC(=NOC2CCC2)C[C@H]1C	812236445	MGWBZWCLHFXYSB-VHSXEESVSA-N	195.306	3.368	30	20	AGED	
CC[C@H]1CCCCC1=NOC(C)C	835003555	VKQWLXXYELYTBA-JTQLQIEISA-N	183.295	3.368	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCCC[C@@H]1C	161686641	ZUFNTFYRCWRPDW-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=CCCCSc1ccccn1	221887937	ZOWUUPVKTSZRJS-UHFFFAOYSA-N	179.288	3.140	30	20	AGED	
S[C@@H]1CCCC12CCCC2	307256287	IGXGNGBFQDBFMZ-MRVPVSSYSA-N	156.294	3.029	30	20	AGED	
CC(=NOC1CCC1)c1cccs1	308337878	OZSQUPPHKXJNLT-UHFFFAOYSA-N	195.287	3.041	30	20	AGED	
C=CCC[C@H](CCC)N[C@@H](C)CF	308371832	QNCCATOXTHQJNP-QWRGUYRKSA-N	187.302	3.069	30	20	AGED	
C=C(CC)COC(=O)CC(CC)CC	773533514	XWVFLAZAFOHEKY-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C(C)CSc1ccccc1O	50046866	NCJOZPKAAJBLBT-UHFFFAOYSA-N	180.272	3.060	30	20	AGED	
C=CCCN[C@@H]1CCC[C@H](CC)C1	82847620	WNTPCAVMCINXAU-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
CC(C)=CCC1(C=O)CCCCC1	238141951	KZDVUTCFGKBKLX-UHFFFAOYSA-N	180.291	3.492	30	20	AGED	
CCON=C1CCC(C)(C)C[C@H]1C	388222963	IZZUJRWKJCBRBX-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C=C(Cl)CSCCCSC	840214627	LWXGJOINMCHGNU-UHFFFAOYSA-N	196.768	3.225	30	20	AGED	
CCCCNN=C1CCCCC[C@@H]1C	844574925	AWVLNJNAVJTLNS-NSHDSACASA-N	196.338	3.332	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC[C@@H]1C=CCC1	883246113	AILTZGJBCPKTNT-RWMBFGLXSA-N	193.334	3.143	30	20	AGED	
C=C(C)CCNC1CC2(CCCC2)C1	926519446	LXRYZARIOOBVDU-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=CCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	35439025	NUKLOZQNJQRSBK-JHJVBQTASA-N	195.350	3.223	30	20	AGED	
C=CCC[C@H](C)NC1CCCCC1	126714193	ISQFZGSLVMJIID-NSHDSACASA-N	181.323	3.263	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CCC[C@H]1C	306241732	MOHCWIVWHNPDOK-AXFHLTTASA-N	168.280	3.038	30	20	AGED	
C[C@H]1CCC[C@@]1(C=O)C/C=C/Cl	307290176	ATPZYCRPJXDHJS-GCXNMTOTSA-N	186.682	3.134	30	20	AGED	
C=C(Cl)CN(C1CC1)[C@H](C)C1CC1	308159363	UEQZSZVLQNRWML-SECBINFHSA-N	199.725	3.002	30	20	AGED	
CCC(=NOC)c1cccc(Cl)c1	308314380	UIBUESIFDREPSV-UHFFFAOYSA-N	197.665	3.101	30	20	AGED	
C=CCCCN1CC[C@@H](C)C[C@H]1C	379386035	WEHKDNGGKPJWDT-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C#CCCCSC/C(C)=C/Cl	388161280	VMXYLNAJRUXMKH-VQHVLOKHSA-N	188.723	3.276	30	20	AGED	
CC(CCC1CC1)=NOCC(C)C	393719305	LCLUIBUTQLQSQV-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
CC(C)C[C@@H](C)SCCC#N	591133008	YCWCOFDWSGINNU-SECBINFHSA-N	171.309	3.068	30	20	AGED	
C=CCC[C@H](NCCC(=C)C)C1CC1	651420810	MGZZZRJVLWDQIF-ZDUSSCGKSA-N	193.334	3.287	30	20	AGED	
C=C(C)CCN(C)[C@H]1CCC[C@H](C)C1	681399300	QMPJNYWVUCNYCH-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=CCCCCN(CC=C)C(C)C	827438229	LZNKRGHITRJQKP-UHFFFAOYSA-N	181.323	3.239	30	20	AGED	
C[C@@H]1CCCCN1N=C1CCCCC1	853380728	YIPNZRIMHOMYOW-LLVKDONJSA-N	194.322	3.181	30	20	AGED	
C=CCCCOc1ccc(OC)cc1	81223236	SELNPKMUHIZRKM-UHFFFAOYSA-N	192.258	3.040	30	20	AGED	
C=CCCCN1CC[C@H](C)C[C@H](C)C1	676903751	BXVYAQGSWSJQDG-STQMWFEESA-N	195.350	3.321	30	20	AGED	
C=C(C)CON=C[C@H]1CCCC[C@H]1C	844618631	YZQHFNFFDJFAOA-VXGBXAGGSA-N	195.306	3.391	30	20	AGED	
C=CCC[C@@H](CCC)N[C@@H]1C=CCC1	850509683	PNFBNEUFKMYLIT-CHWSQXEVSA-N	193.334	3.430	30	20	AGED	
C=C(CC)CNCc1ccc(C)cc1	85057183	FFSMLCXSAMFUIJ-UHFFFAOYSA-N	189.302	3.051	30	20	AGED	
C=C(C)COc1ccc(OCC)cc1	199412391	KXLPGXUPZASPRO-UHFFFAOYSA-N	192.258	3.040	30	20	AGED	
C#C[C@H](CC)N[C@@H](C)CCCCCC	229519632	DEORNGBOJFWZOE-QWHCGFSZSA-N	195.350	3.347	30	20	AGED	
CC(C)[C@H](C)SCC1(CC#N)CC1	232767975	YOQKIJHZFHSCLA-JTQLQIEISA-N	197.347	3.458	30	20	AGED	
C=CCCCC[C@@H](C)NC(C)C	307947594	LFVSSMFTVFJCLD-LLVKDONJSA-N	169.312	3.119	30	20	AGED	
C=C(C)CCNC(=O)CCCCCC	687796286	ZHOBLDJQRUYRSG-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=C[C@@H](C)ON=C1CC(C)(C)C[C@@H]1C	844626467	WCZYZYLLYIZWTI-VHSXEESVSA-N	195.306	3.390	30	20	AGED	
C=C(C)CCC(=O)NCCCCCC	1336899416	PBWLBDQVKPAUIJ-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
Cc1cc(F)c([C@@H](C)S)cc1F	87207069	SACCEHLISXSASU-ZCFIWIBFSA-N	188.242	3.264	30	20	AGED	
CCCCCCCOC(=O)C=C(C)C	141365180	WAJLPLLODUHMQP-UHFFFAOYSA-N	198.306	3.466	30	20	AGED	
C=CCCOc1ccc(C)c(F)c1	226438079	VBZOOPVNLSKXJF-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
CC[C@H]1CCC[C@H](CS)C1	307280914	GGXRNBIPWUBOQY-IUCAKERBSA-N	158.310	3.133	30	20	AGED	
C=C(Cl)CN(C)c1ccc(F)cc1	307708643	JOWUJRDIVIPWQO-UHFFFAOYSA-N	199.656	3.014	30	20	AGED	
CON=C[C@@H](C)c1cccc(Cl)c1	308428727	SLDREUFFWWMVRO-MRVPVSSYSA-N	197.665	3.076	30	20	AGED	
CC(C)CCCS[C@@H](C)C#N	379186982	RSWZYGCTVMUOBP-VIFPVBQESA-N	171.309	3.068	30	20	AGED	
CCON=C(C)CCc1ccsc1	388302382	ODIZROXHCOSQRC-UHFFFAOYSA-N	197.303	3.093	30	20	AGED	
C=CCCCCN1C[C@@H]2CCC[C@H]2C1	649349192	NNZGRHMFLGOVGR-STQMWFEESA-N	193.334	3.075	30	20	AGED	
C=C(Cl)CSCC1CC=CC1	853783601	NBPDOBOAJNNPTD-UHFFFAOYSA-N	188.723	3.438	30	20	AGED	
CCCCCNCC(C)(C)CCC#N	126619497	ATYTXSKFMAXAQJ-UHFFFAOYSA-N	196.338	3.096	30	20	AGED	
C=CCN[C@H]1CCCC[C@@H]1CCC	308395065	CSZINUZJBPCVDI-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CCCN[C@@H](C)c1ccc(CC)o1	658117032	QYIYOHXZVVNOOX-JTQLQIEISA-N	193.290	3.069	30	20	AGED	
C=C(CC)COc1c(F)cccc1F	678613306	ZZXTWRWBMRTXNK-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
CCCCC/C=C1/CCCC1=O	2166787	WZPGQHVPSKTELT-YFHOEESVSA-N	166.264	3.246	30	20	AGED	endogenous,in-man
C=C(CC)CN[C@H](CC)CCC	85058270	OPCAQYJVMMZXSB-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
C=C(CC)C[C@H]1CCCCC[C@H]1O	85064610	KZMLIQNNNPTPBP-VXGBXAGGSA-N	182.307	3.284	30	20	AGED	
C=C(Cl)CNc1cc(C)cc(F)c1	85730601	SAZJFPRCKHGIEO-UHFFFAOYSA-N	199.656	3.299	30	20	AGED	
C=C(C)CCN[C@H](C)c1ccc(C)o1	168060288	IXNRDEBRDPDPMY-LLVKDONJSA-N	193.290	3.205	30	20	AGED	
C/C=C/C[C@]1(C=O)CCC[C@H](C)C1	306469187	OZZAFEQPAGDBJS-QSKOYVBTSA-N	180.291	3.348	30	20	AGED	
C=CC[C@H](C)N[C@H](CC)C1CCC1	322854364	QVZNJAAUMJZRRU-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
C=CCCCN(C)c1ccc(F)cc1	605150105	QXWIZXSNNDFXHE-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
CCCNN=C[C@@H]1CCC[C@H](CC)C1	783827002	MVWHRNYHPLOXEN-NWDGAFQWSA-N	196.338	3.188	30	20	AGED	
CC[C@H]1CCC1=NNCCC(C)(C)C	807982434	AIULUPRUKMAJOX-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CC(C)(C)c1ccc2[nH]cc(C#N)c2c1	82589000	QGEFHZMSSCENSH-UHFFFAOYSA-N	198.269	3.337	30	20	AGED	
CC[C@H]1CCC[C@H](S)CC1	83435133	XQUPXMPFBFMVFS-IUCAKERBSA-N	158.310	3.275	30	20	AGED	
C=CCSC/C(Cl)=C\Cl	306634523	VYNIHRDPBGDIFI-GQCTYLIASA-N	183.103	3.225	30	20	AGED	
CC(C)CON=C[C@H]1CC[C@H](C)C1	308170812	ZLHKLWNRIKWKMD-QWRGUYRKSA-N	183.295	3.081	30	20	AGED	
C=CC[C@@H](CC)N[C@@H]1CCC1(C)C	388616841	AYACYNINJHBSJA-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN1CCC[C@H]1CC(C)C	623436678	OHKREYNHIPOFCG-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=C[C@H](C)NC1CCC(C)(C)CC1	157291369	VJUZGNMTVBZWFH-JTQLQIEISA-N	181.323	3.119	30	20	AGED	
C=CCCN(C)[C@H](C)CCCC	379315717	UJYZZYIMPSFKAQ-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
C=CC[C@H]1CCCN([C@@H](C)CC)C1	661387856	ZZTSKYPAZCCWOL-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC[C@H]1C=CCC1	883246112	AILTZGJBCPKTNT-AVGNSLFASA-N	193.334	3.143	30	20	AGED	
CC(C)C[C@]1(C=O)CCCC[C@@H]1C	306267712	QPJGGGGLQCUQDO-RYUDHWBXSA-N	182.307	3.428	30	20	AGED	
C[C@@H]1CC[C@@](C=O)(C/C=C/Cl)C1	307309344	PCIKBNUQERLSFR-GLWCVISYSA-N	186.682	3.134	30	20	AGED	
C=CCCCN(C)[C@@H](C)CCC	388472752	OHDDOVHTGACHMH-NSHDSACASA-N	169.312	3.073	30	20	AGED	
C=CCCCN1CC[C@@H]2CCCC[C@@H]21	645955993	WLKKPSYMOLQFLZ-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=CCCN(C)[C@@H](C)C1CCCCC1	669944807	AXALQORWHWBXOZ-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
C1CCC(ON=C2CC[C@@H]2C2CC2)C1	814895588	ZVQROHGOQPFYLZ-LLVKDONJSA-N	193.290	3.122	30	20	AGED	
C=C[C@@](C)(CC)c1nnc(C(C)C)o1	1327332699	WMTXDQMYLODKGF-NSHDSACASA-N	194.278	3.047	30	20	AGED	
C=CCNc1cccc(Cl)c1F	50521810	ZUBLSKSXORKNQR-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C=C(CC)CNc1ccccc1C	85057224	YSDAFMRIWZEDOY-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCC[C@@H](C)C1	126885464	CZBBYUQGUBYUQY-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN[C@H]1CCC(C)(C)C[C@@H]1C	160650619	WPNXMFXJTAPQEN-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)CC(C)(C)C	384962143	SHKAANYUOIRIMJ-MNOVXSKESA-N	183.339	3.365	30	20	AGED	
CCCNN=C[C@H]1CCCC(C)(C)C1	752728394	ZYAFMVPNBXHLTG-NSHDSACASA-N	196.338	3.188	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@H](C)[C@@H]1C	790183866	WLAUKHFFEHEQAT-DCAQKATOSA-N	196.338	3.187	30	20	AGED	
C=CC(C)(C)CCOC(=O)C(C)(C)C	851299048	XAMZHGHGBUDPHI-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
C=CCCCCC[C@@H](C)NCC	70743904	WQSZGYSQTNGJDJ-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
CC[C@H](C#N)S[C@H](C)C(C)C	232039607	ZRVRVUZRTOYQFK-RKDXNWHRSA-N	171.309	3.066	30	20	AGED	
CC(C)[C@@H](C)S[C@@H](C)CCC#N	591128589	WCKDVFOZQSUCDK-VHSXEESVSA-N	185.336	3.456	30	20	AGED	
C=C[C@@H]1CCCCN1CC1(C)CCC1	645004632	SMGWYYYTZUONEZ-GFCCVEGCSA-N	193.334	3.217	30	20	AGED	
C=CCCCOC(=O)/C(C)=C(/C)CC	780219739	NOKHXIVXOBJRRP-KHPPLWFESA-N	196.290	3.242	30	20	AGED	
C=CCCCCOC(=O)C[C@@H](C)CC	811011043	LQASRRFSRSQRTL-NSHDSACASA-N	198.306	3.322	30	20	AGED	
C=CC[C@H]1CCCN(C/C=C/Cl)C1	852410193	JMOFGJONEUZOIU-ZPMKCOPCSA-N	199.725	3.027	30	20	AGED	
C=C(Cl)CN1CCC[C@H]1CCC	1176782703	MPTNMGKASBEUMH-SNVBAGLBSA-N	187.714	3.003	30	20	AGED	
CC[C@H](C)C[C@@H](S)CC	20476606	PEJZBJJDCQBUDH-YUMQZZPRSA-N	146.299	3.131	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)CC1CCC1	161644110	OUFJIJQGFADBEJ-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
CC[C@@H](C)NN=C1CCC[C@H]1C(C)C	790187785	HJFSVIALHNIWOS-MNOVXSKESA-N	196.338	3.187	30	20	AGED	
CCCC[C@H](CC)CN(CC)CC#N	45061812	UAIMPIKLDKBZDR-LBPRGKRZSA-N	196.338	3.048	30	20	AGED	
C=CCC[C@H](C)N[C@@H](C)[C@@H](C)CC	126672156	VNPMCEIDHVOADI-SRVKXCTJSA-N	183.339	3.365	30	20	AGED	
C=CCCN[C@H]1CCC[C@@H](C2CC2)C1	168561346	WXPLFBSEDODPSB-OLZOCXBDSA-N	193.334	3.121	30	20	AGED	
C=C1CCN(CCC(C)(C)C)CC1	306524993	OXDMXGRBXNANIS-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CC(C)[C@]1(C=O)CCC[C@@H](C)C1	307566758	OSROWDRCQAAVTJ-GHMZBOCLSA-N	168.280	3.038	30	20	AGED	
C=CCCC[C@H](C)NCCC(C)C	308229451	GBCFHGRFQFMQHP-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C[C@H]1CC[C@H](C=NOCCC2CC2)C1	814245253	NRGHDXFAGXUVQI-JQWIXIFHSA-N	195.306	3.225	30	20	AGED	
C#C[C@@H](CC)N[C@@H](C)CCCCC=C	824363387	CTYXGQCZWPQIGN-STQMWFEESA-N	193.334	3.123	30	20	AGED	
CC(C)C[C@H](C)C=NOC(C)C	835002776	OEOOBJTWPWPRGN-JTQLQIEISA-N	171.284	3.079	30	20	AGED	
Cc1ccc(SCCC#N)cc1C	19847657	KMMWNBUTIATTPO-UHFFFAOYSA-N	191.299	3.309	30	20	AGED	
C=C[C@@H](C)N[C@@H]1CCCC(C)(C)C1	157432968	SGZTZQGZSWLBAW-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
CCCCCCCNC[C@H]1C[C@H]1C	166828775	WCVAQJVSSOSXPY-VXGBXAGGSA-N	183.339	3.202	30	20	AGED	
C[C@H]1CCC[C@@]1(C=O)CC1CCC1	307394265	CSPUDNWPVVSZTD-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
CC(C)CON=C1CCC[C@H](C)C1	308152178	OZBJCEZLJVXQSL-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=CCC[C@H](N[C@H](C)C1CC1)C1CC1	379620264	DLBFIAHSXDJPOZ-MFKMUULPSA-N	193.334	3.119	30	20	AGED	
C=CCCC(C)(C)NC(=O)CCCC	620863558	ZQTSVFROHGEVNO-UHFFFAOYSA-N	197.322	3.038	30	20	AGED	
C=CC(=O)C1CCC(C(C)C)CC1	83944511	KRBLCRRSAKYYIT-UHFFFAOYSA-N	180.291	3.204	30	20	AGED	
C=C(Cl)CN(CC)c1ccccc1	308246810	WPBAZAYUUSYQAU-UHFFFAOYSA-N	195.693	3.265	30	20	AGED	
C=CCCCN(C)Cc1ccsc1	308283601	ZAWBQCRKSZJZLP-UHFFFAOYSA-N	195.331	3.146	30	20	AGED	
C=C(C)CCN1CC[C@@](C)(CC)C1	308504849	YQIQARJRUAKSDM-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CCCC(CC)=NNC(CC)CC	379397609	DWBOVZDLJLQFTI-UHFFFAOYSA-N	184.327	3.331	30	20	AGED	
CCC(=NOC1CCC1)C1CCC1	834980069	UOAKOHGAVBNMFK-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
CC(C)ON=C/C=C\c1ccccc1	835004218	OPYWXZOQTCPBKB-NBBFJZPZSA-N	189.258	3.111	30	20	AGED	
C[C@H]1CCCC[C@@H]1CON=C1CCC1	853669664	LQIJQTNMFBEGEJ-WDEREUQCSA-N	195.306	3.369	30	20	AGED	
C=C(C)CNc1nc(C(C)C)cs1	307513061	NHCNVVLCDIDZQG-UHFFFAOYSA-N	196.319	3.255	30	20	AGED	
C=CCC[C@@H](CC)NC[C@H]1CC1(C)C	389210144	IEECXCAWDMUOBB-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C[C@@H]1CCCC[C@@H]1SCCC#N	600555205	IHGZFWRMRNFWSW-ZJUUUORDSA-N	183.320	3.212	30	20	AGED	
C=CCCCOC(=O)C[C@H](C)CCC	735534405	LAKDSRQXFAVUKI-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
CC(C)CON=C1CC[C@H](C)C[C@@H]1C	783857189	WJHAHKWGTPJRFK-QWRGUYRKSA-N	197.322	3.471	30	20	AGED	
CC1(C)CCC1=NNC1CCCCC1	789051715	WIGXBLZSDQAILJ-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C=C(C)c1cccc([C@@H](O)CC)c1	844236113	RZCVCPVDIVSXAV-LBPRGKRZSA-N	176.259	3.163	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)CCCC	157287931	JPXPHFAXJVTQRE-QWRGUYRKSA-N	169.312	3.119	30	20	AGED	
C=CC[C@H](C)NC[C@@H]1CCC[C@@H](C)C1	161242901	HDCQXFMGUJWOLF-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
C[C@H]1CC[C@](C=O)(C2CCCC2)C1	306197702	OHRUWUDAJIABOP-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
CC(C)[C@@]1(C=O)CCC[C@@H](C)C1	307566759	OSROWDRCQAAVTJ-MNOVXSKESA-N	168.280	3.038	30	20	AGED	
CCCNN=C1CCC[C@@H](C(C)C)C1	794494245	RRKSHJPLRTXLNC-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
CC(C)C[C@H](C)C=NNC1CCCC1	799112650	UKQOXIUXZUPKDQ-NSHDSACASA-N	196.338	3.187	30	20	AGED	
C=CCN[C@H](C)c1cc(C)sc1C	20084883	NJPNBOYEWTZDOZ-SECBINFHSA-N	195.331	3.202	30	20	AGED	
CCN(CC)CCCCC(C)(C)C#N	233456850	SRLLROSNSQHJEF-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CCS[C@H](CC)CCC	307527135	KGABPKBNJSUSHY-SECBINFHSA-N	158.310	3.484	30	20	AGED	
C=CCCC[C@H](C)N[C@H](C)C1CC1	308278048	VYNQUCFVZRECSY-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C=CCN(CC)[C@@H]1CCCC[C@H]1C	308475846	LWWBPGQYFPPALW-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCON=C1CCCC12CCCC2	382158511	SAHSHVFONHTJGJ-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
C=CCCCN(C1CC1)[C@@H](C)C1CC1	605149884	KPNBYGNNOWQACF-NSHDSACASA-N	193.334	3.216	30	20	AGED	
C=CCCCC(=O)OCCC1CCC1	783445076	RSGZEBSOJGPEKR-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC(=NNC1CCCCC1)C1CCC1	786042599	ZSKSXZSYOWYVIW-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC(C)(C)c1ccc([C@]2(C)CO2)cc1	19729127	SGOJRJMVDKSOMA-ZDUSSCGKSA-N	190.286	3.230	30	20	AGED	
C=CCCC[C@@H](O)c1ccc(F)cc1	70593630	ZJHVYBAXASUXFQ-GFCCVEGCSA-N	194.249	3.215	30	20	AGED	
C=C(Cl)CN[C@@H](CC)CCCC	161740788	SRBIBXIECRZOQY-JTQLQIEISA-N	189.730	3.297	30	20	AGED	
N#CCCSCCCC1CCC1	594903764	QOJDIZWYDWSVIZ-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CCCN(c1ccccc1)C(C)C	606897065	LVCMBXALEKDGMQ-UHFFFAOYSA-N	189.302	3.478	30	20	AGED	
CC[C@H](C)NN=C1CC[C@@H](C)[C@H](C)C1	790182021	HPVOZGFRWWMNNL-MXWKQRLJSA-N	196.338	3.187	30	20	AGED	
CCCON=C1CCC[C@H](C2CC2)C1	842556605	JYRVIRYTZCYPSM-NSHDSACASA-N	195.306	3.369	30	20	AGED	
CC[C@@H](C)CC=NOC(C)(C)C	1117783029	UFLPEDKQOJKPIC-SECBINFHSA-N	171.284	3.224	30	20	AGED	
CC[C@@H](C#N)Sc1ccc(C)cc1	43557483	WOXTWJRCGGGXBX-JTQLQIEISA-N	191.299	3.389	30	20	AGED	
CON=C[C@H](c1ccccc1)C(C)C	794489668	ZMZYHHPCFGOWMK-LBPRGKRZSA-N	191.274	3.058	30	20	AGED	
CC(C)[C@@H](S)c1cccs1	42330427	ZUYCKRNUESHWAI-MRVPVSSYSA-N	172.318	3.375	30	20	AGED	
C=CCCN[C@H](C)c1ccc(F)cc1	70591980	GCKGTHOKIIJYIO-SNVBAGLBSA-N	193.265	3.052	30	20	AGED	
CC(C)CSCCC(C)(C)C#N	83640625	NQSUWMGRYRPPAV-UHFFFAOYSA-N	185.336	3.315	30	20	AGED	
C=C(C)CNCC(C(C)C)C(C)C	229550269	PXRWFNYCLJXMQU-UHFFFAOYSA-N	183.339	3.080	30	20	AGED	
C/C=C/CC1(C=O)CCCCCC1	306449644	AZWCXENRUPSQGT-NSCUHMNNSA-N	180.291	3.492	30	20	AGED	
C=C(C)CS[C@@H](C)C(C)C	306474963	PDNPPBPCJLYSDK-VIFPVBQESA-N	158.310	3.340	30	20	AGED	
C=C[C@H](C)Nc1ncc(C(C)C)s1	306633234	QRVVLMVMXQQUOL-QMMMGPOBSA-N	196.319	3.253	30	20	AGED	
CCCC[C@@H]1CCCC1=NOCC	308233701	PYHJOKCIRCFHNS-SNVBAGLBSA-N	183.295	3.369	30	20	AGED	
C[C@@H]1CCCC(=NOC(C)(C)C)C1	308308127	PKLFGJSMVSAUJA-SECBINFHSA-N	183.295	3.368	30	20	AGED	
C=CC(C)(C)CNCCC(C)(C)C	384909088	CWUGLBZLOXITEO-UHFFFAOYSA-N	183.339	3.224	30	20	AGED	
C=CCCCCSCCCOC	591389781	JEIVNBYICBCZQC-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
C=CCCCN(C)C1CCC(C)CC1	605149671	PEPWWNWWBKXCOX-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
CC(C)C[C@@H](C)Cn1ccc(C#N)c1	619622582	UDMFRJMITJQDEK-LLVKDONJSA-N	190.290	3.042	30	20	AGED	
C=C(CC)CN(C)[C@@H]1CCC[C@@H](C)C1	678623299	NGWDXJNQENQISR-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=CCN(CC(=C)Cl)C(C)(C)C	852553940	WQDUYHHGAJKDBI-UHFFFAOYSA-N	187.714	3.025	30	20	AGED	
CCCSc1cccc(F)c1C#N	86477262	HSABWVBJTPIOTN-UHFFFAOYSA-N	195.262	3.199	30	20	AGED	
C[C@H]1CC[C@@](C=O)(CC2CCC2)C1	306636731	BCXPLIPCWOJKFD-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
C=CCC1(C(=O)O[C@H](C)CC)CCC1	791558654	QTWLFENIGOYXTK-SNVBAGLBSA-N	196.290	3.075	30	20	AGED	
C[C@@H]1CCC(=NOC2CCC2)C[C@H]1C	812236442	MGWBZWCLHFXYSB-NXEZZACHSA-N	195.306	3.368	30	20	AGED	
C=CCN[C@@H](c1ccccc1)C(C)C	35046573	ZHKQVQOJDAYSIA-CYBMUJFWSA-N	189.302	3.159	30	20	AGED	
C=C(C)CNCc1cccc(Cl)c1	49773019	JOFSQRLERYCVMW-UHFFFAOYSA-N	195.693	3.006	30	20	AGED	
C[C@H](C#N)Sc1cccc(Cl)c1	54185551	RFTGWQZXLAROSE-SSDOTTSWSA-N	197.690	3.344	30	20	AGED	
C=C(C)c1cccc(N2CCCC2)c1	114215124	RYTCUXGWXJKAEB-UHFFFAOYSA-N	187.286	3.320	30	20	AGED	
C=C(C)CN(C)c1cccc(C)c1	306210606	IWSUTUKFHIANKX-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
C=C1CCN([C@@H](C)CC(C)C)CC1	306220784	OOEVNMFZQDXPMH-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
CCCCCCCN[C@@H]1CC[C@H]1C	308163629	YFRXROBDSBCNIY-VXGBXAGGSA-N	183.339	3.345	30	20	AGED	
C=CCCS[C@H](C)c1ncc(C)o1	308316286	VQTBUMYWEIBAFR-SECBINFHSA-N	197.303	3.353	30	20	AGED	
N#Cc1cccc(NCC2=CCCC2)c1	401119782	NUHWZFPIUAAYDJ-UHFFFAOYSA-N	198.269	3.080	30	20	AGED	
Fc1ccccc1NN=C1CCCC1	812459114	REWPLMXEBHWVEV-UHFFFAOYSA-N	192.237	3.168	30	20	AGED	
CC[C@H](C)CC=NOC/C=C\Cl	834980230	VRICAYXTGWBYRP-NKLXOWJUSA-N	189.686	3.178	30	20	AGED	
C=C[C@@H](C)ON=C(C)CC(C)(C)C	844620767	PFVAXKQLFZTONC-SNVBAGLBSA-N	183.295	3.390	30	20	AGED	
CC(C)CON=C1CCC(C)(C)C1	379405666	UPTMNOYRZLAHED-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=C(C)CCN(C)c1ccc(F)cc1	681399886	SZCXLZUNXKREGE-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
CC1=CC(=NNCCC(C)(C)C)CC1	782906896	GIEXQUAVQCUXPC-UHFFFAOYSA-N	194.322	3.108	30	20	AGED	
CC[C@H](C)CON=C1CC[C@H]1C1CC1	814938871	XEBFKLUNIXTKRQ-ONGXEEELSA-N	195.306	3.225	30	20	AGED	
C=C(CC)CNc1ncccc1Cl	307468145	QVMXFNZTZRVMKO-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=C(CC)CNCc1ccsc1C	313484050	NZXAKTAWSHYAAG-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
C=CCCCC[C@H](C)N[C@@H](C)CF	648589127	SBORIJINOXILDU-QWRGUYRKSA-N	187.302	3.069	30	20	AGED	
CCC(CC)NN=C1CCC[C@@H](C)C1	734366039	CFKAFWPCNDVWTJ-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
CCCCCCCOC(=O)[C@H]1C[C@@H]1C	769141790	SYHHFYBDBOYQGU-QWRGUYRKSA-N	198.306	3.156	30	20	AGED	
C[C@H]1CCCC(=NOCCC2CC2)C1	814246383	KCGJMUINFPWFQO-JTQLQIEISA-N	195.306	3.369	30	20	AGED	
C=CCON=C[C@H]1CCCC(C)(C)C1	835013290	PQIZLHUCWVNMRR-NSHDSACASA-N	195.306	3.391	30	20	AGED	
C=C(C)CN[C@@H]1CCC(C)(C)C[C@@H]1C	160650876	WPNXMFXJTAPQEN-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C[C@@H]1CCC[C@@H](C(C)(C)C=O)C1	217765395	HYIDZHMLXWTZCC-NXEZZACHSA-N	168.280	3.038	30	20	AGED	
CCCNN=C1CCCCCCC1	307710377	PMMVRUFRBPPOAC-UHFFFAOYSA-N	182.311	3.086	30	20	AGED	
CCC(CC)NN=C1CC2(CCC2)C1	772845815	UFMUMMFRYKRYIB-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C#CCCSc1ccc(C)cc1	38434135	IFJHALAYJRQIGE-UHFFFAOYSA-N	176.284	3.110	30	20	AGED	
C=C(C)CNc1ccc(F)c(CC)c1	307263841	WNHUMQKNJXBDFU-UHFFFAOYSA-N	193.265	3.376	30	20	AGED	
CC[C@@H](C)CSCC1(C#N)CC1	307945762	IRFQZBZRAYYIFM-SECBINFHSA-N	183.320	3.069	30	20	AGED	
C[C@H]1CCCC[C@@H]1CSCCC#N	594904032	ZXXUTESGGHDHFL-WDEREUQCSA-N	197.347	3.460	30	20	AGED	
C=CCCCCCONC(=N)CCC	783030136	UAFUMYMWICDBQI-UHFFFAOYSA-N	198.310	3.031	30	20	AGED	
C#Cc1cccc(N[C@@H](C)C(C)C)c1	19876922	YZIFSVRJYDQELB-NSHDSACASA-N	187.286	3.124	30	20	AGED	
C=C(C)c1ccccc1OCC	82762044	JYNBUDDTBGUJDJ-UHFFFAOYSA-N	162.232	3.118	30	20	AGED	
C=CCCN(C)CCCC1CCCC1	682435573	ZAEOPPIJWXCARB-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCCCOC(=O)C1(CCC)CC1	761241110	KIPOSRWLCVCHPD-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CCC(CC)CNN=C1CCC[C@@H]1C	774476159	DAEKYMJTIZSQGP-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CC[C@H]1CCCC(=NN[C@H](C)CC)C1	790189030	MLHHBOBNHKIPAY-MNOVXSKESA-N	196.338	3.331	30	20	AGED	
CCCCCCCNCC1(C)CC1	226373022	XSDZMXFXUCCGBH-UHFFFAOYSA-N	183.339	3.347	30	20	AGED	
C=CC(C)(C)CNc1ccncc1C	306671460	YXKQXEZQKKAZGR-UHFFFAOYSA-N	190.290	3.014	30	20	AGED	
C=CCCSc1nccn1C(C)C	308171486	ZRCULPBEVHBFND-UHFFFAOYSA-N	196.319	3.132	30	20	AGED	
C=CCC[C@H](CC)NC/C=C/C1CC1	378862876	UMNYPZHIYVBVIJ-YBJDMEARSA-N	193.334	3.287	30	20	AGED	
C=C[C@H]1CCCCN1CCCCC	388274835	IORQMMVYGXWHKY-LBPRGKRZSA-N	181.323	3.217	30	20	AGED	
C=C(C)CCN[C@@H]1CCC(C)(C)C1	128984316	WYOCGYCMIJRJHS-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CC(C)[C@H]1CCC[C@@H](S)C1	231006291	QPZKBFKNTOOXQX-DTWKUNHWSA-N	158.310	3.131	30	20	AGED	
C=C(C)CN(CC)[C@@H](C)CCC	307957515	SFGIYIMXTSYIJV-NSHDSACASA-N	169.312	3.073	30	20	AGED	
C=CCCCCC[C@@H](C)NC1CC1	308226193	DUJVABMXXYWSGP-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=CC[C@H](CC)NC1CC(C)(C)C1	379382918	FSPPCKCMDVXDRM-JTQLQIEISA-N	181.323	3.119	30	20	AGED	
CC[C@@H]1CCCC[C@@H]1[C@H]1C[C@H]1C=O	521400250	HFVCLAQVAWZUQZ-RHYQMDGZSA-N	180.291	3.038	30	20	AGED	
C=C(C)CSCC[C@H]1CCCC1=O	600623408	PEMDPUBXUDUXBV-SNVBAGLBSA-N	198.331	3.055	30	20	AGED	
C=CCC[C@@H](C)NC1CC2(CCC2)C1	652052083	ZZLUIYQWSJIZES-LLVKDONJSA-N	193.334	3.263	30	20	AGED	
CC1=CC(=NOCCC2CC2)CCC1	814245136	JSEYRUZBKKYFDF-UHFFFAOYSA-N	193.290	3.289	30	20	AGED	
C=CCON=C1CCCC[C@@H]1CC	835013701	WSQJCVRSMYZRDC-JTQLQIEISA-N	181.279	3.145	30	20	AGED	
CCCON=CCC1CCCCC1	842550845	LKBSZXGOLACCSN-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=CCCN[C@@H]1CCC[C@@H](C2CC2)C1	168561255	WXPLFBSEDODPSB-CHWSQXEVSA-N	193.334	3.121	30	20	AGED	
C=CCN[C@@H]1CCC[C@@H]1CCC(C)C	308498229	FFOOHXMHGRGFOF-CHWSQXEVSA-N	195.350	3.367	30	20	AGED	
C#Cc1cccc(NCC/C=C\CC)c1	309213625	TXXXOPGVXMIABA-WAYWQWQTSA-N	199.297	3.436	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CCC1(C)C	388616844	AYACYNINJHBSJA-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
CC(CC1CCC1)=NNC1CCCC1	758369705	IVXNFUOJDKHNGW-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C=C[C@H](C)ON=C[C@H]1CCCC[C@H]1C	844622404	YUEZEGRQWLAKFJ-GRYCIOLGSA-N	195.306	3.390	30	20	AGED	
C=CCC[C@H](NC/C=C/Cl)C1CC1	903443361	GRWZWMDQYXXNEY-VUQUXZKVSA-N	199.725	3.073	30	20	AGED	
C=C(C)COC(=O)[C@@H](CC)CCCC	919223051	NIIYYCFRVFRWEI-NSHDSACASA-N	198.306	3.322	30	20	AGED	
CC(=O)C=Cc1c(F)cccc1Cl	1857776792	VZRBDBXFAKDNDJ-UHFFFAOYSA-N	198.624	3.081	30	20	AGED	
C=C(CC)CN[C@H](C)c1ccc(C)o1	85057731	GGFGNJCCKCYNPK-LLVKDONJSA-N	193.290	3.205	30	20	AGED	
C=CCC[C@H](C)NC[C@@H]1CC[C@@H](C)C1	230403352	CQKNDLWYIZTULU-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CCC[C@@H]1C	306241735	MOHCWIVWHNPDOK-GARJFASQSA-N	168.280	3.038	30	20	AGED	
C=C(C)CCN1CCC[C@H](C)CC1	307546404	ZOMJQZUJBAHYMT-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CCCCCNc1ccncc1C	308479054	LQVQDRLLTOIXMF-UHFFFAOYSA-N	190.290	3.158	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@H]1C(C)C	308527857	RASGLXLWDWTHEY-QWHCGFSZSA-N	195.350	3.367	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1cc(C)c(C)o1	379668573	ZWJGFQFDKXGOMY-VHSXEESVSA-N	193.290	3.122	30	20	AGED	
C=CC[C@@H](CC)N[C@H]1CCC1(C)C	388616842	AYACYNINJHBSJA-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
CCC(C)(C)CCN(C)[C@@H](C)CC#N	610728957	ZOVIEFKKAUFYJP-NSHDSACASA-N	196.338	3.047	30	20	AGED	
CC(C)ON=C1CC[C@@H](C)C[C@@H]1C	835003343	SFNCUWXVCOCAQM-ZJUUUORDSA-N	183.295	3.224	30	20	AGED	
C=C(Cl)CNC1CCCCCC1	37488762	KQKNXTJFZIVHHG-UHFFFAOYSA-N	187.714	3.051	30	20	AGED	
CC[C@@H]1CCCC[C@@H]1CS	147838098	YWOXYIBCBPEJGY-RKDXNWHRSA-N	158.310	3.133	30	20	AGED	
C1CCC(=NOCCC2CC2)CC1	388279830	LPBPPEYOBFVYGU-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
CC[C@H](C#N)SCCCC(C)C	388423787	JCCSVHWHFRDXEP-SNVBAGLBSA-N	185.336	3.458	30	20	AGED	
C=CCN(C)[C@@H](C)c1ccccc1F	613465258	WBIGYHUBZBQZAU-JTQLQIEISA-N	193.265	3.005	30	20	AGED	
CC(C)CON=C1CC[C@@H](C)C[C@H]1C	783857187	WJHAHKWGTPJRFK-GHMZBOCLSA-N	197.322	3.471	30	20	AGED	
C=C(C)CNC(C)(C)CC(C)(C)C	51753560	USGSZBXZYFKEEI-UHFFFAOYSA-N	183.339	3.367	30	20	AGED	
C=C(Cl)C[C@@H]1CCCC[C@]1(C)O	104836921	HXNYGWJFNJYFNG-UWVGGRQHSA-N	188.698	3.070	30	20	AGED	
CCC(CC)S[C@H](C#N)CC	307890089	YOOJPWLYVPACFF-VIFPVBQESA-N	171.309	3.210	30	20	AGED	
C=CCS[C@@H](C)c1cccnc1	388479884	TZEQALGUKOWKFK-VIFPVBQESA-N	179.288	3.062	30	20	AGED	
C=CCCCCN1C[C@H]2CCC[C@H]2C1	649349190	NNZGRHMFLGOVGR-BETUJISGSA-N	193.334	3.075	30	20	AGED	
CC[C@H](C)CON=C(C(C)C)C1CC1	793164029	QGEUSQZSUFBOCD-JTQLQIEISA-N	197.322	3.471	30	20	AGED	
C1CCC(ON=C2C[C@H]3CC[C@H]2C3)C1	814895587	ZSVQKZOYYXEXLB-UWVGGRQHSA-N	193.290	3.122	30	20	AGED	
Cc1ccc(S[C@@H](C)C#N)s1	830037475	QTNMGKUSKLAAOT-ZETCQYMHSA-N	183.301	3.061	30	20	AGED	
CCCCNc1cc(C#N)ccc1C	50429552	RPKNAMKTYAZPTM-UHFFFAOYSA-N	188.274	3.079	30	20	AGED	
C#CCCCN(CC(C)C)CC(C)C	161090654	OUGOTKXXLVVJGT-UHFFFAOYSA-N	195.350	3.014	30	20	AGED	
CC[C@](C)(C=O)[C@@H]1CCC[C@H](C)C1	307152599	YQRCXJOSYWSYFF-QJPTWQEYSA-N	182.307	3.428	30	20	AGED	
C=CCCN[C@H]1CCCC12CCCC2	392818415	FJNIYELFZLNGBL-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
C=CCCCCCN1C[C@@H](C)[C@@H](C)C1	683783288	RYDMXHDJFOGAMU-BETUJISGSA-N	195.350	3.321	30	20	AGED	
Cc1cc(CON=C2CCC2)cs1	1119344424	MDEJRZJYRBMOHO-UHFFFAOYSA-N	195.287	3.113	30	20	AGED	
N#Cc1ccccc1-c1ccsc1	4299212	RBMVUEABIZEVKO-UHFFFAOYSA-N	185.251	3.287	30	20	AGED	
N#CCCCSCC1CCCC1	62836023	SLHDQZGAWVYGKI-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=C(Cl)CN(C)[C@H](C)CCCC	308029811	ILRCXRMJFBBWSM-SNVBAGLBSA-N	189.730	3.249	30	20	AGED	
C=CC[C@@H](CC)Nc1cccc(C)n1	308541736	UWJGMLDTJAEUBQ-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
C=CCCC(C)=NOC/C=C/Cl	379324078	VYQNEWNPVKNOPP-HOABGUFQSA-N	187.670	3.098	30	20	AGED	
C=CCCCCCN1C[C@@H](C)C[C@H]1C	683782227	QWRUWSCQXMGIRW-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C[C@@H](C=NOCCC1CC1)C(C)(C)C	814246582	SVIAJAFPKBBKFK-JTQLQIEISA-N	197.322	3.471	30	20	AGED	
C=C(C)CON=C1CC[C@H]1C1CCC1	844620499	WIXNZBNYYHRAJL-NSHDSACASA-N	193.290	3.145	30	20	AGED	
CCC[C@@H](C)[C@H](CC)NCCCC#N	308752550	UXQVJZQCRMDUCC-NEPJUHHUSA-N	196.338	3.095	30	20	AGED	
C=CCN(CC=C)CCC=C(C)C	659838650	OCOHVBBNOGNPOL-UHFFFAOYSA-N	179.307	3.017	30	20	AGED	
C=CCCCN(CC1CC1)C1CCC1	684628116	JBXITVCVHNJKMC-UHFFFAOYSA-N	193.334	3.217	30	20	AGED	
CC[C@@H]1CCC1=NNC1CCCCC1	807983645	SSKFFAJEZJVYOP-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C=CCCC(=NOC(C)C)C1CC1	835001263	XEGQQLZCRKGKPC-UHFFFAOYSA-N	181.279	3.144	30	20	AGED	
C=C(C)CSCc1ccccc1	34583058	VLHHDQFPXFJJAP-UHFFFAOYSA-N	178.300	3.496	30	20	AGED	
CCCCCCCC[S@](=O)CC	146777226	OBEZKSPNIWCNFE-LBPRGKRZSA-N	190.352	3.116	30	20	AGED	
C=C[C@@H](C)N[C@@H](CC)c1cccs1	157243819	BNUPTOUKFQGJFU-ZJUUUORDSA-N	195.331	3.363	30	20	AGED	
C=CCCSCc1ccc(F)cn1	393590005	LSIANZZUJAKVNH-UHFFFAOYSA-N	197.278	3.030	30	20	AGED	
CC1(C)CCC[C@H]([C@H]2C[C@@H]2C=O)C1	521401347	XLFWBVNWIBODHU-HBNTYKKESA-N	180.291	3.038	30	20	AGED	
C=CCCCN(C)[C@@H]1CCC[C@H](C)C1	605149948	UNDDFHXZNCODBL-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=CCN(CC=C)C[C@@H](C)C(C)(C)C	670261520	OQYQCIYYNFZSKS-GFCCVEGCSA-N	195.350	3.343	30	20	AGED	
C=CCCCCCN(C)CC1(C)CC1	683830862	XMYXBNTXOQVDFY-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C(CC)COc1cc(F)ccc1F	379583742	NNBITRBAHNTIBJ-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
CC(C)CON=C[C@@H]1CC=CCC1	388602558	SNNWHKDGRNEGRA-LLVKDONJSA-N	181.279	3.001	30	20	AGED	
C=C(C)CSc1nccn1C(C)C	388799460	OFUDKEDWHVPSAD-UHFFFAOYSA-N	196.319	3.132	30	20	AGED	
C=C(C)CN1CCC[C@@H](C(C)C)CC1	604055210	VLFDOEMMPJVNEX-CYBMUJFWSA-N	195.350	3.321	30	20	AGED	
C=CCCC(CCC)=NN[C@@H](C)CC	814913624	RLKOBPNHFMASHF-NSHDSACASA-N	196.338	3.497	30	20	AGED	
C#CCCCSCCCCC=C	842177762	JEOHHJXGVUMHPK-UHFFFAOYSA-N	182.332	3.489	30	20	AGED	
C=CCNc1cccc2ccccc12	1597859	QEICZKYUGPYBEM-UHFFFAOYSA-N	183.254	3.438	30	20	AGED	
C=C(C)CCSc1ccccc1O	168000647	VLRZFJZHBQUCPS-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C[C@H]1CC(=NOCC2CC2)CC[C@H]1C	814244309	MVTDDBMTSMQNJA-ZJUUUORDSA-N	195.306	3.225	30	20	AGED	
C1CCC(ON=C2CC[C@H]3C[C@@H]23)CC1	872365873	IGHLGIZMZLQZIS-GXSJLCMTSA-N	193.290	3.122	30	20	AGED	
C=C(CC)CN1CCC(CCC)CC1	1341716393	WRLPKRMDMVYHRD-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
N#Cc1ccc(O[C@H]2C=CCCC2)cc1	169083832	YHYYVQYAZCSALF-LBPRGKRZSA-N	199.253	3.046	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CC[C@H]1CC	378860806	PRFBOHLNUAROBV-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H](C)[C@@H](C)N[C@H](CC)C1CC1	658236199	USGOINSJHLMTMJ-DMDPSCGWSA-N	195.350	3.365	30	20	AGED	
C=CCCCN1CCC(CC)(CC)C1	674869564	IOKBAWXDRBWUSC-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC(C)CNN=C1CCC(C)(C)CC1	771558096	UODRPKDRIBGUFZ-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
CCCNN=C[C@H]1CCC[C@@H](CC)C1	783827000	MVWHRNYHPLOXEN-NEPJUHHUSA-N	196.338	3.188	30	20	AGED	
CC[C@H]1CCC1=NN[C@@H](C)C(C)(C)C	793115528	RLRUAEMUSLFJAU-UWVGGRQHSA-N	196.338	3.187	30	20	AGED	
C=CCC(C)(C)C(=O)OC/C(C)=C\C	842847345	WMVLHQJPLSSALL-YFHOEESVSA-N	196.290	3.098	30	20	AGED	
C[C@@H](CON=C1CCC1)C(C)(C)C	871733519	KCQYTINXSWONNX-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
C=C(C)CN(CC)[C@@H]1CCCC[C@@H]1C	678350373	VGECNBDOESWQTB-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
CCCON=C(C)c1ccccc1C	842565701	LNWNSKKCIUDHOY-UHFFFAOYSA-N	191.274	3.146	30	20	AGED	
C[C@@H](C=O)c1cccc2ccccc12	34241219	BBTNFBSDEIGSIG-JTQLQIEISA-N	184.238	3.142	30	20	AGED	
C=C(CC)CN1CCC[C@@H](C)[C@H]1C	306554983	KOZMDGZXJACEMZ-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CN1[C@@H](C)CC[C@H]1CC	379398499	UTYHQFSTFKTJOO-NWDGAFQWSA-N	181.323	3.216	30	20	AGED	
C=CCN1CC[C@H](C)[C@H]2CCCC[C@H]21	613416438	UTAMAFFRKANMGV-YNEHKIRRSA-N	193.334	3.073	30	20	AGED	
C=C(CC)COc1cc(C)nc(C)c1	681359805	RDLBNCNYAULILL-UHFFFAOYSA-N	191.274	3.043	30	20	AGED	
C[C@H]1CCC[C@@H](CON=C2CCC2)C1	781614257	LJSAZMOYDIBQIN-WDEREUQCSA-N	195.306	3.369	30	20	AGED	
C=C(C)CON=C1CCC(C)(C)C1	844618145	JBYCDUUBEBKUIZ-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C[C@H](CSCCC#N)C(C)(C)C	865370243	JYRKAKLMIVNFIU-SECBINFHSA-N	185.336	3.315	30	20	AGED	
C=C(CC)CN[C@H](C1CCC1)C1CC1	324966765	MFMPTBAYGRSWNZ-CYBMUJFWSA-N	193.334	3.121	30	20	AGED	
C=CCCCCCN(C1CC1)C1CC1	625842943	OKAODLQPLFIIEA-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
CC[C@H]1CCCC(=NN[C@@H](C)CC)C1	790189031	MLHHBOBNHKIPAY-QWRGUYRKSA-N	196.338	3.331	30	20	AGED	
C[C@H](S)c1nc2ccccc2s1	20476585	VFZFDZIAYYKNRX-LURJTMIESA-N	195.312	3.287	30	20	AGED	
C=CCCN[C@H]1CCC[C@@H](CC)C1	82847617	WNTPCAVMCINXAU-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1ccc(C)cc1	157293171	KOAXTTFYVMMDEH-VXGBXAGGSA-N	189.302	3.220	30	20	AGED	
C=C(C)CNCC1CCCCCC1	160318485	LPKZQKPJDAHRNH-UHFFFAOYSA-N	181.323	3.123	30	20	AGED	
C=C(C)C[C@@]1(C=O)CCC[C@H](C)C1	306328021	ZAIKYPZJQASUGS-RYUDHWBXSA-N	180.291	3.348	30	20	AGED	
CC[C@](C)(C=O)C1CCCCC1	306350062	VBHCZSACTTUJEB-LLVKDONJSA-N	168.280	3.182	30	20	AGED	
C=CC[C@H](CC)N[C@H](CC)[C@@H]1C[C@@H]1C	321750514	ATNQUEKSOOKOTN-WUHRBBMRSA-N	195.350	3.365	30	20	AGED	
C=CCN(CCC(C)(C)C)C(C)C	379405747	UUBOFYAQQAWVCR-UHFFFAOYSA-N	183.339	3.319	30	20	AGED	
C=C(C)CCSc1ncc(CC)[nH]1	388617334	DHCFWKFPLTUREV-UHFFFAOYSA-N	196.319	3.030	30	20	AGED	
C=C(C)CN1CCC=Cc2ccccc21	682436510	ZGKXXRVJSXSOJM-UHFFFAOYSA-N	199.297	3.486	30	20	AGED	
C=C(C)COC(=O)/C=C/C(=C/C)CC	767665775	RTNSIVKNKUBHEW-VAZWZHNFSA-N	194.274	3.018	30	20	AGED	
C=C(CC)COC(=O)C[C@@H](C)CCC	773502773	LYVUYONTWLBGKB-NSHDSACASA-N	198.306	3.322	30	20	AGED	
C=C(C)c1ccc(C)c(F)c1	60132651	JVYMGDPEWUFJTF-UHFFFAOYSA-N	150.196	3.167	30	20	AGED	
C=CCNc1c(C)cccc1Cl	85388487	XIUYGJQRJSNPGO-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
CC1=C(CC#N)c2cc(F)ccc2C1	261507033	DQMGSYZOEQVJSX-UHFFFAOYSA-N	187.217	3.069	30	20	AGED	
N#CC1(CSc2cccs2)CC1	306687743	LWLJQLDHXNGFEJ-UHFFFAOYSA-N	195.312	3.144	30	20	AGED	
C=CCCCCN[C@H]1CCC1(C)C	308132527	FZYINHGRXFYLHM-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C(=NOC1CCC1)C1CCCCC1	308330922	KQKSCKKPQRBALU-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=CCC[C@H](CC)NCCCCC#N	379654412	IZMAXXSTGCHKRW-LBPRGKRZSA-N	194.322	3.015	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCC(C)(C)C=C	648733035	MYWWDPGWCGHSJH-VXGBXAGGSA-N	195.350	3.389	30	20	AGED	
C=CCON=C(C)[C@H]1CCCC[C@@H]1C	835014568	IYCUAXSFCGMFKO-JQWIXIFHSA-N	195.306	3.391	30	20	AGED	
CCCON=C(CC)c1cccs1	842565963	QYXBKQVTWHMKGT-UHFFFAOYSA-N	197.303	3.289	30	20	AGED	
C#Cc1cccc(N[C@H]2CC[C@H](C)C2)c1	70747539	ITTMEEKGKNJAHQ-FZMZJTMJSA-N	199.297	3.268	30	20	AGED	
C=C(C)CN(CCCC)CCCC	78961379	TVWLAZWWRXODHE-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
Cc1cccc(CC[C@@H](C)S)c1	86895242	WEQAPYLKGQCUDL-SNVBAGLBSA-N	180.316	3.246	30	20	AGED	
CC(C)[C@@]1(C=O)CCCC[C@H]1C	306387081	YSVYBWFSXRFQFN-MNOVXSKESA-N	168.280	3.038	30	20	AGED	
CCC#C[C@@H](C)Sc1nccs1	306420772	XVDPULWOIXUCRH-MRVPVSSYSA-N	197.328	3.037	30	20	AGED	
CC(C)CON=C[C@H]1CC[C@@H](C)C1	308170811	ZLHKLWNRIKWKMD-MNOVXSKESA-N	183.295	3.081	30	20	AGED	
C=CCCCN(C)c1cccc(C)c1	605150385	QOFZHXOKCWPLHN-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
C=C[C@H](C)ON=C(C)c1ccsc1	844624669	MOJOGQSPEYXIPE-QMMMGPOBSA-N	195.287	3.063	30	20	AGED	
CC#CCNc1ccc(CCC)cc1	51663154	PRXCALIUKUYJPF-UHFFFAOYSA-N	187.286	3.074	30	20	AGED	
C#CCCCNc1ccccc1CC	161050990	HUUZEDWRGJRWJL-UHFFFAOYSA-N	187.286	3.074	30	20	AGED	
CCC[C@@H]1CCC[C@@]2(CC1)O[C@H]2C#N	306227126	WFYPMKHHNUXFIJ-WOPDTQHZSA-N	193.290	3.028	30	20	AGED	
C=CCN(C)c1ccc(C)c(Cl)c1	307188599	XHQWFIYSPJKICY-UHFFFAOYSA-N	195.693	3.271	30	20	AGED	
C=CC[C@H](C)NCc1ccsc1C	308209662	VVGFIXLZGLUJIT-VIFPVBQESA-N	195.331	3.111	30	20	AGED	
C=CCCCN1CC[C@H](C)[C@H]1CC	308430493	SYPJAPBXJWZMHK-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CC1(C)CCC([C@@H]2C[C@@H]2C=O)CC1	521401271	WELWMDVWYAOBPX-MNOVXSKESA-N	180.291	3.038	30	20	AGED	
CCC[C@@H](C)C(CC)=NNCC(C)C	771557662	JOYIWSYDBFRNBY-LLVKDONJSA-N	198.354	3.434	30	20	AGED	
C[C@H]1CC[C@@](C=O)(C2CCCC2)C1	306197701	OHRUWUDAJIABOP-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
C=C(C)CN1CCCC[C@H]1C(C)C	605000718	XLEWTNGUBFBVCH-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=CCC[C@H](C)N[C@H](C)[C@H](C)CC	126671465	VNPMCEIDHVOADI-GRYCIOLGSA-N	183.339	3.365	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	157303113	ZEQPLMIUBRWZOU-SRVKXCTJSA-N	195.350	3.365	30	20	AGED	
CC[C@H]1CCC[C@](C=O)(C(C)C)C1	307151165	VHONGCOYBIMYES-RYUDHWBXSA-N	182.307	3.428	30	20	AGED	
C=C[C@H](C)N[C@H](CC)[C@H](C)CCC	308208158	DRPROQSGFAQKNH-GRYCIOLGSA-N	183.339	3.365	30	20	AGED	
CCCC[C@@H](C)NCC(C)(C)CC#N	590970602	WTJDUTFSQDCQOV-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=CC[C@@H]1CCCN(C2CCCC2)C1	661381918	QCJZCJADGYLPLE-GFCCVEGCSA-N	193.334	3.217	30	20	AGED	
C[C@@H]1CC[C@@H](C=NOCCC2CC2)C1	814245255	NRGHDXFAGXUVQI-ZYHUDNBSSA-N	195.306	3.225	30	20	AGED	
CCC(=NOC(C)C)c1ccccc1	835004262	PHKSNDTWYJCVSQ-UHFFFAOYSA-N	191.274	3.226	30	20	AGED	
C=C(C)CON=C(CC)C1CCC1	844620142	QTXHQDGHAULLAG-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
CCC(=NOC)c1cc(C)ccc1C	863079380	LAULUTODIBHFPF-UHFFFAOYSA-N	191.274	3.064	30	20	AGED	
C=C(C)CCNc1ccccc1	126155202	NSLHITQOPPLJCR-UHFFFAOYSA-N	161.248	3.065	30	20	AGED	
C=CCC[C@@H](C)NCC1(C(C)C)CC1	230668224	JWYKEIPBQSIZJI-GFCCVEGCSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H](CC)NC1CCCCC1	308309820	QPMPMNAJPPCTIR-NSHDSACASA-N	181.323	3.263	30	20	AGED	
CC[C@@H](CC#N)NCCC(C)(C)CC	594008940	QNBBSXPHWQGXAM-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CCCCCCN1CC[C@@H](C)[C@@H]1C	683782099	JXHUDBZBJLJLHY-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C=CCCOC(=O)C[C@H](C)CC(C)C	729074414	ZODGXSVCIIVQTE-LLVKDONJSA-N	198.306	3.178	30	20	AGED	
C#C[C@@H](CC)N[C@H](C)CCCCC=C	824363385	CTYXGQCZWPQIGN-OLZOCXBDSA-N	193.334	3.123	30	20	AGED	
C=CCCCC[C@@H](C)NCCC	70744012	KUZBTDJBJJKGOW-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
C=CCC[C@@H](C)NC[C@@H]1CC=CCC1	126795543	DGQBSMJZCMJUMV-CHWSQXEVSA-N	193.334	3.287	30	20	AGED	
C=CCCCOc1cccc(F)c1F	230453328	ILJPLQYHGNPGBN-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
COc1ccc(N=[N+]=[N-])cc1Cl	238369595	ZHEPXEZVCUINMH-UHFFFAOYSA-N	183.598	3.290	30	20	AGED	
C=C(Cl)CN1CCC[C@@H]1C1CCC1	306294971	YNKFCIGQBZQCTD-LLVKDONJSA-N	199.725	3.003	30	20	AGED	
C=CCCCCNc1cc(C)ccn1	308513815	UBSDVQCKGXRYHJ-UHFFFAOYSA-N	190.290	3.158	30	20	AGED	
C=CCCCNC1[C@H](C)CCC[C@H]1C	308550801	QBLVYUIWVQJSAO-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](NCC1CCC1)C1CC1	308648373	IZCIFOWGHPTFKD-CYBMUJFWSA-N	193.334	3.121	30	20	AGED	
C=CCCOC(=O)C[C@@H](C)CC(C)C	729074415	ZODGXSVCIIVQTE-NSHDSACASA-N	198.306	3.178	30	20	AGED	
C[C@H]1CC[C@@H](C=NOCC2CCC2)C1	853440832	JWMDWCGGMGZPBX-CMPLNLGQSA-N	195.306	3.225	30	20	AGED	
C=CCCC(=O)OCCCCCC	81218355	TWRHMHIMOAVCGN-UHFFFAOYSA-N	184.279	3.076	30	20	AGED	
Cc1occc1SCCCCC#N	227551519	XZWZHIFDDDFFOY-UHFFFAOYSA-N	195.287	3.374	30	20	AGED	
C[C@H]1CCC[C@]1(C=O)C1CCCC1	306722719	FZGVULGLBDPXJV-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
CC#CCCSC/C(C)=C/Cl	307642376	LNJRMHXEGRYDSJ-VQHVLOKHSA-N	188.723	3.276	30	20	AGED	
C=CCCC[C@@H](C)N[C@H](C)CC	379336673	RWKIWERJDQPDEJ-GHMZBOCLSA-N	169.312	3.119	30	20	AGED	
CCCNN=C(C)[C@H]1CCCC[C@@H]1C	834940353	DQMIKPFWISJOPM-JQWIXIFHSA-N	196.338	3.188	30	20	AGED	
C=C(CC)COc1cccnc1Cl	85059231	RUPLWZYUFPFECO-UHFFFAOYSA-N	197.665	3.080	30	20	AGED	
C[C@@H](C=NOCC1CC1)C(C)(C)C	388233123	NHQDFEDGAKAROR-VIFPVBQESA-N	183.295	3.081	30	20	AGED	
C=C(C)CN(CC(C)C)C1CCCC1	621311833	LKLBJHYPGGLEGK-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
CCC(CC)CNN=C1CCCCC1	774469055	BIHCIVCLLJOWSZ-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CC1CC(C#N)(c2ccc(F)cc2)C1	70068580	PBEFEQBRDYCYMX-UHFFFAOYSA-N	189.233	3.017	30	20	AGED	
C=CCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2	255978949	ILBVQUHLUPWBGQ-YPMHNXCESA-N	193.334	3.073	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCC12CCCC2	308563266	GMOZBAASUYDOOC-NWDGAFQWSA-N	193.334	3.263	30	20	AGED	
C=CCC[C@@H](CC)NCC1CC=CC1	624076514	ZHNRYPAQAMRBTM-CYBMUJFWSA-N	193.334	3.287	30	20	AGED	
C=CCCCCN1CCC[C@H]1C1CC1	649284365	OQOSASTYELCCEO-ZDUSSCGKSA-N	193.334	3.217	30	20	AGED	
CCCCC(CC)=NNC1CCCC1	732924643	BLTFIHWSQDTRSF-UHFFFAOYSA-N	196.338	3.475	30	20	AGED	
C[C@H]1CCCC1=NN[C@@H](C)C(C)(C)C	793110941	DAISVDAQLVSYGE-UWVGGRQHSA-N	196.338	3.187	30	20	AGED	
C=CCON=C1CCCC[C@H]1CC=C	853355562	QPZFWHYZIAJWOX-LLVKDONJSA-N	193.290	3.311	30	20	AGED	
C[C@H](ON=C1CCC1)c1ccccc1	902713335	MJCJVGSBTAKRIM-JTQLQIEISA-N	189.258	3.304	30	20	AGED	
C#Cc1ccc(-c2cccs2)s1	33986127	BJOAUTVUGMZMHI-UHFFFAOYSA-N	190.292	3.458	30	20	AGED	
CCCCCCCNC(=O)C(C)(C)C	103847500	ZBTUAFGFGAWSRC-UHFFFAOYSA-N	199.338	3.119	30	20	AGED	
CCCNN=C(CCC)[C@@H]1CC1(C)C	841619875	SEDUDZSLKVPKQG-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
C=CCCCC[C@@H](C)NCC(C)C	379388525	JNKJKQJTJWMBRE-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC[C@H]1CC	379394465	XJODNUYOVQYNLF-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCN[C@@H]1CCCC12CCC2	394779565	YNDPXODJEBVACG-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
C=C(C)CN(C1CC1)[C@@H](C)[C@@H](C)CC	591475407	RSQGEIROJUYGPA-RYUDHWBXSA-N	195.350	3.462	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCCC(=C)C	648727237	PRMKUOVELDINLJ-NWDGAFQWSA-N	181.323	3.143	30	20	AGED	
C=CCCN[C@@H](C)[C@H](C)CCCC	658114740	QOXHXTBVVIOGIK-NEPJUHHUSA-N	183.339	3.367	30	20	AGED	
CCC(C=NNC1CCCCC1)CC	786042937	DHYFUWSGOYNQLW-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
C#CCON=C(C)CCCCCCC	812233100	MSEBUQGGORYCLJ-UHFFFAOYSA-N	195.306	3.373	30	20	AGED	
C#Cc1cccc(-c2cccc(F)c2)c1	98181095	NJSJTGCNUDXELG-UHFFFAOYSA-N	196.224	3.474	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCC[C@@H]1C	126872253	CQPUNMRILKQFHW-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)c1cccs1	157243514	BNUPTOUKFQGJFU-UWVGGRQHSA-N	195.331	3.363	30	20	AGED	
CCC(CC)NN=C1CCCCC1	379370978	HALHRHVSLHWJMH-UHFFFAOYSA-N	182.311	3.085	30	20	AGED	
C=CCCCS[C@H](C)CCOC	381842333	LTJFPQYSGMNWKX-SNVBAGLBSA-N	188.336	3.111	30	20	AGED	
C=C(C)CCN[C@@H]1CC[C@@H]1C1CCC1	648727779	NJBAMLICDDNZBE-CHWSQXEVSA-N	193.334	3.121	30	20	AGED	
C=CCON=CCC1CCCCC1	835014790	MTFKXIDRWJSKPB-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CCNc1cccc(SC)c1C	307085295	MEWQOLXKJILBHY-UHFFFAOYSA-N	193.315	3.315	30	20	AGED	
CCCCNN=C1CCCCCC1	308374697	RQYPXNRSKIKTEM-UHFFFAOYSA-N	182.311	3.086	30	20	AGED	
CC#CCCSCCC(C)C	379304119	RMUVWHBYXSMDIY-UHFFFAOYSA-N	170.321	3.179	30	20	AGED	
C=CCN(CC=C)C[C@H](C)C(C)(C)C	670261521	OQYQCIYYNFZSKS-LBPRGKRZSA-N	195.350	3.343	30	20	AGED	
C=CC(C)(C)c1nnc([C@@H](C)CC)o1	1118430087	LQCNGPKZHBFYGC-QMMMGPOBSA-N	194.278	3.047	30	20	AGED	
C#Cc1cccc(NC[C@H](C)CC)c1	20085198	VRAXAGRUTHDYBF-LLVKDONJSA-N	187.286	3.126	30	20	AGED	
C=CCCN[C@H](C)c1cccc(C)c1	88162238	CRMAPWSZEMUUOD-GFCCVEGCSA-N	189.302	3.222	30	20	AGED	
C=CCCCN(C)[C@@H](C)C1(C)CC1	379391170	PAOCLWNWKYFDAL-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=CC[C@H](C)N[C@H](C)CC(C)(C)C	384962147	SHKAANYUOIRIMJ-WDEREUQCSA-N	183.339	3.365	30	20	AGED	
CC[C@@H](C)CON=C(C)CC1CC1	388845371	ZGNQYWJMCIYPCC-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C=CCCN(C)[C@@H](C)c1ccccc1	606896513	WZYRZYMUBROZOH-LBPRGKRZSA-N	189.302	3.256	30	20	AGED	
C=CC[C@@H]1CCCC[C@@H]1NC1CCC1	657912279	AVVGRSTWKLFNRZ-YPMHNXCESA-N	193.334	3.263	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCC1=CCCC1	658292699	MEXCOHOOESXZTC-RYUDHWBXSA-N	193.334	3.287	30	20	AGED	
CCC(=NNC1CCCC1)C1CCC1	834954643	SELPSUPUZSBXOT-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC(CC1CCCC1)=NOC(C)C	834999977	JDKFMOMGURYJRQ-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C#Cc1cccc(N[C@@H]2CC[C@@H](C)C2)c1	70747541	ITTMEEKGKNJAHQ-BXUZGUMPSA-N	199.297	3.268	30	20	AGED	
C=C(C)c1ccc(COCC)cc1	165070131	NSTGVFHTKOXGGO-UHFFFAOYSA-N	176.259	3.256	30	20	AGED	
C=CCC[C@H](CC)NCC=C(C)C	308446084	BGBLPNKRJDXQDG-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C=C[C@@H](C)N[C@@H](CCC(C)C)C1CC1	308568443	ZRYCBGJZKIMBMD-YPMHNXCESA-N	195.350	3.365	30	20	AGED	
C#CCN[C@H](CCCCC)C(C)(C)C	379573426	IRVQORNGMLAAJY-GFCCVEGCSA-N	195.350	3.204	30	20	AGED	
C=C(CC)CN(C)[C@H]1CCC[C@H](C)C1	678623302	NGWDXJNQENQISR-STQMWFEESA-N	195.350	3.463	30	20	AGED	
CCCCCCC[C@H](C)CNC(C)=O	917872649	NRPRKQXGYHUZQY-NSHDSACASA-N	199.338	3.119	30	20	AGED	
CC#CCNc1ccc(C)cc1Cl	51663092	XOMAJKDKUPVFJU-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCC[C@H](C)NCCCC(C)C	126740758	BGEVXZWHKQVILW-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C[C@H]1C[C@@H](C(C)(C)C=O)CC[C@H]1C	306450285	CCYYZKPXGMNUCX-VWYCJHECSA-N	182.307	3.284	30	20	AGED	
C=CCCCCCN(CC)C(C)C	388306466	PVGCSHGGOYGXSZ-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
C=CCN(CC=C)CC/C=C/CC	393718301	UNPBRXXPCLYLBT-BQYQJAHWSA-N	179.307	3.017	30	20	AGED	
C=CC[C@H](CC)NC1CC2(CCC2)C1	656590880	LORMPKYPPRBVIZ-NSHDSACASA-N	193.334	3.263	30	20	AGED	
C=C(CC)COC(=O)C1CCCCC1	773431360	PDINVINORTXKPW-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CCCNN=C(C)C[C@@H](C)CC(C)C	779773383	OSZWDNDOUYEKQT-NSHDSACASA-N	198.354	3.434	30	20	AGED	
C=CCON=C1C[C@H](C)CC[C@@H]1C	835014614	JRVUXSRMDMSIHI-ZJUUUORDSA-N	181.279	3.001	30	20	AGED	
C=C(C)CON=C[C@H]1C[C@H]2CC[C@H]1C2	844618188	LCAWGSHPFJBZGF-SDDRHHMPSA-N	193.290	3.001	30	20	AGED	
CC(C)(C)c1ccc(CCC#N)cc1	36203906	YBASOBYKVCNWTN-UHFFFAOYSA-N	187.286	3.440	30	20	AGED	
C=CCC[C@@H](C)Nc1cnccc1C	96034341	IBHIUYYZHSWLGS-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
C=CCCCCCn1ccnc1CC	234130422	WPDGSCRGGGKBMW-UHFFFAOYSA-N	192.306	3.192	30	20	AGED	
C=CCC(C)(C)C(=O)O[C@@H](C)CCC	796461512	KBCKXDCPNBOVGG-JTQLQIEISA-N	198.306	3.321	30	20	AGED	
CCCNN=C1C[C@H](C)CC[C@@H]1CC	797401237	ABUAJRJLLWKEJE-MNOVXSKESA-N	196.338	3.188	30	20	AGED	
Cc1cc(C=NOC(C)C)c(C)s1	835001539	YDLJXQBDZRXDKA-UHFFFAOYSA-N	197.303	3.124	30	20	AGED	
C#CCCNc1ccc(CCC)cc1	70159586	SBHWVGMKTLBRRC-UHFFFAOYSA-N	187.286	3.074	30	20	AGED	
CCCC[C@H](CC)NCC(C)(C)C#N	164956891	CEPBIJXHOHJDKX-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=C(CC)C[C@@]1(C)CCC[C@]1(C)O	306404442	UBJWPGKHPUQJQD-NEPJUHHUSA-N	182.307	3.284	30	20	AGED	
C=CCCC[C@H](C)N[C@H]1CC[C@H]1C	308249276	GUPUYNDXLIFMJP-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=CCCCC(=O)Nc1ccsc1	379393510	UYGXSKUWTYVBFM-UHFFFAOYSA-N	195.287	3.043	30	20	AGED	
C=C(C)CCNCc1ccsc1C	386818154	FSHYANUVIPKCHT-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
C=CCSCc1nc(C)sc1C	388400238	NBNOYXHHELDKMZ-UHFFFAOYSA-N	199.344	3.179	30	20	AGED	
CCCCNN=C(C)CCC=C(C)C	749157954	LZZZKECAOBBJGJ-UHFFFAOYSA-N	196.338	3.498	30	20	AGED	
CC(CC1CCC1)=NOCC1CCC1	853440026	WQJSISHGZFCYKM-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=CCCSc1ncc(C)cc1C	657280914	RFOCSLNALZQJHI-UHFFFAOYSA-N	193.315	3.367	30	20	AGED	
CCCON=C(C)Cc1cccs1	842557613	POCMTIPHBHTKCK-UHFFFAOYSA-N	197.303	3.093	30	20	AGED	
C=CCC[C@H](CC)NC/C=C\Cl	898433372	NYGAVUHYSWDJJS-ZEBCKKTISA-N	187.714	3.073	30	20	AGED	
Cc1ccc(C(C)(C)C#N)cc1C	58518573	HEKMPSGNDAFZJR-UHFFFAOYSA-N	173.259	3.105	30	20	AGED	
C=CCCCCCNC1(C2CC2)CC1	379570837	HAWXWLPXSWWKLP-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=C(CC)COc1ccccc1OC	678611098	PNCLWEZIEAUTIL-UHFFFAOYSA-N	192.258	3.040	30	20	AGED	
CCCON=C1CC(C)(C)C[C@H]1C	842554897	RQZWCUROEJMOKG-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C=C(C)CON=C1CCC[C@H]1CC	844618845	KKIUFGZOHAQBJM-SNVBAGLBSA-N	181.279	3.145	30	20	AGED	
CC(C)c1ccc(SCC=O)cc1	19686077	SSYDHFHGQOMFCP-UHFFFAOYSA-N	194.299	3.101	30	20	AGED	
C#Cc1ccc(-c2cccs2)cc1	117234821	WMSFDLDOWAEXSP-UHFFFAOYSA-N	184.263	3.396	30	20	AGED	
C=CCN1CCCC[C@H]1CC(C)C	388683743	JIKLVHCIDGIZGU-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=C(CC)C[C@H]1CCCCC[C@@H]1O	85064605	KZMLIQNNNPTPBP-NEPJUHHUSA-N	182.307	3.284	30	20	AGED	
C#Cc1cccc(N[C@@H](C)CC2CC2)c1	132381089	WCUWGPWWTKHQDX-NSHDSACASA-N	199.297	3.268	30	20	AGED	
CC#CCSCCCC(C)C	307883412	SJRIGZUTFBXMQZ-UHFFFAOYSA-N	170.321	3.179	30	20	AGED	
C=CCCCN[C@H]1CCC[C@@H]1C(C)C	308527856	RASGLXLWDWTHEY-OLZOCXBDSA-N	195.350	3.367	30	20	AGED	
C=CC[C@@H](CC)NCCC(C)(C)C	388797717	NPZVBBLKOVJZKQ-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=C(CC)CN1CC[C@H](CC(C)C)C1	678624833	RHVSWBFTMMRLRD-CYBMUJFWSA-N	195.350	3.321	30	20	AGED	
C=CCNN=C1CCC[C@H]1CCCC	795003603	MHVYJTXLPPXZCY-LLVKDONJSA-N	194.322	3.108	30	20	AGED	
C[C@@H]1CC(=NOC2CCC2)C[C@H](C)C1	812235313	RVTXVVYPLRPABF-AOOOYVTPSA-N	195.306	3.368	30	20	AGED	
CCC(=NNC(CC)CC)[C@@H]1C[C@H]1C	841625728	JVWAZFAPORNURU-MWLCHTKSSA-N	196.338	3.187	30	20	AGED	
C=CCCN[C@H](C)c1sccc1C	168569510	PFARGQWNBRLYCG-SNVBAGLBSA-N	195.331	3.283	30	20	AGED	
O=CCCCCCOC1CCCCC1	238608546	CZUCQWWFWWUPRA-UHFFFAOYSA-N	198.306	3.095	30	20	AGED	
C=C1CCN([C@H](C)CC(C)C)CC1	306220783	OOEVNMFZQDXPMH-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=C(C)C(C)(C)c1nc(C(C)C)no1	335277349	PWTHBLUXCKMDKT-UHFFFAOYSA-N	194.278	3.047	30	20	AGED	
C=CCC[C@@H](C)N[C@]1(C)CC1(C)C	658304583	PSFKHZFOVIUUQU-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN(C)[C@H](C)c1cccs1	680941183	XYKHOGLQIVNSPY-SNVBAGLBSA-N	195.331	3.317	30	20	AGED	
C=CCCCCCN1CC=C(C)CC1	683784259	SBOKDXDSVVFQHM-UHFFFAOYSA-N	193.334	3.385	30	20	AGED	
CC[C@H]1CCC1=NNC1CCCCC1	807983644	SSKFFAJEZJVYOP-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1	252965598	RXBNTMPIXYZXSK-QNWHQSFQSA-N	195.350	3.365	30	20	AGED	
CC[C@H]1CCC[C@H](C(C)(C)C=O)C1	306461895	GTJCAGUPRUKAFA-QWRGUYRKSA-N	182.307	3.428	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)CCC	384931810	IMPYTEGUGJSVGP-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=CCCCCN(C)[C@@H](C)C1(C)CC1	649344484	LAQAUIBZMYMTEH-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
CC(CC1CCCC1)=NOCC1CC1	814243987	WYZUAIXOLMGJNB-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CC[C@@H]1CCC1=NN1CCCC[C@@H]1C	853381748	KOKUFQINIDGJLV-WDEREUQCSA-N	194.322	3.037	30	20	AGED	
C[C@@H](CON=CC1CC1)C(C)(C)C	871760282	IXRVJPPCSMRPDD-VIFPVBQESA-N	183.295	3.081	30	20	AGED	
CC(C)SCc1cccc(C#N)c1	37685634	WBOPFCPYHOJACK-UHFFFAOYSA-N	191.299	3.200	30	20	AGED	
CCSc1ccc(C#N)cc1Cl	62794156	FRYMEPASPNLSEU-UHFFFAOYSA-N	197.690	3.324	30	20	AGED	
C=C(C)CNc1cc(F)cc(Cl)c1	217528670	XBBDQRSBSNZNMY-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCN(C)[C@H](C)c1cccc(F)c1	621283160	WANBXCMAEAFEAV-SNVBAGLBSA-N	193.265	3.005	30	20	AGED	
C=C[C@@H]1CCCCN1CC/C=C/CC	683792958	IVVAFQYCQCOXPN-URWSZGRFSA-N	193.334	3.383	30	20	AGED	
C=C(C)COC(=O)CCCC(C)(C)C	729028037	OOHXTOWKPLICHH-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C(C)CCOC(=O)C(C)(CC)CC	767991998	VUDNZKQUVKSCKZ-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=CCOc1ccc(C(C)C)cc1	32155547	QVGYGYMFMUBSHD-UHFFFAOYSA-N	176.259	3.375	30	20	AGED	
C#CCN(CCC(C)C)CCC(C)C	200362502	LDZDAEVOCXJLSJ-UHFFFAOYSA-N	195.350	3.014	30	20	AGED	
CON=C(C)c1ccc2ccccc2c1	252630219	UXILCQIEYGDOAG-UHFFFAOYSA-N	199.253	3.210	30	20	AGED	
CC(C)=CCSCCCCC#N	388482179	VSAOMSPXYWADDD-UHFFFAOYSA-N	183.320	3.380	30	20	AGED	
CC[C@@H](C)CS[C@H](C)CCC#N	591128257	ZWQDBMOXJHLYKB-NXEZZACHSA-N	185.336	3.458	30	20	AGED	
C=CC[C@@H]1CC[C@@H](N[C@@H]2CC2(C)C)C1	651685252	OQGAQSZTMCRRQO-IJLUTSLNSA-N	193.334	3.119	30	20	AGED	
C=C(C)CON=C(C)c1cccs1	844615261	PJLUMRYZDNBMSS-UHFFFAOYSA-N	195.287	3.065	30	20	AGED	
C=CC[C@H]1CCCCC1=NNCCC	853288859	IELLXZMIRDJZFC-NSHDSACASA-N	194.322	3.108	30	20	AGED	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2S	20476508	MDCBFUJJCQRQPI-APPZFPTMSA-N	194.299	3.179	30	20	AGED	
C=CCSCC1CCCC1	306513613	SKYRXBHYRKIKAE-UHFFFAOYSA-N	156.294	3.096	30	20	AGED	
C=C(C)CSc1cccc(C#N)c1	307069997	UYFKBBNWVPALDB-UHFFFAOYSA-N	189.283	3.226	30	20	AGED	
C=C(Cl)CN1CC[C@@H]2CCCC[C@@H]21	307380072	ZQRGZUDSBKMLGV-QWRGUYRKSA-N	199.725	3.003	30	20	AGED	
C=CCC[C@H](NCC=C(C)C)C1CC1	379604594	PFVFUHRZLPENED-ZDUSSCGKSA-N	193.334	3.287	30	20	AGED	
CCN(CCC(C)(C)C#N)C(C)(C)C	382149633	RHNGZULFUKNDTE-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C=CCCCN(C)CC1CCCC1	388722900	STGNQGFTVLYMFM-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CC[C@@H](CC#N)N[C@H](C)CCC(C)C	54183211	QLSAQSHRPKEAEG-NEPJUHHUSA-N	196.338	3.093	30	20	AGED	
CCCCCCCNCC(C)C	59055167	LAXKUQFUEFSWSE-UHFFFAOYSA-N	171.328	3.202	30	20	AGED	
C=CCC[C@H](C)N[C@@H](C)[C@H](C)CC	126671911	VNPMCEIDHVOADI-WOPDTQHZSA-N	183.339	3.365	30	20	AGED	
CC(C)CCSCC1(CC#N)CC1	232580610	XATFEPSIGPCCGF-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
CC[C@H]1CCC[C@@H](C2(C=O)CC2)C1	306215939	JROSBVWGFBTEKT-WDEREUQCSA-N	180.291	3.182	30	20	AGED	
CC1(C)CCC(CS)CC1	306570161	MQVGMFGZWAPMAA-UHFFFAOYSA-N	158.310	3.133	30	20	AGED	
C[C@H]1CCCCN1N=C1CCC[C@H]1C	853381174	XVZDKTAGYQEIER-MNOVXSKESA-N	194.322	3.037	30	20	AGED	
C=CCCCC(=O)c1ccc(F)cc1	70593424	LKPHQEUGIIWIIQ-UHFFFAOYSA-N	192.233	3.365	30	20	AGED	
CC(C)[C@@H]1CCC[C@H](S)C1	231006294	QPZKBFKNTOOXQX-BDAKNGLRSA-N	158.310	3.131	30	20	AGED	
C=CCN(CC1CCCC1)C(C)C	308155076	QSSHTFYAUHZQCH-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCON=C1CCC[C@H](CC)C1	835015321	IHVSRHUZFDKJJN-JTQLQIEISA-N	181.279	3.145	30	20	AGED	
C=C(C)CN(C)c1ccc(C)cc1	307761572	ZXCCZIWVYAKLOF-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
C=C(C)CCN(C)c1ccccc1	308439418	YFXBNIDNTXAJHB-UHFFFAOYSA-N	175.275	3.089	30	20	AGED	
C=C(C)CN[C@@H](CCC)C1CCC1	322766580	DXBWNWUEKVZXCR-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=C1CCN(CCCCCC)CC1	388809475	QTWYYDGLHBPYCG-UHFFFAOYSA-N	181.323	3.219	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@H]1C(C)C	844622172	VXUNFTZZSAAPIH-QWRGUYRKSA-N	195.306	3.390	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)CCCC(C)C	224559184	JJGFGRANNNWSTG-NEPJUHHUSA-N	183.339	3.365	30	20	AGED	
C=C(Cl)CN(CC)[C@H](C)C(C)C	308008911	KBSCFCMAKMCIMI-SNVBAGLBSA-N	189.730	3.105	30	20	AGED	
C=CCCCCCN(C)CC(=C)C	308282389	YKDLJLANOFEJTE-UHFFFAOYSA-N	181.323	3.241	30	20	AGED	
C=CCC[C@@H](CC)N[C@H](CC)CC#N	388817117	HPAYJLLAZSLQCH-VXGBXAGGSA-N	194.322	3.013	30	20	AGED	
C=CC[C@@H](CC)N[C@@H]1C[C@H]2CC[C@H]1C2	394274570	BOFABNKZZDNEDR-WUHRBBMRSA-N	193.334	3.119	30	20	AGED	
CC#CCCN(CC(C)C)CC(C)C	680882988	QOIGOHUYNYKNRX-UHFFFAOYSA-N	195.350	3.014	30	20	AGED	
CC[C@H](C)NN=C1C[C@H](C)C[C@@H](C)C1	790184713	ZVOFSEFWXCJESS-MXWKQRLJSA-N	196.338	3.187	30	20	AGED	
C1CCC(ON=C2CC3(CC3)C2)CC1	814909770	KKZGKMPSIQMFLQ-UHFFFAOYSA-N	193.290	3.266	30	20	AGED	
C=CCCCNc1ccccc1	70591208	UTAAMOHAEJCLOT-UHFFFAOYSA-N	161.248	3.065	30	20	AGED	
C[C@H]1CCC[C@@H](C(C)(C)C=O)C1	217765479	HYIDZHMLXWTZCC-VHSXEESVSA-N	168.280	3.038	30	20	AGED	
CC[C@H](C)CSCCCC#N	229045803	IMPSTDHWSZMIEF-VIFPVBQESA-N	171.309	3.069	30	20	AGED	
C=CCCNC1(CC=C)CCCCC1	238058502	ACFMNZBQQNBZEX-UHFFFAOYSA-N	193.334	3.431	30	20	AGED	
CC[C@H](C)C(C)=NOC1CCCC1	308319610	XRZWYYGJNQYNLR-VIFPVBQESA-N	183.295	3.368	30	20	AGED	
C=C(C)CCSc1nc(C)co1	379323485	QISRWYSCYLVZBS-UHFFFAOYSA-N	183.276	3.041	30	20	AGED	
C=C[C@H](C)ON=C1CCC12CCCC2	844626649	ZGCFLRFJKZIKPY-JTQLQIEISA-N	193.290	3.288	30	20	AGED	
C=C(C)COc1ccc(F)cc1C	129317678	UBYWYEYQDKQYAO-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
C=CCNc1cc(SC)ccc1C	306230967	DJLAARBIZROMOY-UHFFFAOYSA-N	193.315	3.315	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CCC[C@H]1C	306241736	MOHCWIVWHNPDOK-HBNTYKKESA-N	168.280	3.038	30	20	AGED	
C/C=C/C[C@]1(C=O)CCCC[C@H]1C	306413541	SKIPHHUAZOIADO-BLDJZWNYSA-N	180.291	3.348	30	20	AGED	
C=C[C@@H](C)N[C@H](C)C1C(C)(C)C1(C)C	308650623	KETGWDPEDPKYPE-NXEZZACHSA-N	195.350	3.221	30	20	AGED	
N#CCC1(CSCCC2CC2)CC1	596356954	MNHZWTNGFJIKTB-UHFFFAOYSA-N	195.331	3.214	30	20	AGED	
C=CCC[C@@H](CC)NC1(CC)CC1	651396580	OHOYQQIXILOKNT-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=C[C@H]1CCCCN1CC/C=C\CC	683792957	IVVAFQYCQCOXPN-SZZPACECSA-N	193.334	3.383	30	20	AGED	
C=C(C)CCn1cnc2ccccc21	38325689	YQMKJIIETVDOCH-UHFFFAOYSA-N	186.258	3.003	30	20	AGED	
C=C(C)CNc1cccc(Cl)c1	41579435	QZOLWLYBPRMWCH-UHFFFAOYSA-N	181.666	3.328	30	20	AGED	
CCC[C@@H](C)NCC(C)(C)CCC#N	229667844	YLJYERSSVSWJBJ-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=C(C)CCN[C@H]1CCC[C@H]1C(C)C	648727763	HKRLMHBBPBQFKQ-STQMWFEESA-N	195.350	3.367	30	20	AGED	
C=CCCCCCN1CC[C@@H]2C[C@H]2C1	661968333	XKJGCFCATKTKBK-OLZOCXBDSA-N	193.334	3.075	30	20	AGED	
C(=NOCC1CCCCCC1)C1CC1	853735145	PADGVFVZUXBNPA-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CC[C@@H](C)CSCCCC#N	229045793	IMPSTDHWSZMIEF-SECBINFHSA-N	171.309	3.069	30	20	AGED	
C=C(Cl)CNC[C@@H](C)CC(C)C	300904758	LHSCSEPNMBXXOL-VIFPVBQESA-N	189.730	3.011	30	20	AGED	
C=C(C)CCSc1nccs1	307566507	OLEUIAXKNDYDSX-UHFFFAOYSA-N	185.317	3.201	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)c1ccoc1	308727593	HKICQIMFSDCLMD-JQWIXIFHSA-N	193.290	3.285	30	20	AGED	
C[C@H](NN=C1CCCCC1)C(C)(C)C	793114490	HCVCMCRGHPZMJX-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CC[C@@H]1CCC[C@](C=O)(C(C)C)C1	307151163	VHONGCOYBIMYES-NEPJUHHUSA-N	182.307	3.428	30	20	AGED	
C=CCCN(CC)c1ccccc1C	606897061	LHSGJANITPXZFQ-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
C=CCCCCN1C[C@H]2CCC[C@@H]2C1	649349191	NNZGRHMFLGOVGR-CHWSQXEVSA-N	193.334	3.075	30	20	AGED	
C=CCON=C[C@@H]1CCC[C@@H](C)C1	835013252	NWGDHAKNLFDFJN-GHMZBOCLSA-N	181.279	3.001	30	20	AGED	
C=CC[C@]1(O)C[C@H](C)CC(C)(C)C1	78675698	KZFXQYPCFAVZPH-PWSUYJOCSA-N	182.307	3.140	30	20	AGED	
C#Cc1cccc(N[C@@H]2CCC[C@H]2C)c1	83389509	LOVVFIVRLBAAPP-BXUZGUMPSA-N	199.297	3.268	30	20	AGED	
C=C[C@@H](O)c1ccc(C(C)C)cc1	83813486	URPGMEBASDNTMA-GFCCVEGCSA-N	176.259	3.029	30	20	AGED	
C=C(C)CCNc1cccc(F)c1F	168965885	FPOQZNICKYWMJB-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
CC[C@@](C)(C=O)C/C(C)=C/Cl	307741294	QDHLYVANNOMGGB-BNICOGTQSA-N	174.671	3.134	30	20	AGED	
C=C(CC)CSCc1cccnc1	308295874	JWZKZZDJTBHZIW-UHFFFAOYSA-N	193.315	3.281	30	20	AGED	
C=CC[C@H](CC)NC[C@H]1CC=CCC1	308574158	CWGPEQVPMJWMLA-STQMWFEESA-N	193.334	3.287	30	20	AGED	
C=CC[C@@H](C)NC[C@H](C)C(C)(C)C	388591917	AYMKSGCCGRKRKR-WDEREUQCSA-N	183.339	3.223	30	20	AGED	
C[C@@H](C=NOC1CCC1)C(C)(C)C	388642682	PETUTTVBAIAZEL-VIFPVBQESA-N	183.295	3.224	30	20	AGED	
C=C(C)COC(=O)C[C@H](CC)C(C)C	729764751	YCGFOEIMEVKOEN-NSHDSACASA-N	198.306	3.178	30	20	AGED	
C=CCCOC(=O)C1(CC)CCCC1	757129125	ZJYDIEIKWPPIGD-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC(C)CON=C[C@H]1CCC[C@@H](C)C1	768368407	XYZIRKDGGBLWQX-NEPJUHHUSA-N	197.322	3.471	30	20	AGED	
C=CCON=C(CC)[C@@H]1CC1(C)C	841640816	JXOAWHSWROKMCN-VIFPVBQESA-N	181.279	3.001	30	20	AGED	
C#CCCCCCC=NO[C@H](C)C=C	844620822	QPSQBOIFQRQQCP-GFCCVEGCSA-N	193.290	3.147	30	20	AGED	
C=C[C@](C)(CC)c1nnc(C(C)C)o1	1327332698	WMTXDQMYLODKGF-LLVKDONJSA-N	194.278	3.047	30	20	AGED	
C=C(Cl)COc1cccc(CC)c1	70233663	VSYYODQVKVAIPO-UHFFFAOYSA-N	196.677	3.380	30	20	AGED	
CC#CCCSc1ccccc1	307095420	OUSPPVLICNKGFM-UHFFFAOYSA-N	176.284	3.192	30	20	AGED	
CCCNN=C(C)CCCC(C)C	388683676	JHDZZDFFDOFILS-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
CCc1ccc(C=NOC(C)C)s1	834999989	JLRBLPDKWWKGQL-UHFFFAOYSA-N	197.303	3.069	30	20	AGED	
CCCCCCCC(=N)OCC	1727119	NUXNOOGZAAZDQT-UHFFFAOYSA-N	171.284	3.361	30	20	AGED	
C=CCN[C@@H](C)c1ccc(C)cc1C	19875915	MZONDNKFFBAWHG-LBPRGKRZSA-N	189.302	3.140	30	20	AGED	
O=CC1(CC2CCCCC2)CCC1	238595974	LYXDBDAIBWCIIJ-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=CCN(CC)[C@@H]1CCCC[C@@H]1C	308475821	LWWBPGQYFPPALW-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN(C(C)C)C1CCCC1	594722260	QDYWEQIUGSWCQN-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C=CCCCN1CCCC(C)(C)CC1	607748807	ZCGJHTMJQQFLGV-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC1(C)CC(=NNc2ccccc2)C1	814684566	YZILWTYHJKMKCJ-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
C#CCSc1ccc(Cl)cc1	6644693	DHHLEXXFLYJLEU-UHFFFAOYSA-N	182.675	3.065	30	20	AGED	
C=CCCNc1ccc(Cl)cc1F	70591925	ZXIYHRFABPJPMH-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCSCc1ccccc1OC	223522992	LVQRPHRQSFYHMH-UHFFFAOYSA-N	194.299	3.114	30	20	AGED	
C=CCCCCNc1ncc(C)s1	308388879	WSAPDLNLKANJHN-UHFFFAOYSA-N	196.319	3.220	30	20	AGED	
C=CCCCCNc1ccnc(C)c1	308522126	YLAOGAIAMONEKN-UHFFFAOYSA-N	190.290	3.158	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCC(=C)CC	648840053	BRLHBVWORVCFEJ-NWDGAFQWSA-N	181.323	3.143	30	20	AGED	
C=CCCCCCN(CC=C)C1CC1	683786099	ZDFPIPFVMFOISM-UHFFFAOYSA-N	193.334	3.383	30	20	AGED	
CCCC(CCC)=NNC1CCCC1	727652513	KPFVIYUUCUKQET-UHFFFAOYSA-N	196.338	3.475	30	20	AGED	
CCON=C/C(C)=C\c1ccccc1	767462966	KUYKXJDTELSOFP-NZGLNZLNSA-N	189.258	3.112	30	20	AGED	
CC(C)ON=C[C@@H]1CCCC[C@@H]1C	835003739	ZTKOOMKIZSHSCP-QWRGUYRKSA-N	183.295	3.224	30	20	AGED	
C=CCCCCOc1ccccc1	33606526	FNFXSDYETCRXMJ-UHFFFAOYSA-N	176.259	3.422	30	20	AGED	
C=CCC[C@H](C)NC[C@H]1CC=CCC1	126794859	DGQBSMJZCMJUMV-STQMWFEESA-N	193.334	3.287	30	20	AGED	
C=C(C)CCNc1ccc(F)cc1	168948765	LPFAXQALRFZJQQ-UHFFFAOYSA-N	179.238	3.204	30	20	AGED	
C=C(Cl)CN1[C@@H](C)CCC[C@H]1C	306436831	DSZWLXFNSMAUJC-AOOOYVTPSA-N	187.714	3.002	30	20	AGED	
O=CC1(CC2=CCCC2)CCCC1	307127088	VJYUMFKDMRTZOJ-UHFFFAOYSA-N	178.275	3.246	30	20	AGED	
C=CCCCN[C@H](C1CCC1)C1CC1	324961259	KEVAQYUEQSPDIJ-CYBMUJFWSA-N	193.334	3.121	30	20	AGED	
CCC[C@@H](C)N(C)C[C@H](C)CCC#N	602441165	UNQQNVMFOWDHQH-VXGBXAGGSA-N	196.338	3.047	30	20	AGED	
C=C(C)CN(C)Cc1csc(C)c1	648504850	FIMBKUQUUDWPAP-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
C=CCC[C@@H](C)NC[C@@H]1C[C@H]1C(C)C	648767612	BJMHIDIZLZDVQF-AGIUHOORSA-N	195.350	3.223	30	20	AGED	
CCC[C@H](C)C(CC)=NNCC(C)C	771557663	JOYIWSYDBFRNBY-NSHDSACASA-N	198.354	3.434	30	20	AGED	
C=CCC[C@H](C)NC(C1CC1)C1CC1	126672382	LDUNYVOBBFETDS-JTQLQIEISA-N	193.334	3.119	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC[C@@H]1C1CC1	308723842	FOZHIYPGWGPULK-XQQFMLRXSA-N	193.334	3.119	30	20	AGED	
Cc1ccsc1C=NOC(C)(C)C	388279969	KOODNMPHSHPPLV-UHFFFAOYSA-N	197.303	3.206	30	20	AGED	
CCCON=C1CCC[C@@H]1C(C)C	842555318	VYHNGOIUTZZIQI-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=CCCCC(=O)OCCC=C(C)C	1333203387	QYAYSBVCLDTXOG-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
C=CCOc1c(C)cccc1Cl	142378129	MMTHVUYLKFQSHS-UHFFFAOYSA-N	182.650	3.213	30	20	AGED	
C=CCCN[C@H](CC)[C@H](C)CCC	658117684	YSHOHERLLLPXQA-VXGBXAGGSA-N	183.339	3.367	30	20	AGED	
C=CCC[C@@H](CC)NCC1=CCCC1	658292890	OJVFZFJQDGBGNU-CYBMUJFWSA-N	193.334	3.431	30	20	AGED	
C#CCCN1CCC[C@@H]1CCCCC	760857096	ZNSZWVLTGQRWFQ-ZDUSSCGKSA-N	193.334	3.054	30	20	AGED	
CC[C@H](C)CC=NOC[C@@H](C)CC	834981647	VKLSTHNWBCFWFN-QWRGUYRKSA-N	185.311	3.471	30	20	AGED	
C=CC(C)(C)C(=O)O[C@H](C)CC(C)C	835101339	RETINWDFIGMFNV-SNVBAGLBSA-N	198.306	3.176	30	20	AGED	
C1CC(=NOCCCC2CCC2)C1	853670301	VYYHQTXPGGHHTB-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
CC(C)CNN=CCC1CCCCC1	1330326269	CSTPLSCKVBHNIQ-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
CCCCCCCCN(C)CCC#N	59089304	HIENWOQZWFKIRK-UHFFFAOYSA-N	196.338	3.192	30	20	AGED	
C=C(C)CN[C@@H]1CCC[C@@H](CC)C1	82847673	QYUCGGJQPZGPKY-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
CCC[C@@]1(C=O)CCCC[C@H]1C	306198400	PJSLGCVQAAVHGU-MNOVXSKESA-N	168.280	3.182	30	20	AGED	
C=CC[C@H](CC)NCc1ccoc1C	321497201	LDFXZQPICCZSFA-LBPRGKRZSA-N	193.290	3.032	30	20	AGED	
CON=C[C@@H](C)CC1CCCCC1	379411539	IJUSMFJTSYSYJY-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=C(C)CCSc1ccc(C)cn1	393711353	LFNKWKPLKVXLFX-UHFFFAOYSA-N	193.315	3.448	30	20	AGED	
C=CCCN(C)CCC1CCCCC1	606897552	YNYRJJVSCXTVTK-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC(C)N(CCC(C)(C)C#N)C(C)C	611516897	KQHHIAWRYWQMCD-UHFFFAOYSA-N	196.338	3.045	30	20	AGED	
C#CCSc1ccc(C)c(C)c1	41634741	PTICAMBZPGKDDD-UHFFFAOYSA-N	176.284	3.029	30	20	AGED	
N#Cc1cccc(SC2CCC2)c1	306490717	NGVCAFZFZWYULT-UHFFFAOYSA-N	189.283	3.203	30	20	AGED	
C=C(CC)CN(CCC)CC1CC1	308243662	TWUPHJWBSWRLPM-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCN[C@@H](C)C(C)(C)CC	651339658	RASNYKPVVOSAIT-NSHDSACASA-N	183.339	3.367	30	20	AGED	
CC1CCC(=NNC2CCCC2)CC1	727652959	YDWWKDPBVBVHHA-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CCC(CC)NN=C1CCCC[C@@H]1C	734365206	TWWNCOZFJJJNEH-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CCC(=NNC1CC1)C1CCCCC1	758133431	ODJHYQGQUGCEIW-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C=CCON=C(C)CC1CCCC1	835013244	NHDBEBAZHQXOKE-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
CCON=Cc1ccc(C)cc1Cl	844573066	JBPXKARMORAZLN-UHFFFAOYSA-N	197.665	3.019	30	20	AGED	
C[C@@H]1CCCC1=NN1CCCC[C@H]1C	853381173	XVZDKTAGYQEIER-GHMZBOCLSA-N	194.322	3.037	30	20	AGED	
CC(C)c1ccc(SCC#N)cc1	19847599	LJSHHXFNHLCCGR-UHFFFAOYSA-N	191.299	3.426	30	20	AGED	
C#CCCCSC1CCCCC1	161025379	SHSHQXVMRGQNHE-UHFFFAOYSA-N	182.332	3.466	30	20	AGED	
CC#CCOc1cccc(C)c1Cl	306509623	CBZBJDHVMAYVAL-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
C=C(C)CCN1CCC(C)(C)CC1	306966223	OEXHVKVNVSEBBO-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CC(C)(C)CN[C@@H](CC)C(C)C	385000418	VNTVELWLGWQRPI-NSHDSACASA-N	183.339	3.223	30	20	AGED	
C=CCCC(CC)=NNC1CCCC1	727651527	CZFSFWZALKYLPA-UHFFFAOYSA-N	194.322	3.251	30	20	AGED	
CC(C)(C)CCNN=C1CCC1(C)C	789038158	UWNMMGMVYJIDKN-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=C[C@H](C)ON=C[C@@H](C)CC(C)C	844625114	LGXNKOFWAWBNCT-QWRGUYRKSA-N	183.295	3.246	30	20	AGED	
C=C/C=C/CCN(CC=C)C(C)C	877977442	WYQQSZSNYICRQK-BQYQJAHWSA-N	179.307	3.015	30	20	AGED	
CC[C@H](C)Nc1ccc(C#N)cc1C	37895008	NXSVGARZIGNYIL-JTQLQIEISA-N	188.274	3.077	30	20	AGED	
C=CCCCCCSCC	231589119	PTIBZONJSJMSPZ-UHFFFAOYSA-N	158.310	3.486	30	20	AGED	
C=C(Cl)CN(CC)CC(C)(C)C	308012271	NJJKLLQFZOCWCX-UHFFFAOYSA-N	189.730	3.107	30	20	AGED	
C=C1CCN(CC(CC)CC)CC1	678242286	LSPQJAFYRXLBEQ-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=C(C)CON=C(C)CCCC	844615463	SNECRTACANUTFN-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
C#Cc1cccc(NCCCCC)c1	20034441	GAMYWXQUQMSZQA-UHFFFAOYSA-N	187.286	3.270	30	20	AGED	
C=CCCN[C@H](C)c1ccc(C)s1	70591939	CKHLJXGXTDPVOK-SNVBAGLBSA-N	195.331	3.283	30	20	AGED	
C=CC[C@H]1C[C@@H]1c1ccccc1	165979012	VZORDBUUQFXRHS-NWDGAFQWSA-N	158.244	3.366	30	20	AGED	
CCC1CCC(C=O)(C(C)C)CC1	306248138	GPOXOMIZVHWBAG-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
CCC[C@@H](CC)NCC(C)(C)CC#N	590970549	CGXQOSRZTLLFPS-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=C(C)CN1CC(C)(C)[C@@H]2CCC[C@@H]21	645250191	AJFHXFAAFYRESQ-NEPJUHHUSA-N	193.334	3.073	30	20	AGED	
C=CCCCN(CC1CCC1)C(C)C	683527855	NDEPCEARTUDIHY-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
Cc1cccc(NN=C[C@@H]2C[C@@H]2C)c1	758360700	YZZDUGACZNQQSD-QWRGUYRKSA-N	188.274	3.049	30	20	AGED	
CC[C@@H]1CCCC(=NN[C@H](C)CC)C1	790189026	MLHHBOBNHKIPAY-GHMZBOCLSA-N	196.338	3.331	30	20	AGED	
C=CCC(C)(C)c1nnc(C(C)C)o1	1261573588	YRKAKCOKCHOQMT-UHFFFAOYSA-N	194.278	3.047	30	20	AGED	
C=C(C)CSCCCCC	307558048	VQWGWRRMLGOTJA-UHFFFAOYSA-N	158.310	3.486	30	20	AGED	
C[C@@H](S)[C@@H]1CC2CCC1CC2	307573580	BXNXAWPYZPMTPO-WOOKNIGNSA-N	170.321	3.131	30	20	AGED	
C#CCCCSCC=C(C)C	307868772	KOOICGKATXWXSF-UHFFFAOYSA-N	168.305	3.099	30	20	AGED	
CCCNN=C(CC)[C@H](C)CCC	308497888	UZFPVMDZQOOGPY-SNVBAGLBSA-N	184.327	3.188	30	20	AGED	
C=C[C@H]1CCCCN1C/C=C(/C)Cl	528480729	IZINVMRKLSYHCO-BRNRAETOSA-N	199.725	3.170	30	20	AGED	
C=C(C)CN(C)C1CCC(CC)CC1	585748893	ZPEFYBNOCUOGPO-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=C(CC)CN[C@@H]1CCCC1(C)C	86874301	VSZPBNAGECACDA-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CCC(=NNCC(CC)CC)C1CC1	774478939	TVPSRXYNHULPGE-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C[C@@H]1CCCC1=NNC1CCCCC1	786042914	CTAVSJJHJQRWOS-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C=CCCCCOC(=O)C1(C)CCC1	811014506	XNMKIRMLIYCYHE-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC1(C)C[C@H](S)c2ccccc2O1	88037681	SEKABZRXBPQDSP-JTQLQIEISA-N	194.299	3.219	30	20	AGED	
C=CCC[C@H](C)NCc1cccs1	96034276	GSZUCCFBPQAGCK-JTQLQIEISA-N	195.331	3.192	30	20	AGED	
C=CC[C@@H](CC)Nc1cc(C)ccn1	308617572	SEMGLMNOYQFMNL-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
C=CCCSCc1ccc(C)cn1	379355996	MUPOMUCVGWXSTA-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
CCCC[C@H](CCC)CNCCC#N	591749348	UNKZSNLNQIFUQV-LBPRGKRZSA-N	196.338	3.096	30	20	AGED	
C=CCC[C@@H](C)Nc1cncc(C)c1	134942495	NWMNXBFQTJSMEP-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
CC(C)C[C@@]1(C=O)CCCC[C@@H]1C	306267710	QPJGGGGLQCUQDO-NWDGAFQWSA-N	182.307	3.428	30	20	AGED	
C[C@@H]1CCC[C@](C=O)(CC(F)F)C1	306468181	NLPQMGUHTXYKEC-PSASIEDQSA-N	190.233	3.037	30	20	AGED	
C=CCc1cc(C)c(F)cc1F	307133477	XRDVAZRIJFFUCO-UHFFFAOYSA-N	168.186	3.002	30	20	AGED	
C=C(CC)CNC(C(C)C)C(C)C	393711640	NDKHTHKCWFLKKI-UHFFFAOYSA-N	183.339	3.223	30	20	AGED	
C=C(C)CCc1noc(/C(C)=C\C)n1	671670865	PXTGKGQXDHTPEZ-UITAMQMPSA-N	192.262	3.002	30	20	AGED	
C=CCC[C@@H](CCC)N[C@H]1C=CCC1	850509684	PNFBNEUFKMYLIT-OLZOCXBDSA-N	193.334	3.430	30	20	AGED	
CCC1(C=O)CCC(C)(C)CC1	306159213	KLAPAYLNDGGRQX-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
CC#CCCSCC/C=C/CC	308037448	LJXKPLNOFOJGKO-FNORWQNLSA-N	182.332	3.489	30	20	AGED	
C=C(CC)CN[C@@H]1CCCC12CCC2	313493716	FXSDPAOSFZPBNV-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
C=C(C)c1ccc([C@H](C)C#N)cc1	592989229	MLCILAPQCXGCTL-SNVBAGLBSA-N	171.243	3.347	30	20	AGED	
C=CC[C@@H](CC)NC1CC2(CCC2)C1	656590878	LORMPKYPPRBVIZ-LLVKDONJSA-N	193.334	3.263	30	20	AGED	
C=CCCC(=O)N[C@H](C)CCCCC	726496440	XRAKTMOHKBRUCR-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
Cc1cc(C(F)(F)F)ccc1CC#N	85210396	DLTAYXRBFBTAHL-UHFFFAOYSA-N	199.175	3.080	30	20	AGED	
Cc1cc(C)cc([C@@H](C)S)c1	148459170	HJDMKLJUDPNRMQ-SECBINFHSA-N	166.289	3.294	30	20	AGED	
C=C(CC)COc1cccc(C)c1F	227296585	WGAFPUFUTVMCPZ-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
C=CCCCCN[C@@H]1CC[C@H](C)C1	308147761	PEMYCHBPQRMLPU-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C#Cc1cccc(N[C@@H](C)C2CCC2)c1	309150054	WEQYCBGTNOSGBI-NSHDSACASA-N	199.297	3.268	30	20	AGED	
C=C(C)CCN[C@@H](C1CCC1)C1CC1	324968742	MYQNPPWGELAFCI-ZDUSSCGKSA-N	193.334	3.121	30	20	AGED	
C=CCC(C)(C)CNCCC(C)C	380024517	NKZIJYILZHSMNM-UHFFFAOYSA-N	183.339	3.224	30	20	AGED	
CCON=C(C)c1ccc(C)cc1C	767469154	KTAFGIACYHRJMB-UHFFFAOYSA-N	191.274	3.064	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCCC[C@H]1C	161686756	ZUFNTFYRCWRPDW-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCNc1ccc(Cl)cn1	306881038	LMGQOGNWTXZKBR-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=CCC[C@H](NCCC(C)C)C1CC1	308510997	KXJGVILGPBNXNJ-ZDUSSCGKSA-N	195.350	3.367	30	20	AGED	
C=C[C@H](C)N[C@H](C)C1C(C)(C)C1(C)C	308650625	KETGWDPEDPKYPE-VHSXEESVSA-N	195.350	3.221	30	20	AGED	
C=CCCCCN[C@H]1CC=C(C)CC1	308677015	WMNDIFMTINHKIO-ZDUSSCGKSA-N	193.334	3.431	30	20	AGED	
C=C(C)CON=C[C@@H]1CCC[C@H](C)C1	844618251	NCKCPEMYLCHJLO-NWDGAFQWSA-N	195.306	3.391	30	20	AGED	
C=C(C)CNc1cc(F)ccc1C	49136485	QENRXBAEDZNYBZ-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
CC(C)(CCC#N)c1ccccc1	57348860	OWNICWKAINATFR-UHFFFAOYSA-N	173.259	3.268	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC[C@@H](C2CC2)C1	224558369	MJJFUFHIDOUOJP-CYZMBNFOSA-N	193.334	3.119	30	20	AGED	
C#C[C@@H](NC(CCC)CCC)C(C)C	300985121	UTIZEFINHFBYGN-CYBMUJFWSA-N	195.350	3.203	30	20	AGED	
C=CCC[C@H](CC)N[C@@H](C)C1CC1	308214743	IJSSTXMIQGRAHE-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
C[C@H](CCC#N)SCc1ccco1	308282763	XRDWRDJAQADJJY-SECBINFHSA-N	195.287	3.205	30	20	AGED	
CCCCCC=NOCC(F)(F)F	379385077	RKRNMQJHXOOPQT-UHFFFAOYSA-N	197.200	3.131	30	20	AGED	
C=CCCCN(C)[C@@H]1CCCC[C@@H]1C	605149750	JIZUCKPJJQKWQM-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=C(C)CCN(C)CCC(C)(C)C	646028740	YAHFDQNMIOZLEZ-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CCCCOc1cc(C)nc(C)c1	681359856	WDEXRPCLFKJGQI-UHFFFAOYSA-N	191.274	3.043	30	20	AGED	
C=C(C)CN(C)[C@@H](C)C1CCCCC1	682073353	APMGNUBVRBBCIQ-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
CC[C@@H]1CCC1=NN[C@H](C)C(C)(C)C	793115527	RLRUAEMUSLFJAU-NXEZZACHSA-N	196.338	3.187	30	20	AGED	
CC[C@@H](C)NN=C1CCCCC[C@@H]1C	844593421	PXQZFCWTEDWWRP-WDEREUQCSA-N	196.338	3.331	30	20	AGED	
C=C(C)CCN[C@@H](C)CCC(C)C	168990654	GXTQACHASJXERQ-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
CCCCCC=NOCCC1CC1	308221897	LPHSHKFQNRVNAO-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CC(=NN1CCCC[C@@H]1C)C1CCC1	853381032	VYSYUXVQFFXLTQ-JTQLQIEISA-N	194.322	3.037	30	20	AGED	
CCCCC[C@H](C)N[C@H](CC)CC#N	42570202	IQXLDQHEAFMJBG-NWDGAFQWSA-N	196.338	3.237	30	20	AGED	
C[C@H](SCCC#N)c1ccccc1	58256567	ORBKUYQSCMEZQT-JTQLQIEISA-N	191.299	3.394	30	20	AGED	
C=CCCCCNC1CCCCC1	140327685	DJQZLFRXMUWTOP-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
N#Cc1cccc(SCC2CC2)c1	306949579	WMMDZYVOCIYEFD-UHFFFAOYSA-N	189.283	3.060	30	20	AGED	
CC#CCCSCC1CC=CC1	596413470	RQKACDUDUWYMCQ-UHFFFAOYSA-N	180.316	3.099	30	20	AGED	
C=CCCC(=O)O[C@H]1CCC(C)(C)C1	820331709	PEJFMRIFTPGYNW-JTQLQIEISA-N	196.290	3.075	30	20	AGED	
C=C(C)CN[C@@H]1CCCC(C)(C)C1	149881161	BMUSOKYUIYAXRW-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CCC[C@H]2C[C@H]21	378807898	YAEPDAZMJBHCGL-RVMXOQNASA-N	193.334	3.119	30	20	AGED	
CCCCSCC1(C#N)CCC1	591381020	LGNFGGRSCXSZTR-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CCC[C@H](C)NC1(C2CCC2)CC1	649810364	HTWKGZRSDMRAGH-NSHDSACASA-N	193.334	3.263	30	20	AGED	
C=CC[C@@H]1CC[C@H](N[C@@H]2CC2(C)C)C1	651685251	OQGAQSZTMCRRQO-GRYCIOLGSA-N	193.334	3.119	30	20	AGED	
C=CCNc1cc(Cl)ccc1F	50521837	ORQAMIZKKPXOPR-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C=CCC[C@@H](NCC)c1ccccc1	70594395	QOBXUZJCZFLHBH-CYBMUJFWSA-N	189.302	3.303	30	20	AGED	
C[C@H](CCS)c1ccccc1	86895276	BKNWKZNCOLAPCW-SECBINFHSA-N	166.289	3.110	30	20	AGED	
C=CCc1ccc(C(F)F)c(F)c1	95631398	CNTPFDSTSLUWCO-UHFFFAOYSA-N	186.176	3.492	30	20	AGED	
C[C@@H]1CCC[C@@H](CC2(C=O)CC2)C1	306319462	AIENBEQPZBCIQO-GHMZBOCLSA-N	180.291	3.182	30	20	AGED	
CON=CC[C@H](C)CCC=C(C)C	379406377	WFBHPEOVMWTQHI-LLVKDONJSA-N	183.295	3.391	30	20	AGED	
C=CCCN(C1CCCCC1)C1CC1	606895973	LOBISNRWQVHREZ-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
F[C@H]1CCCC1=NOC1CCCCC1	872365996	MPYOZRGFUZYTJY-JTQLQIEISA-N	199.269	3.214	30	20	AGED	
C=CCON=C(C)CCC=C(C)C	256074913	WEBKDBODPVSRCY-UHFFFAOYSA-N	181.279	3.311	30	20	AGED	
CC(C)C[C@@H](C)C=NOCCC1CC1	814246486	OUTLZDSQORTIGB-LLVKDONJSA-N	197.322	3.471	30	20	AGED	
C=C(C)[C@@H](C)OC(=O)C(C)(C)CCC	845514468	NGKUQBRHUOCDKO-SNVBAGLBSA-N	198.306	3.321	30	20	AGED	
C#Cc1cccc(NCC(=C)CC)c1	85056842	ZLERLSDHEDVDRM-UHFFFAOYSA-N	185.270	3.046	30	20	AGED	
C=CCC[C@H](C)Nc1cccnc1C	96034338	FHNKMWXIJDVEIZ-JTQLQIEISA-N	190.290	3.157	30	20	AGED	
CC(C)C[C@H](C)CON=C1CCC1	308155811	REXPZIZPFZKAMG-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=CCCN(C)[C@H]1CCCC[C@H]1C	308334568	NALBXKQLOOALDV-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCCCCNC[C@H]1C[C@H]1C	308635007	CBMGGZXCRBERJC-CHWSQXEVSA-N	195.350	3.369	30	20	AGED	
C=CCCCC[C@H](C)NCC1CC1	379380231	BTERVUANCJTISX-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)CC(C)(C)C	384962144	SHKAANYUOIRIMJ-QWRGUYRKSA-N	183.339	3.365	30	20	AGED	
C=CCN(c1ccc(C)cc1)C(C)C	725800987	UTGOQILTDGRTRM-UHFFFAOYSA-N	189.302	3.396	30	20	AGED	
C=CCCCCSCCSC	842192235	QVQRXUVJDOEYPQ-UHFFFAOYSA-N	190.377	3.439	30	20	AGED	
CCCCCCCCC(=O)N(C)CC	914500824	QUNAXPGZHWXPIZ-UHFFFAOYSA-N	199.338	3.215	30	20	AGED	
CC#CCNc1ccc(Cl)cc1C	300779406	PICCVDZBDYYJNN-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
N#CCCCSCCCCCF	388381287	PJXQVAIHNLUBPL-UHFFFAOYSA-N	189.299	3.163	30	20	AGED	
C=CC[C@@H]1CCCN([C@H](C)CC)C1	661387858	ZZTSKYPAZCCWOL-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=C(C)CON=C(CC)[C@@H]1C[C@@H]1C	844620717	ZPXSFDUAPZMALN-VHSXEESVSA-N	181.279	3.001	30	20	AGED	
C=CC[C@H](C)NCc1cccc(C)c1	124249884	ZCKQPXDKTYATNF-LBPRGKRZSA-N	189.302	3.049	30	20	AGED	
C#C[C@@H](C)N[C@H](C)CCCCCCC	166493709	UZFFODWWHLZPLB-CHWSQXEVSA-N	195.350	3.347	30	20	AGED	
C=CCOCCSCCCCC	218874920	VQESZPFXACFZDM-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
C=CCCCCCN(C)[C@@H](C)CC	379390329	NPWUDXVFOCGIOH-LBPRGKRZSA-N	183.339	3.463	30	20	AGED	
C=C(C)CON=C(CC)C(C)C	844615754	ZTNZDZWCTYNUCT-UHFFFAOYSA-N	169.268	3.001	30	20	AGED	
C=CCCCCOc1ccnc(C)c1	1117972035	MAOUCIXOJMGWSU-UHFFFAOYSA-N	191.274	3.125	30	20	AGED	
C=CC[C@@H](C)NCc1cccc(C)c1	124250088	ZCKQPXDKTYATNF-GFCCVEGCSA-N	189.302	3.049	30	20	AGED	
C=CC[C@H](C)N[C@H](C)C1CCCC1	161655527	UZVSIKSFINKLMG-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C/C=C/C[C@@]1(C=O)CCC[C@H](C)C1	306469184	OZZAFEQPAGDBJS-HEKLCECKSA-N	180.291	3.348	30	20	AGED	
C[C@H]1C[C@H](C2(C=O)CC2)CC[C@H]1C	307407733	OAQSCTBVMQFYFP-OUAUKWLOSA-N	180.291	3.038	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCCC1(C)CC1	308646434	HVEHBEGLLFJJRL-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCSCC=C(Cl)Cl	853768069	VMELTXIQZJJNBN-UHFFFAOYSA-N	183.103	3.225	30	20	AGED	
C=CCOCSc1ccccc1C	865352435	LUOYBURYJZVRQM-UHFFFAOYSA-N	194.299	3.247	30	20	AGED	
C=CCCC[C@@H](C)NCCC(C)C	308229450	GBCFHGRFQFMQHP-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C=C1CCN(CCCC(C)C)CC1	308330145	KBVBXRLQVRRJNQ-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C#Cc1cccc(NCC2=CCCC2)c1	401017864	CBPNAUMWHKXGJX-UHFFFAOYSA-N	197.281	3.190	30	20	AGED	
C=C(C)CCSc1ncccc1C	308335674	NVDQOEFOEFEOPX-UHFFFAOYSA-N	193.315	3.448	30	20	AGED	
C=C(CC)CSCCCCC#N	379314202	MBAYQXQCTNHKRR-UHFFFAOYSA-N	183.320	3.380	30	20	AGED	
C=CCCCSCC1(C#N)CCC1	591384831	POWCUHKMUMTQAK-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
C#CCCNc1cccc2ccccc12	70159572	AOGYTNRZDLEPRV-UHFFFAOYSA-N	195.265	3.275	30	20	AGED	
C=CCCCNc1ccc(F)cc1	70591388	KZRIUTLCYHKGKZ-UHFFFAOYSA-N	179.238	3.204	30	20	AGED	
C=CCCNC(C)(C)CC(C)(C)C	70592091	DVXGUBVWUXKNMI-UHFFFAOYSA-N	183.339	3.367	30	20	AGED	
C=C(C)CCN(CC)C[C@H](C)CC	393591219	QKLULHJOMLODPV-GFCCVEGCSA-N	183.339	3.321	30	20	AGED	
C=CCCN(C)C[C@@H]1CCCC[C@H]1C	682436659	RZASMZYUEBRHPB-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
C=CCOc1ccc(F)c(Cl)c1	32296762	WEHPABLJOZILNF-UHFFFAOYSA-N	186.613	3.044	30	20	AGED	
CC[C@@H](C#N)SC/C(C)=C/Cl	307761187	YKVHGYQZOSBGIX-IPWDFOCMSA-N	189.711	3.164	30	20	AGED	
CC[C@H](C)CON=C[C@@H]1CC[C@H](C)C1	793146502	UATIJTIGDTVYOA-SDDRHHMPSA-N	197.322	3.471	30	20	AGED	
C=CCCCOC(=O)C(C)(C)C(=C)C	820173666	RVAGUWNEKCQXNR-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
CCC(=NOCC(C)C)[C@@H]1C[C@H]1C	841633436	ORKSFGGTADLTOA-NXEZZACHSA-N	183.295	3.081	30	20	AGED	
CCCON=C(CC)C1CCCC1	842551611	SNJIMMXIUQSURJ-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=CCN(C/C=C/Cl)C(C)(C)C	852553977	YDOFYRDSMIPJSV-VOTSOKGWSA-N	187.714	3.025	30	20	AGED	
CCC(=NOCC1CCC1)[C@H]1C[C@H]1C	853440975	PTORFSPLSDKXQX-KOLCDFICSA-N	195.306	3.225	30	20	AGED	
C=C(C)CCN1CC[C@](C)(CC)C1	308504854	YQIQARJRUAKSDM-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@H]1CC[C@@H](C)C1	308648814	JETXGZOVRYLNDA-VOAKCMCISA-N	195.350	3.365	30	20	AGED	
CC[C@@H](C)CON=C(C)C1CCC1	379357266	QZDSFHQAAVSABB-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C=C(CC)COC(=O)C1(CC)CCC1	773523425	MYDSFQMZIIHKTC-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CC[C@H](C)C(C)=NO[C@H](C)C=C	844625043	PQMFOWWCMALUNF-VHSXEESVSA-N	181.279	3.166	30	20	AGED	
C=CCN[C@@H](C)c1ccc(Cl)cc1	19875799	AMOAWNMQUVHSIQ-VIFPVBQESA-N	195.693	3.177	30	20	AGED	
C=CCCCCCn1nc(C)cc1C	235745574	DUOIWDOGZKDPNH-UHFFFAOYSA-N	192.306	3.246	30	20	AGED	
C=CCC1(C=O)CCC(C)(C)CC1	306325169	RJNIHNZFXXVZRF-UHFFFAOYSA-N	180.291	3.348	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@@H](CC)C1CC1	658236202	USGOINSJHLMTMJ-GVXVVHGQSA-N	195.350	3.365	30	20	AGED	
CCON=CCC[C@H]1C[C@H]2CC[C@H]1C2	768774457	VKXYAAMGPGHYMW-WOPDTQHZSA-N	195.306	3.225	30	20	AGED	
C#CCCCCCC=NOCC(C)C	834966718	RTPHMOIBMVFKQJ-UHFFFAOYSA-N	195.306	3.229	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCC[C@@H](F)C1	1258717681	WVOVCPNHEJICOF-QJPTWQEYSA-N	199.313	3.211	30	20	AGED	
Cc1ccc(C(C)(C)C)cc1CC=O	95934452	JJUXHTFUQDFVMM-UHFFFAOYSA-N	190.286	3.034	30	20	AGED	
CC[C@](C)(C=O)C/C(C)=C/Cl	307741295	QDHLYVANNOMGGB-ORZBULNSSA-N	174.671	3.134	30	20	AGED	
C=C(CC)CN1CC[C@H](C(C)(C)C)C1	680112251	QGICCIQABJFOTK-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
CC[C@H](C)NN=C1CC[C@H](C)[C@H](C)C1	790182008	HPVOZGFRWWMNNL-AXFHLTTASA-N	196.338	3.187	30	20	AGED	
C=C(C)C(C)(C)C(=O)O[C@@H](C)CCC	820761041	MZFSBVPZLVTOKE-JTQLQIEISA-N	198.306	3.321	30	20	AGED	
C#Cc1ccc(-c2ccccc2)c(F)c1	98181088	MBMMDZUOUNJYLS-UHFFFAOYSA-N	196.224	3.474	30	20	AGED	
C=CCCCCN1CCC(C)(C)C1	649330168	IPZGNVOOFHEFLL-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C/C=C/C(=O)NCCCCCCCC	81138448	PCARJCHPPCFCDG-ONNFQVAWSA-N	197.322	3.039	30	20	AGED	
C=CCC[C@@H](N[C@@H](C)CC=C)C1CC1	308592430	WHDQOEQVXMVWKF-WCQYABFASA-N	193.334	3.285	30	20	AGED	
C=CCN[C@@](C)(CC)c1ccccc1	379548652	ZCDYJMZYBYXPPG-ZDUSSCGKSA-N	189.302	3.087	30	20	AGED	
CCCCC(=NOC)c1ccccc1	767491702	RNDVXOSSNFWIMI-UHFFFAOYSA-N	191.274	3.227	30	20	AGED	
C=CCC[C@@H](N[C@@H]1C=CCC1)C1CC1	850511131	ZSGLLWCUZZMQEN-CHWSQXEVSA-N	191.318	3.039	30	20	AGED	
CC(CC(C)(C)C#N)=NOC(C)(C)C	1327649889	XFACZQXYYORJEU-UHFFFAOYSA-N	196.294	3.117	30	20	AGED	
CC(C)=CCC[C@H](C)NCCCC#N	308664736	RXUHTNDTBWBGOJ-LBPRGKRZSA-N	194.322	3.015	30	20	AGED	
CC1CCC(CSCCC#N)CC1	591133748	KDWAWURVVURQTQ-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=CCCC(C)(C)NC[C@H](C)CC	657804875	FJTTYHREDZEMJX-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=C(CC)CN1CCC[C@H]1C(C)(C)C	678623879	OKQPSGWITDOPMW-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
C=CCCCC[C@@H](C)NC1(C)CC1	1324847154	BQCOMEQKPYYQMU-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=CCNc1ccc(C)cc1Cl	50521806	QUOYPJWUVVZMQC-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
CCCCCCCCCN(C)CC#N	105895706	XBCYGTKBRYVJOR-UHFFFAOYSA-N	196.338	3.192	30	20	AGED	
C=CCC[C@H](CC)NC[C@H]1CC1(C)C	389210141	IEECXCAWDMUOBB-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CCCN1[C@H](C)C[C@@H]2CCCC[C@H]21	608500445	NSFDZULSJPZION-FRRDWIJNSA-N	193.334	3.216	30	20	AGED	
C=CCCCCCn1ccc(C#N)c1	618643510	KRZRPQDKLLNRGW-UHFFFAOYSA-N	188.274	3.106	30	20	AGED	
C=C(CC)CN(C)[C@H]1CCC[C@@H](C)C1	678623300	NGWDXJNQENQISR-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
CC(CC1CCC1)=NOCCC1CC1	814246649	UPPJTLZMJBJGCD-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CCC(=NOCC1CC1)C1CCCC1	834982040	KNRXHRUPZLTRMQ-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=CCOc1cc(Cl)ccc1C	84082811	LTWYQWKSCJSKOL-UHFFFAOYSA-N	182.650	3.213	30	20	AGED	
CCCC[C@H](CC)CN[C@@H](C)CC#N	219411311	WRHQWESPDNAXEK-RYUDHWBXSA-N	196.338	3.095	30	20	AGED	
C#C[C@@H](N[C@@H](CC)C(C)C)C(C)(C)C	379650123	DLJIXKFRZLQLJP-NWDGAFQWSA-N	195.350	3.059	30	20	AGED	
CC[C@@H](C)CS[C@@H](C)CCC#N	591128262	ZWQDBMOXJHLYKB-ZJUUUORDSA-N	185.336	3.458	30	20	AGED	
C=CCCCOC(=O)CC1CCCC1	735527843	KEEQSUBQMPSCKS-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC(C)ON=C1C[C@@H](C)C[C@@H](C)C1	835000693	QCJOFGBTUCLDBV-AOOOYVTPSA-N	183.295	3.224	30	20	AGED	
C=C(C)CON=C(C)CC(C)(C)C	844620395	VOAUAFHNEVFKJL-UHFFFAOYSA-N	183.295	3.391	30	20	AGED	
N#CC[C@@H]1CCCc2ccccc21	35784182	MVYCQWUMBNUFHW-NSHDSACASA-N	171.243	3.020	30	20	AGED	
C=CCCN[C@H](C)c1ccccc1F	70592008	ODPTXHYVLJCYPN-SNVBAGLBSA-N	193.265	3.052	30	20	AGED	
C=C(C)CCNC1CCCCCC1	168955226	MJJANFVZGFPKNM-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
CC(C)(C=O)Cc1ccccc1Cl	219579304	DWSJJZMVPXUBJJ-UHFFFAOYSA-N	196.677	3.108	30	20	AGED	
Cl/C=C/CON=C[C@H]1CC=CCC1	393565148	PFJGSVTZHWSEKL-UHIHJQKQSA-N	199.681	3.098	30	20	AGED	
C=CCC[C@@H](N[C@H]1C=CCC1)C1CC1	850511133	ZSGLLWCUZZMQEN-QWHCGFSZSA-N	191.318	3.039	30	20	AGED	
Cc1ccc(CSCCC#N)cc1	58256511	LVMNBDVNIWYVNW-UHFFFAOYSA-N	191.299	3.142	30	20	AGED	
CC(C)[C@@H](C)SCC1(C#N)CC1	308097623	DWDIKCUMIUSTOX-SECBINFHSA-N	183.320	3.068	30	20	AGED	
C=CCCCCN[C@H](CC)[C@H]1C[C@@H]1C	322094843	XAGRAWXPSBICEY-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H](C)C(C)=NOCC(C)C	379405983	VFUYLLKHAKVVNT-JTQLQIEISA-N	183.295	3.247	30	20	AGED	
CC[C@H](C)C=NOCc1ccccc1	755633593	WIHFYXMXRQIDFI-NSHDSACASA-N	191.274	3.235	30	20	AGED	
CCCCNN=C[C@@H]1CCCC[C@H]1C	783826925	INCMGZDTGRFWQR-NEPJUHHUSA-N	196.338	3.188	30	20	AGED	
C=CCC[C@@H](NC/C=C/Cl)C1CC1	903443360	GRWZWMDQYXXNEY-SOZJPDODSA-N	199.725	3.073	30	20	AGED	
C#CCCCS[C@@H](C)C(C)C	231628387	ZFNDAGXCBVOUBP-JTQLQIEISA-N	170.321	3.178	30	20	AGED	
C=C(Cl)CSC/C=C\C	307825168	OOXOVWKULMXERZ-ARJAWSKDSA-N	162.685	3.048	30	20	AGED	
C=CCCCCNCc1occc1C	308478485	LMHPUZUXSZBYKJ-UHFFFAOYSA-N	193.290	3.034	30	20	AGED	
C=C(C)CSCc1c(C)noc1C	379391949	QVRLAANXYAWFRR-UHFFFAOYSA-N	197.303	3.101	30	20	AGED	
CC[C@H](C)C[C@@H](CC)NCCCC#N	389275851	OOUUUZMCPWIVDV-NWDGAFQWSA-N	196.338	3.095	30	20	AGED	
C=C(C)CN(C)[C@@H](C)c1ccccc1	680866041	SJSMSPGSGOXPOM-LBPRGKRZSA-N	189.302	3.256	30	20	AGED	
C=CCOC(=O)C(C)(C)CCCCC	753400845	WBNQIQOMNPZTQA-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
CCON=Cc1ccc2ccccc2c1	767470314	VFDAZDHCBNMRQF-UHFFFAOYSA-N	199.253	3.210	30	20	AGED	
C=CCCOC(=O)/C=C/C(=C/C)CC	767662884	VAQKQIBUQWGNTB-SXGHKVHISA-N	194.274	3.018	30	20	AGED	
C=C[C@@](C)(CC)C(=O)OCCCCC	785754283	PZNCRRWRDFIKSB-LBPRGKRZSA-N	198.306	3.322	30	20	AGED	
CC(C)ON=C1C[C@@H](C)CC[C@H]1C	835002566	QASSTPPLFQKMSI-VHSXEESVSA-N	183.295	3.224	30	20	AGED	
C=CCON=C1CCC[C@@H](C2CC2)C1	835016357	UOAIHSSSGBGEQE-LLVKDONJSA-N	193.290	3.145	30	20	AGED	
CCCCC[C@H](C)NCC(C)(C)C#N	126415883	PTCWVHZHERZRDA-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CC[C@@H]1C[C@H]1c1ccccc1	136939578	VZORDBUUQFXRHS-NEPJUHHUSA-N	158.244	3.366	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)[C@H](C)CCC	308208161	DRPROQSGFAQKNH-WOPDTQHZSA-N	183.339	3.365	30	20	AGED	
C=CCCCCN[C@H]1CCC12CCC2	308540881	UOIZOLQGVYRKAE-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
C=CCCN[C@H]1CCCC[C@@H]1C1CC1	658115462	VUABUCRHXJTJDK-OLZOCXBDSA-N	193.334	3.121	30	20	AGED	
C=CCC[C@@H](C)N[C@@]1(C)CC1(C)C	658304579	PSFKHZFOVIUUQU-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN(C)CC1CCCCCC1	679358753	KDXURPRCLFIVOU-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C(C)COC(=O)[C@H](CCC)C(C)C	763846714	UFGXTSNIAMELKG-LLVKDONJSA-N	198.306	3.178	30	20	AGED	
C=C(CC)COC(=O)CC(C)(C)CC	773521284	WRGOAEGJNTXSCX-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
CC(C)ON=C/C=C/c1ccccc1	835004217	OPYWXZOQTCPBKB-BJDWQIDWSA-N	189.258	3.111	30	20	AGED	
CC(CCc1ccco1)=NOC(C)C	835004690	WBZWRCHIBREVLW-UHFFFAOYSA-N	195.262	3.013	30	20	AGED	
C=CCCN[C@@H]1CCCC[C@H]1C(C)C	126077795	UFVGEWNFIBQKQD-QWHCGFSZSA-N	195.350	3.367	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC[C@H](CC)C1	157274615	WXSBUDCHPYIKIP-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1csc(C)c1	381671582	BZZMEBARLCOWPH-WCBMZHEXSA-N	195.331	3.282	30	20	AGED	
C=CCCC(CCC)=NN[C@H](C)CC	814913623	RLKOBPNHFMASHF-LLVKDONJSA-N	196.338	3.497	30	20	AGED	
C=CCN[C@@H]1C[C@H](C)CC[C@H]1C(C)C	35439030	NUKLOZQNJQRSBK-FRRDWIJNSA-N	195.350	3.223	30	20	AGED	
C#CCCCN(C)C1CCCCCC1	161078681	YOTSQVCXBROFGX-UHFFFAOYSA-N	193.334	3.054	30	20	AGED	
C=C(CC)CS[C@H](C)CCOC	307963587	ZIKFWRKOHGJXEU-SNVBAGLBSA-N	188.336	3.111	30	20	AGED	
CC[C@H](C)CN(CC)[C@@H](C)CCC#N	591015759	UGCWOQYPTKIXNX-RYUDHWBXSA-N	196.338	3.047	30	20	AGED	
C=CCN(CC=C)CC1CCCCC1	674709470	RFYDXQVMHGTZRY-UHFFFAOYSA-N	193.334	3.241	30	20	AGED	
C=CCCCN[C@H]1CCCC[C@@H]1C	70591402	HZCZDFVSPNMAPL-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](C)N[C@H](CC)CCC	224732246	MOAZQNVYZQXACN-GHMZBOCLSA-N	169.312	3.119	30	20	AGED	
C=CCCCCCCCCNC(C)=O	238085597	AKZUKQYCSJOZDG-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
Cc1cc([C@@H](C)S)cs1	307137870	YGJXIBMXVGXUBM-ZCFIWIBFSA-N	158.291	3.047	30	20	AGED	
CC(C)(C)CCSCC1(C#N)CC1	379398367	SSFKILUDHIARKV-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
Cc1sccc1C=NOC(C)(C)C	393485005	WZPIZSAUURWFFV-UHFFFAOYSA-N	197.303	3.206	30	20	AGED	
C=CCCN(C)CCCC(C)(C)C	393723873	QRNLZZAQBHZAEM-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C#CC(C)(C)Cc1ccccc1F	585142429	DJMFUEVKYJCIDO-UHFFFAOYSA-N	176.234	3.028	30	20	AGED	
C=C(C)CCN(CC)[C@H](C)CC	661104416	MJIRBYNBUIAWQV-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
C=CC[C@@H](C)C(C)=NO[C@@H](C)C=C	844625045	PQMFOWWCMALUNF-ZJUUUORDSA-N	181.279	3.166	30	20	AGED	
CC(C)(C)CC(C)(C)NCCCC#N	42254666	MWMKZELAZVNEAW-UHFFFAOYSA-N	196.338	3.095	30	20	AGED	
C=CCCSc1ccc(Cl)cn1	308164985	UJRIRMNYLQRBFU-UHFFFAOYSA-N	199.706	3.403	30	20	AGED	
C=C(C)CCN(C)[C@H](C)CCCC	308293132	INDPGHAEAOCJEQ-GFCCVEGCSA-N	183.339	3.463	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CC[C@H]1CC	378860809	PRFBOHLNUAROBV-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCCCN1CCCC[C@@H]1CC	393537497	KFLRQDGEEKDAPS-LBPRGKRZSA-N	181.323	3.217	30	20	AGED	
C=C[C@H](C)ON=C(C)CCCC	844623432	NIOIRLLFKWMWMX-JTQLQIEISA-N	169.268	3.144	30	20	AGED	
C(=NOCCCC1CCCC1)C1CC1	853734966	KWKRCIXKPALRJX-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=C[C@H](C)N[C@@H](C)C1CCCCC1	157234665	UPYHRLLPNZFOHG-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1ccccc1C	157265776	RIWNWFPKTZQGQR-NEPJUHHUSA-N	189.302	3.220	30	20	AGED	
CC[C@H]1CCCC(=NNCC(C)C)C1	771567162	OSKIZMOJNZUBQB-NSHDSACASA-N	196.338	3.188	30	20	AGED	
CC(C)CNN=C1CC[C@H](C)C[C@H]1C	783865071	VWFJUHJESQVYGP-WDEREUQCSA-N	196.338	3.044	30	20	AGED	
CCCCSc1ccccc1C#N	35164271	JOBPCMGWBCMMPA-UHFFFAOYSA-N	191.299	3.450	30	20	AGED	
N#Cc1ccc2c(c1)oc1ccccc12	98178803	UAWKBKHHKGFTSQ-UHFFFAOYSA-N	193.205	3.458	30	20	AGED	
C=CCOc1ccc(OCCC)cc1	103210432	OLEJLZKEAVZUJQ-UHFFFAOYSA-N	192.258	3.040	30	20	AGED	
CC#CCCSC[C@@H](C)CC	307888959	XILJAZCPZCQCNA-JTQLQIEISA-N	170.321	3.179	30	20	AGED	
C=C(CC)CSc1nc(C)c(C)[nH]1	378747568	MOGYCPRHQCXXEU-UHFFFAOYSA-N	196.319	3.085	30	20	AGED	
CCCC[C@@H]1CCCC1=NNCCC	727256397	ZGROEWDTBNJUAC-LLVKDONJSA-N	196.338	3.332	30	20	AGED	
CC[C@@H](C)NN=C1CCC[C@@H]1C(C)C	790187783	HJFSVIALHNIWOS-GHMZBOCLSA-N	196.338	3.187	30	20	AGED	
C=C[C@H](O)c1cccc2ccccc12	83813472	RTPZDQUSWPVXBL-ZDUSSCGKSA-N	184.238	3.059	30	20	AGED	
CCCCCCCN1CCCC1	114804113	WSEWTECTHIPONL-UHFFFAOYSA-N	169.312	3.053	30	20	AGED	
CC[C@@H]1CCC[C@H](CS)C1	307280896	GGXRNBIPWUBOQY-BDAKNGLRSA-N	158.310	3.133	30	20	AGED	
C=CC[C@@H](CC)NC[C@@H]1CC=CCC1	308574155	CWGPEQVPMJWMLA-CHWSQXEVSA-N	193.334	3.287	30	20	AGED	
C=CCCCN1C[C@H](C)CCC[C@H]1C	607742901	XUHFGFPQLFECSW-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C(C)CCNC1(CC(C)C)CC1	662065788	BJOKPLYPBPHBPL-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN(C)Cc1ccccc1	678623983	YZTHCGPEBLORCE-UHFFFAOYSA-N	189.302	3.085	30	20	AGED	
CC(C)CNN=C1C[C@H](C)C[C@@H](C)C1	771557876	QHNSDFAFDVIEOJ-GHMZBOCLSA-N	196.338	3.044	30	20	AGED	
C=CCON=C1C[C@@H](C)CC[C@@H]1C	835014612	JRVUXSRMDMSIHI-UWVGGRQHSA-N	181.279	3.001	30	20	AGED	
CC[C@@H](C#N)Nc1ccc(C)cc1C	43539060	FYDLVRKYYHIOEQ-NSHDSACASA-N	188.274	3.018	30	20	AGED	
C#CCCNc1cccc2c1CCCC2	70159624	VUFDLNHKLYZPJD-UHFFFAOYSA-N	199.297	3.001	30	20	AGED	
C=CCCN[C@@H]1CCC(C)(C)C[C@@H]1C	168502179	OWPIIQOEMQGMCY-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
O=CC1(CC2CC2)CCCCCC1	307441567	RYGHKWBJVXIFIT-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
CC[C@@H](C)NN=C1CCCCCC1	307547734	LRRZVUCMSKWRDF-SNVBAGLBSA-N	182.311	3.085	30	20	AGED	
C=CCCN1CCCC[C@H]1CCC	379391939	QUOAEZHGPITAOG-GFCCVEGCSA-N	181.323	3.217	30	20	AGED	
C=CCC[C@H](NCC(C)(C)C)C1CC1	393667912	FESOYVPHCGAVQW-LBPRGKRZSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H]1CCCN(CC(=C)Cl)C1	852411256	SCUZTFPVKGGCSZ-NSHDSACASA-N	199.725	3.027	30	20	AGED	
C=C(Cl)COc1cc(C)cc(C)c1	87555505	UVKGJQVUUJBQNY-UHFFFAOYSA-N	196.677	3.435	30	20	AGED	
CCCCCCCn1ccnc1C	113593766	MKUQCQQAMZMTHI-UHFFFAOYSA-N	180.295	3.162	30	20	AGED	
C=CCCCCN[C@H](C)C1CCC1	379408236	ASBLKZBRQGVZOS-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CCCC[C@@H](C)N(C)CCCCC#N	393691081	TZFSFCWLNCVBQZ-GFCCVEGCSA-N	196.338	3.191	30	20	AGED	
CCON=C(C)c1ccc(CC)cc1	767469610	OKXYNYKIXNDVRT-UHFFFAOYSA-N	191.274	3.010	30	20	AGED	
C[C@H]1CCC(=NNC2CCCCC2)C1	814909867	PDIGGCBGJGNWBH-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C#CCCCCCCNC1(C)CCC1	877163420	HYIJCWYEMLYLJZ-UHFFFAOYSA-N	193.334	3.102	30	20	AGED	
CCC1CCC(=NNCC(C)C)CC1	1319870438	XLLKVNFLABEQFF-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CCN[C@H](C)c1ccccc1Cl	19875800	JKFYPXWDRAXZHR-SECBINFHSA-N	195.693	3.177	30	20	AGED	
CC(C)Sc1ccccc1C#N	37685551	LORKBMFPBAYPGI-UHFFFAOYSA-N	177.272	3.059	30	20	AGED	
C=CCC[C@@H](C)NCc1ccc(C)o1	131991506	CRBUXPHCYHHEJI-SNVBAGLBSA-N	193.290	3.032	30	20	AGED	
C=CCNc1cccc(C(F)F)c1	306153770	CIYHCDCRLQXGJS-UHFFFAOYSA-N	183.201	3.222	30	20	AGED	
C#Cc1cccc(N[C@H](C)C2CCC2)c1	309150053	WEQYCBGTNOSGBI-LLVKDONJSA-N	199.297	3.268	30	20	AGED	
C#CCCCNc1ccc(C)c(C)c1	161054341	JRCXBPXNSKVONF-UHFFFAOYSA-N	187.286	3.129	30	20	AGED	
CC#CCSc1ccc(C)c(C)c1	307745543	SEOVROXBNNSRET-UHFFFAOYSA-N	190.311	3.419	30	20	AGED	
C=CCCCSC[C@H](CC)OC	591384545	MVIPWEXUPYHGRS-JTQLQIEISA-N	188.336	3.111	30	20	AGED	
CCC[C@H](CC)NC[C@@H](C)CCC#N	602545261	OVUOILBJQRLHMT-RYUDHWBXSA-N	196.338	3.095	30	20	AGED	
C=C(CC)CN1C[C@H]2CCCC[C@H]2C1	650016762	OVPCYTTVIPIJKV-BETUJISGSA-N	193.334	3.075	30	20	AGED	
C=C(C)CCOC(=O)C(C)(C)C(C)C	784525206	RNCMSIRQAMFQSO-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
CC1=CC(=NNC2CCCCC2)CC1	786042590	ZPHWWUYCWCCRBA-UHFFFAOYSA-N	192.306	3.005	30	20	AGED	
C=C(C)CON=C[C@@H]1CCC[C@@H](C)C1	844618253	NCKCPEMYLCHJLO-VXGBXAGGSA-N	195.306	3.391	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCC[C@H](F)C1	1332341520	WVOVCPNHEJICOF-SDDRHHMPSA-N	199.313	3.211	30	20	AGED	
CCCCCCCNC(=O)CCCC	105484961	RDJVYESNPYPWHR-UHFFFAOYSA-N	199.338	3.263	30	20	AGED	
C=C(Cl)CNC1(CC)CCCC1	394600736	PCRGKMFTISQLTM-UHFFFAOYSA-N	187.714	3.051	30	20	AGED	
C=CCCS[C@H](C)CCC	591385802	OGZKNTOZDFKAOQ-SECBINFHSA-N	158.310	3.484	30	20	AGED	
C=C(C)CN(C)C[C@@H]1CCC[C@@H](C)C1	679220449	YALCWVMLIWMMTL-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
CC(CC1CC1)=NN[C@H](C)C(C)(C)C	793115326	MAAZRMGNEPGXRX-SNVBAGLBSA-N	196.338	3.187	30	20	AGED	
C=CCCCCC(C)=NOCC=C	835014628	JXVDHPLTSJVHAU-UHFFFAOYSA-N	181.279	3.311	30	20	AGED	
C#CCCCSCCC1CCC1	853770445	IVQVIJLJNRJFBM-UHFFFAOYSA-N	182.332	3.323	30	20	AGED	
C=CCN[C@H](c1ccccc1)C(C)C	35046572	ZHKQVQOJDAYSIA-ZDUSSCGKSA-N	189.302	3.159	30	20	AGED	
C=CCC[C@H](C)N[C@@H](C)C1CCC1	164639236	CNVZROCJHFCGSD-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
C=C(C)C[C@]1(C=O)CCCC[C@H]1C	307622209	KZEXDKPIBRKZGO-NEPJUHHUSA-N	180.291	3.348	30	20	AGED	
C=CCCc1csc(C(C)C)n1	308123299	SJBKTPGGQSDACV-UHFFFAOYSA-N	181.304	3.385	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CCC[C@H]1C	308307587	PECATXKRSBFUHZ-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)C1CCC1	322451443	IEKQZJSXDZEQJZ-GFCCVEGCSA-N	195.350	3.367	30	20	AGED	
CC#CCNc1ccccc1C(F)F	644569291	GNMKLFYQRNGRQI-UHFFFAOYSA-N	195.212	3.059	30	20	AGED	
C=CCCCC[C@H](C)NCCCF	648479117	WPYLQIQIWILDKF-NSHDSACASA-N	187.302	3.071	30	20	AGED	
C=CCN1CCC[C@]1(C)CC(C)C	649827916	IQOGLFCFPBVEBO-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
CCC[C@@H](C)N[C@@H](C)CC(C)(C)C#N	695887554	RFMUKSFBLWFVDJ-MNOVXSKESA-N	196.338	3.093	30	20	AGED	
CC[C@H](C)NN=C(C)C1CCCCC1	790184587	XXJBLIVSMHGIJC-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
C=CC[C@@H]1CCCCC1=NOCC	853286176	IWOKBPPJROTENC-SNVBAGLBSA-N	181.279	3.145	30	20	AGED	
CC(C)Nc1ccc(C#N)cc1Cl	62790671	UXYOVDYLCGEGCJ-UHFFFAOYSA-N	194.665	3.032	30	20	AGED	
C=CCCN1CCC(CCC)CC1	308431071	TXSFBTUIENJETF-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCCN1CCCC2(CC2)C1	649450672	JIRVXZFRKVXOMQ-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C=CCC1(NC[C@H]2C[C@@H]2C)CCCC1	668624762	BCFURNLWSCGFSN-NWDGAFQWSA-N	193.334	3.121	30	20	AGED	
C=C(C)CCOC(=O)C=C(CC)CC	759565349	WQIISQNFGHJBJK-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
C=C[C@@](C)(CC)C(=O)OCC(=C)CC	785762121	QKSKWNYRBBHQGB-LBPRGKRZSA-N	196.290	3.098	30	20	AGED	
C=C[C@H](C)ON=C1C[C@H](C)CC[C@@H]1C	844620348	JZQGVGVVRXLKBV-VWYCJHECSA-N	195.306	3.390	30	20	AGED	
CC[C@@H]1CCC[C@@H](C(C)(C)C=O)C1	306461892	GTJCAGUPRUKAFA-GHMZBOCLSA-N	182.307	3.428	30	20	AGED	
CC#CCSCC/C=C\CC	379307503	WEQPRFGBTKUMRN-ALCCZGGFSA-N	168.305	3.099	30	20	AGED	
C=CCCCCN[C@@H](C)c1ccoc1	389264748	HYUFZLCITYMNTI-NSHDSACASA-N	193.290	3.287	30	20	AGED	
CCC(C)(C)CCSCCC#N	591133766	PQUZAXKDZSXKLK-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
CC(CC1CC1)=NNCCC(C)(C)C	782908123	QBGNTVKZCHEWAV-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C[C@H]1CCC(=NNc2ccccc2)C1	814684469	VEGIAAPVKNRFPJ-JTQLQIEISA-N	188.274	3.275	30	20	AGED	
CCCON=C[C@H]1C(C)=CCC[C@@H]1C	842554105	NMAMTTOUYYFTAP-RYUDHWBXSA-N	195.306	3.391	30	20	AGED	
N#Cc1ccc(SCC2CC2)cc1	258140862	SKCHKGNJKDRYTR-UHFFFAOYSA-N	189.283	3.060	30	20	AGED	
C=C(C)CSc1ccc(F)cc1	307329373	WSHNCBSHHQTMNI-UHFFFAOYSA-N	182.263	3.494	30	20	AGED	
Cc1cc(C)c2ccnc(C#N)c2c1C	521401402	KSCQPSPMZHIVGS-UHFFFAOYSA-N	196.253	3.032	30	20	AGED	
CCCC[C@H]1CCCC1=NNC1CC1	758128732	COLQWSXWNDIFAE-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CC[C@@H](C)C1	128509176	NICYVQQWVODKRV-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=CCCCn1cnc2ccccc21	160648115	WKHAPMGSZYLSDG-UHFFFAOYSA-N	186.258	3.003	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@H](C)[C@@H]1C	227247603	XLLXOQWWKQOKID-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN(CC)CC(C)(C)C	308373637	REGLFONFMDBUJX-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CCCCN1CCC[C@@H](CC)C1	379363877	LEXXKMXBAXLBKD-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCC[C@@H](N[C@H](C)CC)C1CC1	651176785	BSWGQFQTQCTCHM-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
CC[C@H]1CCC1=NNc1ccccc1	807942142	JVSPKIWHXRMKKV-JTQLQIEISA-N	188.274	3.275	30	20	AGED	
CCCCC#CC(=O)c1ccccc1	15779524	HSFBJUJAIDNREV-UHFFFAOYSA-N	186.254	3.063	30	20	AGED	
N#Cc1ccc(-c2cccs2)cc1	16945859	FLJORSLXGMBXBK-UHFFFAOYSA-N	185.251	3.287	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@H](C)C1	85057358	LHEQEGYZZVGHNM-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CCCNc1ccnc(C)c1Cl	306753417	JJZAZYVCEAIDLP-UHFFFAOYSA-N	196.681	3.031	30	20	AGED	
CC#CCCSC/C(C)=C\Cl	307871135	LNJRMHXEGRYDSJ-CLFYSBASSA-N	188.723	3.276	30	20	AGED	
C#Cc1cccc(NC2CCCC2)c1	19876818	BUIKIMWFJBXTSE-UHFFFAOYSA-N	185.270	3.022	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1sccc1C	157248779	NMNFCAAEKPSCTQ-ZJUUUORDSA-N	195.331	3.282	30	20	AGED	
C=CCCCN1CCC[C@H]1C(C)(C)C	605150734	URJWQFKFNVQLEE-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
C=CCCCCN1CC[C@H](C2CC2)C1	649402961	LHSZWIVTBXHPID-ZDUSSCGKSA-N	193.334	3.075	30	20	AGED	
C=CCSC[C@@H]1CC1(Cl)Cl	306926253	POGHDBOCANYMAZ-LURJTMIESA-N	197.130	3.099	30	20	AGED	
C=CC[C@H]1CCCC[C@H]1NC1CCC1	657912278	AVVGRSTWKLFNRZ-WCQYABFASA-N	193.334	3.263	30	20	AGED	
C=CCCCC(=O)N[C@@H](CC)CCC	748295046	CWGMJSMSJHJAIG-NSHDSACASA-N	197.322	3.038	30	20	AGED	
C=CC[C@H](C)N[C@H](C)c1ccccc1	38325131	GQUMJZCKNVXLIZ-NWDGAFQWSA-N	189.302	3.302	30	20	AGED	
C#CCCNc1ccc(C)cc1Cl	70159578	BPMKQBSJWZNJAX-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)C1CCCC1	161655619	UZVSIKSFINKLMG-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C#C[C@H](N[C@@H](C)CCCCC)C(C)C	301017244	ZYGIODTURDYZJS-STQMWFEESA-N	195.350	3.203	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCCC1(C)C	385073820	XCHQAWISFFNFDZ-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
C=CCCN1CC(C)(C)[C@H]2CCC[C@@H]21	645248465	VILGNVFWVBIWLA-RYUDHWBXSA-N	193.334	3.073	30	20	AGED	
C=CCCCCN(C(C)C)C1CC1	649247194	ZPYYLENVIJWUGX-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
CC(=NOCCC1CC1)C1CCCC1	814245515	WBRMJWRESUQUOM-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=CCC[C@H](NC/C=C\Cl)C1CC1	903443359	GRWZWMDQYXXNEY-OHYQPGSNSA-N	199.725	3.073	30	20	AGED	
CCC1(C=O)CCC(C(C)C)CC1	141269720	IGXPXGSEJIPGAQ-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
C=CCc1ccccc1OCC(F)F	680970923	MPPASJZQQFLBAD-UHFFFAOYSA-N	198.212	3.059	30	20	AGED	
CC(C)(C=NOC(C)(C)C)CCC#N	1253789526	OTSHGEGWVCGIKD-UHFFFAOYSA-N	196.294	3.117	30	20	AGED	
CC1CC(=NOC2CCCCC2)C1	306542676	VFUMSMVXKWDKOE-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=CC[C@@H](CC)NC(CC)CC	307981266	OUZXMMRGVVRHRJ-LLVKDONJSA-N	169.312	3.119	30	20	AGED	
C=CCCCNC(C(C)C)C(C)C	308185991	FSZOBUUOBSRYLE-UHFFFAOYSA-N	183.339	3.223	30	20	AGED	
CCC(C=NOC(C)(C)C)CC	388452465	YWQZXNGUZOWYIU-UHFFFAOYSA-N	171.284	3.224	30	20	AGED	
C=C(C)CN(CC)c1ccccc1F	590929993	LKUBLHGVTYZEPD-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
C=CCCN[C@H](CCC)CCC=C	658117566	XGXGFFFZPPUEGT-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
C=CCC1(NCC(=C)CC)CCCC1	661852375	SSHSWGLNXLLRJU-UHFFFAOYSA-N	193.334	3.431	30	20	AGED	
C=CCCC(=NNCCCC)C1CC1	747752975	JJYFYVQDRGAHOF-UHFFFAOYSA-N	194.322	3.108	30	20	AGED	
CCCON=C1CCCC[C@@H]1CC	842554913	RTXXHRXGARKOGF-JTQLQIEISA-N	183.295	3.369	30	20	AGED	
C#CCCCN[C@H](CC)C[C@H](C)CC	224308659	VYKIFDAVXRYARD-CHWSQXEVSA-N	195.350	3.204	30	20	AGED	
CC(C)[C@@H](C)SCCCCC#N	224964175	ZRAKDTKJZUCSBT-SNVBAGLBSA-N	185.336	3.458	30	20	AGED	
CCSCc1ccc(C#N)cc1C	229177608	MJFLXTHVLLGYIX-UHFFFAOYSA-N	191.299	3.120	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC[C@@H](C)C1	308298731	KZMZSFSNVKOVAI-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCCC1(C)CC1	308646433	HVEHBEGLLFJJRL-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
CCC[C@@H](CC)S[C@@H](C)C#N	379243899	ZBVMVRMNVHQNCG-DTWKUNHWSA-N	171.309	3.210	30	20	AGED	
CCC[C@H](CC)NC[C@H](C)CCC#N	602545258	OVUOILBJQRLHMT-NEPJUHHUSA-N	196.338	3.095	30	20	AGED	
C=CCCNC1(CC=C)CCCC1	661848683	NPGROSHMOUPPDV-UHFFFAOYSA-N	179.307	3.041	30	20	AGED	
C=C(C)CCN1CCC[C@@H]2CCC[C@@H]21	681403463	KEYHVFHRBMDSEJ-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C1CCCC(=NNC2CCCC2)CC1	727652428	ILFINZVWDGOYKP-UHFFFAOYSA-N	194.322	3.229	30	20	AGED	
Cc1cc(CSCCC#N)cs1	1332285244	RICGOPUYQXLUCX-UHFFFAOYSA-N	197.328	3.203	30	20	AGED	
C=C(c1ccc(C#N)cc1)C(F)(F)F	16947920	YMCLDFVIIXBKHP-UHFFFAOYSA-N	197.159	3.134	30	20	AGED	
Cc1ccccc1CS[C@H](C)C#N	47820190	NPVFFUGDLHDJSP-SNVBAGLBSA-N	191.299	3.140	30	20	AGED	
C#CCNc1ccc(C(C)(C)C)cc1	49136056	SVFRMEXULMVNJD-UHFFFAOYSA-N	187.286	3.029	30	20	AGED	
S[C@H]1CCCc2sccc21	61326662	RRKKBFDAGRFMGL-ZETCQYMHSA-N	170.302	3.055	30	20	AGED	
C=CCC[C@H](C)NCCC(C)(C)C	164599468	PWYCWGAUIHMSFM-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC1(CC)CC1	651396594	PDGPANZPXXMOMT-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
CC(C)ON=C1CCCCCC1	835004573	XQBPPVDPKYZPMK-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C#Cc1cccc(N[C@H]2CCC[C@H]2C)c1	83389507	LOVVFIVRLBAAPP-RISCZKNCSA-N	199.297	3.268	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCC(C)(C)C1	164445705	QZOKBEGEYIYZQG-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
CCN(CCCC(C)(C)C)[C@H](C)C#N	595820166	KJMKLKPYOFRXFA-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
C=CCC[C@H](NCCC)c1ccco1	70594958	CUNQCDSCNIJQOE-NSHDSACASA-N	193.290	3.287	30	20	AGED	
C#CCCCOc1cc(C)cc(C)c1	75421166	UMFMATAXJQUNRH-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C=CCCNc1ccc(F)c(Cl)c1	96867229	XZCHIZBZJOKDDU-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
N#Cc1ccccc1SCC1CC1	306888508	WEPLCHYEZVHTHE-UHFFFAOYSA-N	189.283	3.060	30	20	AGED	
C#CCCSc1cc(F)ccc1F	82496862	RVVKSEMOAYNLOK-UHFFFAOYSA-N	198.237	3.080	30	20	AGED	
C#CCCCSc1cccs1	161035153	JFNRJKDNYOEYLB-UHFFFAOYSA-N	182.313	3.254	30	20	AGED	
CC[C@@H](C#N)SC[C@H](C)CC	232040721	XLQOBSNTBMWCDH-BDAKNGLRSA-N	171.309	3.068	30	20	AGED	
C=CCCSCc1nc(C)cs1	388423037	IRQDIQDUBMPQTE-UHFFFAOYSA-N	199.344	3.261	30	20	AGED	
C#CCCCN(C(C)C)C1CCCC1	766918495	QDLUCOMQEHIVNX-UHFFFAOYSA-N	193.334	3.053	30	20	AGED	
CCCC[C@@H](C)C(C)=NNCC(C)C	1329439188	HDLSLFUZAXROCI-LLVKDONJSA-N	198.354	3.434	30	20	AGED	
CC(C)[C@H](S)c1cccs1	42330424	ZUYCKRNUESHWAI-QMMMGPOBSA-N	172.318	3.375	30	20	AGED	
C=C(C)CN(C1CC1)[C@H](C)[C@@H](C)CC	591475406	RSQGEIROJUYGPA-NWDGAFQWSA-N	195.350	3.462	30	20	AGED	
C=CCN(C)[C@@H](C)c1ccccc1C	615464059	QUBCQFLWYBNSGE-LBPRGKRZSA-N	189.302	3.174	30	20	AGED	
C=CCCc1noc(/C=C(/C)CC)n1	651359647	IMTRTKXTIXHWOE-HJWRWDBZSA-N	192.262	3.002	30	20	AGED	
C[C@H]1CC(=NOCC2CC2)C[C@H](C)C1	814244560	ZURYWNAVGZLPMV-NXEZZACHSA-N	195.306	3.225	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCC[C@@H](C)C1	126885933	CZBBYUQGUBYUQY-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCN(CC)C(CC)CC	308244942	UWRTUVBYKZNSLZ-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
CC(C)(CC#N)CSC1CCC1	594900269	YBQIRFMYJSWOHD-UHFFFAOYSA-N	183.320	3.212	30	20	AGED	
C[C@H]1CCCC[C@H]1SCCC#N	600555202	IHGZFWRMRNFWSW-VHSXEESVSA-N	183.320	3.212	30	20	AGED	
CCCNN=C1C[C@@H](C)CC[C@H]1CC	797401239	ABUAJRJLLWKEJE-WDEREUQCSA-N	196.338	3.188	30	20	AGED	
CCCCCCCCNC(=O)CCC	105714973	VXSFQHSSWSRGLQ-UHFFFAOYSA-N	199.338	3.263	30	20	AGED	
C=CC[C@@H](C)N[C@@H](CC)CCC	224732155	MOAZQNVYZQXACN-MNOVXSKESA-N	169.312	3.119	30	20	AGED	
CC#CCCOc1cccc(C)c1C	231329889	NMZSBUJOZFVXNT-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C=CCCCC[C@H](C)NC1CCC1	308252789	IQKYJWQQDMJLAK-NSHDSACASA-N	181.323	3.263	30	20	AGED	
C=C(C)c1ccc(CNC(C)C)cc1	629730280	VLSNGKSGNDPWKA-UHFFFAOYSA-N	189.302	3.218	30	20	AGED	
C=CC[C@H]1CCCCC1=NOCC	853286175	IWOKBPPJROTENC-JTQLQIEISA-N	181.279	3.145	30	20	AGED	
C=CC[C@@H](C)NCC1CCCCC1	159271908	DMMFAEXLZCPDLS-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@H](C)NCC1(C2CC2)CC1	230668989	KPYRRZNNEXIPFY-NSHDSACASA-N	193.334	3.121	30	20	AGED	
O=CC1([C@H]2C=CCCC2)CCCC1	306180167	XVPUBOZRFVBGHW-NSHDSACASA-N	178.275	3.102	30	20	AGED	
CC1(C)CCC(C=O)(C2CC2)CC1	306732372	RWCSDHNWRJXSLT-UHFFFAOYSA-N	180.291	3.182	30	20	AGED	
C=CCN(Cc1cccs1)C(C)C	308145858	LNIIWYHJBQLPMB-UHFFFAOYSA-N	195.331	3.145	30	20	AGED	
CON=C1CCC[C@H](CC(C)C)C1	308502479	XOIIHLJTRKIQDO-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=CCCCCN[C@@H](CC)C1CC1	388607646	WKLAWQPUYBEKIN-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN(CC)C(CC)CC	393591141	PXEQJJZHBSZHNC-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
C=CCN(C)[C@@H](C)c1ccc(C)cc1	642641951	LDEMPKIICMOJNM-LBPRGKRZSA-N	189.302	3.174	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC/C=C/CC	648716717	MJCSNANIACBOST-BRQSLIGTSA-N	181.323	3.143	30	20	AGED	
C=C(C)CON=C1CCCCCC1	844614903	JHAWGPFBLIVFCM-UHFFFAOYSA-N	181.279	3.289	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CC=CCC1	126877598	MRGPGKOPYGWNSA-NWDGAFQWSA-N	179.307	3.039	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1ccccc1C	157265638	RIWNWFPKTZQGQR-VXGBXAGGSA-N	189.302	3.220	30	20	AGED	
C=CCCN(CC)c1ccccc1	308475382	LTAUKQDIPMJMHQ-UHFFFAOYSA-N	175.275	3.089	30	20	AGED	
C=CCC(C)(C)CN[C@H](C)CC1CC1	310554161	HJHWXKSMYOSGBX-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
CCCCCC=NOCC(C)C	388448009	WKMCNCZQSROGNQ-UHFFFAOYSA-N	171.284	3.225	30	20	AGED	
C=CC[C@@H](C)N[C@H]1CCCC12CCC2	394783907	JDNSNQKEXGMXSG-NEPJUHHUSA-N	193.334	3.263	30	20	AGED	
CCC[C@H](NCCCC#N)C(C)(C)C	590755471	VDRJUQIWHTYNOZ-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=C(C)CN(CC)CCC=C(C)C	659829037	KKMMHDCXURFWQH-UHFFFAOYSA-N	181.323	3.241	30	20	AGED	
CCC(=NOC1CCC1)[C@@H]1CC1(C)C	841640394	ZIZNCPHRNHFSBT-JTQLQIEISA-N	195.306	3.368	30	20	AGED	
C=C[C@H](C)ON=C[C@@H](C)C(C)(C)C	844624946	KJSBAZSLUDUNHU-ZJUUUORDSA-N	183.295	3.246	30	20	AGED	
CCC(CC)=NNc1cccc(F)c1	920384126	PEHNIQAQSBABOI-UHFFFAOYSA-N	194.253	3.414	30	20	AGED	
C=C(Cl)CN[C@@H]1CCC12CCCC2	306466430	KRQVLGZQAACJTJ-SNVBAGLBSA-N	199.725	3.051	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)CC1CC1	308318060	WWBWUDRQGUMYKF-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
CC[C@H](C)NN=C1CC(C)(C)C[C@@H]1C	766028466	BKBBEAXMVNFWCM-UWVGGRQHSA-N	196.338	3.187	30	20	AGED	
CC[C@H](C)CON=C[C@H]1CC[C@H](C)C1	793146504	UATIJTIGDTVYOA-SRVKXCTJSA-N	197.322	3.471	30	20	AGED	
C#CCCCS[C@@H](C)CCC	842178539	OYOSBACHHUBUDG-JTQLQIEISA-N	170.321	3.322	30	20	AGED	
C=C(CC)CN[C@H](C)CCCC	85058290	AQCYRSZCZNYSGX-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
C=CCN(C)c1cccc2ccccc12	142784008	XGKRRGPSIXDRCU-UHFFFAOYSA-N	197.281	3.462	30	20	AGED	
C=C(C)C[C@]1(C=O)CCC[C@@H](C)C1	306328022	ZAIKYPZJQASUGS-VXGBXAGGSA-N	180.291	3.348	30	20	AGED	
C=CC[C@H](C)NCC(C(C)C)C(C)C	379506025	WFEHIROPJYTJLJ-LBPRGKRZSA-N	197.366	3.469	30	20	AGED	
C=C(CC)CSC/C=C\C	393478461	ISJOXPREJZWPRS-XQRVVYSFSA-N	156.294	3.262	30	20	AGED	
CC(C)[C@H](C)S[C@H]1CC[C@@H](C#N)C1	590726928	OIBLVUIDLJFQQL-AXFHLTTASA-N	197.347	3.456	30	20	AGED	
C=CCCCCSC[C@H](C)OC	591388976	VGXMFPSYNNEVSH-JTQLQIEISA-N	188.336	3.111	30	20	AGED	
C=CCCCN1CCC[C@@H](C(C)C)C1	682042095	ONMJZXDXHRXJPZ-CYBMUJFWSA-N	195.350	3.321	30	20	AGED	
C(=NNc1ccccc1)C1CCCC1	741836801	FFYXXPGDKPOFQL-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
CC(C)=CCCC(C)=NNCC(C)C	771557621	HIFNRNNZKNGRKS-UHFFFAOYSA-N	196.338	3.354	30	20	AGED	
C=CCCSc1ccc(O)cc1	70595306	RGEHHPJQHNZENN-UHFFFAOYSA-N	180.272	3.060	30	20	AGED	
C=CCCC[C@H](C)NCc1ccco1	133585909	GJZGDWLTESFWMF-NSHDSACASA-N	193.290	3.114	30	20	AGED	
C=CCN(CC=C)CCCC(C)C	308334314	MUPQOEWKWDKQDU-UHFFFAOYSA-N	181.323	3.097	30	20	AGED	
C=CCCCN(C)C[C@@H]1CC=CCC1	678275287	QNCYGHPHTJOTMR-CYBMUJFWSA-N	193.334	3.241	30	20	AGED	
CC[C@@H]1CCCC1=NOCCC1CC1	814247059	PECGBUPNVJIOHT-LLVKDONJSA-N	195.306	3.369	30	20	AGED	
C#C[C@H](N[C@@H](CC)CCCC)C(C)C	300930696	NTGKFOMEIBRBFR-STQMWFEESA-N	195.350	3.203	30	20	AGED	
C=C(Cl)CN1[C@@H](CC)CC[C@H]1C	306300460	YSYOXQSBVUXSDT-ZJUUUORDSA-N	187.714	3.002	30	20	AGED	
C=C(C)CCNC1[C@H](C)CCC[C@H]1C	308648827	JFLWMKDTQUKUKT-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C#C[C@H](CC)NCC(CC)(CC)CC	389237447	WSQMULXEMBSSOJ-GFCCVEGCSA-N	195.350	3.204	30	20	AGED	
C#CCCN1CC[C@H](C)c2ccccc21	389378824	BUBSFSVMKWRKHK-LBPRGKRZSA-N	199.297	3.024	30	20	AGED	
C=CCC[C@@H](NCC(C)(C)C)C1CC1	393667911	FESOYVPHCGAVQW-GFCCVEGCSA-N	195.350	3.367	30	20	AGED	
C=C(C)CN1CC[C@H](C2CCCC2)C1	643254404	PFMOWPIPCPMDEP-ZDUSSCGKSA-N	193.334	3.075	30	20	AGED	
CC[C@H]1CCCC1=NNC1CCCC1	758371314	WSISJZZYOUTPBU-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C=C[C@](C)(CC)C(=O)OC[C@@H](C)CC	785755094	UJYLLJIVZFBNDX-CMPLNLGQSA-N	198.306	3.178	30	20	AGED	
C=CCCCCOC(=O)/C(C)=C\CC	811011785	MMVZQFMYSFBEOH-LUAWRHEFSA-N	196.290	3.242	30	20	AGED	
CC(C)(C)ON=C1CC[C@H]1C1CCC1	1117703841	GQKPKURZDRRXFA-JTQLQIEISA-N	195.306	3.368	30	20	AGED	
C=C(C)CCOc1ccccc1F	167996252	UDVPYWJROKBHLX-UHFFFAOYSA-N	180.222	3.171	30	20	AGED	
CC1(C)CCC(C=O)(CCF)CC1	307650121	JSGZKEIHIOHRBI-UHFFFAOYSA-N	186.270	3.132	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC/C=C/C1CC1	382331662	WQTDUKVHEPEPGW-YILIYONBSA-N	193.334	3.143	30	20	AGED	
CC#CCCN1CCCC[C@@H]1CCC	680892511	LKUVFMKFTWSAJU-ZDUSSCGKSA-N	193.334	3.054	30	20	AGED	
CC(C)CNN=C[C@@H]1CCCC[C@H]1C	783863351	KPDNFVKAIPWCKP-NEPJUHHUSA-N	196.338	3.044	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1cc(C)c(C)o1	379668571	ZWJGFQFDKXGOMY-NXEZZACHSA-N	193.290	3.122	30	20	AGED	
C=CCCN[C@@H](CC)C1CCCC1	387485976	XKNQNIKUIGZUDG-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
CC(C)C[C@H](C)C=NOC(C)(C)C	388838158	XUAFAZFDLISCJD-JTQLQIEISA-N	185.311	3.470	30	20	AGED	
Cc1sccc1C=NOCC(C)C	393943117	MOSMLFAFIKIXRB-UHFFFAOYSA-N	197.303	3.063	30	20	AGED	
C=CCSCCC1CCC1	596338415	PLOSELCWHQHWAH-UHFFFAOYSA-N	156.294	3.096	30	20	AGED	
C=CCCCCCOC(=O)/C(C)=C\C	784041021	SVWFLHKFDSGKGW-WZUFQYTHSA-N	196.290	3.242	30	20	AGED	
C=CCON=C(C)CC(C)(C)C	835015554	RHXXRFBFCLRPQO-UHFFFAOYSA-N	169.268	3.001	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@@H](C)C1	844624645	YPFCAFUDUOJLRU-NXEZZACHSA-N	181.279	3.144	30	20	AGED	
C=C(C)CCN(CCC)CCC	34514138	SAPCHQBNXDVAFL-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
Cc1cccc(CSCCC#N)c1	54965693	YPGNWUDUXQPZOR-UHFFFAOYSA-N	191.299	3.142	30	20	AGED	
C=CCCCN[C@H](C)C1CCCC1	70592502	NVQPKDUZZUKIAR-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CC(C)(C=O)Cc1cccc(Cl)c1	84932316	XQEZBQCWPJAOBY-UHFFFAOYSA-N	196.677	3.108	30	20	AGED	
CCCCCCCNC[C@@H]1C[C@H]1C	166828668	WCVAQJVSSOSXPY-NEPJUHHUSA-N	183.339	3.202	30	20	AGED	
C=CCCCCNC(=O)CCCCC	681145951	JHIZZIFHEALXJE-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=CC1CCN(CC2(C)CCC2)CC1	683697780	BFIULGNUXZGQOO-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
C=CC[C@@H](CC)N[C@H](C)c1ccco1	308722043	DOVNQTIGJSDNLH-GHMZBOCLSA-N	193.290	3.285	30	20	AGED	
C=CCCCSc1ccncc1C	378784884	JEUYCVGLEZDRSM-UHFFFAOYSA-N	193.315	3.448	30	20	AGED	
CC(C)(CC#N)CSCC1CC1	594897923	XNCCULFREAPVJR-UHFFFAOYSA-N	183.320	3.069	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@H]1C(C)C	648727762	HKRLMHBBPBQFKQ-QWHCGFSZSA-N	195.350	3.367	30	20	AGED	
C=CCN(C[C@H](C)CC(C)C)C1CC1	685003136	MRCJZALRNNZKPG-GFCCVEGCSA-N	195.350	3.319	30	20	AGED	
C=C(C)CCOC(=O)[C@H](C)[C@@H](C)CC	780392114	ILOASTXVHQDVAY-WDEREUQCSA-N	198.306	3.178	30	20	AGED	
CC(C)C[C@@H](C)C=NOC(C)C	835002778	OEOOBJTWPWPRGN-SNVBAGLBSA-N	171.284	3.079	30	20	AGED	
C=C(Cl)COc1cccc(C)c1	70233649	JGWWGQZQOAFHFW-UHFFFAOYSA-N	182.650	3.126	30	20	AGED	
C=CCC[C@H](N)c1ccc(Cl)cc1	70594073	FHAXINPIBOWKET-NSHDSACASA-N	195.693	3.306	30	20	AGED	
CCC[C@H](C)N(C)CCC(C)(C)C#N	83640525	NNUUTOQPUVCOHK-NSHDSACASA-N	196.338	3.047	30	20	AGED	
CC[C@@](C)(C=O)C1CCCCC1	306350063	VBHCZSACTTUJEB-NSHDSACASA-N	168.280	3.182	30	20	AGED	
C=C(C)CN1C[C@H](C)CCC[C@@H]1C	307745687	SLOGUYYEAPXNOC-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=C(C)CCN(C)Cc1cccs1	308411694	LUMBPEMGKJZZGU-UHFFFAOYSA-N	195.331	3.146	30	20	AGED	
CCCC(C)(C)NC[C@@H](C)CCC#N	602538563	FYSXQACWVHFRGB-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CCCCCCn1cc(C)nc1C	631014428	SEOHSZAWGWHWNR-UHFFFAOYSA-N	192.306	3.246	30	20	AGED	
C=CCC1(NCCCC)CCCC1	661848960	PDXHLEZGHYBSGT-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
C=C(CC)CN1CCC[C@@H]2CCC[C@H]21	678624719	MREDBNZPRGRQPG-QWHCGFSZSA-N	193.334	3.217	30	20	AGED	
C=CCN(C)C[C@H]1CCC[C@@H](CC)C1	681758367	VPPLEEFWTFRJCM-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
C=CCON=C1CCC[C@H](C2CC2)C1	835016359	UOAIHSSSGBGEQE-NSHDSACASA-N	193.290	3.145	30	20	AGED	
C=C/C=C\CCSCC1(C#N)CC1	1339183047	LZMLMDVBLZVKHU-ARJAWSKDSA-N	193.315	3.156	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@@H](C)[C@@H]1C	85057195	BEUFXAJKBGPJSH-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
Cc1ccc([C@H](C)S)cc1F	87284382	XEJMHBSDDGHDPU-ZETCQYMHSA-N	170.252	3.125	30	20	AGED	
C=CCCCCCN(CC)CC	141041215	XRLMJBYUTMONLS-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
C=CCN1CCC[C@H]1c1ccsc1	307045165	UXOKDXJDFVFUSW-NSHDSACASA-N	193.315	3.071	30	20	AGED	
CCCC(CCC)SCC#N	307933370	WIRNWGTVRYEMTQ-UHFFFAOYSA-N	171.309	3.212	30	20	AGED	
CCCC(CC)=NOC/C=C\Cl	307984323	QLSYGPBAGXZHPR-ISLHGUSQSA-N	189.686	3.322	30	20	AGED	
C=C(C)CS[C@@H](C)c1cccnc1	308322668	ZRHSPFDEGHCYNM-JTQLQIEISA-N	193.315	3.452	30	20	AGED	
C=CCC1(NCC=C(C)C)CCCC1	657702654	MSMBPTBXVBGUSU-UHFFFAOYSA-N	193.334	3.431	30	20	AGED	
C=CCCCC(=O)OCCCC(C)C	749024790	JTMLQMBJMVHEHJ-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
Cc1ccc(NN=C[C@H]2C[C@@H]2C)cc1	758360612	XWCQOSQZIRPAKB-WDEREUQCSA-N	188.274	3.049	30	20	AGED	
C=C[C@@H](C)ON=C1CCCC12CCC2	844621307	YFGOPNIJCRISNH-SNVBAGLBSA-N	193.290	3.288	30	20	AGED	
CC#CCCOc1cc(C)ccc1C	157747448	UNGIIFKLAMJNDA-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
CC(C)(C)CSCC1(CC#N)CC1	594900092	UWSVLTJEFFVNQU-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=CCCCCCN(C)C(C)(C)C	646088595	IIBCDXXZFSLHGY-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
C=CCCCN1CCC[C@H](C2CC2)C1	677028478	LNKCBVLFNIYGAR-ZDUSSCGKSA-N	193.334	3.075	30	20	AGED	
CC1CCC(C=O)(CC2CC2)CC1	306727059	MKQTULSPXDMVKN-UHFFFAOYSA-N	180.291	3.182	30	20	AGED	
C=C[C@H](C)Nc1ccnc(C)c1Cl	307502696	OATNCFDDEPUACG-ZETCQYMHSA-N	196.681	3.030	30	20	AGED	
C=C(CC)CSCc1nccs1	379311678	PIYNNGGFYUCGMX-UHFFFAOYSA-N	199.344	3.343	30	20	AGED	
C=CCON=C1C=C(C)CC(C)(C)C1	835012328	RXLHSUQBOISGNF-UHFFFAOYSA-N	193.290	3.311	30	20	AGED	
C=CCCNC1(C2CCCCC2)CC1	934789693	LRGSKXCMTSNROR-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=CCN(C)[C@@H](C)C1CCCCC1	39074840	VBJIWABZKRCHHL-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C[C@]1(c2cccc3ccccc23)CO1	55032427	CTROMVDPOVCOIK-CYBMUJFWSA-N	184.238	3.085	30	20	AGED	
O=CC1(C2CCCCC2)CCCC1	84446452	KYFHXJAPDSOJII-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=C[C@@H](C)N[C@@H](CC)c1ccccc1	157229540	PKCKJQUOROMSDG-YPMHNXCESA-N	189.302	3.302	30	20	AGED	
C=CCCCCN[C@H](C)[C@@H](C)CC	308164553	YSTSZSVSTGKRBP-NWDGAFQWSA-N	183.339	3.367	30	20	AGED	
C=C(C)CCN[C@H](C)CC1CCC1	386943457	WCQPAXJPYUCMCW-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CCC(C=NOCC(C)C)CC	393320729	JBSDUQBCHLIOJS-UHFFFAOYSA-N	171.284	3.081	30	20	AGED	
CC(C)(C)CCCn1ccc(C#N)c1	619622571	CCWOPTJYOGHSPF-UHFFFAOYSA-N	190.290	3.186	30	20	AGED	
CC[C@@H](C)NN=C1CC(C)(C)C[C@H]1C	766028462	BKBBEAXMVNFWCM-NXEZZACHSA-N	196.338	3.187	30	20	AGED	
CC#CCNc1cccc(Cl)c1C	51662859	SMIIADPVKFBUDR-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCC[C@@H](CC)NCc1ccco1	166307418	BDIYEOGECHISOS-LLVKDONJSA-N	193.290	3.114	30	20	AGED	
C=CCCCCCCNC(=O)CCC	224832238	TZGVXCVWVOLXKG-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
CC(C)(C=O)[C@@H]1C=CCCCCC1	316500055	VLZVGJSVQMOKBP-LLVKDONJSA-N	180.291	3.348	30	20	AGED	
CC[C@H](C)NN=C1CC[C@@H](C)C[C@@H]1C	790189524	OOAHGYCXWAXALT-VWYCJHECSA-N	196.338	3.187	30	20	AGED	
C=C(C)CCOC(=O)/C(C)=C(\C)CC	803425396	IRBKZKLAXBLWKS-ZHACJKMWSA-N	196.290	3.242	30	20	AGED	
C=CCOCSc1cccc(C)c1	865352564	MVEDLBYKGNDUPA-UHFFFAOYSA-N	194.299	3.247	30	20	AGED	
C=C(C)CN[C@H](C)c1ccccc1C	49855312	OODPNSKCOHNHOZ-GFCCVEGCSA-N	189.302	3.222	30	20	AGED	
C[C@H]1CCC[C@](C=O)(C2CCC2)C1	306469107	OSQOGZFUGYFCLS-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
CCON=C(C)CCC=C(C)C	308168469	VQIRMDCNNJMMSE-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@H]1CC[C@H](C)C1	308648812	JETXGZOVRYLNDA-CYDGBPFRSA-N	195.350	3.365	30	20	AGED	
C=CC[C@H](C)[C@@H](C)N[C@H]1CCC1(C)C	379652832	HGNRBVLDHQNHCW-TUAOUCFPSA-N	195.350	3.365	30	20	AGED	
C=C(C)CN1CCC(C)(C(C)C)CC1	681703632	KPZMAOUNNFHIBX-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=CCCC(=O)N[C@@H](C)CCCCC	726496441	XRAKTMOHKBRUCR-NSHDSACASA-N	197.322	3.038	30	20	AGED	
C=CCC1(C(=O)O)CCC(CC)CC1	86351076	FOZKXELSIGJFLN-UHFFFAOYSA-N	196.290	3.234	30	20	AGED	
CCCCOc1cc(C#N)ccc1C	229947542	ZIMWLQQGZDJZLM-UHFFFAOYSA-N	189.258	3.046	30	20	AGED	
C=CCCN1CCCC[C@H]1C(C)C	308155518	QWDYFCOQMOBYON-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=C[C@H](C)N[C@H](C)CCC=C(C)C	308252472	IJVFBGRMUHOPHX-NWDGAFQWSA-N	181.323	3.285	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CCC[C@@H]1C	308307590	PECATXKRSBFUHZ-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC[C@H]1CC1(C)C	308685269	ZDJBPLQFKWGDAQ-QJPTWQEYSA-N	195.350	3.223	30	20	AGED	
CC(C)ON=C1CC[C@H](C)C[C@@H]1C	835003339	SFNCUWXVCOCAQM-UWVGGRQHSA-N	183.295	3.224	30	20	AGED	
SC1CCC2(CCCC2)CC1	161395940	OGXXILIRJYXMQC-UHFFFAOYSA-N	170.321	3.419	30	20	AGED	
N#CCC[C@H]1CCCCC1(F)F	260948918	LRYCCMATBASPOK-MRVPVSSYSA-N	173.206	3.116	30	20	AGED	
CCC(=NOC)c1ccc(Cl)cc1	308319995	XVVQFEIMEXWDBY-UHFFFAOYSA-N	197.665	3.101	30	20	AGED	
C=CCCN1CCC[C@H](CCC)C1	308375833	SCBMLRRSYCYGKP-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CCCCCN1C[C@H](C)C[C@H]1C	649320776	MYQGZVLLGHXZIJ-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCCCNN=C1CCCC12CCC2	834940943	SBYWUJWZNQMVOL-UHFFFAOYSA-N	194.322	3.086	30	20	AGED	
CC[C@@H](C)CON=C1CCC[C@@H]1C	308310976	RHLDODDSEFOFCG-ZJUUUORDSA-N	183.295	3.225	30	20	AGED	
C=CCCCN(CCC)CC1CC1	308359495	LUVLQGANCUHKTA-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCN[C@H](C)c1ccc(CC)o1	658117033	QYIYOHXZVVNOOX-SNVBAGLBSA-N	193.290	3.069	30	20	AGED	
CCC(=NOC(C)(C)C)c1ccco1	1324258367	LTZCFHNZOXVTJB-UHFFFAOYSA-N	195.262	3.209	30	20	AGED	
CCCSc1ccccc1C#N	20077599	ONQUCCRLLAQDSG-UHFFFAOYSA-N	177.272	3.060	30	20	AGED	
C=C(CC)C[C@@H]1CCCCC[C@H]1O	85064607	KZMLIQNNNPTPBP-NWDGAFQWSA-N	182.307	3.284	30	20	AGED	
C=C(CC)CN[C@@H]1[C@@H](C)CCC[C@H]1C	308595251	MFGZBHGOVIISNJ-ITGUQSILSA-N	195.350	3.367	30	20	AGED	
CCCCNN=C1CCC[C@H]1C(C)C	747753328	NQCYCKCHERKTDZ-NSHDSACASA-N	196.338	3.188	30	20	AGED	
C=C(CC)COC(=O)C1(C)CCCC1	773456057	IMMHSSRSEGMOCW-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(CC)COC(=O)[C@@H](C)C(C)(C)C	773515617	NEJCAIOKQZESDM-SNVBAGLBSA-N	198.306	3.178	30	20	AGED	
CC[C@@H](C)NN=C(C)CC1CCCC1	790188181	IALWACIEMOOCJF-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
Cc1cc(Cl)ccc1CS	147925762	KOKPPZSEWKSGIB-UHFFFAOYSA-N	172.680	3.078	30	20	AGED	
C#C[C@H](C)NC(CC(C)C)CC(C)C	166440623	TWWAQVRFLBKTBG-LBPRGKRZSA-N	195.350	3.059	30	20	AGED	
C=CCc1cccc2ccoc12	238099490	KNESYTDDENDTPY-UHFFFAOYSA-N	158.200	3.161	30	20	AGED	
C=CCCCCN[C@H](CC)[C@@H]1C[C@@H]1C	322094845	XAGRAWXPSBICEY-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@H](NCCCC)C1CC1	381924257	MTLVFLLWIWFNJF-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
CCC(CC)(CC)[C@@H]1C[C@@H]1C=O	521400404	KYOFMXJVJGAKPA-NXEZZACHSA-N	168.280	3.038	30	20	AGED	
CCCNN=C(CC(C)(C)C)C1CC1	787153902	RNBXDGWGKRZCGL-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CC[C@@H]1CCCCC1=NNCCC	853288857	IELLXZMIRDJZFC-LLVKDONJSA-N	194.322	3.108	30	20	AGED	
CC#CCNc1ccccc1CCC	51663599	GIWMRXRJSGKJCG-UHFFFAOYSA-N	187.286	3.074	30	20	AGED	
C=CCCNc1cc(Cl)ccc1F	70591582	ALFXIPAORDIFOV-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCC[C@@H](N)c1ccccc1Cl	70594833	VSNCCPWAXIXQOG-LLVKDONJSA-N	195.693	3.306	30	20	AGED	
C=CCCCOc1cccc(F)c1	82865235	KNDFWZLZFHDFQS-UHFFFAOYSA-N	180.222	3.171	30	20	AGED	
C#C[C@H](CC)NC1CCCCCCC1	229508597	ZMJNVCFKLJZZRS-GFCCVEGCSA-N	193.334	3.101	30	20	AGED	
CC[C@H](C#N)S[C@@H](C)C(C)C	232039601	ZRVRVUZRTOYQFK-DTWKUNHWSA-N	171.309	3.066	30	20	AGED	
CC#CCNc1cccc(C(F)F)c1	306298085	DHKIHUDOQWBEBS-UHFFFAOYSA-N	195.212	3.059	30	20	AGED	
C=CCCSc1cccs1	306473483	ITUHTPUZFMXNPM-UHFFFAOYSA-N	170.302	3.416	30	20	AGED	
C=CC(C)(C)CNc1cc(C)ccn1	307253541	VNWHKXXQSULKOX-UHFFFAOYSA-N	190.290	3.014	30	20	AGED	
C=CCCC(CC)=NNCCCC	308415527	NBBGUWDLPCVHTL-UHFFFAOYSA-N	182.311	3.108	30	20	AGED	
C=CCC[C@@H](C)N[C@@H]1CCCC[C@H]1F	378723091	HFMOVOSTGWXVHH-IJLUTSLNSA-N	199.313	3.211	30	20	AGED	
C[C@H](NN=C1CC[C@@H](C)C1)C(C)(C)C	814937971	SSWPITOZZKDWRF-ZJUUUORDSA-N	196.338	3.187	30	20	AGED	
C#CCCCNc1cc(C)ccc1C	161045885	QLBBGZPDZSJVBR-UHFFFAOYSA-N	187.286	3.129	30	20	AGED	
C=C(C)CCN[C@@H](C)c1ccsc1	168985085	XGJSXVYPEFACKL-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C=CC1CCN(CCC=C(C)C)CC1	659916064	KVXSLNAYVFOWKM-UHFFFAOYSA-N	193.334	3.241	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@@H]1C(C)C	790187788	HJFSVIALHNIWOS-WDEREUQCSA-N	196.338	3.187	30	20	AGED	
CCC(=NOC1CCCC1)[C@@H]1C[C@@H]1C	841632311	VIKCCSYZNQDPMW-GXSJLCMTSA-N	195.306	3.368	30	20	AGED	
CCC(C)=NNc1cc(F)ccc1F	901320370	NQAKPEJSXRKEIZ-UHFFFAOYSA-N	198.216	3.163	30	20	AGED	
C=CC[C@H](C)NC1CC2(CCCC2)C1	925424826	BDPXOGLYMCILBY-NSHDSACASA-N	193.334	3.263	30	20	AGED	
CCCCCCCCC(=O)NC1CC1	106167166	SCGWRAZLXRDLGO-UHFFFAOYSA-N	197.322	3.016	30	20	AGED	
CC[C@@H](C#N)SCC(C)(C)C	307684024	IGABVPBJASYNGZ-QMMMGPOBSA-N	171.309	3.068	30	20	AGED	
C=CCCCN1CCC(CCC)CC1	1116196501	JSOZKMJQMKGDRJ-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC(C)CC[C@H](C)NCCCCC#N	70184460	XRFWNFPXLMTBOH-LBPRGKRZSA-N	196.338	3.095	30	20	AGED	
C=CCSC1=Nc2ccccc2C1	306928761	ZGLMZTZTOJSNSJ-UHFFFAOYSA-N	189.283	3.192	30	20	AGED	
C=C(Cl)CN(CCC)CC(C)C	307977463	MHFBWSGBYXUGNZ-UHFFFAOYSA-N	189.730	3.107	30	20	AGED	
C=C(CC)CNC1(CC)CCCC1	382550628	FWTBDWSMNZLCAW-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]1C=O	521400252	HFVCLAQVAWZUQZ-WISYIIOYSA-N	180.291	3.038	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC1(CC)CC1	651396593	PDGPANZPXXMOMT-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
CC(C)(C)c1ccc([C@@]2(C)CO2)cc1	19729126	SGOJRJMVDKSOMA-CYBMUJFWSA-N	190.286	3.230	30	20	AGED	
C#CCCCSc1ccc(F)cc1	161018647	QSBNFEUGMHJWTO-UHFFFAOYSA-N	194.274	3.331	30	20	AGED	
C=CCC[C@H](CC)NCc1ccco1	166307333	BDIYEOGECHISOS-NSHDSACASA-N	193.290	3.114	30	20	AGED	
CC1(C=O)CCC(C(C)(C)C)CC1	238139748	JGTRQZAGFGCPIB-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
CCCNN=C(C)[C@@H]1CCCC[C@@H]1C	834940350	DQMIKPFWISJOPM-CMPLNLGQSA-N	196.338	3.188	30	20	AGED	
C=CCON=C1CCC[C@H]1C(C)C	835013398	RGOWLGOGQAUKEK-JTQLQIEISA-N	181.279	3.001	30	20	AGED	
C=C(C)CN[C@@H](C)c1cc(C)oc1C	51753594	AUQVGZWMNLJFBH-JTQLQIEISA-N	193.290	3.123	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)c1ccccc1	124851900	GQUMJZCKNVXLIZ-NEPJUHHUSA-N	189.302	3.302	30	20	AGED	
C=CC[C@H](CC)NCc1occc1C	389277019	PLSWGJULAPFFDU-NSHDSACASA-N	193.290	3.032	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)C(C)(C)CC	651263611	KCVUBEMOGMVONQ-MNOVXSKESA-N	183.339	3.365	30	20	AGED	
C=C(Cl)CSC1CCC1	829758231	IGKAPHVAVBKOJV-UHFFFAOYSA-N	162.685	3.025	30	20	AGED	
CC[C@H](C)NN=C1C[C@@H](C)CC[C@@H]1C	834972781	JKHMDCGKCNPHBL-DCAQKATOSA-N	196.338	3.187	30	20	AGED	
C=CCC[C@H](C)NCC(CC)CC	164605980	NVUOASIUUHOJCO-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=C(Cl)CSCC(=C)CC	306576788	UFGCMUZKADAATK-UHFFFAOYSA-N	176.712	3.438	30	20	AGED	
C#Cc1cccc(NCCCC2CC2)c1	389698636	JIAUPHJHMUCOAF-UHFFFAOYSA-N	199.297	3.270	30	20	AGED	
C=CCN1CCC(C2CCCC2)CC1	608502549	YLVPKULNYFUGKA-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
C=CCCCNC1(CC=C)CCCC1	661849463	WIJVXACFALBXFK-UHFFFAOYSA-N	193.334	3.431	30	20	AGED	
CC(C)ON=C1CC[C@H](C)[C@H](C)C1	835003684	YBLKBUWQLZYBMG-VHSXEESVSA-N	183.295	3.224	30	20	AGED	
CC[C@@H](C)CC=NOCC1CCC1	853440913	OXAIPEWTKSMHOC-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=CC[C@H](C)Nc1nc(CC)cs1	122699914	PAUSXZMNROPFQT-QMMMGPOBSA-N	196.319	3.082	30	20	AGED	
CC(C)[C@@H]1CCC[C@@H](S)C1	231006288	QPZKBFKNTOOXQX-RKDXNWHRSA-N	158.310	3.131	30	20	AGED	
C=C(C)c1cc(F)ccc1OCC	649444554	ZQXIIXDATRGRMR-UHFFFAOYSA-N	180.222	3.258	30	20	AGED	
C=C(C)CN(C)c1ccc(C)cc1C	917084640	XYYQNDDZQCUFDW-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C	157303248	ZEQPLMIUBRWZOU-GRYCIOLGSA-N	195.350	3.365	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)CC1CCC1	161644271	OUFJIJQGFADBEJ-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C#C[C@H](CC)N[C@@H](CC)C[C@@H](C)CC	229892683	XMKTYHWIFMBHEG-XQQFMLRXSA-N	195.350	3.203	30	20	AGED	
C#Cc1ccc(-c2ccsc2)s1	585144173	FQHBQCIUBXUABR-UHFFFAOYSA-N	190.292	3.458	30	20	AGED	
C=C(C)CCN1C[C@H](C)CCC[C@H]1C	681403841	LKUFKYLVTLFOCX-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=CCN(CCCC(C)(C)C)C1CC1	682029267	JYUFXHKIRFSWFE-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=C(C)COC(=O)C(CCC)CCC	753441116	YRYMMROYJQBJEN-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1ccc(CC)o1	122996855	JJIXICIDEMWMQM-UWVGGRQHSA-N	193.290	3.067	30	20	AGED	
CC(C)C[C@]1(C=O)C[C@H]2CC[C@H]1C2	306223709	ZQYQZURKYCBPCC-SDDRHHMPSA-N	180.291	3.038	30	20	AGED	
C=CC(C)(C)CNCc1cccs1	384902744	AZXFETIKHUGHMW-UHFFFAOYSA-N	195.331	3.050	30	20	AGED	
C=CCCSc1ccncc1C	393509217	XGSXIRARXGHEJX-UHFFFAOYSA-N	179.288	3.058	30	20	AGED	
C=CCCCN1CCC[C@H](CC)CC1	605151287	LXCDGTYLRYMNJO-ZDUSSCGKSA-N	195.350	3.465	30	20	AGED	
C=CCN(C)[C@@H](CC)c1ccccc1	621277093	UCVGVUVPUGNGNZ-ZDUSSCGKSA-N	189.302	3.256	30	20	AGED	
C=CCCOC(=O)[C@H](C)C(CC)CC	761493427	UKWHKYQDLIBNSW-SNVBAGLBSA-N	198.306	3.178	30	20	AGED	
CC(C)ON=C1C[C@H](C)CC[C@@H]1C	835002568	QASSTPPLFQKMSI-ZJUUUORDSA-N	183.295	3.224	30	20	AGED	
Cc1ccc(C(C)(C)C)cc1C#N	36180485	VNUVVRMAVAPSNI-UHFFFAOYSA-N	173.259	3.164	30	20	AGED	
C=CCCNc1ccc(F)c(C)c1	70592336	SUOUNVFWBLNQBV-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1ccccc1F	136203911	DAFDMLBBDMQLLG-NXEZZACHSA-N	193.265	3.051	30	20	AGED	
C=C(C)CN1CCC(C)(CC)CC1	307182866	OPOGKFZMNJIAPR-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCCN[C@@H]1CCC1(C)C	308132526	FZYINHGRXFYLHM-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=C(C)CCN1CC(C)(C)C[C@H]1C	665221898	PSLXHZSKALSRQR-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
CC(C)CNN=C1CC[C@@H](C)[C@@H](C)C1	767385507	KLZXEGGPHXNRTR-MNOVXSKESA-N	196.338	3.044	30	20	AGED	
CCCON=C[C@H](C)c1ccccc1	842566232	YCHUKRYCEPXILT-NSHDSACASA-N	191.274	3.203	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@@H](C)[C@H]1C	844621756	MLVLSHYBLRHBQP-OUAUKWLOSA-N	195.306	3.390	30	20	AGED	
C=C(Cl)CN[C@H](C)c1ccccc1	37488670	YHEYBJXULXRNIF-SNVBAGLBSA-N	195.693	3.090	30	20	AGED	
C=C(Cl)CN(C)c1ccc(C)cc1	306856595	XFXUPTYXIAVKPG-UHFFFAOYSA-N	195.693	3.184	30	20	AGED	
CCCON=C1C[C@H](C)C[C@@H](C)C1	842553668	KEOVJFRKCPYQBV-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
CCCC[C@H](CC)N[C@H](CC)CC#N	68987655	KPNJCELVJPIEGH-NWDGAFQWSA-N	196.338	3.237	30	20	AGED	
C=CCCCNc1ccc(F)c(F)c1	70591366	KHUIAWDNFGWDHI-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=CCCOc1cc(C)ccc1F	82940197	NBFDAWGATHIYCT-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
O=CC1(C2CCCCCC2)CCC1	306343814	LRTWGRISWOLHOH-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
CC1(C)CCC([C@H]2C[C@@H]2C=O)CC1	521401262	WELWMDVWYAOBPX-GHMZBOCLSA-N	180.291	3.038	30	20	AGED	
C=CCCOC(=O)[C@@H](C)C(CC)CC	761493425	UKWHKYQDLIBNSW-JTQLQIEISA-N	198.306	3.178	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)C1CCCCC1	157234804	UPYHRLLPNZFOHG-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C=C[C@H](C)N[C@H](CC)c1cccs1	157243662	BNUPTOUKFQGJFU-VHSXEESVSA-N	195.331	3.363	30	20	AGED	
C=C[C@@H](C)N[C@H]1CCCC(C)(C)C1	157433274	SGZTZQGZSWLBAW-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C=CCC[C@@H](CC)N[C@@H](C)C1CC1	308214742	IJSSTXMIQGRAHE-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
CCON=C1C[C@@H](C)CC[C@H]1CC	388298573	MQAOMSVJDZCTPZ-VHSXEESVSA-N	183.295	3.225	30	20	AGED	
C=C(C)CN(c1ccccc1)C(C)C	674785740	SQSHXBUHGUYKRD-UHFFFAOYSA-N	189.302	3.478	30	20	AGED	
C=C(CC)CN1CC[C@@H](C(C)(C)C)C1	680112250	QGICCIQABJFOTK-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
Cc1ccsc1[C@H](C)S	69636449	YFCYJODJWSZWRM-LURJTMIESA-N	158.291	3.047	30	20	AGED	
C=CCC[C@@H](C)N[C@@H](C)C1CCC1	164639340	CNVZROCJHFCGSD-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
CCCC1(C=O)CCCCCC1	307032927	QMBAUWUKXULQAL-UHFFFAOYSA-N	168.280	3.326	30	20	AGED	
CCON=C(C)c1cc(C)ccc1C	767469546	NDWMPHAGMSXOHT-UHFFFAOYSA-N	191.274	3.064	30	20	AGED	
C[C@@H]1CCCCC1=NOCC1CCC1	853440098	SOJJBZWIDHXHPO-SNVBAGLBSA-N	195.306	3.369	30	20	AGED	
CC(C)(C=O)C[C@H]1CCC(F)(F)C1	307041492	KUKJXEVXMSHRJG-MRVPVSSYSA-N	190.233	3.037	30	20	AGED	
CCCC(CC)=NOC/C=C/Cl	307984320	QLSYGPBAGXZHPR-HOABGUFQSA-N	189.686	3.322	30	20	AGED	
C=CCCOC(=O)CCC1CCCC1	729073340	RNTOIQORZVWMNG-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(C)CCC(=O)NC(C)(C)CCC	1353553995	LYVLXLDWDQMGAJ-UHFFFAOYSA-N	197.322	3.038	30	20	AGED	
C=C(C)CN1CCCC(C)(C)CC1	306389815	XKKMHXXLJORVEN-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
Cl/C=C/CON=C1CCC12CCC2	379372087	JAWQVWAXVNVAMY-CSHLRNTCSA-N	199.681	3.076	30	20	AGED	
C=CCCCN[C@H](C)CC(C)(C)C	384884626	KMGGYJLUPJEYBM-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=C(C)CCN[C@H]1CCC[C@@H]1C(C)C	648727761	HKRLMHBBPBQFKQ-OLZOCXBDSA-N	195.350	3.367	30	20	AGED	
C=CCCc1noc(/C(C)=C/CC)n1	651356332	QFJULEWOHMLYSH-VQHVLOKHSA-N	192.262	3.002	30	20	AGED	
C=CCCN[C@H](C)CCC=C(C)C	658116993	PUTDUJHBGPSRNT-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
C#CCCCN(C)CCCCCC=C	766902595	LLIBGYGYKHSYPM-UHFFFAOYSA-N	193.334	3.078	30	20	AGED	
CCC[C@@H](C=NOC)c1ccccc1	769569941	MNDFMXNPQZEEJA-LBPRGKRZSA-N	191.274	3.203	30	20	AGED	
CC[C@H](C)NN=C[C@@H]1CCC[C@@H](C)C1	790184522	XKYSKFFGMZUCNL-GRYCIOLGSA-N	196.338	3.187	30	20	AGED	
C=CCCC(=NOCC(=C)C)C1CC1	844619001	RHLCMTHZYPHHMV-UHFFFAOYSA-N	193.290	3.311	30	20	AGED	
CCC(CC)CN(CC)CCCC#N	42270202	WEIHXFCGVDYVLP-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CCC[C@@H](CCC)NCCC	70594491	SEZBQFOHCJHTQK-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
CCCCCCCNC(=O)[C@H](C)CC	104596950	BUFJTNNYTGMFFM-LLVKDONJSA-N	199.338	3.119	30	20	AGED	
CC[C@H](C)NN=C1CCCCCC1	307547733	LRRZVUCMSKWRDF-JTQLQIEISA-N	182.311	3.085	30	20	AGED	
C#CCCCCN[C@H](C)C(C)(C)CC	834680763	IVIFAYKICXHEMA-GFCCVEGCSA-N	195.350	3.204	30	20	AGED	
Cc1cccc(SCCC#N)c1	40696055	IPIYMNHNVWUISK-UHFFFAOYSA-N	177.272	3.001	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCCC[C@H]1F	378723092	HFMOVOSTGWXVHH-QJPTWQEYSA-N	199.313	3.211	30	20	AGED	
CCCCC(C)=NOC/C=C\Cl	379330668	YAWLNICEWYIJSQ-ISLHGUSQSA-N	189.686	3.322	30	20	AGED	
C=CCCCN1CCC[C@H](CC)C1	379363878	LEXXKMXBAXLBKD-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
CC[C@H](C)CON=C(C)CC1CC1	388845372	ZGNQYWJMCIYPCC-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCC(C)(C)C=C	648733034	MYWWDPGWCGHSJH-RYUDHWBXSA-N	195.350	3.389	30	20	AGED	
C=CC[C@@H]1N(CCF)CCCC1(C)C	769954592	VETIYXJIMDYTJQ-NSHDSACASA-N	199.313	3.023	30	20	AGED	
C=CCCCCOC(=O)/C=C/C=C/C	811010800	YBQIAKCPPROGKU-ONNLMXTPSA-N	194.274	3.018	30	20	AGED	
C=CC[C@H](C)NC[C@H]1CCC[C@H](C)C1	161242787	HDCQXFMGUJWOLF-AVGNSLFASA-N	195.350	3.367	30	20	AGED	
C=CCSC/C(C)=C\Cl	306563908	PTFNTCHRZWSCCI-ALCCZGGFSA-N	162.685	3.048	30	20	AGED	
C=CCC[C@H](NC1CC1)c1ccco1	308509446	KGKCQVPNEIPZQX-NSHDSACASA-N	191.274	3.039	30	20	AGED	
C=CCCCN(C)CC1CCCCC1	605149800	UTYLHEVPFPTSPP-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C(C)COC(=O)/C=C/C(=C\C)CC	767665774	RTNSIVKNKUBHEW-HKCZQACCSA-N	194.274	3.018	30	20	AGED	
C=C(CC)COC(=O)/C=C(/C)CCC	773500028	VAGHOGDMNBRYCP-FLIBITNWSA-N	196.290	3.242	30	20	AGED	
CC(C)CCC=NOCC1CCC1	853441405	UFMXWTPXXUCQRL-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
CC1CCC(CC2(C=O)CC2)CC1	307562407	KVRMCXVRBQHFSN-UHFFFAOYSA-N	180.291	3.182	30	20	AGED	
C=C(C)CSCCC(F)(F)F	379304471	SARZMNQGAWYBQH-UHFFFAOYSA-N	184.226	3.248	30	20	AGED	
CCCCC(CC)=NN[C@@H](C)CC	379410640	GMEGXLGEENKOPA-JTQLQIEISA-N	184.327	3.331	30	20	AGED	
C=CCC[C@@H](C)N[C@H]1CCC[C@@H]2C[C@H]12	657231806	UYDCXNSQICQXMY-NDBYEHHHSA-N	193.334	3.119	30	20	AGED	
C=CCN(C)C[C@@H]1C(C)=CCC[C@H]1C	682407065	WQVAGTOEAXSBFO-CHWSQXEVSA-N	193.334	3.097	30	20	AGED	
CC[C@H](C)NN=C(C)CC(C)(C)C	834971717	AJBASWNLHVCKTE-VIFPVBQESA-N	184.327	3.187	30	20	AGED	
C=CCON=C(C)[C@H]1CCCC[C@H]1C	835014569	IYCUAXSFCGMFKO-PWSUYJOCSA-N	195.306	3.391	30	20	AGED	
C=C[C@@H](C)ON=C(C)CCCCC#N	844620764	PDAGKUOSALDYHG-LLVKDONJSA-N	194.278	3.037	30	20	AGED	
C=C(CC)CN[C@@H](C)c1ccc(C)o1	85057729	GGFGNJCCKCYNPK-NSHDSACASA-N	193.290	3.205	30	20	AGED	
C=C(CNCCCC)c1ccccc1	116321112	AJPSFRRSHJXBEI-UHFFFAOYSA-N	189.302	3.090	30	20	AGED	
CC[C@@H]1CCC[C@@](C=O)(C2CC2)C1	306311076	RIDDUYMCOJEZGO-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=CCCN1CCC[C@H](CC)CC1	308233012	PQXKXZBWEVNXCI-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1ccc(F)cc1	157279726	CBDJXAAOVXMKFH-NXEZZACHSA-N	193.265	3.051	30	20	AGED	
C=C(C)CN(C)[C@H]1CCC[C@@H](C)C1	307752385	RLGCCDLHCTZACY-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCCNC[C@@H]1CC=CCC1	308523270	ZHGPJICHKZTRII-CYBMUJFWSA-N	193.334	3.289	30	20	AGED	
C=C(CC)CSCc1conc1C	596350559	VMEUPUQCZDSMLQ-UHFFFAOYSA-N	197.303	3.182	30	20	AGED	
C=C(C)CCNc1cc(Cl)ccn1	1348194349	DDLYFQADHLWWEI-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=CCCN[C@H](CC)c1ccccc1	70592239	PHEYVTXADIQGFB-CYBMUJFWSA-N	189.302	3.303	30	20	AGED	
C=CC(=O)NCCCCCCCCC	114789138	VDHDIPGCUFYGIL-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=CCOC(=O)C1CCCCCCC1	220873932	PJSHFSUVORCFAY-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)C1C(C)(C)C1(C)C	308650626	KETGWDPEDPKYPE-ZJUUUORDSA-N	195.350	3.221	30	20	AGED	
CCCC(CC)=NOCCC1CC1	388361166	SRBQNWMBNIAXCY-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=C(CC)CN[C@@H](C)CCC1CC1	398129761	DTZGQTLRQIODLJ-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCCCC[C@@H](C)N[C@H](C)C=C	648474781	COKCEWVYNNVKKD-VXGBXAGGSA-N	181.323	3.285	30	20	AGED	
CCC1CCC(=NOC(C)C)CC1	835004209	OMOTUHXVHPEQRQ-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
CC[C@H]1CCCC[C@H]1CS	147838687	YWOXYIBCBPEJGY-IUCAKERBSA-N	158.310	3.133	30	20	AGED	
CCCC[C@H](CC)CN[C@H](C)CC#N	219411462	WRHQWESPDNAXEK-NEPJUHHUSA-N	196.338	3.095	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CCCC[C@H]1C	307558286	DDWYVCMLUMSVGK-QJPTWQEYSA-N	182.307	3.428	30	20	AGED	
CCC(C=NOCCC1CC1)CC	379384283	NKSYVDGOYCGJPW-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=C(C)c1ccc(SCC)nc1	649444242	JXCIAVMWUKCEPT-UHFFFAOYSA-N	179.288	3.227	30	20	AGED	
C=C[C@H]1CCCCN1CC/C=C/CC	683792956	IVVAFQYCQCOXPN-GFUIURDCSA-N	193.334	3.383	30	20	AGED	
CC#CCOc1cccc2ccccc12	6820200	IQJXEZGBIKWQMS-UHFFFAOYSA-N	196.249	3.242	30	20	AGED	
C=CCCNC1CCCCCCC1	70591314	OMKAZDCJUDQDJG-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
CCCCCCCn1nc(C)cc1C	111223553	WXSRWXMTXJSJKQ-UHFFFAOYSA-N	194.322	3.470	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1ccc(C)s1	157218225	WZAPAZKSQMODEN-PSASIEDQSA-N	195.331	3.282	30	20	AGED	
CC(C)[C@H](C)S[C@H]1CC[C@H](C#N)C1	590726931	OIBLVUIDLJFQQL-DCAQKATOSA-N	197.347	3.456	30	20	AGED	
C[C@@H]1CCCC[C@H]1SCCC#N	600555189	IHGZFWRMRNFWSW-NXEZZACHSA-N	183.320	3.212	30	20	AGED	
C=CCCCC[C@H](C)N[C@@H](C)C=C	648474780	COKCEWVYNNVKKD-RYUDHWBXSA-N	181.323	3.285	30	20	AGED	
C#C[C@H](C)N[C@@H](C)CCCCCCC	166493595	UZFFODWWHLZPLB-STQMWFEESA-N	195.350	3.347	30	20	AGED	
C=C(C)CSc1ccc(C#N)cc1	307016145	ONGIIXXQSBBBKY-UHFFFAOYSA-N	189.283	3.226	30	20	AGED	
C=CCCN1CCC[C@@H](CC)CC1	308233011	PQXKXZBWEVNXCI-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CC[C@H]1N(CC=C)CCCC1(C)C	683528170	WIMRENCUOVUNHP-GFCCVEGCSA-N	193.334	3.239	30	20	AGED	
CCCCNN=C1CC(C)(C)C[C@H]1C	766011794	SABQMCLORTYZRJ-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
CC1(C)CCC1=NNc1ccccc1	788928340	GXJXIPXDWIYPCC-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
CCC(CC)CNN=C1CCC1(C)C	789051599	VIDYVPZTIQNMHA-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
N#CC1(c2ccc(Cl)cc2F)CC1	75934302	KVBGOFKRPWEPOF-UHFFFAOYSA-N	195.624	3.034	30	20	AGED	
CCC[C@H](S)[C@H]1CC1(C)C	306571393	FYYNVDFQEPDXBI-SFYZADRCSA-N	158.310	3.131	30	20	AGED	
CC[C@H]1CCCC1=NOC(C)(C)C	379382460	IXIJYFVCLVTVFI-VIFPVBQESA-N	183.295	3.368	30	20	AGED	
FCC[C@H]1CCCC1=NOC1CCC1	812235775	QGVMUSUUHYRIBQ-SECBINFHSA-N	199.269	3.071	30	20	AGED	
C=C(C)CCSCCCSC	307930908	VEFIUBFKMNSPNN-UHFFFAOYSA-N	190.377	3.439	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)CCCC	384936593	JGFIJZFUAUMUET-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=CCCCC[C@@H](C)NC1CC=CC1	648480574	UBQKHVVSYPBDQE-GFCCVEGCSA-N	193.334	3.430	30	20	AGED	
CC(CCC1CC1)=NNC1CCCC1	768769293	UXAGKOVKPOCJQX-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC#CCSc1ccccc1Cl	38234904	MIZMSILPNPRDSL-UHFFFAOYSA-N	196.702	3.455	30	20	AGED	
CCCSCCC(C)(C)C#N	83640623	KMOXMBIVGLCIES-UHFFFAOYSA-N	171.309	3.069	30	20	AGED	
CC[C@H](C)CS[C@H](C)CCC#N	591128260	ZWQDBMOXJHLYKB-VHSXEESVSA-N	185.336	3.458	30	20	AGED	
C=CCCCN(C)[C@H]1CCCC[C@H]1C	605149749	JIZUCKPJJQKWQM-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
CC(=NOC(C)C)c1cc(C)oc1C	835004532	QURSMZXBAFVNED-UHFFFAOYSA-N	195.262	3.045	30	20	AGED	
C=C(Cl)CN1[C@H](C)CCC[C@H]1C	306305197	DSZWLXFNSMAUJC-NXEZZACHSA-N	187.714	3.002	30	20	AGED	
C[C@H](S)[C@H]1CC2CCC1CC2	307573547	BXNXAWPYZPMTPO-AUXWQGHOSA-N	170.321	3.131	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)[C@@H](C)CC	388640520	OKCQFQRZZKFJGK-SRVKXCTJSA-N	183.339	3.365	30	20	AGED	
CC(C)[C@@H]1[C@@H](C=O)[C@@H]1C1CCCCC1	536952277	AUKBJYVTNAQGJA-UPJWGTAASA-N	194.318	3.284	30	20	AGED	
C=C(CC)CN1CCC[C@H]2CCC[C@@H]21	678624718	MREDBNZPRGRQPG-OLZOCXBDSA-N	193.334	3.217	30	20	AGED	
C=C(C)CN1c2ccccc2C[C@@H]1C	680881627	WPOKYOURUSPGDE-NSHDSACASA-N	187.286	3.014	30	20	AGED	
C=CCCCOC(=O)[C@@H](C)[C@@H](C)CC	780243470	QSCQEXHABCMEFK-QWRGUYRKSA-N	198.306	3.178	30	20	AGED	
CC(CC(C)(C)C)=NNC1CCCC1	834953884	OVJFXEQXAHTGHB-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
COc1ccc2c(c1)[C@@H](S)CCC2	31889816	BYYRYQUTKDQPKE-NSHDSACASA-N	194.299	3.002	30	20	AGED	
CC1(CS)CCCCCC1	307405194	DPEDTYLMSODDBR-UHFFFAOYSA-N	158.310	3.277	30	20	AGED	
C=CCN(CC(C)C)C(CC)CC	308244447	UOWPWJXPJYCLAM-UHFFFAOYSA-N	183.339	3.319	30	20	AGED	
C=CCCC[C@@H](C)N[C@@H](C)C1CC1	308278045	VYNQUCFVZRECSY-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C=CCCN1CCC[C@@H]1C1CCCC1	606897059	KVBAXFVQCWALEB-CYBMUJFWSA-N	193.334	3.217	30	20	AGED	
C#Cc1cccc(N[C@H](C)C(C)C)c1	19876921	YZIFSVRJYDQELB-LLVKDONJSA-N	187.286	3.124	30	20	AGED	
C[C@@H]1CC[C@H](C(C)(C)C=O)C[C@H]1C	306450283	CCYYZKPXGMNUCX-MXWKQRLJSA-N	182.307	3.284	30	20	AGED	
C#C[C@H](CC)N[C@H](C)[C@@H](C)CCCC	308749155	SVIUOPPVLZUDCE-YNEHKIRRSA-N	195.350	3.203	30	20	AGED	
C=C(C)CCOC(=O)C1(C)CCCC1	744303305	VMQNNGZINAMUBW-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C[C@H](C)ON=C[C@@H]1CCCC[C@@H]1C	844622406	YUEZEGRQWLAKFJ-SRVKXCTJSA-N	195.306	3.390	30	20	AGED	
C#Cc1cccc(N[C@@H]2CC[C@H](C)C2)c1	70747542	ITTMEEKGKNJAHQ-SMDDNHRTSA-N	199.297	3.268	30	20	AGED	
C#CCCSC1CCCCC1	82496871	KRZPSYHDPVMYSF-UHFFFAOYSA-N	168.305	3.076	30	20	AGED	
C=CCCN[C@@H]1CCC[C@@H](CC)C1	82847619	WNTPCAVMCINXAU-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(CC)COc1cccc(C)c1	85071477	YDGHCFJBYZNLEW-UHFFFAOYSA-N	176.259	3.340	30	20	AGED	
CON=C1C[C@H](C)CC[C@@H]1C(C)C	308503009	XVGYFVQATJHGNU-NXEZZACHSA-N	183.295	3.081	30	20	AGED	
CC(C)C(C=NOC1CCC1)C(C)C	812235130	MOGJCXFUNFQGNZ-UHFFFAOYSA-N	197.322	3.470	30	20	AGED	
C=CCC(C)(C)C(=O)OC/C(C)=C/C	842847344	WMVLHQJPLSSALL-JXMROGBWSA-N	196.290	3.098	30	20	AGED	
CC[C@@H](C#N)S[C@H](C)C(C)C	232039604	ZRVRVUZRTOYQFK-BDAKNGLRSA-N	171.309	3.066	30	20	AGED	
C=CCC[C@H](C)NC[C@@H]1CC[C@H](C)C1	300240248	CQKNDLWYIZTULU-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN(C(C)C)C1CCC1	308141293	IQGQEQIVQDEMTE-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C=CCCN(C(C)C)C1CCCC1	379419178	XMOKHSBKYJXYFU-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C=C[C@@H](C)ON=C(C)c1ccsc1	844624667	MOJOGQSPEYXIPE-MRVPVSSYSA-N	195.287	3.063	30	20	AGED	
C=C(C)CN(C)[C@@H]1CCC[C@H](C)C1	307752386	RLGCCDLHCTZACY-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CCCCCCC[C@@H](C)NCCF	388622863	HWBSZEWAVMVBEN-LLVKDONJSA-N	189.318	3.295	30	20	AGED	
C=CCCN[C@H](C1CCCC1)C1CC1	658112927	BAVJZUPWHWMLRW-CYBMUJFWSA-N	193.334	3.121	30	20	AGED	
CC[C@@H](C)CON=C[C@@H]1CC=CCC1	793159972	SHMSYHXYIRVFJJ-VXGBXAGGSA-N	195.306	3.391	30	20	AGED	
C=C(C)CCN[C@H](C)c1ccccc1	168050962	PTEBLGWIOCADBH-GFCCVEGCSA-N	189.302	3.303	30	20	AGED	
C=C(CC)CN1C[C@@H](C)C[C@H]1CC	388607148	WBBZGXVMKGJJTL-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=CCC[C@@H](CC)NC/C=C/CC	648716754	SJZKJCNETDJVQD-YPUOHESYSA-N	181.323	3.287	30	20	AGED	
C=C(C)COC(=O)C1(CCC)CCC1	759448133	IOFUMFSAZOFKNA-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CCCC(C)=NOCc1ccccc1	839422143	YOTGUXIWUIXPFE-UHFFFAOYSA-N	191.274	3.379	30	20	AGED	
C=C(C)CN(C)c1ccc(C)c(C)c1	917073258	KWBJTVAVGDNPKQ-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
CCCCC[C@H](C)N[C@@H](CC)CC#N	42570197	IQXLDQHEAFMJBG-RYUDHWBXSA-N	196.338	3.237	30	20	AGED	
C=CCNc1cc(F)cc(Cl)c1	217532076	WBGGDJNPSQTTNK-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
CC#CCSCc1ccc(F)cc1	307711796	VFZBMTNESLVBCM-UHFFFAOYSA-N	194.274	3.082	30	20	AGED	
C=C(CC)CN1[C@@H](CC)CC[C@H]1C	379398497	UTYHQFSTFKTJOO-NEPJUHHUSA-N	181.323	3.216	30	20	AGED	
C=CCN1CC[C@H](C(C)(C)C)C[C@H]1C	672578392	OGISXEHUKFLYON-NEPJUHHUSA-N	195.350	3.319	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC[C@@H]1C=CCC1	883246115	AILTZGJBCPKTNT-YNEHKIRRSA-N	193.334	3.143	30	20	AGED	
Cc1ccccc1SCCCC#N	37665735	JFYYJOZOZDAYSH-UHFFFAOYSA-N	191.299	3.391	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1sccc1C	157248641	NMNFCAAEKPSCTQ-NXEZZACHSA-N	195.331	3.282	30	20	AGED	
C#C[C@H](C)N[C@H](C)CCCCCC=C	308651536	KURWGFYUVPNBFL-QWHCGFSZSA-N	193.334	3.123	30	20	AGED	
CC[C@H](C)CON=CCCC(C)C	378872184	QMDOXKWBNCCCQI-NSHDSACASA-N	185.311	3.471	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)[C@H]1CC12CC2	527892957	IJGBCFKWXLSEJQ-SDDRHHMPSA-N	193.334	3.119	30	20	AGED	
C=CCN1CCC[C@@]1(C)CC(C)C	649827917	IQOGLFCFPBVEBO-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=C(C)CON=C1CCCC[C@H]1C	844615404	QLBDUOUGKRYIFD-SNVBAGLBSA-N	181.279	3.145	30	20	AGED	
C[C@@H]1CC(C)(C)CC[C@@H]1S	88132155	ZLNZYASRNJONIF-SFYZADRCSA-N	158.310	3.131	30	20	AGED	
C=C(C)CCNc1cc(F)cc(F)c1	168950710	UZJRDLMGGRFVIU-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C[C@H](C)NCCC1CCCCC1	229325263	GUWIJYCLMYIRAS-NSHDSACASA-N	181.323	3.121	30	20	AGED	
N#CCC[C@H]1C[C@H]1c1ccccc1	261023442	YRDCLOMERWSGJC-RYUDHWBXSA-N	171.243	3.094	30	20	AGED	
C=C(C)C[C@@]1(C=O)CCC[C@@H](C)C1	306328019	ZAIKYPZJQASUGS-NEPJUHHUSA-N	180.291	3.348	30	20	AGED	
C=CCCNC[C@@H]1C(C)=CCC[C@@H]1C	657583107	ZTAZIFQDIAKWKD-QWHCGFSZSA-N	193.334	3.145	30	20	AGED	
C=CCCN1CC(C)(C)CC(C)(C)C1	681035283	ILDCXOVQAMBABC-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=C(C)CCN1CC[C@@H](C(C)(C)C)C1	681410439	UAYSLWQLPJHHKX-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
C=CCCCCCN1C[C@H](C)C[C@@H]1C	683782226	QWRUWSCQXMGIRW-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C=CCNc1ccc(Cl)cc1F	50522121	AXHZPDWKTKWWIM-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C=C(C)CCN(CC(C)C)C1CC1	308154115	QBCRFFNRMPNMTP-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCCN(C)[C@H]1CCC[C@@H](C)C1	308193433	PDAORSVOQJXZDW-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
CC(C)[C@@H]1[C@H](C=O)[C@H]1C1CCCCC1	536952283	AUKBJYVTNAQGJA-YNEHKIRRSA-N	194.318	3.284	30	20	AGED	
C=CCCCCN1CCC2(CCC2)C1	649349955	JMYLTFLWEKAOGX-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C[C@@H](NN=C1CCC1(C)C)C(C)(C)C	793115171	LCALMFVTWYEDHW-SECBINFHSA-N	196.338	3.187	30	20	AGED	
C=CC[C@H](C)C(C)=NO[C@@H](C)C=C	844625042	PQMFOWWCMALUNF-UWVGGRQHSA-N	181.279	3.166	30	20	AGED	
C=CCN(C/C=C\Cl)C(C)(C)C	852553976	YDOFYRDSMIPJSV-SREVYHEPSA-N	187.714	3.025	30	20	AGED	
C=CCNc1ccccc1CCC	50522204	QOMYLZTTZDAQJZ-UHFFFAOYSA-N	175.275	3.237	30	20	AGED	
C=C(C)CCN[C@H]1CCCC[C@H]1C	168059674	FJQFRYBSTNKVPJ-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CCCCCN[C@H]1C[C@H]2CC[C@H]1C2	308487563	OYAJOJLWMODTIZ-AVGNSLFASA-N	193.334	3.121	30	20	AGED	
C=C(C)CCN1C[C@H](C)C[C@@H]1CC	388589461	KSHFOFKZBJYVFV-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCCSCCCC#N	591401015	VURSUZCWDHJKKS-UHFFFAOYSA-N	183.320	3.380	30	20	AGED	
C=CCN(C)c1ccc2ccccc2c1	726936966	VEOUYIXRXDQOLQ-UHFFFAOYSA-N	197.281	3.462	30	20	AGED	
CC(=NOCC(C)C)c1ccccc1	754279742	NYQJIWJJTXCBOK-UHFFFAOYSA-N	191.274	3.083	30	20	AGED	
CCCCNN=C[C@@H]1CCC[C@@H](C)C1	768359174	ANASVGRNRRMAKN-VXGBXAGGSA-N	196.338	3.188	30	20	AGED	
C=C(C)CCN[C@H](C)C1CCCC1	168063381	IBBZNHPYDNRNCS-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCCOc1cc(F)ccc1C	230403046	YXAGWWZZQLIRCO-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
C/C=C/C[C@]1(C=O)CCC[C@@H](C)C1	306469186	OZZAFEQPAGDBJS-LXYZTQFVSA-N	180.291	3.348	30	20	AGED	
C=CCC[C@H](N[C@@H](C)CC=C)C1CC1	308592428	WHDQOEQVXMVWKF-AAEUAGOBSA-N	193.334	3.285	30	20	AGED	
C=CCCC[C@@H](C)Nc1nccs1	398156587	IZQSCXIRCCAVSY-SECBINFHSA-N	196.319	3.300	30	20	AGED	
C=CCCCN1CCC(C)(CC)CC1	605150335	JEUMYWGOEUPATF-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CCC(CC)NN=C(C)CC1CCC1	758369693	IOHYMOLZXULZQG-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
C=C[C@@H](C)N[C@H](CC)c1cccs1	157243951	BNUPTOUKFQGJFU-NXEZZACHSA-N	195.331	3.363	30	20	AGED	
C=C(CC)C[C@@]1(C)CCC[C@@]1(C)O	306404445	UBJWPGKHPUQJQD-VXGBXAGGSA-N	182.307	3.284	30	20	AGED	
C=CCCCN[C@H]1CCC[C@H]1C(C)C	308527858	RASGLXLWDWTHEY-STQMWFEESA-N	195.350	3.367	30	20	AGED	
C=CCCCN[C@@H]1[C@@H](C)CCC[C@H]1C	308550799	QBLVYUIWVQJSAO-ITGUQSILSA-N	195.350	3.367	30	20	AGED	
C=CCN(CC=C)CC/C=C\CC	393718302	UNPBRXXPCLYLBT-FPLPWBNLSA-N	179.307	3.017	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@@H]1C(C)C	844622170	VXUNFTZZSAAPIH-GHMZBOCLSA-N	195.306	3.390	30	20	AGED	
CC(=NOCC1CCC1)C1CCCC1	853439413	IRQQHEXNSUJVSI-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=C(C)CCN[C@@H](C)C1CCCC1	168063265	IBBZNHPYDNRNCS-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=C(C)CCN[C@H]1CCC[C@@H](C)C1	168956118	OXSTXVHHASGUQN-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
CCC[C@H](C)NCC(C)(C)CCC#N	229667852	YLJYERSSVSWJBJ-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CCCN1CCCC(C)(C)CC1	306293334	UPAFOMQUSKPVDA-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CC(C)[C@H](C)[C@]1(C=O)CCC[C@H]1C	306377255	NVPMYPXYIWIBFH-WOPDTQHZSA-N	182.307	3.284	30	20	AGED	
C=CCCCCN[C@H]1CCC[C@H]2C[C@H]21	393220821	ULMYEZWCELKOTQ-XQQFMLRXSA-N	193.334	3.121	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCC(=C)CC	648840051	BRLHBVWORVCFEJ-NEPJUHHUSA-N	181.323	3.143	30	20	AGED	
CCCCCC[C@@H](C)NC[C@H](C)C#N	42207596	SGJZWNXZUSIOMB-VXGBXAGGSA-N	196.338	3.095	30	20	AGED	
C=C(CC)CNCc1cccc(C)c1	85057593	FNFXGIDURXHGFL-UHFFFAOYSA-N	189.302	3.051	30	20	AGED	
C#Cc1cccc(NCCC(=C)C)c1	168940202	RFZCHHQICVFIQC-UHFFFAOYSA-N	185.270	3.046	30	20	AGED	
C=C(C)CCNc1ccc(C)cc1	168951496	SGMMXXVWFKONPI-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
O=C[C@@]1(C2CCCCC2)CCCS1	306721368	DSSWHJFBQTWASH-LLVKDONJSA-N	198.331	3.031	30	20	AGED	
C=C[C@@H](C)Nc1ccnc(C)c1Cl	307502692	OATNCFDDEPUACG-SSDOTTSWSA-N	196.681	3.030	30	20	AGED	
C=CCCSc1cccc(F)c1	388482107	VNCMBUKRYKECTE-UHFFFAOYSA-N	182.263	3.494	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCC(=C)CC	648840055	BRLHBVWORVCFEJ-VXGBXAGGSA-N	181.323	3.143	30	20	AGED	
C=C(CC)CN1C2CCCC1CCC2	678624816	QXMXRVFJAAUXJC-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
CC[C@@H]1CCCC1=NNC1CCCC1	758371315	WSISJZZYOUTPBU-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
CC(C)C[C@@H](C)CON=C1CCC1	308155813	REXPZIZPFZKAMG-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=CCC1(NCCC(=C)C)CCCC1	661852042	ILOVGNCTAFIURJ-UHFFFAOYSA-N	193.334	3.431	30	20	AGED	
C=CCSCc1ccc(C)cc1	41364229	PQIBHDLFEKNVSN-UHFFFAOYSA-N	178.300	3.414	30	20	AGED	
C=CCCNc1ccc(Cl)cc1	70591375	MUCSPZPYENTNKP-UHFFFAOYSA-N	181.666	3.328	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)c1ccc(C)o1	161647713	DIUKMLLCRGLEBG-KOLCDFICSA-N	193.290	3.203	30	20	AGED	
CCCCNc1cc(C)cc(C#N)c1	306191259	FXWJEPCGGRCNRK-UHFFFAOYSA-N	188.274	3.079	30	20	AGED	
CCCCCCCN[C@H]1CC[C@@H]1C	308163628	YFRXROBDSBCNIY-RYUDHWBXSA-N	183.339	3.345	30	20	AGED	
C=CCN(CCC(C)(C)C)C1CC1	308166998	XXTCOUCVEXLNBV-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCCN(C)[C@@H]1CCC[C@@H](C)C1	308193436	PDAORSVOQJXZDW-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN1CCC(CC)(CC)C1	308233813	QCMNSTDWKZAVDJ-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCC[C@@H](C)N[C@@H](C)C(C)C	381970759	BRLTXAMDFKQCDR-NEPJUHHUSA-N	183.339	3.365	30	20	AGED	
C=CCN(CC1CCCCC1)C(C)C	613496901	VTHDTVJICHNUSG-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=CC(C)(C)CN[C@H](C)CCC1CC1	648733586	PTJXPHHSGXVULI-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
C=CCCCCN(C(C)C)C(C)C	649407222	XJQFENTUIZVIRS-UHFFFAOYSA-N	183.339	3.462	30	20	AGED	
C=C(CC)COC(=O)/C=C(\C)CCC	773500027	VAGHOGDMNBRYCP-DHZHZOJOSA-N	196.290	3.242	30	20	AGED	
C=CCSc1nc(C)c(C)s1	224239215	MJJAQKWIESHCNU-UHFFFAOYSA-N	185.317	3.038	30	20	AGED	
C[C@H](CC#N)N(C)CCCC(C)(C)C	300771872	HRBJXIJFWJAQHF-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
CC(C)(C)CSCC1(C#N)CC1	379321029	ZLLMKPDTPAPSFV-UHFFFAOYSA-N	183.320	3.069	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCCC1CCC1	389274701	NUYYHLIPJYSCNK-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=C(C)c1ccc(CC#N)c(C)c1	592989480	QNZDJZDKCMIHHL-UHFFFAOYSA-N	171.243	3.094	30	20	AGED	
C=CC[C@H](C)NC(=O)CCCCCC	735066682	VMMUBKFGYKCHPV-NSHDSACASA-N	197.322	3.038	30	20	AGED	
CCC(CC)N(CCC#N)CC(C)C	86453472	HTRNWPNCDYECSS-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
CCCCCCCNC(=O)CC(C)C	103784971	XUZBFUQEOJQMHB-UHFFFAOYSA-N	199.338	3.119	30	20	AGED	
CCCCCCCC(=O)N[C@H](C)CC	106167031	LSSDOBQCBAEMIJ-LLVKDONJSA-N	199.338	3.262	30	20	AGED	
C=C(C)CCNc1nc(C)c(C)s1	307049574	QHVFSFHTABEGQO-UHFFFAOYSA-N	196.319	3.138	30	20	AGED	
C=CCC(C)(C)CNc1nccs1	381843681	VCTATGMLVXOIEI-UHFFFAOYSA-N	196.319	3.157	30	20	AGED	
C=CCN(CC(CC)CC)C(C)C	768550310	KKSFZOPUVKTFFJ-UHFFFAOYSA-N	183.339	3.319	30	20	AGED	
C[C@H](CON=CC1CC1)C(C)(C)C	871760280	IXRVJPPCSMRPDD-SECBINFHSA-N	183.295	3.081	30	20	AGED	
Cc1cc(C)c(CS)cc1C	77262209	VQBVACTYAQPLEO-UHFFFAOYSA-N	166.289	3.042	30	20	AGED	
CON=C1CCC[C@H]1CCC(C)C	308503641	YDPJLXZEYBUAFG-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@@H](C)[C@@H]1C	790183869	WLAUKHFFEHEQAT-VWYCJHECSA-N	196.338	3.187	30	20	AGED	
C=CC[C@@H](C)NCc1ccccc1C	124265455	GXPLWUBKRAPOBZ-GFCCVEGCSA-N	189.302	3.049	30	20	AGED	
C=C(C)COc1cccc2ncccc12	206984240	YALOAJQTBODVNT-UHFFFAOYSA-N	199.253	3.190	30	20	AGED	
C=C[C@@H](C)N[C@@H](CC)c1ccsc1	382125641	NPFGHMXVQFSVHT-KOLCDFICSA-N	195.331	3.363	30	20	AGED	
C=C(C)CN1C[C@H](C)[C@@H]2CCCC[C@@H]21	679863460	OZBOCSRHJQMEHG-AVGNSLFASA-N	193.334	3.073	30	20	AGED	
CC(=NNC1CCCC1)C1CCCC1	733076307	KZMSKTFOQUCJHR-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC[C@H]1CCCCC1=NN[C@H](C)CC	790182616	LCIGDGRFOPYJEN-MNOVXSKESA-N	196.338	3.331	30	20	AGED	
CCC(CC)CNN=C1CC[C@H]1CC	807985747	MTOMLBZIOAASAJ-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
C=C(C)C(C)(C)C(=O)O[C@H](C)C(C)C	820287053	TVTRXTFSUDZQRD-SNVBAGLBSA-N	198.306	3.176	30	20	AGED	
CC(C)(C=O)Cc1ccc(Cl)cc1	4760168	KVWGKBMYBNTRQA-UHFFFAOYSA-N	196.677	3.108	30	20	AGED	
C=C(CC)CN1[C@H](C)CC[C@H]1CC	379398502	UTYHQFSTFKTJOO-VXGBXAGGSA-N	181.323	3.216	30	20	AGED	
C=CCCN[C@H]1CCC[C@@H]1CCCF	658114177	MWBNARGRZYDEQZ-NEPJUHHUSA-N	199.313	3.071	30	20	AGED	
C=C(CC)CN(C)C(C1CC1)C1CC1	678623964	PTMLSPXRXQITND-UHFFFAOYSA-N	193.334	3.073	30	20	AGED	
C=CCCC(=O)OCC1CCCCC1	726655767	UXOWEQWCTWGRPV-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C[C@@H](S)c1nc2ccccc2s1	20476584	VFZFDZIAYYKNRX-ZCFIWIBFSA-N	195.312	3.287	30	20	AGED	
C=C(Cl)CSCC(=C)Cl	116508207	PWYBVWDAHLWALB-UHFFFAOYSA-N	183.103	3.225	30	20	AGED	
C#CCCCSC(CC)CC	307934908	XOUUZLOLEDKGBA-UHFFFAOYSA-N	170.321	3.322	30	20	AGED	
CCCCC[C@@H](NCC#N)C(C)(C)C	308740620	ONIZJXGVYSFIHH-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=CCCCN(CC1CC1)C(C)C	388681225	IRLFHJRZXNFZHA-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=C(C)CS[C@H](C)CCC	591385769	NQJAZPSEWCBFLP-SECBINFHSA-N	158.310	3.484	30	20	AGED	
C=CC[C@@H]1CCCN(CC2CCC2)C1	661379964	KALDLMBQSQKTJJ-GFCCVEGCSA-N	193.334	3.075	30	20	AGED	
CCCCCCCN[C@H](C)CC	59088540	VQCCDSKKXUNOAT-LLVKDONJSA-N	171.328	3.345	30	20	AGED	
CC(C)[C@H]1CCCC[C@@H]1S	125785303	FXPDMIZSJNPDAF-BDAKNGLRSA-N	158.310	3.131	30	20	AGED	
C=C(C)CNCc1cc(C)sc1C	167484180	PDHXFQXJGHPRAK-UHFFFAOYSA-N	195.331	3.031	30	20	AGED	
CCCOc1cc(Cl)cc(C#N)c1	307273360	WKEBNZJZXWONDN-UHFFFAOYSA-N	195.649	3.000	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)[C@@H]1CC12CC2	527892958	IJGBCFKWXLSEJQ-SRVKXCTJSA-N	193.334	3.119	30	20	AGED	
C=C(CC)CN(C1CC1)[C@@H](C)C1CC1	678624073	ZKQYTZCKOIOGSP-NSHDSACASA-N	193.334	3.216	30	20	AGED	
C=C/C=C\CCN[C@H](C)CCC=C	713476251	YVPXSHRBVYYKDI-XYLWRLHESA-N	179.307	3.063	30	20	AGED	
C=C(C)CON=C(C)C1CCCC1	844617207	KDSSXRGDQGTNJP-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)c1ccsc1	161687110	HMLZASXATVPTDY-ZJUUUORDSA-N	195.331	3.363	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCCC1(C)C	161690484	GGSYDTAFMDSXNB-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCC[C@@H](C)C1	384933356	HUCINHBWUNYOCL-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN(C)[C@H](C)C1(C)CC1	388731062	VKCHNNYQFXMKLW-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN(CC)c1ccccc1C	674762555	OWANNXSUDKLGML-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
C=C(C)CCN1CC[C@H](C(C)(C)C)C1	681410440	UAYSLWQLPJHHKX-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
C=CCCCCCOC(=O)CCC=C	783376205	VHSWFPPPBJAMOL-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
CCCCNN=C1CCC12CCCC2	788711786	JVQNTIOZVRVPOW-UHFFFAOYSA-N	194.322	3.086	30	20	AGED	
O=CCc1ccccc1-c1ccccc1	43502189	KSWFOSOJEHVUNJ-UHFFFAOYSA-N	196.249	3.095	30	20	AGED	
CCCCCCCS[C@@H](C)CO	160705447	JQVDJLDUMPSLQJ-JTQLQIEISA-N	190.352	3.071	30	20	AGED	
C=C(Cl)CN1CCC2(CCC2)CC1	307718613	LVRDPLWFPUKOPO-UHFFFAOYSA-N	199.725	3.005	30	20	AGED	
C=CCCCCN[C@@H]1CCC[C@H]2C[C@H]21	308514362	ULMYEZWCELKOTQ-YNEHKIRRSA-N	193.334	3.121	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC[C@H]1CC1(C)C	308685275	ZDJBPLQFKWGDAQ-SDDRHHMPSA-N	195.350	3.223	30	20	AGED	
CC(C)[C@@H](C)S[C@H](C)CCC#N	591128587	WCKDVFOZQSUCDK-NXEZZACHSA-N	185.336	3.456	30	20	AGED	
C=CCN[C@@H](CCC)c1ccccc1	19876040	NYGWDYJATNUERW-ZDUSSCGKSA-N	189.302	3.303	30	20	AGED	
CC(C)CC1(C=O)CCCCC1	82115072	VARVSVWHLBTUST-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
C=C(C)CN[C@H]1CCCC(C)(C)C1	149881374	BMUSOKYUIYAXRW-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCCCN[C@@H]1CC[C@H](C)C[C@@H]1C	227141793	LEGHYBOAHJTCBK-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=CCN1CCC[C@@H]1[C@H](C)CCC	308222802	LWYAJSWVCUOILT-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCON=C(CC)Cc1cccs1	308309444	QFMBMJDEKXETRI-UHFFFAOYSA-N	197.303	3.093	30	20	AGED	
C=CCC[C@H](NC1CCCC1)C1CC1	379652638	GZDMRLIIBNFYBI-ZDUSSCGKSA-N	193.334	3.263	30	20	AGED	
C=CCCCC(=O)OCC(CC)CC	798893498	JNDNIESVTNSNBS-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C(C)C(C)(C)C(=O)OC/C=C\CC	819956749	YLPICKWGIMOEAL-FPLPWBNLSA-N	196.290	3.098	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@@H]1CC	844622051	SXNJNKYISMNLBY-ZJUUUORDSA-N	181.279	3.144	30	20	AGED	
C=C(C)CNc1ccc(F)c(Cl)c1	41570674	SIOLMGSGMKMSLV-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=C(C)CCNc1ccc(OC)cc1	126172915	GGBYHICJCJAGCL-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
CCN(CCC#N)CCCC(C)(C)C	300771855	HKFZFVZSNMGFRC-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CCCCCN[C@H]1CC[C@H]1C1CC1	308556745	ZUHPLUJECBHHQT-STQMWFEESA-N	193.334	3.121	30	20	AGED	
C#C[C@@H](NCC(CC)CC)C(C)(C)C	308618948	SMMGCQZVHRRSIF-GFCCVEGCSA-N	195.350	3.060	30	20	AGED	
C=CCCc1csc(CC(C)C)n1	388665460	WOLKAXVPMPZFLI-UHFFFAOYSA-N	195.331	3.460	30	20	AGED	
C=CCN1CC[C@H](C)[C@@H]2CCCC[C@H]21	613416436	UTAMAFFRKANMGV-RWMBFGLXSA-N	193.334	3.073	30	20	AGED	
C=C(C)C(C)(C)C(=O)O[C@@H](C)C(C)C	820287052	TVTRXTFSUDZQRD-JTQLQIEISA-N	198.306	3.176	30	20	AGED	
C#CCCCN[C@@H](CCC)C(C)(C)C	831169835	KLPHGZCVQJUQAR-LBPRGKRZSA-N	195.350	3.204	30	20	AGED	
C=CCN[C@H](C)c1ccc(C)cc1C	19875914	MZONDNKFFBAWHG-GFCCVEGCSA-N	189.302	3.140	30	20	AGED	
C=C(C)CNc1cc(C)cc(C)c1	41578793	NJWZHFKQJXCPEJ-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C1CCCC(=NOC2CCC2)CC1	306238027	PLPDPLGDAZTYEN-UHFFFAOYSA-N	181.279	3.266	30	20	AGED	
CC1=CC(=NOC(C)(C)C)CCC1	308307126	OYORLBUETSKTLR-UHFFFAOYSA-N	181.279	3.288	30	20	AGED	
C=CCC[C@@H](CCC)N[C@@H](C)CF	308371833	QNCCATOXTHQJNP-WDEREUQCSA-N	187.302	3.069	30	20	AGED	
C=CCCCN1CCCC[C@H]1CC	393537496	KFLRQDGEEKDAPS-GFCCVEGCSA-N	181.323	3.217	30	20	AGED	
CCC[C@H](N[C@H](C#N)CC)C(C)(C)C	591242752	ANEZCAOUYDEKJO-QWRGUYRKSA-N	196.338	3.093	30	20	AGED	
C=C(C)CN(CC)c1ccc(F)cc1	679572342	YVBILULFGZPBNB-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
C=CCCCN(C)c1ccc(C)cc1	735491009	ZUQHGLKLEIPQHQ-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
C=CCCC(=O)O[C@@H]1CCCC1(C)C	799483102	KRMLYEYTPWBXRF-SNVBAGLBSA-N	196.290	3.075	30	20	AGED	
C=CC[C@@H]1CCCN(CC(=C)Cl)C1	852411081	SCUZTFPVKGGCSZ-LLVKDONJSA-N	199.725	3.027	30	20	AGED	
C=CCCN[C@H]1CCC[C@H](C2CC2)C1	168561149	WXPLFBSEDODPSB-STQMWFEESA-N	193.334	3.121	30	20	AGED	
C=C(C)CN1CCC[C@@H]1C(C)(C)C	306971311	URGSJXMWTPESTO-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=CCCSc1ccccc1F	308081265	JFBRCIQYOIKZLE-UHFFFAOYSA-N	182.263	3.494	30	20	AGED	
C=C(C)CCNC1(CC)CCCC1	382570099	QNJDUIBGWNIHQI-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
C=C(CC)CN(C1CCC1)C1CCC1	644785072	RUNFYMWDLYWUOE-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
C=CCCc1noc([C@H](C)CCC)n1	651357687	VVRYRPANZGZGRB-SECBINFHSA-N	194.278	3.092	30	20	AGED	
CC(C)CON=C[C@@H]1CCCC[C@H]1C	783857129	TVQRAGDJHKYZKO-NEPJUHHUSA-N	197.322	3.471	30	20	AGED	
C=CCCC(=NOCC1CC1)C1CC1	814245286	VZHNJFBVWXNMFO-UHFFFAOYSA-N	193.290	3.145	30	20	AGED	
C=CCCNc1ccc(CC)cc1	70591419	SHAYJRMLKJDMPO-UHFFFAOYSA-N	175.275	3.237	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)CCC(C)C	161662854	NFWHBBBZCFVKRE-NEPJUHHUSA-N	183.339	3.365	30	20	AGED	
CCCC(CC)=NOCC(C)C	307975953	KYMUOUCZQPCKBX-UHFFFAOYSA-N	171.284	3.225	30	20	AGED	
C#C[C@H](CC)N[C@H](C)[C@H](C)CCCC	308749143	SVIUOPPVLZUDCE-JHJVBQTASA-N	195.350	3.203	30	20	AGED	
CCON=C(C)[C@H]1CCCC[C@@H]1C	834937129	JRVKRVUQNFDOEJ-ONGXEEELSA-N	183.295	3.225	30	20	AGED	
C=CCC[C@@H](O)c1ccc(Cl)cc1	70593640	YXPRUZITRUXZEF-LLVKDONJSA-N	196.677	3.340	30	20	AGED	
CC[C@@H](C)N(CC)CCC(C)(C)C#N	83640508	WPMPRTCXCIEBBK-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1	166018689	RXBNTMPIXYZXSK-ZDEQEGDKSA-N	195.350	3.365	30	20	AGED	
CCS[C@H](C)c1ccc(C#N)cc1	307483718	AJCVOODEWLZFAF-SECBINFHSA-N	191.299	3.372	30	20	AGED	
C=C(C)CCN(C)[C@@H]1CCC[C@H](C)C1	681399299	QMPJNYWVUCNYCH-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=CCCC(=O)OCCCC(C)(C)C	781176003	KTFQETIBEKOZHV-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@@H]1C(C)C	648727760	HKRLMHBBPBQFKQ-CHWSQXEVSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H](C)[C@@H](C)N[C@@H](CC)C1CC1	658236203	USGOINSJHLMTMJ-LOWVWBTDSA-N	195.350	3.365	30	20	AGED	
C=CCCCC(=O)NCCCCCC	748291972	ZHNKBTBWVOOEOA-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
CCC(=NOC(C)C)c1cccs1	835004238	JOXMQFOTXNRLJQ-UHFFFAOYSA-N	197.303	3.287	30	20	AGED	
CC1(C)CCC[C@H](S)CC1	83435136	XLISCJPJAPHQKK-QMMMGPOBSA-N	158.310	3.275	30	20	AGED	
C=CC[C@H](CC)NCc1ccsc1	308173334	CHCXQZRUBXDLFG-NSHDSACASA-N	195.331	3.192	30	20	AGED	
C=CCN1CC[C@@H](C(C)(C)C)C[C@H]1C	672578395	OGISXEHUKFLYON-VXGBXAGGSA-N	195.350	3.319	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@H]1CCF	844626236	RZNUZUQSZKBWQL-ZJUUUORDSA-N	199.269	3.093	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@@H](C)[C@@H]1C	227247581	XLLXOQWWKQOKID-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
C=C(C)CN1CCC[C@@H](CC)CC1	307285893	PQVJKBMSHYROOJ-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C[C@@H]1CCC[C@H](C2(C=O)CCC2)C1	307366967	NYBSXGNDWYMBTN-MNOVXSKESA-N	180.291	3.182	30	20	AGED	
C[C@@H]1CC[C@H](C2(C=O)CC2)C[C@H]1C	307407732	OAQSCTBVMQFYFP-MXWKQRLJSA-N	180.291	3.038	30	20	AGED	
C=C(C)CN1C[C@@H](C)CCC[C@H]1C	307745688	SLOGUYYEAPXNOC-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CCCCCCC(C)=NOCC	307955350	QWXNEOCEWFWXAF-UHFFFAOYSA-N	171.284	3.369	30	20	AGED	
CC(C)CON=C1CC(C)(C)C[C@H]1C	766026455	VTAASICKTYABMB-SNVBAGLBSA-N	197.322	3.471	30	20	AGED	
C=CCC[C@@H](C)NCC(CC)CC	164606100	NVUOASIUUHOJCO-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C[C@@H]1CC[C@@](C=O)(CC2CCC2)C1	306636740	BCXPLIPCWOJKFD-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=CCC[C@@H](CC)NC[C@@H]1CC1(C)C	389210142	IEECXCAWDMUOBB-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
CCc1ccc([C@@H](C)S)s1	41062345	MXFPNVZDDWXDHD-ZCFIWIBFSA-N	172.318	3.301	30	20	AGED	
C#CCCNc1cccc(C)c1Cl	300762113	MHBRVIGSPDQUSR-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=C(Cl)CN(C)[C@H](C)C(C)(C)C	379317617	GQDIMMBBKOJUIV-SECBINFHSA-N	189.730	3.105	30	20	AGED	
C#CCCSCC1CCCCC1	388521045	XJNXDRLFUSDXTJ-UHFFFAOYSA-N	182.332	3.323	30	20	AGED	
C=CCCC(C)(C)NCc1ccco1	657805962	YWBDVRJCIJNUHP-UHFFFAOYSA-N	193.290	3.114	30	20	AGED	
C=CCCSc1cc(C)ccn1	918801219	MSUBUHRFOSQYDZ-UHFFFAOYSA-N	179.288	3.058	30	20	AGED	
CC(C)(C#N)CCc1ccccc1	36448149	GPPPIEMCGLFONH-UHFFFAOYSA-N	173.259	3.169	30	20	AGED	
CC#CCNc1ccc(C)c(Cl)c1	51662815	AWXXHPIGBQCGCI-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1ccc(C)s1	157218099	WZAPAZKSQMODEN-WPRPVWTQSA-N	195.331	3.282	30	20	AGED	
C=C(CC)CSCCCC	307581582	RQBFNDGJYWURHU-UHFFFAOYSA-N	158.310	3.486	30	20	AGED	
C=CCCN(C)Cc1ccccc1C	606896386	KXZTYCLNADOLRE-UHFFFAOYSA-N	189.302	3.003	30	20	AGED	
C=CCNN=C(CC)C1CCCCC1	794992483	AZLZTJTWPZIYNQ-UHFFFAOYSA-N	194.322	3.108	30	20	AGED	
C=CC[C@@H](C)C(C)=NO[C@H](C)C=C	844625041	PQMFOWWCMALUNF-NXEZZACHSA-N	181.279	3.166	30	20	AGED	
C=C[C@H](C)ON=C[C@H](C)CC(C)C	844625112	LGXNKOFWAWBNCT-MNOVXSKESA-N	183.295	3.246	30	20	AGED	
C=CCCNc1c(F)cccc1Cl	135248939	NFYDUWNYRWJWFD-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC[C@@H]1C1CC1	308723845	FOZHIYPGWGPULK-YNEHKIRRSA-N	193.334	3.119	30	20	AGED	
C=CCCCC(=O)O[C@H]1CC[C@@H](C)C1	779258657	MFPHBFRYUMBKJH-MNOVXSKESA-N	196.290	3.075	30	20	AGED	
CCCCCCCCNCC1CC1	59088554	JMCGXEZAGPKTPY-UHFFFAOYSA-N	183.339	3.347	30	20	AGED	
C#CCCOc1ccc(Cl)c(C)c1	82494087	OAORWTLRFDEUKC-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
C=C(Cl)CN1CCC[C@@H]2CCC[C@H]21	307321367	QGYGJXAXYPKXBX-WDEREUQCSA-N	199.725	3.003	30	20	AGED	
C=C(C)CCN(C)CC1CCCC1	379404900	SBUTYJIUWREYSO-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCC[C@H](CC)NC1(CC)CC1	651396581	OHOYQQIXILOKNT-NSHDSACASA-N	181.323	3.263	30	20	AGED	
C=C(C)CCN(CC)[C@@H](C)CC	661104417	MJIRBYNBUIAWQV-NSHDSACASA-N	169.312	3.073	30	20	AGED	
CC[C@@H](C)NN=C(C)C1CCCCC1	790184589	XXJBLIVSMHGIJC-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
C=C(C)CNc1ccc(Cl)cc1F	49136471	LZRNCZRYQDECDR-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
CC(C)=NNc1ccc(C)c(Cl)c1	307696216	KBIGQMZKGJCMQX-UHFFFAOYSA-N	196.681	3.456	30	20	AGED	
C#CC(C)(C)Cc1ccccc1C	585142691	ZLUULIKYAAFGSC-UHFFFAOYSA-N	172.271	3.197	30	20	AGED	
C=C(C)CCN1C2CCCC1CCC2	681404638	XUYVJNVOPSIHDV-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
C#CCCCN[C@@H](CC)C[C@@H](C)CC	224308483	VYKIFDAVXRYARD-STQMWFEESA-N	195.350	3.204	30	20	AGED	
C#C[C@@H](CC)N[C@@H](C)CCCCCC	229519650	DEORNGBOJFWZOE-STQMWFEESA-N	195.350	3.347	30	20	AGED	
C=CCCCSc1ccc(C)cn1	308320004	ZVYMUAXVWPWFMU-UHFFFAOYSA-N	193.315	3.448	30	20	AGED	
C=CC[C@@H](C)NC[C@@H](C)C(C)(C)C	388591914	AYMKSGCCGRKRKR-GHMZBOCLSA-N	183.339	3.223	30	20	AGED	
C=C(C)CN1CCCC[C@@H]1CC(C)C	675127377	LGZSMFGUYZWZEX-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
C=C(CC)CN1CC[C@@H](CC(C)C)C1	678624835	RHVSWBFTMMRLRD-ZDUSSCGKSA-N	195.350	3.321	30	20	AGED	
C=CCCC(=NOC1CCC1)C1CC1	812235243	QBRZKULLQZLVJU-UHFFFAOYSA-N	193.290	3.288	30	20	AGED	
CC(CCC(C)C)=NOC(C)C	835004518	WPJOIUAKYZVWAF-UHFFFAOYSA-N	171.284	3.224	30	20	AGED	
N#CCC[C@H]1C[C@@H]1c1ccccc1	261023441	YRDCLOMERWSGJC-NWDGAFQWSA-N	171.243	3.094	30	20	AGED	
CC[C@H](C)CON=C[C@H]1CC[C@@H](C)C1	793146662	UATIJTIGDTVYOA-TUAOUCFPSA-N	197.322	3.471	30	20	AGED	
C=C(CC)CNc1ccc(C)cc1	85057215	JFHLCJDDFVCFBR-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C=C(Cl)CN(C1CC1)[C@@H](C)C1CC1	308159364	UEQZSZVLQNRWML-VIFPVBQESA-N	199.725	3.002	30	20	AGED	
CCCCC(C)=NOC/C=C/Cl	379330667	YAWLNICEWYIJSQ-HOABGUFQSA-N	189.686	3.322	30	20	AGED	
C=CCCN[C@@H](C)[C@@H](C)CCCC	658114743	QOXHXTBVVIOGIK-RYUDHWBXSA-N	183.339	3.367	30	20	AGED	
CCC(CC)NN=C1CCC(C)(C)C1	783846325	MSIXVJLLFTYTFE-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
C=CCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	35439028	NUKLOZQNJQRSBK-YNEHKIRRSA-N	195.350	3.223	30	20	AGED	
C=C(C)COc1cccc(CC)c1	70233565	KLFSDRUEQMTIPS-UHFFFAOYSA-N	176.259	3.204	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1cc(C)oc1C	164568134	BEJWJPLUZDQOLQ-WCBMZHEXSA-N	193.290	3.122	30	20	AGED	
C=CCCCSCCCOCC	308161048	RIRWUYREQRHMPF-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
CCCCC=NOCCC(F)(F)F	308359499	LUXMTFAVUULRJK-UHFFFAOYSA-N	197.200	3.131	30	20	AGED	
C=C(C)CCN[C@@H](C)CC1CCC1	386943458	WCQPAXJPYUCMCW-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=C(C)CN(C)CCC1CCCCC1	585761966	KCZILHTVOBGNHK-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCC[C@@H](C)NCCC(C)(C)F	658190937	IPNIVMLLOVJWLP-SNVBAGLBSA-N	187.302	3.069	30	20	AGED	
CC1=CC(=NOC2CCCCC2)CC1	777458806	JIXHFCNKNOEKKC-UHFFFAOYSA-N	193.290	3.432	30	20	AGED	
C=C(CC)CNCC1CCCCC1	85057374	JHEYBOWETVBFAP-UHFFFAOYSA-N	181.323	3.123	30	20	AGED	
C=C(C)CCN1CCC[C@H]1C(C)C	308147030	MFBFRWOULRTVSZ-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
CC(=NOC1CCCCC1)C(C)C	308167930	YGPHWRAOAQDXPO-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=C[C@@H]1CCCCN1C/C=C(\C)Cl	528480731	IZINVMRKLSYHCO-PFEDMVJOSA-N	199.725	3.170	30	20	AGED	
C=CCCN1C[C@@H](C)c2ccccc21	606896103	VAYFDBMZLWIZCM-LLVKDONJSA-N	187.286	3.186	30	20	AGED	
C=CCC(C)(C)C(=O)OCC(=C)CC	796463148	QSMSPLFAAGRTCF-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
CCCON=C1C[C@@H](C)C[C@H](C)C1	842553673	KEOVJFRKCPYQBV-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@H](C)[C@@H]1C	844621754	MLVLSHYBLRHBQP-DCAQKATOSA-N	195.306	3.390	30	20	AGED	
C[C@H]1CC[C@H](C=NOCC2CCC2)C1	853440833	JWMDWCGGMGZPBX-JQWIXIFHSA-N	195.306	3.225	30	20	AGED	
C=CCCCN1CCC[C@@H](C)CC1	308188621	LUKQWARUWMXNKC-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CC[C@@H](C)C(C)=NOC1CCCC1	308319608	XRZWYYGJNQYNLR-SECBINFHSA-N	183.295	3.368	30	20	AGED	
CC[C@@H]1CCCC1=NOC(C)(C)C	379382458	IXIJYFVCLVTVFI-SECBINFHSA-N	183.295	3.368	30	20	AGED	
C=C(C)CCN(CCC)C(C)C	653798939	VZMGUGMKHAOJLG-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=CCCN[C@@H](C)CCCC(C)C	70591922	KWYGLBZCZNQYET-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C=C(Cl)CN(C)c1cccc(C)c1	306456615	SWVKCOIPQAXLFG-UHFFFAOYSA-N	195.693	3.184	30	20	AGED	
CC[C@H](C)C=NOC1CCCCC1	308312209	SBVDPIJYLCWHLL-JTQLQIEISA-N	183.295	3.368	30	20	AGED	
C=CCN[C@@H]1CCCC[C@@H]1CCC	308395061	CSZINUZJBPCVDI-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C[C@@H](SCCC#N)c1cccs1	379312229	XKMCHCZAJISGKE-MRVPVSSYSA-N	197.328	3.456	30	20	AGED	
C=C(C)CCN[C@H]1CC[C@H]1C1CCC1	648727782	NJBAMLICDDNZBE-STQMWFEESA-N	193.334	3.121	30	20	AGED	
C=CCCCCSc1ncco1	649552990	XXETZOUGGJZBNB-UHFFFAOYSA-N	183.276	3.123	30	20	AGED	
C=CCCCOC(=O)[C@H](C)C(C)(C)C	735536585	RCKAUSKAHVKEGS-JTQLQIEISA-N	198.306	3.178	30	20	AGED	
CC(=NN1CCCC[C@H]1C)C1CCC1	853381033	VYSYUXVQFFXLTQ-SNVBAGLBSA-N	194.322	3.037	30	20	AGED	
C=CCCN[C@@H]1CCCC[C@@H]1CC	70591904	GDQDTALBZYXFDQ-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CCOc1ccccc1SCC	308355778	KNCSQFHZRKBQOF-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
C=CCCCCN[C@H]1CC[C@@H]1C1CC1	308556743	ZUHPLUJECBHHQT-OLZOCXBDSA-N	193.334	3.121	30	20	AGED	
C=CCCN1CC[C@H]1c1ccccc1	674005800	PFCAOXACUDEGDE-ZDUSSCGKSA-N	187.286	3.010	30	20	AGED	
C=C(C)CCN(C)[C@@H]1CCCC[C@H]1C	682031746	STHPBPCOQMYNMW-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C[C@@H]1CCCC(=NNC2CCCC2)C1	727652623	UKEKLKGRASZEEC-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C=CCCCOC(=O)[C@@](C)(C=C)CC	785762107	QEXYOXVOKNPOCU-LBPRGKRZSA-N	196.290	3.098	30	20	AGED	
C=C(Cl)CSc1cc(C)ccn1	1459254104	ORAIWZCYAAXDEV-UHFFFAOYSA-N	199.706	3.235	30	20	AGED	
C=C(C)COc1ccc2[nH]ccc2c1	87723362	QKWAUYPENOGLHU-UHFFFAOYSA-N	187.242	3.123	30	20	AGED	
C=C(Cl)CN1[C@@H](C)CC[C@@H]1CC	306300457	YSYOXQSBVUXSDT-UWVGGRQHSA-N	187.714	3.002	30	20	AGED	
C[C@H]1CCC[C@](C=O)(CC(F)F)C1	306468183	NLPQMGUHTXYKEC-WCBMZHEXSA-N	190.233	3.037	30	20	AGED	
C=CCN(CC=C)[C@H](C)CC(C)C	308170843	ZMYNYTYGHWWJFV-GFCCVEGCSA-N	181.323	3.095	30	20	AGED	
C=CCC[C@@H](CC)N[C@H](C)C1CC1	308214745	IJSSTXMIQGRAHE-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
CON=C1CCC[C@@H]1CCC(C)C	308503646	YDPJLXZEYBUAFG-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=CC[C@@H](CC)N[C@@H]1CCC[C@H]2C[C@H]21	378807900	YAEPDAZMJBHCGL-UMSGYPCISA-N	193.334	3.119	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@H]1CC	379373170	WQNJDTJSOGZIHH-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=CCCCN(C)[C@H](C)C1(C)CC1	379391169	PAOCLWNWKYFDAL-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=CCCN1[C@H]2CCCC[C@@H]2C[C@H]1C	608500447	NSFDZULSJPZION-UPJWGTAASA-N	193.334	3.216	30	20	AGED	
C=CCCCCN1CC[C@@H](CC)C1	649348119	WPMJFFIUTWXSAJ-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCC1(NCC2CCC2)CCCC1	661848717	OTFKHMCYLGGRAN-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=C(CC)CN1CCCC[C@@H](C)C1	306261358	VYRZHOLSVHBEJW-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CCC[C@H](C)C(CC)=NOCC	307979490	NUZBJLVIHVKCRP-VIFPVBQESA-N	171.284	3.225	30	20	AGED	
CCCCNN=C[C@H]1CCC[C@@H](C)C1	768359169	ANASVGRNRRMAKN-NEPJUHHUSA-N	196.338	3.188	30	20	AGED	
CC(C)CNN=C1CC[C@@H](C)C[C@@H]1C	783865063	VWFJUHJESQVYGP-MNOVXSKESA-N	196.338	3.044	30	20	AGED	
C=C(C)CON=C(C)[C@@H](C)CC	844615627	WFGBFDZRCPPZDT-VIFPVBQESA-N	169.268	3.001	30	20	AGED	
CC[C@@H](C)C(C)=NOCC1CCC1	853440191	XGWXHCXSAFOVLL-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C=CCCCN[C@H](C)c1cccs1	70591637	LSQRAILLNHMZFA-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
FC(F)(F)[C@@H]1CCC[C@@H](S)C1	82862814	FLJZHYMWWZUNND-PHDIDXHHSA-N	184.226	3.037	30	20	AGED	
Cc1ccc(C)c(CSCC#N)c1	306516373	XVLXSIDWYWDYEF-UHFFFAOYSA-N	191.299	3.060	30	20	AGED	
C[C@H]1CCC(=NOC2CCCC2)C1	378874427	WOOCJPSNRWYOGI-VIFPVBQESA-N	181.279	3.122	30	20	AGED	
CCCCN(CC)C[C@@H](C)CCC#N	602429680	RQPKXMAFAIPLSW-LBPRGKRZSA-N	196.338	3.048	30	20	AGED	
C=C[C@H](C)N[C@H](CC)c1ccccc1	157229396	PKCKJQUOROMSDG-WCQYABFASA-N	189.302	3.302	30	20	AGED	
CSCc1ccc(C#N)cc1Cl	169035186	XUOGQYLEXXGPJL-UHFFFAOYSA-N	197.690	3.075	30	20	AGED	
C#CCCNc1ccc(Cl)cc1C	300746787	WAXPHRDOTIKEDU-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
CC1(C)CCC[C@H]([C@H]2C[C@H]2C=O)C1	521401345	XLFWBVNWIBODHU-GARJFASQSA-N	180.291	3.038	30	20	AGED	
C=C(C)c1cccc(OCC)c1	649444377	RDCWIAPYVUWZQJ-UHFFFAOYSA-N	162.232	3.118	30	20	AGED	
C1CCC(ON=C2CC3(CCC3)C2)C1	774609515	WXWHZGJYUSSDFZ-UHFFFAOYSA-N	193.290	3.266	30	20	AGED	
O=CC1(CC(F)F)CCCCCC1	306258857	RMROGIJZMHSNDH-UHFFFAOYSA-N	190.233	3.181	30	20	AGED	
C=CCNc1cccc2ccsc12	306530786	HMEQPVKVEQYMGL-UHFFFAOYSA-N	189.283	3.499	30	20	AGED	
C=CC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	252691507	YGEONFZFWDFULU-QNWHQSFQSA-N	195.350	3.365	30	20	AGED	
C[C@@H](CCC#N)SC1CCCC1	591124368	MYMIOKLQBGYVGE-VIFPVBQESA-N	183.320	3.354	30	20	AGED	
C=CCCN1[C@@H](C)CCC[C@H]1CC	662157173	ISUPROVXGNHHEH-NWDGAFQWSA-N	181.323	3.216	30	20	AGED	
C=CCCN1CCC(CC(C)C)CC1	760927016	RNLYZVHQOHTCQG-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=CCCCCOC(=O)C1CCCC1	811010242	OBQQKLHCGLSHLF-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@H]1CC	844622050	SXNJNKYISMNLBY-VHSXEESVSA-N	181.279	3.144	30	20	AGED	
C/C=C/C[C@]1(C=O)CCCC[C@@H]1C	306413542	SKIPHHUAZOIADO-HEKLCECKSA-N	180.291	3.348	30	20	AGED	
C=CCN[C@H]1CCC[C@@H]1CCCC	308229166	NZRCXLULFAQVRP-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CCCCN1C[C@@H](C)CCC[C@@H]1C	607742904	XUHFGFPQLFECSW-STQMWFEESA-N	195.350	3.463	30	20	AGED	
CCCON=C[C@@H](C)c1ccccc1	842566231	YCHUKRYCEPXILT-LLVKDONJSA-N	191.274	3.203	30	20	AGED	
CCCC[C@H](C)C(C)=NNCC(C)C	1329439190	HDLSLFUZAXROCI-NSHDSACASA-N	198.354	3.434	30	20	AGED	
C=CCCN[C@@H](C)c1ccc(F)cc1	70591979	GCKGTHOKIIJYIO-JTQLQIEISA-N	193.265	3.052	30	20	AGED	
C[C@H]1CCC[C@@]1(C=O)C[Si](C)(C)C	306381270	WEXVBMRZGGCHSQ-WDEREUQCSA-N	198.382	3.330	30	20	AGED	
C=CCCN(C)[C@H](C)c1cccs1	379389093	KVTRYBWGWGUQFA-SNVBAGLBSA-N	195.331	3.317	30	20	AGED	
CCCCCC(C)=NNCC(C)C	379392202	RIJCXVRDDWIGSQ-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
C=CC[C@H](C)NC[C@H](C)C(C)(C)C	388591916	AYMKSGCCGRKRKR-QWRGUYRKSA-N	183.339	3.223	30	20	AGED	
C=CCCCN[C@@H]1CCCC1(C)C	86874572	ZJFJJBYQFAGRFN-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](C)NCc1sccc1C	124244929	GYNIHGUYRWGSPW-SNVBAGLBSA-N	195.331	3.111	30	20	AGED	
C[C@H]1CC(C2(C=O)CC2)C[C@H](C)C1	306338461	WCXBPXNRAMDQTN-NXEZZACHSA-N	180.291	3.038	30	20	AGED	
C[C@@H]1CCC[C@]1(C=O)C[Si](C)(C)C	306381268	WEXVBMRZGGCHSQ-MNOVXSKESA-N	198.382	3.330	30	20	AGED	
C[C@@H]1CC[C@](C=O)(CC2CCC2)C1	306636751	BCXPLIPCWOJKFD-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
CC[C@@H](C#N)SC/C(C)=C\Cl	388165096	YKVHGYQZOSBGIX-NZGHECTNSA-N	189.711	3.164	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCC1CC(C)C1	621739489	KCZARAPFBGBQRJ-QBHFIFKDSA-N	195.350	3.223	30	20	AGED	
C=C(C)CN1CCC[C@@H]1[C@@H](C)CCC	676041618	JIARXENSTYDOBS-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
CC(C)CNN=C[C@H]1CCC[C@H](C)C1	771568166	WZNUTIDDWVFGEF-RYUDHWBXSA-N	196.338	3.044	30	20	AGED	
CCCNN=C1C[C@@H](C)CC[C@@H]1CC	797401238	ABUAJRJLLWKEJE-QWRGUYRKSA-N	196.338	3.188	30	20	AGED	
C=CCC[C@@H](O)c1ccccc1Cl	70593848	GNTDXCQJLFPYCP-LLVKDONJSA-N	196.677	3.340	30	20	AGED	
C[C@H]1CCC[C@]1(C=O)C/C=C/Cl	307290173	ATPZYCRPJXDHJS-DRDGLUHNSA-N	186.682	3.134	30	20	AGED	
C[C@@H]1CCC[C@@]1(C=O)CC1CCC1	307394266	CSPUDNWPVVSZTD-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=CCCc1csc(CCC)n1	307955741	RBTMNEJYGUBZSE-UHFFFAOYSA-N	181.304	3.214	30	20	AGED	
CC[C@H](C)CON=C[C@H](C)CC	388499107	LIZOVBPTKHPXIO-ZJUUUORDSA-N	171.284	3.081	30	20	AGED	
C=CC(C)(C)C(=O)OCCC=C(C)C	849788854	PEPCPYDCFOUGBP-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
CC[C@@H](C)C[C@H](S)CC	20476607	PEJZBJJDCQBUDH-HTQZYQBOSA-N	146.299	3.131	30	20	AGED	
CCCCCCCCN[C@@H](C)CC#N	126838946	WECLWKDKYSQSAV-LBPRGKRZSA-N	196.338	3.239	30	20	AGED	
C#CCCCS[C@H](C)C(C)C	231628390	ZFNDAGXCBVOUBP-SNVBAGLBSA-N	170.321	3.178	30	20	AGED	
C=C(C)CSCC(=C)Cl	307088622	TXSPMSZXSWGCJY-UHFFFAOYSA-N	162.685	3.048	30	20	AGED	
C=CC[C@@H](C)Nc1nc(CC)cs1	122700152	PAUSXZMNROPFQT-MRVPVSSYSA-N	196.319	3.082	30	20	AGED	
C#CCCCN[C@H](CC)C[C@@H](C)CC	224308551	VYKIFDAVXRYARD-QWHCGFSZSA-N	195.350	3.204	30	20	AGED	
C=CCN1CCC[C@@H](C)[C@@H]1CCC	308247697	YAXAJRGIENRWGD-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCSCc1cccc(C)n1	379376096	RUJJSDAXIUDQPG-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C#C[C@H](CC)N[C@H](C)CCC=C(C)C	379600932	LHJMPSMRYRLKPQ-CHWSQXEVSA-N	193.334	3.123	30	20	AGED	
C=C(C)CN(C)Cc1sccc1C	680867631	OZXWPPYUCJRZPO-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
CC[C@H](C)CON=C(C)c1ccco1	793146458	SADQLKXMLBYYRH-VIFPVBQESA-N	195.262	3.066	30	20	AGED	
Cl/C=C\CON=C1CCC12CCC2	379372088	JAWQVWAXVNVAMY-UUOLCHFQSA-N	199.681	3.076	30	20	AGED	
C#CCN[C@@H](CCCCC)C(C)(C)C	379573428	IRVQORNGMLAAJY-LBPRGKRZSA-N	195.350	3.204	30	20	AGED	
C#Cc1cccc(NC2CC(C)(C)C2)c1	380362520	ZDPZPVOYTMHMSU-UHFFFAOYSA-N	199.297	3.268	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCC[C@H]1C	126872010	CQPUNMRILKQFHW-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=CCC[C@H](C)NCC(C)(C)C=C	384986098	RWOYYQRVONOVIL-NSHDSACASA-N	181.323	3.143	30	20	AGED	
C=C(C)c1ccc(COC)c(F)c1	649444253	KHGPLJHRHMNFBF-UHFFFAOYSA-N	180.222	3.005	30	20	AGED	
CCCCCCCc1nc(CC)no1	731793451	SJBMPQSURBBVGT-UHFFFAOYSA-N	196.294	3.145	30	20	AGED	
C=CCON=C[C@@H](C)C1CCCCC1	835015585	RRVOKMKUZXFOJY-LLVKDONJSA-N	195.306	3.391	30	20	AGED	
C=CCN(C)C1CCC(C)(C)CC1	306541836	UFOOMFTVNZRFEY-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN1C[C@H](C)c2ccccc21	642627609	LJRNHURAIMCKTA-NSHDSACASA-N	187.286	3.186	30	20	AGED	
C=C(CC)CN1CC[C@H](C2CCC2)C1	665288436	NKQHYJXMLRKCDZ-ZDUSSCGKSA-N	193.334	3.075	30	20	AGED	
C=CCc1ccccc1OCC1CC1	675625309	NHSQRVFQGQXLON-UHFFFAOYSA-N	188.270	3.204	30	20	AGED	
C=CC[C@@H]1N(CC=C)CCCC1(C)C	683528171	WIMRENCUOVUNHP-LBPRGKRZSA-N	193.334	3.239	30	20	AGED	
C[C@H]1CCCC1=NNC1CCCCC1	786042912	CTAVSJJHJQRWOS-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C#Cc1cccc(NC[C@@H](C)CC)c1	20085199	VRAXAGRUTHDYBF-NSHDSACASA-N	187.286	3.126	30	20	AGED	
C=CCC1(NCCC)CCCCC1	625937093	LKWXGEJORVRVRP-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
C=C[C@@](C)(CC)c1nc(C(C)C)no1	682376011	VXSDZZJBNVHKKF-NSHDSACASA-N	194.278	3.047	30	20	AGED	
C=CCCCC(=O)O[C@H]1CC[C@H](C)C1	779258658	MFPHBFRYUMBKJH-QWRGUYRKSA-N	196.290	3.075	30	20	AGED	
CC(=NOC(C)(C)C)c1occc1C	1336205262	NURDXXFTSMBYHM-UHFFFAOYSA-N	195.262	3.127	30	20	AGED	
FC(F)(F)[C@H]1CCC[C@H](S)C1	82862815	FLJZHYMWWZUNND-WDSKDSINSA-N	184.226	3.037	30	20	AGED	
Cc1cc(F)c([C@H](C)S)cc1F	87207072	SACCEHLISXSASU-LURJTMIESA-N	188.242	3.264	30	20	AGED	
C=CCNc1cccc(OCCC)c1	308588981	JNKLTWDQJLAODJ-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=CCCC(C)(C)NCCC(C)C	717893759	JMKSZXBHHOJJOD-UHFFFAOYSA-N	183.339	3.367	30	20	AGED	
C=CCCN(CC)C(CC)CC	32209651	RTQHYYPIRYETGA-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
CC(C)=CCC[C@H](C)[C@@H](C)C=O	34402395	RQJWDOKNRPUUJN-QWRGUYRKSA-N	168.280	3.204	30	20	AGED	in-vitro
C=CCCOc1cccc2cccnc12	36420445	OAGRKTMNIUSPCS-UHFFFAOYSA-N	199.253	3.190	30	20	AGED	
C=CCC(C)(C)CNCC(C)(C)C	379863356	QPXOMCAXFWVMEF-UHFFFAOYSA-N	183.339	3.224	30	20	AGED	
C=CCCC[C@@H](O)c1ccccc1	70593706	HKBIUZBZBSIUBN-GFCCVEGCSA-N	176.259	3.076	30	20	AGED	
N#C[C@@H]1CC[C@H](SC2CCCC2)C1	336196397	HTBAUQNOKBYQCL-KOLCDFICSA-N	195.331	3.354	30	20	AGED	
C=CCC1(NCCCF)CCCCC1	625935934	TYEMVZAEWMDCHW-UHFFFAOYSA-N	199.313	3.215	30	20	AGED	
C=CCCN(C)C[C@H]1CCC[C@@H](C)C1	682435051	IOBUSWTUVVSUAF-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
C=CCCCCCN1CC[C@@H](CC)C1	683782440	QMGQSVLQKJXILH-CYBMUJFWSA-N	195.350	3.465	30	20	AGED	
C=C(C)CCOC(=O)CCCC1CC1	812600428	RYUSSBLBJSMEJG-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCN[C@@H]1CCCC[C@@H]1C(C)(C)C	19875753	XCSAGSQWYQJPQN-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](C)Nc1cccnc1C	96034339	FHNKMWXIJDVEIZ-SNVBAGLBSA-N	190.290	3.157	30	20	AGED	
C=CC[C@@H](C)N[C@H](CC)C1CCC1	322854367	QVZNJAAUMJZRRU-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
C=CCCC[C@@H](C)NCc1ccco1	133586113	GJZGDWLTESFWMF-LLVKDONJSA-N	193.290	3.114	30	20	AGED	
C[C@@H]1CCCC[C@@]1(C=O)CC(F)F	306262066	XXYRZZVKEXOIKK-SCZZXKLOSA-N	190.233	3.037	30	20	AGED	
C/C=C/C[C@@]1(C=O)CCC[C@@H](C)C1	306469183	OZZAFEQPAGDBJS-BLDJZWNYSA-N	180.291	3.348	30	20	AGED	
C=CC[C@H](CC)NC(CC)CC	307981269	OUZXMMRGVVRHRJ-NSHDSACASA-N	169.312	3.119	30	20	AGED	
C=C(C)Cn1cc(-c2ccccc2)cn1	603782898	POAHNALJEYTPIH-UHFFFAOYSA-N	198.269	3.126	30	20	AGED	
C=C(C)CN1[C@H](C)C[C@@H]2CCCC[C@H]21	605421713	WIOXXLISLVOWST-FRRDWIJNSA-N	193.334	3.216	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCC1=CCCC1	658292700	MEXCOHOOESXZTC-VXGBXAGGSA-N	193.334	3.287	30	20	AGED	
C=CCCNc1ccc(F)c(F)c1C	669387494	LAJDBCPLYSMURY-UHFFFAOYSA-N	197.228	3.261	30	20	AGED	
C=C(C)CCN1C[C@H](C)CCC[C@@H]1C	681403842	LKUFKYLVTLFOCX-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C[C@H]1CCCC[C@H]1C=NOC1CCC1	812235770	QGAKZOOKJYFCQZ-QWRGUYRKSA-N	195.306	3.368	30	20	AGED	
C=CCOCCSCC1=CCCC1	843305295	WWFZTANTUYILPA-UHFFFAOYSA-N	198.331	3.033	30	20	AGED	
C=CCSc1nc(CC)c(C)s1	845324451	RFYORFMAKAIHLB-UHFFFAOYSA-N	199.344	3.292	30	20	AGED	
CCCCOc1ccc(C#N)cc1C	37733066	KRIMBDBGOWRILI-UHFFFAOYSA-N	189.258	3.046	30	20	AGED	
C#CCCCCN[C@H](CC)CCCC	222289318	GCGCCWGWMJJVNW-CYBMUJFWSA-N	195.350	3.348	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@H](C)[C@@H]1C	229591961	LCPFSZQJDXKPGE-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
CCC[C@]1(C=O)CCCC[C@@H]1C	306198402	PJSLGCVQAAVHGU-WDEREUQCSA-N	168.280	3.182	30	20	AGED	
CC(C)CCC=NOCCC1CC1	382288594	KIARRSHFQMITNO-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CCC[C@H](CC)NC/C=C\CC	648716753	SJZKJCNETDJVQD-UPZNUWHASA-N	181.323	3.287	30	20	AGED	
CCCCCCC=NNC1CCCC1	755689602	RCTOJBLNWYYMOZ-UHFFFAOYSA-N	196.338	3.475	30	20	AGED	
CC(C)CCCN(CCC#N)C(C)C	165324040	TZTIUYBEZTWFPM-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C#C[C@H](CC)N[C@H](CC)C[C@H](C)CC	300399842	XMKTYHWIFMBHEG-JHJVBQTASA-N	195.350	3.203	30	20	AGED	
C=C(CC)CSC(C)C	307535611	OTXWNHAABDOACF-UHFFFAOYSA-N	144.283	3.094	30	20	AGED	
CCCC(C)=NOC[C@@H](C)CC	307981132	ORFUWMSCBXWDFT-VIFPVBQESA-N	171.284	3.225	30	20	AGED	
C=CCCN[C@@H]1CCCC12CCCC2	392818411	FJNIYELFZLNGBL-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
C=CCC(C)(C)CNC1CC(C)(C)C1	393490018	SJLKRRZWWJIOKV-UHFFFAOYSA-N	195.350	3.367	30	20	AGED	
C[C@@H]1CCCC1=NOC1CCCC1	393585319	QLJWRKYFWKSWKP-SECBINFHSA-N	181.279	3.122	30	20	AGED	
CCC[C@H](C)N(C)C[C@@H](C)CCC#N	602441164	UNQQNVMFOWDHQH-RYUDHWBXSA-N	196.338	3.047	30	20	AGED	
C=CCN(C[C@H](C)C(C)(C)C)C1CC1	670269162	XNXCPJBZUYTRMB-NSHDSACASA-N	195.350	3.319	30	20	AGED	
C=CCC[C@H](CC)N[C@@H]1C=CCC1	850511059	YTQWWQQNVBCJTR-NWDGAFQWSA-N	179.307	3.039	30	20	AGED	
C#CCCNc1ccc(C)c(Cl)c1	70159484	KTSVMVPGICTBMO-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCCCCN[C@H]1CCC[C@H]1C	308126200	BBEQJVJFUSRNFO-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
CC(CCC(C)C)=NOCC(C)C	308157952	SMRXGNKAXQFUSF-UHFFFAOYSA-N	185.311	3.471	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC1(C(C)C)CC1	393908552	QCWNTOLWADBZHR-NWDGAFQWSA-N	195.350	3.365	30	20	AGED	
C=CCCN1C[C@H](CC)CC[C@H]1C	661859850	IUEWYABWKLNXCQ-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
Cc1c(C#N)sc(Cl)c1Cl	725328806	RXQIAOOWQHSRFZ-UHFFFAOYSA-N	192.070	3.235	30	20	AGED	
C#Cc1cccc(N(C)CC(=C)CC)c1	773427491	MWWBGXSHZUSREH-UHFFFAOYSA-N	199.297	3.070	30	20	AGED	
C=C[C@@H](C)ON=C1CC[C@H]1C1CCC1	844619851	DZKNDGKQTPPKLL-KOLCDFICSA-N	193.290	3.144	30	20	AGED	
C#CCCCSCC/C=C\C=C	902350334	JMACGYMHFSXEHF-ALCCZGGFSA-N	180.316	3.265	30	20	AGED	
C=C(C)CCC(=O)N[C@@H](CC)CCC	1346763031	JUKKJXMYYOTRQH-NSHDSACASA-N	197.322	3.038	30	20	AGED	
C=CCCOc1cccc(CC)c1	82865299	QARKQSZFHPFKMU-UHFFFAOYSA-N	176.259	3.204	30	20	AGED	
CC#CCNc1c(C)cccc1Cl	85388581	UJIBZBNTTXYLEH-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCC[C@H](C)C1	126886189	CZBBYUQGUBYUQY-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
CC(C)C[C@]1(C=O)CC[C@H](C)C1	306195659	IWGKTLGZKZGGLS-WDEREUQCSA-N	168.280	3.038	30	20	AGED	
C=CCCOc1ccc(C)c(C)c1	388652296	SCQIMBZYJYUZHA-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
C=CCN(CC1CC=CC1)C(C)(C)C	661757971	MVSSZXGFBJLAIW-UHFFFAOYSA-N	193.334	3.239	30	20	AGED	
C=C(C)COc1ccc2ncccc2c1	677646796	TWTYHGZIQCQRDP-UHFFFAOYSA-N	199.253	3.190	30	20	AGED	
CCCCC(C)=NO[C@@H]1CCCCO1	755820573	JIHUGJGCTMLYQZ-LLVKDONJSA-N	199.294	3.096	30	20	AGED	
CC(C)CNN=C[C@H]1CCC[C@@H](C)C1	771568159	WZNUTIDDWVFGEF-NEPJUHHUSA-N	196.338	3.044	30	20	AGED	
CCCCCCNC[C@@H](C)CCC#N	876887281	QPQZMNWCLUKTGL-LBPRGKRZSA-N	196.338	3.096	30	20	AGED	
C=CCCNc1cc(F)ccc1C	70591415	LYCHASBTHXQXGI-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
N#Cc1cccc(O[C@H]2C=CCCC2)c1	169083412	URBRMSULKYIDFY-LBPRGKRZSA-N	199.253	3.046	30	20	AGED	
CCC[C@]1(C=O)CCC[C@H](C)C1	306449620	AWAQTPKXGDZBNO-QWRGUYRKSA-N	168.280	3.182	30	20	AGED	
C=C(CC)CSc1nc(C)co1	308067908	ZRMUYNZEVZFZDN-UHFFFAOYSA-N	183.276	3.041	30	20	AGED	
C=CCCN(CC(C)C)C1CCCC1	606897322	OCTBVHQHMCLFIU-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=C(C)CN(C)C[C@@H]1CCCC[C@H]1C	680335216	SHCAPJKULOEYKM-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
CCCCCC=NNc1ccccn1	755519098	HFBSFVFYTOLXEV-UHFFFAOYSA-N	191.278	3.060	30	20	AGED	
CC(C)CNN=C[C@H]1CCCC[C@H]1C	783863358	KPDNFVKAIPWCKP-VXGBXAGGSA-N	196.338	3.044	30	20	AGED	
C=C(C)CNc1ccc(F)c(F)c1C	841704814	GWIILJZAHIYGFN-UHFFFAOYSA-N	197.228	3.261	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@@H](C)[C@H]1C	70591449	XLLXOQWWKQOKID-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
C=C(C)CNC1CCC(C)(C)CC1	70655345	IQEQXWQOVOXSJC-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=C(C)C[C@]1(C=O)CCC[C@H](C)C1	306328020	ZAIKYPZJQASUGS-NWDGAFQWSA-N	180.291	3.348	30	20	AGED	
C=C(C)CC1(C=O)CCC(C)CC1	307560770	IDQGQGVXWQEKFI-UHFFFAOYSA-N	180.291	3.348	30	20	AGED	
C=CCCCN1CCC(CC)CC1	308375123	RVKSNBLKPHSNCS-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CC[C@@H](CC)NCc1ccoc1C	321497200	LDFXZQPICCZSFA-GFCCVEGCSA-N	193.290	3.032	30	20	AGED	
C=CCCN(C1CC1)[C@@H](C)[C@@H](C)CC	606897848	IPHPWJSVUDWZER-RYUDHWBXSA-N	195.350	3.462	30	20	AGED	
C=C(C)c1cccc2c1OCCC2	649444129	CYDQPPGQBHOQMD-UHFFFAOYSA-N	174.243	3.045	30	20	AGED	
C=C(C)CCc1noc(/C(C)=C/C)n1	671670866	PXTGKGQXDHTPEZ-WEVVVXLNSA-N	192.262	3.002	30	20	AGED	
CC(C)CON=C1CCC[C@H]1C(C)C	749631276	JZUBOADLOQTBET-NSHDSACASA-N	197.322	3.471	30	20	AGED	
C=C[C@H](C)ON=C[C@H]1CCC[C@H](C)C1	844621897	PEALUYVOYZZEMB-SRVKXCTJSA-N	195.306	3.390	30	20	AGED	
C[C@@H]1CC[C@H](C=NOCC2CCC2)C1	853440834	JWMDWCGGMGZPBX-PWSUYJOCSA-N	195.306	3.225	30	20	AGED	
C#CC(C)(C)CC1CCCC1	585143247	NZNLJNWQWPHEGE-UHFFFAOYSA-N	150.265	3.226	30	20	AGED	
C=CCC(C)(C)c1nc(C(C)C)no1	644558774	UPLVJOPRBVVKKC-UHFFFAOYSA-N	194.278	3.047	30	20	AGED	
CCC[C@H](C)N[C@@H](C)CC(C)(C)C#N	695887557	RFMUKSFBLWFVDJ-QWRGUYRKSA-N	196.338	3.093	30	20	AGED	
C=CCN(CCCC)c1ccccc1	755488881	UVBZBCSNIVIBEQ-UHFFFAOYSA-N	189.302	3.479	30	20	AGED	
CCCCCCCON=CC1CC1	853735092	OHBLXVDZHABHIH-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CC[C@@H](C)Nc1ccc(C#N)cc1C	37895007	NXSVGARZIGNYIL-SNVBAGLBSA-N	188.274	3.077	30	20	AGED	
C=C[C@H](C)NC1CCC(CC)CC1	157231058	ZJLHOGRHZVEJMF-UNXYVOJBSA-N	181.323	3.119	30	20	AGED	
C[C@H]1CCC[C@@H](CC2(C=O)CC2)C1	306319467	AIENBEQPZBCIQO-WDEREUQCSA-N	180.291	3.182	30	20	AGED	
CC(C)CC=NOC1CCCCC1	308259597	MSQFKUNKVOQFIO-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=C(C)CCN[C@H](CC)C1CCC1	322293397	RRMSJIVBPUHHOA-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
CC(C)(C)CS[C@@H]1CC[C@@H](C#N)C1	336255232	CXTKCFTXGYTWNP-NXEZZACHSA-N	197.347	3.458	30	20	AGED	
C=CCN(CC1CCCCC1)C1CC1	613502580	NGMVOQVXHIJPRY-UHFFFAOYSA-N	193.334	3.217	30	20	AGED	
CCCCCCCCC(=O)NCCC	80028504	JFTVGUJDAFKJNT-UHFFFAOYSA-N	199.338	3.263	30	20	AGED	
N#Cc1ccccc1O[C@@H]1C=CCCC1	169084415	PTVLQUQUALDXBL-GFCCVEGCSA-N	199.253	3.046	30	20	AGED	
C=CCN(Cc1ccsc1)C(C)C	308148465	MZANNPBMTMPOGG-UHFFFAOYSA-N	195.331	3.145	30	20	AGED	
C=CC[C@H](C)N[C@@H](CC)C1CCC1	322854365	QVZNJAAUMJZRRU-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
C=CC[C@@H](CC)NC1CC(C)(C)C1	379382919	FSPPCKCMDVXDRM-SNVBAGLBSA-N	181.323	3.119	30	20	AGED	
C=CCCCCN[C@H]1CC[C@H]1CC	388671452	YDZIWHOSEKCABK-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C#CC(C)(C)Cc1ccc(F)cc1	585142412	ARKKDNMXOWYELJ-UHFFFAOYSA-N	176.234	3.028	30	20	AGED	
C=CCN(C)[C@H](C)c1ccc(C)cc1	642641950	LDEMPKIICMOJNM-GFCCVEGCSA-N	189.302	3.174	30	20	AGED	
CCC(CC)CNN=C1CCC[C@H]1C	774476160	DAEKYMJTIZSQGP-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
CC#CCSCC=C(Cl)Cl	853783798	YRHHRHDOYCGKBN-UHFFFAOYSA-N	195.114	3.062	30	20	AGED	
C=CCC[C@@H](C)N[C@@H](C)CC(C)C	126884444	VVCVCXIEOAMEJA-NEPJUHHUSA-N	183.339	3.365	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1cccc(C)c1	157296681	DYPVIGLZPXOBQG-RYUDHWBXSA-N	189.302	3.220	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC=C(C)CC1	379668669	ZXZJICXWNHHDPC-QWHCGFSZSA-N	193.334	3.430	30	20	AGED	
C#C[C@@H](N[C@@H](C)CCCC)C(C)(C)C	389365113	UPNPARXCXRCODJ-NWDGAFQWSA-N	195.350	3.203	30	20	AGED	
C=CCC[C@@H](NC/C=C\CC)C1CC1	651412673	NXCLJYACTGLGOK-SCXUMTSISA-N	193.334	3.287	30	20	AGED	
CCCON=C1CCCCCC1	842566179	VYNUJEXSQQFUJM-UHFFFAOYSA-N	169.268	3.123	30	20	AGED	
CC(C)c1cccc(NCCC#N)c1	36723461	SISCDWIBZACHCL-UHFFFAOYSA-N	188.274	3.136	30	20	AGED	
CCCCCC[C@@H](C)NC[C@@H](C)C#N	42207590	SGJZWNXZUSIOMB-NWDGAFQWSA-N	196.338	3.095	30	20	AGED	
C=CCCCCN[C@@H](C)CC1CC1	308236144	WBLOGCSYOMMVJS-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCC[C@@H](CC)NCCCCC#N	379654411	IZMAXXSTGCHKRW-GFCCVEGCSA-N	194.322	3.015	30	20	AGED	
CC#CCCN1C[C@H](C)c2ccccc21	680882893	NUJNKEHMNQNAMK-LBPRGKRZSA-N	199.297	3.024	30	20	AGED	
C=CCSc1cccs1	36466302	MYBKJAKHPFIXNE-UHFFFAOYSA-N	156.275	3.026	30	20	AGED	
C[C@@H](S)Cc1ccc(Cl)cc1	235302885	VXWRHXGVDKXCIS-SSDOTTSWSA-N	186.707	3.201	30	20	AGED	
C#C[C@@H](N[C@@H](C)CCCCC)C(C)C	301017243	ZYGIODTURDYZJS-QWHCGFSZSA-N	195.350	3.203	30	20	AGED	
C#CCCCSCC(C)(C)C	379232437	PSYWXIGBSYRRDX-UHFFFAOYSA-N	170.321	3.179	30	20	AGED	
C=CCN(C)CCCC1CCCC1	379390381	NTGPTKYOOONHOR-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCN(C)[C@@H](C)c1ccco1	605150194	INAOXZCRPGKHSZ-NSHDSACASA-N	193.290	3.239	30	20	AGED	
C=CCCCCCN1CC[C@@H]2C[C@@H]2C1	661968332	XKJGCFCATKTKBK-CHWSQXEVSA-N	193.334	3.075	30	20	AGED	
C=C(CC)CN[C@@H]1CCCC[C@H]1C	85057141	AQNBHJDSGTZOKG-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1ccc(C)cc1	157293032	KOAXTTFYVMMDEH-RYUDHWBXSA-N	189.302	3.220	30	20	AGED	
CCCSc1cccc(C#N)c1	203005915	POIJNQSSLFIBNO-UHFFFAOYSA-N	177.272	3.060	30	20	AGED	
C=C(C)CNc1ccccc1SC	219062351	VENCCTNLMUBVOZ-UHFFFAOYSA-N	193.315	3.397	30	20	AGED	
CC(C)C[C@]1(C=O)CCC[C@H](C)C1	306354221	QQXPKBWRZWXHHH-NWDGAFQWSA-N	182.307	3.428	30	20	AGED	
C=CCCN[C@@H](CC)[C@@H](C)CCC	658117682	YSHOHERLLLPXQA-RYUDHWBXSA-N	183.339	3.367	30	20	AGED	
C[C@@H]1CCCC1=NNc1ccccc1	729141359	YPBBPJZIUMIXTD-SNVBAGLBSA-N	188.274	3.275	30	20	AGED	
CCC(CC)NN=C(C(C)C)C1CC1	734366337	NQUNVLRFUZEMNP-UHFFFAOYSA-N	196.338	3.187	30	20	AGED	
C=C(CC)CSCc1cnoc1C	853771430	XDOFCRSKBACGRU-UHFFFAOYSA-N	197.303	3.182	30	20	AGED	
C=C(CC)CSc1ccc(O)cc1	85064517	TWBCXPHDIVWMJK-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C=CCCCN(C)C(C)(C)CC	307951918	OPJSVCHKYLFITJ-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=C(CC)CN(C)CC1CCCC1	393714635	JRQYWUMNUGPXIM-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCCOC(=O)/C=C\C(C)C	811012260	DDFBBDVRUVXZEM-HJWRWDBZSA-N	196.290	3.098	30	20	AGED	
C=CCCN[C@H]1CCC[C@H](CC)C1	82847618	WNTPCAVMCINXAU-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
COCCC1(C#N)CCC(C)(C)CC1	83778477	KYKZDRKXPRRCAO-UHFFFAOYSA-N	195.306	3.133	30	20	AGED	
C=CCC1(O)CCC(C(C)C)CC1	86712631	ANRFVCYRIHREHG-UHFFFAOYSA-N	182.307	3.140	30	20	AGED	
C=CCCCSC/C=C/C	306696551	WUJWHQHKDNKHAE-GQCTYLIASA-N	156.294	3.262	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)[C@H]1C[C@H]1C	321922473	RGLVZWRGFRPDTL-GRYCIOLGSA-N	195.350	3.223	30	20	AGED	
CC(=NOC(C)C)c1ccc(C)s1	835004309	LQCZSQCURAFDAH-UHFFFAOYSA-N	197.303	3.206	30	20	AGED	
C=CCON=C1C[C@@H](C)CC[C@H]1C	835014613	JRVUXSRMDMSIHI-VHSXEESVSA-N	181.279	3.001	30	20	AGED	
C=CCCCCN[C@@H]1CCC[C@@H]1C	308126201	BBEQJVJFUSRNFO-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C#C[C@H]1CC[C@H](C(C)C)CC1	306581195	OKRJUYHCWDYCBM-XYPYZODXSA-N	150.265	3.082	30	20	AGED	
C=CCCCN1CCC[C@@H](C)[C@H]1C	308199074	TVWJTLAQVOIMGC-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=CCCCCCN(C)C1CCC1	388719359	RVTFTRQTXSPKGR-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=C(C)C(C)(C)C(=O)OC/C=C/CC	819956733	YLPICKWGIMOEAL-BQYQJAHWSA-N	196.290	3.098	30	20	AGED	
CCC1CCC(C(C)(C)C=O)CC1	306449655	BAZUZJSUNSEODB-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
C=C(Cl)CN[C@H]1CCC12CCCC2	306466428	KRQVLGZQAACJTJ-JTQLQIEISA-N	199.725	3.051	30	20	AGED	
CC#CCCOc1ccc(C)c(C)c1	306760722	RDAJLYAXKBOJAD-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C=CCCC[C@H](C)N[C@@H]1CC[C@H]1C	308249002	GUPUYNDXLIFMJP-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=CCC[C@@H](C)NCC1CC(C)(C)C1	379609248	SAVDKIIZBXYIPP-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)[C@@H](C)CC	384980456	QQDXLRQXLGRLQO-QWRGUYRKSA-N	183.339	3.223	30	20	AGED	
C=C[C@@H](CC)OC(=O)C(C)(C)C(=C)C	820505000	JYVJYSPSGOSONQ-JTQLQIEISA-N	196.290	3.097	30	20	AGED	
CC[C@H](C)NN=C1CCCCC[C@H]1C	844593417	PXQZFCWTEDWWRP-MNOVXSKESA-N	196.338	3.331	30	20	AGED	
C#CCCCCCC=NO[C@@H](C)C=C	844620823	QPSQBOIFQRQQCP-LBPRGKRZSA-N	193.290	3.147	30	20	AGED	
C=CCCN[C@@H](C)c1ccccc1F	70592007	ODPTXHYVLJCYPN-JTQLQIEISA-N	193.265	3.052	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC[C@H](CC)C1	157274922	WXSBUDCHPYIKIP-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=C(C)c1cccc([C@@H]2CCCN2)c1	212092435	KGPFWZNIPBHQKU-ZDUSSCGKSA-N	187.286	3.144	30	20	AGED	
S[C@@H]1CCCC12CCCCC2	306232184	LLSXKTOSMNRJSH-SECBINFHSA-N	170.321	3.419	30	20	AGED	
C=C(CC)CN1CCC[C@H](C)[C@@H]1C	306554982	KOZMDGZXJACEMZ-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
CC(C)ON=C1C[C@@H](C)CC[C@@H]1C	835002563	QASSTPPLFQKMSI-UWVGGRQHSA-N	183.295	3.224	30	20	AGED	
CC(C)(C#N)CCOc1ccccc1	83640470	YSASHRYADQMURQ-UHFFFAOYSA-N	189.258	3.005	30	20	AGED	
CC(C)CS[C@H]1CC[C@H](C#N)C1	336195169	PCZQUVKBOXXEJL-UWVGGRQHSA-N	183.320	3.068	30	20	AGED	
C#CCCCN[C@@H](C)[C@H](C)CCCC	389302153	MJRYBRKNTLMCOB-OLZOCXBDSA-N	195.350	3.204	30	20	AGED	
C=CCCN[C@@H]1CCC[C@H](C2CC2)C1	168561064	WXPLFBSEDODPSB-QWHCGFSZSA-N	193.334	3.121	30	20	AGED	
CC#CCS[C@H](CC)CCC	307884018	SRBDCPOIGJWSDC-SNVBAGLBSA-N	170.321	3.322	30	20	AGED	
C=CCCCN[C@H](C)c1ccccc1	38251575	VJDKPIIPMMQEEX-GFCCVEGCSA-N	189.302	3.303	30	20	AGED	
C=C(Cl)CN1[C@@H](C)CCC[C@@H]1C	306545873	DSZWLXFNSMAUJC-UWVGGRQHSA-N	187.714	3.002	30	20	AGED	
C[C@@H]1CCC[C@]1(C=O)CC1CCC1	307394267	CSPUDNWPVVSZTD-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=CCCCCCCNC[C@H]1C[C@@H]1C	308635010	CBMGGZXCRBERJC-QWHCGFSZSA-N	195.350	3.369	30	20	AGED	
CCCCCC#CCC1(O)CCCC1	616581523	XOESSRYONVPWRN-UHFFFAOYSA-N	194.318	3.265	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCC1CC=CC1	624076113	HUXDQMBRXBHZJQ-VXGBXAGGSA-N	193.334	3.143	30	20	AGED	
C=CCN(CCCCF)C(C)(C)C	661760719	XVXYJCLPALHYPR-UHFFFAOYSA-N	187.302	3.023	30	20	AGED	
C=C(C)CN1CCC[C@@H]1[C@H](C)CCC	676041616	JIARXENSTYDOBS-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C(C)c1ccc(C2(C#N)CC2)cc1	871887493	SALLGARVAAYGLP-UHFFFAOYSA-N	183.254	3.275	30	20	AGED	
CC(C)CSc1ccccc1C#N	34937869	RDAFNRZRLOWBHJ-UHFFFAOYSA-N	191.299	3.306	30	20	AGED	
C=CCCn1cc(-c2ccccc2)cn1	144866088	UMWBNIJTDIQKOM-UHFFFAOYSA-N	198.269	3.126	30	20	AGED	
C=C(C)CN[C@@H]1CCC(C)(C)C[C@H]1C	160650745	WPNXMFXJTAPQEN-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1	230998130	XRBDMLLWSNVMEC-YNEHKIRRSA-N	195.350	3.365	30	20	AGED	
C=C(CC)CSCCCF	307011904	KINGZHPPFMGOGH-UHFFFAOYSA-N	162.273	3.045	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@H]1CCC1(C)C	379652831	HGNRBVLDHQNHCW-SRVKXCTJSA-N	195.350	3.365	30	20	AGED	
CC(C)ON=C1CC(C)(C)C[C@H]1C	835003057	QPJMFIQBZPXPGQ-SECBINFHSA-N	183.295	3.224	30	20	AGED	
CC[C@@H]1C[C@H]1CSCCCCC#N	902578808	FHUBXQKKNGAXRE-MNOVXSKESA-N	197.347	3.460	30	20	AGED	
C=CC[C@H](C)N[C@H](C)c1cccs1	161676451	WOLOHOPKQGKJDJ-VHSXEESVSA-N	195.331	3.363	30	20	AGED	
C=C(C)CCNc1ccccc1OC	168942276	MAOUKAWMSXNSNX-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=C(Cl)CSc1ccncc1C	306627892	JWXYMZLLOMTIGH-UHFFFAOYSA-N	199.706	3.235	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)CC1CCC1	395382118	KBWGKXIBKDNIGZ-NSHDSACASA-N	195.350	3.367	30	20	AGED	
C=CCCC(=NN[C@H](C)CC)C1CC1	790181899	AIQJFCJIBHISIF-SNVBAGLBSA-N	194.322	3.107	30	20	AGED	
CC[C@H](C)NN=C[C@H]1CCCC[C@@H]1C	790182912	NJCGPPDWZZCMCI-SDDRHHMPSA-N	196.338	3.187	30	20	AGED	
C=CCCCCC(C)=NNCC(C)C	1324609778	BXMXDWUDMMEDNC-UHFFFAOYSA-N	196.338	3.354	30	20	AGED	
CC[C@@H]1CC[C@@](C=O)(C2CCC2)C1	306255568	MRSIKULKPUPOMM-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=C(Cl)CN(CC)C[C@@H](C)CC	307946565	JVYAMLZGGRGEBV-VIFPVBQESA-N	189.730	3.107	30	20	AGED	
C=C(Cl)CN(C1CCC1)C1CCC1	379362952	IVDUCLCILJUGCK-UHFFFAOYSA-N	199.725	3.146	30	20	AGED	
C=CCCCCN(C)[C@H](C)C1(C)CC1	649344483	LAQAUIBZMYMTEH-GFCCVEGCSA-N	195.350	3.463	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCC1=CCCC1	658292698	MEXCOHOOESXZTC-NWDGAFQWSA-N	193.334	3.287	30	20	AGED	
C=C[C@@](C)(CC)C(=O)OC1CCCC1	785757462	KBRAJVONDQXZSH-LBPRGKRZSA-N	196.290	3.075	30	20	AGED	
CC1=CCC[C@@H](C)[C@@H]1C=NOC(C)C	835002121	JNTCAFMBAURZJN-VXGBXAGGSA-N	195.306	3.390	30	20	AGED	
CCC(CC)=NNc1ccc(F)cc1	916268213	QRCWJEYBCOKOCB-UHFFFAOYSA-N	194.253	3.414	30	20	AGED	
C=C(C)CS[C@H](C)c1ncc(C)o1	308300425	LQULXTHOWQCLBI-SECBINFHSA-N	197.303	3.353	30	20	AGED	
C=C(CC)CSc1nc(C)c(C)o1	379388356	JJCUDYNRYMZNIC-UHFFFAOYSA-N	197.303	3.350	30	20	AGED	
C=CCCCN1CC[C@](C)(CC)C1	388712596	PXSPJQWHNMUPAM-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
CCCC[C@@H]1CCCC1=NNC1CC1	758128734	COLQWSXWNDIFAE-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C[C@H]1CC(=NOC2CCC2)C[C@H](C)C1	812235315	RVTXVVYPLRPABF-NXEZZACHSA-N	195.306	3.368	30	20	AGED	
C#CCCCSCCC=C(C)C	853771009	SSXQVQPLVLJCNP-UHFFFAOYSA-N	182.332	3.489	30	20	AGED	
C=C(C)CCN[C@@H]1CCCC1(C)C	169006261	YNMXVVLXZDKBBZ-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@H](CC)N[C@H](C)C1CC1	308214744	IJSSTXMIQGRAHE-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
C=C(C)CNC[C@H]1CCCC(C)(C)C1	308489697	BBKHAIPXNSJAMK-LBPRGKRZSA-N	195.350	3.369	30	20	AGED	
C=C(C)CCNC1[C@@H](C)CCC[C@@H]1C	308648826	JFLWMKDTQUKUKT-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=CC(C)(C)CN[C@@H](CC)C1CCC1	322451445	IEKQZJSXDZEQJZ-LBPRGKRZSA-N	195.350	3.367	30	20	AGED	
C=CC[C@H](CC)Nc1ncc(C)s1	379368387	YCBUDQKBUCZHCN-VIFPVBQESA-N	196.319	3.218	30	20	AGED	
C#C[C@@H](N[C@H](CC)C(C)C)C(C)(C)C	379650125	DLJIXKFRZLQLJP-VXGBXAGGSA-N	195.350	3.059	30	20	AGED	
C[C@H](CCC#N)Sc1ccccc1	591124335	AMLLCTZWVKSADL-SNVBAGLBSA-N	191.299	3.471	30	20	AGED	
CCC[C@@H](C)N[C@H](C)CC(C)(C)C#N	695887553	RFMUKSFBLWFVDJ-GHMZBOCLSA-N	196.338	3.093	30	20	AGED	
C=C[C@@](C)(CC)C(=O)OCCC(C)C	785754299	QNKUCZYFLFMYRT-LBPRGKRZSA-N	198.306	3.178	30	20	AGED	
C=CCCC(CC)=NOC(C)C	835004541	RGYJBPSQDAQIKS-UHFFFAOYSA-N	169.268	3.144	30	20	AGED	
C[C@H](C=NOCC1CC1)C(C)(C)C	388233111	NHQDFEDGAKAROR-SECBINFHSA-N	183.295	3.081	30	20	AGED	
C=C(C)CN1CCC[C@H](C)[C@@H]1CCC	608566555	MAJZTTOJSRNLMN-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=C(CC)CN1C[C@H]2CCC[C@@H](C2)C1	671707211	NIVOCGNRFHOTGL-STQMWFEESA-N	193.334	3.075	30	20	AGED	
C[C@H](S)c1ccc(F)cc1Cl	70602745	LAQCZOFANOVRFM-YFKPBYRVSA-N	190.670	3.470	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)c1ccccc1	157229254	PKCKJQUOROMSDG-AAEUAGOBSA-N	189.302	3.302	30	20	AGED	
C#CCCCSC1CCCC1	161026184	SROFFFMPKZQDJV-UHFFFAOYSA-N	168.305	3.076	30	20	AGED	
C[C@@H]1CCCC[C@@]1(C=O)CC1CC1	306471990	SLAQVJDZZVQMGE-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
CCC[C@@H](C)C(CC)=NOCC	307979489	NUZBJLVIHVKCRP-SECBINFHSA-N	171.284	3.225	30	20	AGED	
CC(C)CS[C@H]1CC[C@@H](C#N)C1	336195171	PCZQUVKBOXXEJL-ZJUUUORDSA-N	183.320	3.068	30	20	AGED	
C=CCCN[C@@H](CCC)CCC=C	658117567	XGXGFFFZPPUEGT-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C=CCCOC(=O)CC1CCCCC1	729073351	SNRWMYTUFZNCFV-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCCCOC(=O)CCC1CCC1	750393668	RZDXKWDWZQVDRB-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC(C)CNN=C1C[C@@H](C)C[C@H](C)C1	771557878	QHNSDFAFDVIEOJ-QWRGUYRKSA-N	196.338	3.044	30	20	AGED	
C=CC(C)(C)C(=O)OC1CCCCC1	835042996	NXSSEDRRAXFHHC-UHFFFAOYSA-N	196.290	3.075	30	20	AGED	
C=CCCCNc1cc(F)ccc1F	70591299	NAUJUAAUQOKUOQ-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
CCSCc1ccc(C#N)c(C)c1	260828875	PXGROKMBLHONSY-UHFFFAOYSA-N	191.299	3.120	30	20	AGED	
CC[C@H]1CCCC[C@@H]1C1(C=O)CC1	306257330	PNOVHGPIMSAISJ-QWRGUYRKSA-N	180.291	3.182	30	20	AGED	
C=CCCCCNCCC(C)(C)C	308209041	KBWOBPGOPNMSHW-UHFFFAOYSA-N	183.339	3.369	30	20	AGED	
C=CCCC[C@@H](C)Nc1ccccn1	308644229	GPQZBUXMRHQIIM-LLVKDONJSA-N	190.290	3.238	30	20	AGED	
C=C(C)CSCCCOC(C)C	388474062	PLVBYMRSEBKSLC-UHFFFAOYSA-N	188.336	3.111	30	20	AGED	
C=C(CC)CN1C[C@H](C)C[C@H]1CC	388607150	WBBZGXVMKGJJTL-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
N#Cc1cccc(OCC2=CCCC2)c1	401124983	PZPRLWZYFLZTDV-UHFFFAOYSA-N	199.253	3.047	30	20	AGED	
C=CCCN1CCC[C@](C)(CCC)C1	608510975	VXCXHYFYWAZYOG-ZDUSSCGKSA-N	195.350	3.465	30	20	AGED	
C=CCOC(=O)C1(CC)CCCCC1	764668479	PQPZYRFZFMSODJ-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CC(C)(C)COC(=O)C(C)(C)CC	835725901	JYIQKVNYWDVBIM-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
C=CCCCN[C@H](C)CCCC	70592229	KPPNKHTUTVQVHF-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
C=C(CC)CNc1ccc(Cl)cn1	307534002	AKDOQGKHDIONJX-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=CCCN(C)C1CCC(C)CC1	308267238	QHCOXFVRQLLVLW-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CC[C@@H](CC)N[C@H]1CC=C(C)CC1	379668668	ZXZJICXWNHHDPC-OLZOCXBDSA-N	193.334	3.430	30	20	AGED	
C=CCC[C@@H](C)N[C@H](CC)CC=C	388845055	ZEZROTZLQLKEDV-VXGBXAGGSA-N	181.323	3.285	30	20	AGED	
CC(C)(C)CCSCCCC#N	393349438	RQDLMBORSJECCD-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C=C(C)CCN1CCC[C@H]2CCC[C@@H]21	681403461	KEYHVFHRBMDSEJ-OLZOCXBDSA-N	193.334	3.217	30	20	AGED	
CC(C)(C)ON=C/C=C/c1ccco1	1323133254	UEZLWDHXWJANSW-RVAHXVSBSA-N	193.246	3.094	30	20	AGED	
CC(C)(C)C(=O)C=C(O)C(C)(C)C	1857791603	SOZFXLUMSLXZFW-UHFFFAOYSA-N	184.279	3.090	30	20	AGED	
CCCCCCCN(C)CCC	112963755	VZCDJZXWMNOHNZ-UHFFFAOYSA-N	171.328	3.299	30	20	AGED	
C=CCCN1CCCC[C@@H]1C(C)C	308155515	QWDYFCOQMOBYON-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=CCCN[C@H](CC)c1ccsc1	382196387	ZWDGFZRNEUYOOX-LLVKDONJSA-N	195.331	3.365	30	20	AGED	
CC(C)CON=C[C@H]1CC=CCC1	388602559	SNNWHKDGRNEGRA-NSHDSACASA-N	181.279	3.001	30	20	AGED	
CCC[C@H](CC)NCC(C)(C)CC#N	590970550	CGXQOSRZTLLFPS-NSHDSACASA-N	196.338	3.095	30	20	AGED	
CCCCNN=C(C)CC1CCCC1	752727863	UIBJMYFKKGORHV-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CCCCCCC=NOC(C)C	835001110	URDHXWMAFWCHDQ-UHFFFAOYSA-N	171.284	3.368	30	20	AGED	
C=CCC[C@H](CC)NC/C=C/Cl	898433370	NYGAVUHYSWDJJS-PCGIRMHASA-N	187.714	3.073	30	20	AGED	
C=CCCSCc1ccccc1	39204497	XQHOVNXSJLTKGB-UHFFFAOYSA-N	178.300	3.496	30	20	AGED	
C[C@H]1CCC[C@H](C(C)(C)C=O)C1	217765327	HYIDZHMLXWTZCC-UWVGGRQHSA-N	168.280	3.038	30	20	AGED	
C=CCCN(C)c1cccc(C)c1	308274317	UQLRQQCTTSKVPG-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
C=CCC[C@H](C)NCCCCC	126712796	JTLYEIMBLFOKCN-NSHDSACASA-N	169.312	3.121	30	20	AGED	
CC(C)CSc1cccc(C#N)c1	229754423	VHZZVRVIJCXPRG-UHFFFAOYSA-N	191.299	3.306	30	20	AGED	
C=CCC[C@@H](C)NCc1ccoc1C	389298030	HJVPYZWTERBSBI-SNVBAGLBSA-N	193.290	3.032	30	20	AGED	
C=C(C)CCN1C[C@@H](C)CC(C)(C)C1	681410507	XSCYYZRXTJJJDT-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
C=CCCC(=NOCC(C)C)C1CC1	749632090	VDWWNBRKDMYTFU-UHFFFAOYSA-N	195.306	3.391	30	20	AGED	
CCCON=C1CCCC[C@H]1CC	842554919	RTXXHRXGARKOGF-SNVBAGLBSA-N	183.295	3.369	30	20	AGED	
C=CCCN[C@@H]1CCCCC1(C)C	86875100	CQJJCIJHIYKBDB-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CC[C@H]1CC[C@](C=O)(C(C)C)C1	306595203	UAXGLTPFTUHOIL-QWRGUYRKSA-N	168.280	3.038	30	20	AGED	
C=C(CC)CN1C[C@H](C)CC1(C)C	306689444	KVJFUNAKQKZYQJ-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=CCCCN1C2CCCC1CCC2	608499602	QZRAZNRMUXQWAL-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
C=C(C)CCN1CC(C)(C)C[C@@H]1C	665221899	PSLXHZSKALSRQR-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C[C@H]1CCCC(=NOC2CCC2)[C@H]1C	812235221	PIPKYXSAUOYVQJ-UWVGGRQHSA-N	195.306	3.368	30	20	AGED	
C=C(C)CON=C[C@H](C)C(C)(C)C	844618237	MWRNPDIGTAUBHX-JTQLQIEISA-N	183.295	3.247	30	20	AGED	
C=C(CC)CN(CC)C(C)(C)C	1327998810	MYGVHUSVMDBKQN-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
CC1CC(C#N)(c2ccccc2F)C1	70068584	SSGOIYHNURXVOV-UHFFFAOYSA-N	189.233	3.017	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CCC[C@@H](C)C1	306184503	PXVFDGOQGMZALK-GRYCIOLGSA-N	182.307	3.428	30	20	AGED	
C=CC[C@@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	252691508	YGEONFZFWDFULU-XQHKEYJVSA-N	195.350	3.365	30	20	AGED	
CC[C@H]1CCC[C@@](C=O)(C2CC2)C1	306311071	RIDDUYMCOJEZGO-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
C=C(CC)CSC/C=C/C	307282627	ISJOXPREJZWPRS-GQCTYLIASA-N	156.294	3.262	30	20	AGED	
CC[C@@H](C)C(C)=NOCCC1CC1	308430151	ZJHDEVYFVCOZPR-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C=C(CC)CN[C@@H](CC)C1CCC1	324892212	MLWIGMVSUZAVOH-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=CCN(CCCC)CCCC	32154079	XXKFHYIDWHPLHG-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
C=CCC[C@@H](C)NCC(C)(C)CC	232989872	MWAASIOBLYMXDE-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
CC[C@@H]1CCCCC1=NOC(C)C	835003556	VKQWLXXYELYTBA-SNVBAGLBSA-N	183.295	3.368	30	20	AGED	
C=C(C)CON=C1CCC[C@@H]1CCF	844620307	SORHTPFJZFWFJQ-SNVBAGLBSA-N	199.269	3.095	30	20	AGED	
C=CCNc1ccc2ccccc2c1	50521847	PJIVLVDLQZQTEH-UHFFFAOYSA-N	183.254	3.438	30	20	AGED	
CC(C)(C=O)C[C@H]1CCCC1(F)F	306272308	WSRHTMJXSYFQMD-MRVPVSSYSA-N	190.233	3.037	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CCCC[C@H]1C	307558289	DDWYVCMLUMSVGK-TUAOUCFPSA-N	182.307	3.428	30	20	AGED	
C=C(C)CCN1CC[C@H](C)C[C@H](C)C1	681406933	FYRWGMANSFHLEG-STQMWFEESA-N	195.350	3.321	30	20	AGED	
CC(C)=CCC[C@@H](C)[C@H](C)C=O	34402398	RQJWDOKNRPUUJN-GHMZBOCLSA-N	168.280	3.204	30	20	AGED	in-vitro
CCCCOc1ccc(C#N)c(C)c1	88124883	XXRGUCAVWUHBHC-UHFFFAOYSA-N	189.258	3.046	30	20	AGED	
C=CCC[C@H](C)Nc1ccccc1	96033078	GLRQGOUGXSVLMO-NSHDSACASA-N	175.275	3.453	30	20	AGED	
CC(C)Sc1cccc(C#N)c1	227599593	OQKJDOCIKWDZSN-UHFFFAOYSA-N	177.272	3.059	30	20	AGED	
CC(C)[C@@]1(C=O)CCCC[C@@H]1C	306387083	YSVYBWFSXRFQFN-QWRGUYRKSA-N	168.280	3.038	30	20	AGED	
CCON=C(C)CCCC(C)C	388445653	VNCJFKUTLZSKQP-UHFFFAOYSA-N	171.284	3.225	30	20	AGED	
C=CCON=C(CC)[C@@H](C)CCC	835015338	IMSVVXSSLPNIQW-JTQLQIEISA-N	183.295	3.391	30	20	AGED	
C=C/C=C/CCN(CC)CC(=C)C	877936470	VHHXWJCVMJAMQA-BQYQJAHWSA-N	179.307	3.017	30	20	AGED	
C=CCCCC[C@H](C)NCC(C)C	379388526	JNKJKQJTJWMBRE-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C=CCON=C(CC)c1cccs1	835015958	PVVMUOIUQCZQCJ-UHFFFAOYSA-N	195.287	3.065	30	20	AGED	
N#CC1(CSCC2CC2)CCCC1	917754908	SITZPQFJVSUWNM-UHFFFAOYSA-N	195.331	3.214	30	20	AGED	
CC(=O)/C=C/c1ccc(Cl)c(F)c1	70586480	FUOORLXSQLORHR-NSCUHMNNSA-N	198.624	3.081	30	20	AGED	
CC(C)[C@H](C)SCCCCC#N	224964218	ZRAKDTKJZUCSBT-JTQLQIEISA-N	185.336	3.458	30	20	AGED	
CCCCC=NOC1CCCC1	388442025	SWLLJUWKRNRZHD-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C=CCCCC[C@@H](C)N[C@@H](C)CF	648589126	SBORIJINOXILDU-MNOVXSKESA-N	187.302	3.069	30	20	AGED	
C=C(C)CN(C)[C@@H](C)c1cccs1	680941181	XYKHOGLQIVNSPY-JTQLQIEISA-N	195.331	3.317	30	20	AGED	
C#Cc1cccc(N(C)CC=C(C)C)c1	728574351	ZEWJYALSURQDPA-UHFFFAOYSA-N	199.297	3.070	30	20	AGED	
C#CCCOc1ccc(C)cc1Cl	82494171	NSHGFSTTYIDNPN-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
C=C(C)CN[C@H]1CCCCC1(C)C	86875049	MZFMNWHQJFOOJC-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C#CCCCCCCCCCCN	113192161	GPHIKNITHYFHQH-UHFFFAOYSA-N	181.323	3.089	30	20	AGED	
C=CCOc1c(F)cccc1Cl	306881729	MLRVXIHVTVMLCO-UHFFFAOYSA-N	186.613	3.044	30	20	AGED	
CC[C@H](C)C(C)=NOC(C)(C)C	308063716	XPFVKXTZDBZNRP-QMMMGPOBSA-N	171.284	3.224	30	20	AGED	
C=CCCCN1CCCCCCC1	308330368	KFAGMAJNGUEKGP-UHFFFAOYSA-N	181.323	3.219	30	20	AGED	
CCC(C)(C)CCN(C)[C@H](C)CC#N	610728956	ZOVIEFKKAUFYJP-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
CCC[C@H](C=NOC)c1ccccc1	769569939	MNDFMXNPQZEEJA-GFCCVEGCSA-N	191.274	3.203	30	20	AGED	
CCCCCC(C)=NOC(C)C	835004483	PNCAECGDFYLJLS-UHFFFAOYSA-N	171.284	3.368	30	20	AGED	
C=C(C)CN[C@@H](CC)c1ccccc1	51753682	BROXBRRMDRNDCI-ZDUSSCGKSA-N	189.302	3.303	30	20	AGED	
C=C(CC)CN[C@H](C)C1CCCC1	85058672	RAPSEXVHOLEXGH-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCCN[C@H]1CCCC(C)(C)C1	149812470	DMRUDSABOFUYTE-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CC#CCCOc1ccc(Cl)cc1	157745884	MZQRMJNLROXEAW-UHFFFAOYSA-N	194.661	3.132	30	20	AGED	
CC1(C)CCCC1=NOC1CCC1	379406147	VRMNICLSVVTKNY-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=C[C@H](C)ON=CC(C(C)C)C(C)C	844625007	KMYUTEAKUHFBLY-NSHDSACASA-N	197.322	3.492	30	20	AGED	
C=C(C)CCN[C@H](C)CCCC	168980671	APFVZBUAVJNMTA-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
C[C@H]1CCCC(=NOC(C)(C)C)C1	308308132	PKLFGJSMVSAUJA-VIFPVBQESA-N	183.295	3.368	30	20	AGED	
CCON=C[C@H]1CCCC(C)(C)C1	388325794	ZKRQQOYQODXJAQ-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C[C@H](C=NOCCC1CC1)C(C)(C)C	814246583	SVIAJAFPKBBKFK-SNVBAGLBSA-N	197.322	3.471	30	20	AGED	
C=C(CC)CN[C@@H](C)C1CCCC1	85058668	RAPSEXVHOLEXGH-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C#Cc1cccc(N[C@H](C)CC2CC2)c1	132381238	WCUWGPWWTKHQDX-LLVKDONJSA-N	199.297	3.268	30	20	AGED	
C#CCCCNC1CCCCCCC1	160878593	JSGUOKFBMYTZGC-UHFFFAOYSA-N	193.334	3.102	30	20	AGED	
C=CCC1(NC/C=C/Cl)CCCC1	690753645	FFEASGCXVCCBOY-WEVVVXLNSA-N	199.725	3.217	30	20	AGED	
C[C@H]1CCCCC1=NNC1CCCC1	727652603	TTYFZOJBJLGIAA-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C=CCON=C(C)C1CCCCC1	835012584	VKLGUESXDNKRHG-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CCCNc1ccc(OCC)cc1	70591244	PBLDWKJDQVIHQE-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=C(C)CNC1CCC(C(C)C)CC1	160315736	XHAWNCXLFISVPD-UHFFFAOYSA-N	195.350	3.367	30	20	AGED	
C[C@@H]1CC[C@](C=O)(C[Si](C)(C)C)C1	306411892	PJPFTIUGAPPULS-MNOVXSKESA-N	198.382	3.330	30	20	AGED	
CCS[C@H](C)c1cccc(C#N)c1	307666234	MQMDTBYGRVYLEZ-SECBINFHSA-N	191.299	3.372	30	20	AGED	
C=C(CC)CN(C(C)C)C1CCC1	308200622	UULGBNIAVXEGIJ-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C=CCCCN1[C@@H](C)CCC[C@H]1C	308314367	UHPJIYIKWFDKHW-TXEJJXNPSA-N	181.323	3.216	30	20	AGED	
C=CCCOc1cccc2ncccc12	607148614	SOQZZMPYSIIVNC-UHFFFAOYSA-N	199.253	3.190	30	20	AGED	
C=CCCCNC1(CC(C)C)CC1	662068483	CZEHUAYBVGDSHF-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
CC(C)C[C@H](C)C=NOCCC1CC1	814246487	OUTLZDSQORTIGB-NSHDSACASA-N	197.322	3.471	30	20	AGED	
CC[C@H](C#N)Sc1cccc(C)c1	43557704	XPWQSLAUPITGRZ-SNVBAGLBSA-N	191.299	3.389	30	20	AGED	
C=CCCOc1cccc(C)c1C	226149788	QDWPBJLQPXFWTO-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
C=C(Cl)CN(C)[C@H](C)c1ccco1	379386495	XVEWFVFPCFYGNH-SECBINFHSA-N	199.681	3.025	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1cc(C)c(C)o1	379668572	ZWJGFQFDKXGOMY-UWVGGRQHSA-N	193.290	3.122	30	20	AGED	
C=C(CC)CN(C)[C@@H]1CCC(C)(C)C1	684625301	NWJPGDFYKGFAMX-GFCCVEGCSA-N	195.350	3.463	30	20	AGED	
C=C(C)C(C)(C)C(=O)OC1CCCC1	819960041	RDQZRWAIVGRBQK-UHFFFAOYSA-N	196.290	3.075	30	20	AGED	
CC(C)[C@@H](C)Nc1cccc(C#N)c1	19922173	WMGUMOZUBHMEIL-SNVBAGLBSA-N	188.274	3.015	30	20	AGED	
C=C(C)CCOC(=O)CCCCC	33951651	PFKCNOUVNPEGIF-UHFFFAOYSA-N	184.279	3.076	30	20	AGED	
C=CCCCC[C@H](C)NCCC	70744011	KUZBTDJBJJKGOW-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCCC1(C)CC1	308646431	HVEHBEGLLFJJRL-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN(C)[C@@H](C)C1(C)CC1	388731064	VKCHNNYQFXMKLW-NSHDSACASA-N	181.323	3.073	30	20	AGED	
CCC(C)=NNc1ccc(F)cc1C	750946030	MRCDWEZRQGRYRH-UHFFFAOYSA-N	194.253	3.332	30	20	AGED	
CC(C)C[C@@H](C)C=NNC1CCCC1	799112638	UKQOXIUXZUPKDQ-LLVKDONJSA-N	196.338	3.187	30	20	AGED	
C=CCCNC1CCC(C)(C)CC1	70655325	FJKAPKWTLYHZGV-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CCCCC(=O)O[C@H](C)CCC	308309803	QOXUFBOGHHALHK-SNVBAGLBSA-N	184.279	3.075	30	20	AGED	
C[C@@H]1CCCCC1=NOC(C)(C)C	379382502	IZEOJXKUEZQDTH-SECBINFHSA-N	183.295	3.368	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCC1CC=CC1	624076112	HUXDQMBRXBHZJQ-RYUDHWBXSA-N	193.334	3.143	30	20	AGED	
C=CCCN[C@@H](CCC)C1CCC1	322819952	GROCKCDTRKASKQ-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
Cc1cn(CCCC(C)C)cc1C#N	617757538	PWOIKJRQGMULIC-UHFFFAOYSA-N	190.290	3.104	30	20	AGED	
C=CCCCCCN1C[C@H](C)[C@@H](C)C1	683783291	RYDMXHDJFOGAMU-STQMWFEESA-N	195.350	3.321	30	20	AGED	
C#C[C@H](CC)N[C@@H](C)CCCCC=C	824363386	CTYXGQCZWPQIGN-QWHCGFSZSA-N	193.334	3.123	30	20	AGED	
C#CCCCCN[C@@H](C)C(C)(C)CC	834680764	IVIFAYKICXHEMA-LBPRGKRZSA-N	195.350	3.204	30	20	AGED	
CC(C)Sc1ccc(C#N)cc1F	37685556	NKXNXKUOEHEMPK-UHFFFAOYSA-N	195.262	3.198	30	20	AGED	
C=C(C)CCNc1cccc(Cl)n1	306859005	CQNCHCDICGZSPF-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=C(C)CCNC1CCC2(CC1)CC2	648727824	YZEQDPARSOUJFF-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
CCCC(C)=NN1CCCC[C@@H]1C	853381019	VHLPVDUEUQBXII-NSHDSACASA-N	182.311	3.037	30	20	AGED	
CCCSc1ccc(C#N)cc1F	36886982	USRSKWXNWDKLCG-UHFFFAOYSA-N	195.262	3.199	30	20	AGED	
CCCC[C@H](CC)N[C@@H](CC)CC#N	68987648	KPNJCELVJPIEGH-RYUDHWBXSA-N	196.338	3.237	30	20	AGED	
C=C(C)c1ccc([C@H](O)C2CC2)cc1	204367572	MRNKTGALSRCYDX-ZDUSSCGKSA-N	188.270	3.163	30	20	AGED	
C=C(CC)CN[C@@H](C1CCC1)C1CC1	324966766	MFMPTBAYGRSWNZ-ZDUSSCGKSA-N	193.334	3.121	30	20	AGED	
N#C[C@H]1CC[C@H](SC2CCCC2)C1	336196400	HTBAUQNOKBYQCL-ONGXEEELSA-N	195.331	3.354	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@]1(C)CC1(C)C	658308386	PHOYREHEJNFJEV-GMXVVIOVSA-N	195.350	3.365	30	20	AGED	
C=C(CC)CN[C@H]1CCC[C@H](C)C1	85057361	LHEQEGYZZVGHNM-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CSc1cccc(O)c1	126987117	WWVGKQPIKOOWPR-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C=C(Cl)CN(CC)C[C@H](C)CC	307946564	JVYAMLZGGRGEBV-SECBINFHSA-N	189.730	3.107	30	20	AGED	
C=CCCCCOC(=O)/C=C/C=C\C	811010819	YBQIAKCPPROGKU-YUFRWXHNSA-N	194.274	3.018	30	20	AGED	
CCC(=NOC1CCCC1)[C@H]1C[C@@H]1C	841632314	VIKCCSYZNQDPMW-ONGXEEELSA-N	195.306	3.368	30	20	AGED	
CCCC[C@H](CC)CN(C)CCC#N	43455088	RZDNFYAEAQDVAP-LBPRGKRZSA-N	196.338	3.048	30	20	AGED	
C=C(C)CC[C@@]1(C)CCC[C@]1(C)O	306301688	LOFGSMYVRKXVJD-NEPJUHHUSA-N	182.307	3.284	30	20	AGED	
C=C(C)CSCc1cccnc1C	308273653	UGOQZCHKIRGMFM-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=C(C)CCN[C@H]1CCC[C@H]1CC	379397502	OJCVFCQMSJWZJD-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN[C@@H]1CC[C@H]1C1CCC1	648840285	RYZWIYIYSPQPQQ-QWHCGFSZSA-N	193.334	3.121	30	20	AGED	
C=C(C)CN(C)C[C@@H]1CCCC[C@@H]1C	680335220	SHCAPJKULOEYKM-STQMWFEESA-N	195.350	3.321	30	20	AGED	
C=C(CC)COC(=O)CC[C@@H](C)CC	803881684	XFLKWKVOIZOYQH-JTQLQIEISA-N	198.306	3.322	30	20	AGED	
C[C@@H]1CCC(=NOCC2CC2)C[C@H]1C	814244306	MVTDDBMTSMQNJA-NXEZZACHSA-N	195.306	3.225	30	20	AGED	
C=C(C)COC(=O)CC1CCCCC1	916588223	NVMISKRFZWSMLW-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)[C@@H]1C[C@@H]1C	321922477	RGLVZWRGFRPDTL-QJPTWQEYSA-N	195.350	3.223	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCCC[C@@H]1C	385073738	XAYYFDSBEAKKDB-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
CC(C)CNN=C1C[C@@H](C)C[C@@H](C)C1	771557877	QHNSDFAFDVIEOJ-PHIMTYICSA-N	196.338	3.044	30	20	AGED	
C=CCON=CCCCCCC	835013838	ZBJDAZGZJJIELS-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
C=CCOCCS[C@H](C)CCC	842186322	VVMVNWAECISRAW-SNVBAGLBSA-N	188.336	3.111	30	20	AGED	
N#Cc1ccc(N[C@@H]2CC=CCC2)cc1	80120499	LTSNVYALCMKDMA-GFCCVEGCSA-N	198.269	3.079	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@H](C)[C@@H]1C	85057188	BEUFXAJKBGPJSH-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](C)NC[C@H]1CC=CCC1	126795099	DGQBSMJZCMJUMV-OLZOCXBDSA-N	193.334	3.287	30	20	AGED	
C=C(Cl)CN(C)[C@@H](C)CCCC	308029805	ILRCXRMJFBBWSM-JTQLQIEISA-N	189.730	3.249	30	20	AGED	
N#CCCCCSCC1CCC1	308096428	YVZWHEGENKHYEZ-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCC[C@@H]1CC	385083125	ZHEZQWNCPJGCAT-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=C[C@@H]1CCCCN1CCCCC	388274834	IORQMMVYGXWHKY-GFCCVEGCSA-N	181.323	3.217	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC1(C2CC2)CC1	389330365	UVICSMJGMCZCHT-WDEREUQCSA-N	193.334	3.119	30	20	AGED	
C=C(C)CN1CCC[C@@H]1C1CCCC1	615352963	MBAILYQSVGYXKG-CYBMUJFWSA-N	193.334	3.217	30	20	AGED	
CCON=C(C)[C@@H](C)c1ccccc1	746369649	ZCZQTMMJHSCCMN-SNVBAGLBSA-N	191.274	3.203	30	20	AGED	
C=C(C)CCNc1ccccc1C	168951786	VNTFRYYIGIBJPL-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C[C@H](S)[C@@H]1CC2CCC1CC2	307573556	BXNXAWPYZPMTPO-NFTFJBJSSA-N	170.321	3.131	30	20	AGED	
CC[C@H](C)C(C)=NOC[C@H](C)CC	379359583	ZCCQESYCLVXZQG-ZJUUUORDSA-N	185.311	3.471	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@@H]1CCC1(C)C	379652830	HGNRBVLDHQNHCW-SDDRHHMPSA-N	195.350	3.365	30	20	AGED	
C=C(CC)CN(CC)[C@H](C)CC	661107469	MNVQZBIDYWOHOK-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
CC(C)CNN=C1CCC[C@@H](C)[C@H]1C	781124285	CUNRVZOVAZJHOI-GHMZBOCLSA-N	196.338	3.044	30	20	AGED	
CC1(C)CCCC1=NOCCC1CC1	814245860	KTTOXHGQCAEGGB-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=CCON=C1CCCC[C@H]1CC	835013704	WSQJCVRSMYZRDC-SNVBAGLBSA-N	181.279	3.145	30	20	AGED	
C=C[C@H](C)ON=C1CCCC12CCC2	844621305	YFGOPNIJCRISNH-JTQLQIEISA-N	193.290	3.288	30	20	AGED	
C=CCCCN(CCC)CCC	200685633	KIEDOTRPRCKJJX-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
N#Cc1ccccc1SC1CCC1	258203040	YNIOIFPGTAEATM-UHFFFAOYSA-N	189.283	3.203	30	20	AGED	
CCCC[C@H]1CCCC1=NOCC	308233494	PYHJOKCIRCFHNS-JTQLQIEISA-N	183.295	3.369	30	20	AGED	
C=CCCN1CCC[C@H]1C(C)(C)C	308283980	YCSCYZYQEYDRED-NSHDSACASA-N	181.323	3.073	30	20	AGED	
CCCCCC(C)=NN[C@H](C)CC	308381236	UUNIQVGPVMFMKP-SNVBAGLBSA-N	184.327	3.331	30	20	AGED	
C=CC[C@H](C)NC1CCC2(CC1)CC2	308567556	IOJMDGKTBXLIPB-NSHDSACASA-N	193.334	3.263	30	20	AGED	
C=C(C)CNC[C@H]1C(C)=CCC[C@@H]1C	308653938	MSTHWFFYFHQMLE-STQMWFEESA-N	193.334	3.145	30	20	AGED	
C=CCCCN(CC)CC(C)(C)C	388353976	PPPPSTQTUXHCBV-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC/C=C\CC	648716719	MJCSNANIACBOST-XPOJSHTGSA-N	181.323	3.143	30	20	AGED	
CCCNN=C1CCC(C)(C)C[C@H]1C	748251142	RJPBYIKVKKUWPR-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C#Cc1cccc(NCC(C)(C)C)c1	41051064	DCXFEJGVJLOPMZ-UHFFFAOYSA-N	187.286	3.126	30	20	AGED	
C=C(C)CN[C@@H]1CCCC[C@@H]1CC	51753474	AVUCIUVVQVYMLE-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C/C=C/CC1(C=O)CCCCC1	135698156	FLMHFVQQMIJLRX-NSCUHMNNSA-N	166.264	3.102	30	20	AGED	
C=CCCCN[C@@H]1CC[C@@H](C)C[C@@H]1C	227141789	LEGHYBOAHJTCBK-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
CC1CCC(C2(C=O)CCC2)CC1	306318939	ALBNLSZDPVWVQC-UHFFFAOYSA-N	180.291	3.182	30	20	AGED	
C[C@H]1CCC(=NOCC2CC2)[C@@H](C)C1	814243708	KKOBVBGLMSEIIP-UWVGGRQHSA-N	195.306	3.225	30	20	AGED	
C=C[C@H](C)ON=C(C)CCC(C)C	844623349	MJTGQSGKPFCUAF-NSHDSACASA-N	183.295	3.390	30	20	AGED	
C=C(C)CCSCc1ccco1	201445523	VEDJPVNYZPIKLS-UHFFFAOYSA-N	182.288	3.479	30	20	AGED	
CC[C@H](C)CS[C@H](C#N)CC	232040724	XLQOBSNTBMWCDH-IUCAKERBSA-N	171.309	3.068	30	20	AGED	
C=C(Cl)CN1C2CCCC1CCC2	306780568	IYVMZFUGWXIUIW-UHFFFAOYSA-N	199.725	3.146	30	20	AGED	
CCC(CC)SCC1(C#N)CC1	388519691	WONXMBDKYWWNOC-UHFFFAOYSA-N	183.320	3.212	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NC1(CC)CC1	651396592	PDGPANZPXXMOMT-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C=CCC[C@H](NCC(=C)CC)C1CC1	651473192	OSVRWDCNLCZRIW-ZDUSSCGKSA-N	193.334	3.287	30	20	AGED	
N#CCCCSc1ccccc1F	19847577	NRBHXLLWFPPTON-UHFFFAOYSA-N	195.262	3.222	30	20	AGED	
C=CC(C)(C)B1OC(C)(C)C(C)(C)O1	196569585	XVADSYDGXCFJPJ-UHFFFAOYSA-N	196.099	3.045	30	20	AGED	
C=CCC[C@H](C)NCC1(C(C)C)CC1	230668228	JWYKEIPBQSIZJI-LBPRGKRZSA-N	195.350	3.367	30	20	AGED	
CCCC[C@@H](C)[C@H](C)NCCCC#N	308566264	ATOGGHJYNWWTPH-NEPJUHHUSA-N	196.338	3.095	30	20	AGED	
C=CCC1(CNCC2CC2)CCCC1	648788875	VFDTXFKFZPQREE-UHFFFAOYSA-N	193.334	3.123	30	20	AGED	
CC#CCN(CC(C)C)C(CC)CC	674007843	PQHMCVZYKFAKQX-UHFFFAOYSA-N	195.350	3.156	30	20	AGED	
C=C(C)CCOC(=O)CCC(C)(C)C	744300357	WTZJNNOJWJZEFX-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C(C)COC(=O)C(CC)(CC)CC	761058021	ZIUBTBHRQAJYHC-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C(C)COC(=O)[C@@](C)(CC)CCC	796335572	LCMKFRQZCCMADG-LBPRGKRZSA-N	198.306	3.322	30	20	AGED	
C=CCCSCc1cccnc1C	379358269	UVVOUHVVOFUJAX-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=C(C)CNC[C@H]1CCC[C@H](CC)C1	379593266	BLKMNMJFZMVFJE-STQMWFEESA-N	195.350	3.369	30	20	AGED	
C=CC[C@H](CC)NC(=O)CCCCC	684939782	VYTGVORIATZUTL-NSHDSACASA-N	197.322	3.038	30	20	AGED	
C=C(C)CON=C[C@H]1CC[C@H](C)C1	844619808	MABOYBIWOBESKX-QWRGUYRKSA-N	181.279	3.001	30	20	AGED	
C=C[C@H](C)ON=C[C@@H]1CCCC[C@H]1C	844622407	YUEZEGRQWLAKFJ-WOPDTQHZSA-N	195.306	3.390	30	20	AGED	
C=CC[C@@H](N)c1cc(F)ccc1Cl	95665639	RSXIOALPSYUFAD-SNVBAGLBSA-N	199.656	3.055	30	20	AGED	
C=CC[C@@H](C)N[C@@H](CC)C1CCC1	322854366	QVZNJAAUMJZRRU-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
CC[C@@H](C)C[C@@H](CC)NCCCC#N	389275853	OOUUUZMCPWIVDV-VXGBXAGGSA-N	196.338	3.095	30	20	AGED	
C=CCCCN1[C@H]2CC[C@H]1CC(C)C2	662131670	SLAFJVXFEFMQSN-STQMWFEESA-N	193.334	3.216	30	20	AGED	
CCC(=NNc1ccccc1)C1CC1	741160026	RARAPNKOMLVKPQ-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
C=CCCCCOC(=O)[C@@H](C)C(C)C	811012049	VOJLBIJHQOMVRQ-NSHDSACASA-N	198.306	3.178	30	20	AGED	
C[C@H]1CCC(=NOC2CCC2)C[C@@H]1C	812236444	MGWBZWCLHFXYSB-UWVGGRQHSA-N	195.306	3.368	30	20	AGED	
C=CCCCCCCNCC(C)C	70743628	XMCGPLOWYZDFAB-UHFFFAOYSA-N	183.339	3.369	30	20	AGED	
CC(C)[C@H](C)[C@@]1(C=O)CCC[C@@H]1C	306377251	NVPMYPXYIWIBFH-SDDRHHMPSA-N	182.307	3.284	30	20	AGED	
Cl/C=C\CON=C1CC2(CCC2)C1	308197618	URURHLWJJQKRBJ-DJWKRKHSSA-N	199.681	3.076	30	20	AGED	
C=CCC[C@@H](CC)NC1(C2CC2)CC1	308699247	VTEAPVSQAOHCEI-GFCCVEGCSA-N	193.334	3.263	30	20	AGED	
C=CCC[C@@H](C)NCCC1(C)CC1	388892483	LOZXBOXRJJSGGN-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN1CCC[C@@H](C(C)(C)C)C1	684627785	JJQRQOUUIWKDEZ-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
CC[C@@H](C)CON=C1C[C@H]2CC[C@H]1C2	814939752	ZASQJUGKWKIMPS-VWYCJHECSA-N	195.306	3.225	30	20	AGED	
CCCCCC[C@@H](C)NCCCC#N	42222738	LWTQNOJKBFLFLT-GFCCVEGCSA-N	196.338	3.239	30	20	AGED	
C=CCCCNc1cc(F)cc(F)c1	70591436	HVPLPEQJTBKTIC-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C[C@@H](C)NCc1cccc(Cl)c1	130500527	KDIYLLOQDQATJV-SECBINFHSA-N	195.693	3.004	30	20	AGED	
C=C[C@@H](C)NC1CCC(C(C)C)CC1	157287637	DEMVSFNQBDQYAX-PNESKVBLSA-N	195.350	3.365	30	20	AGED	
C=CCCCN1C[C@H](C)C[C@@H]1CC	308376512	SKNOUSRCZRBBQA-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
CCC(=NNC(CC)CC)[C@H]1C[C@H]1C	841625725	JVWAZFAPORNURU-KOLCDFICSA-N	196.338	3.187	30	20	AGED	
C=C(C)CON=C1CCC[C@H]1CCF	844620306	SORHTPFJZFWFJQ-JTQLQIEISA-N	199.269	3.095	30	20	AGED	
CCC(CC)(CC)CS	148604038	WXQIBGNDUUGJQH-UHFFFAOYSA-N	146.299	3.133	30	20	AGED	
C=CCCCN1CCC[C@@H]2CCC[C@H]21	608498523	QTGPFVLZAVXGRM-QWHCGFSZSA-N	193.334	3.217	30	20	AGED	
C=C(C)CCN(CC1CC1)C1CCC1	684629007	WDWVUPYYSAVQFX-UHFFFAOYSA-N	193.334	3.217	30	20	AGED	
CC[C@H](C)NN=C1CCC2(CC1)CC2	792640334	BQQRGZLDKSJTBH-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
CON=C1CCC(=C2CCC2)CC1	853289913	UOKXVEPNLNSQHY-UHFFFAOYSA-N	179.263	3.043	30	20	AGED	
C=C1CC(c2noc([C@@H](C)CC)n2)C1	896885418	XWHQLZBAMHDAFT-QMMMGPOBSA-N	192.262	3.017	30	20	AGED	
C=CC[C@H](C)NCC1CCCCC1	159271774	DMMFAEXLZCPDLS-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CC[C@H](C)CON=C(C)C1CCC1	379357267	QZDSFHQAAVSABB-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
C=C(C)c1cc(C)c(C#N)c(C)c1	592989536	RVGDMJWGMSBFOO-UHFFFAOYSA-N	171.243	3.208	30	20	AGED	
C=CCCc1nc([C@@H](C)CCC)no1	761847947	IOJQBMRFSTXCKM-VIFPVBQESA-N	194.278	3.092	30	20	AGED	
CCC(CC)CN(CCC#N)C(C)C	148681378	KZKVIJMHGPMCLQ-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
CCC(CC)NCC(C)(C)CCC#N	229667509	ZRULTPBMMOGXTK-UHFFFAOYSA-N	196.338	3.095	30	20	AGED	
CC(C)[C@H]1CCC[C@H](S)C1	231006296	QPZKBFKNTOOXQX-IUCAKERBSA-N	158.310	3.131	30	20	AGED	
C=CCN1CCC[C@@H]1c1ccsc1	307045164	UXOKDXJDFVFUSW-LLVKDONJSA-N	193.315	3.071	30	20	AGED	
C=CC[C@@H](C)NCc1ccsc1C	308209657	VVGFIXLZGLUJIT-SECBINFHSA-N	195.331	3.111	30	20	AGED	
C=CCN(CCCC1CCC1)C1CC1	660171555	VWWROLOZPLEXFN-UHFFFAOYSA-N	193.334	3.217	30	20	AGED	
C=C[C@H]1CCCCN1[C@H]1C=CCCC1	683793036	NEDSBXWRLVQHJV-STQMWFEESA-N	191.318	3.136	30	20	AGED	
C1CC(ON=C2CCCC23CCC3)C1	834979989	TYLMKYDZGWOBJZ-UHFFFAOYSA-N	193.290	3.266	30	20	AGED	
C=CCON=C1CCC[C@H]1CCCF	835013297	PUPGDYLONWJLRC-JTQLQIEISA-N	199.269	3.095	30	20	AGED	
CCCOc1ccc(C#N)c(Cl)c1	61855477	XIGVCYCFZZAXIQ-UHFFFAOYSA-N	195.649	3.000	30	20	AGED	
C=C(C)CCN(C)[C@@H](C)CCC	307995324	VZJDXEBXEPRHOD-NSHDSACASA-N	169.312	3.073	30	20	AGED	
C=CCC[C@H](C)NCCC=C(C)C	379380482	DWFQPALKTJGNTA-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C#C[C@H](N[C@H](C)CCCC)C(C)(C)C	389365111	UPNPARXCXRCODJ-NEPJUHHUSA-N	195.350	3.203	30	20	AGED	
C=CCN(C)[C@@H](C)c1cccc(C)c1	681695676	JSJIWPUFYWYOQX-LBPRGKRZSA-N	189.302	3.174	30	20	AGED	
C=CCCCCCN1CCC[C@@H](C)C1	683779229	KPZWMVGFZWEDCL-CYBMUJFWSA-N	195.350	3.465	30	20	AGED	
CC(=NNCCC(C)(C)C)C1CCC1	782903040	NGXBWVSTROTPAR-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
S[C@@H](c1cccs1)C1CC1	42330435	FBOXYNUCGKNNOE-MRVPVSSYSA-N	170.302	3.129	30	20	AGED	
CCC(C=NOC/C=C/Cl)CC	307975722	KRHLBEQKZSZDTP-YGESFXSPSA-N	189.686	3.178	30	20	AGED	
CC(C)CNN=CC(C(C)C)C(C)C	1321599010	PNEIKFTVSWHQTP-UHFFFAOYSA-N	198.354	3.146	30	20	AGED	
CC[C@@H](C#N)Nc1cccc(C)c1C	43539386	XEMUFHMKVWQFNC-NSHDSACASA-N	188.274	3.018	30	20	AGED	
CC#CCNc1ccc2ccccc2c1	51663193	QEJCOZXVAZXOBE-UHFFFAOYSA-N	195.265	3.275	30	20	AGED	
CC(C)CON=C1CCC[C@@H](C)C1	308152182	OZBJCEZLJVXQSL-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=C(C)CSC/C(C)=C\Cl	387873952	LGUPFWLJGXLJHZ-YWEYNIOJSA-N	176.712	3.438	30	20	AGED	
C=CCCN(C)CCCC1CCC1	660399301	KAEFPSJWXOMACD-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CCCNN=C1C[C@H](C)CC[C@H]1CC	797401236	ABUAJRJLLWKEJE-GHMZBOCLSA-N	196.338	3.188	30	20	AGED	
C=CCON=C(C)[C@@H]1CCCC[C@H]1C	835014570	IYCUAXSFCGMFKO-ZYHUDNBSSA-N	195.306	3.391	30	20	AGED	
C=CCCNCCC1CCCCC1	70591719	MKMOIJBKTDNJAH-UHFFFAOYSA-N	181.323	3.123	30	20	AGED	
C=C(C)CN(C)C1CCC(C)CC1	307699705	PFXQSGZKLTXFIG-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCCCOC(=O)[C@H](C)[C@@H](C)CC	780243471	QSCQEXHABCMEFK-WDEREUQCSA-N	198.306	3.178	30	20	AGED	
CC[C@@H](C)CON=C1CC2(CCC2)C1	793158519	IJCIMHHJTOUBLK-SNVBAGLBSA-N	195.306	3.369	30	20	AGED	
CCCCNc1ccc(C#N)cc1C	37996192	ATEQCPVRAYGSTN-UHFFFAOYSA-N	188.274	3.079	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CC[C@@H]1CC	378860808	PRFBOHLNUAROBV-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C[C@@H](CC(C)(C)C)NCCCCC#N	395017603	OKAZXAMMHDKMKJ-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CCCCN1C[C@@H](C)CCC[C@H]1C	607742903	XUHFGFPQLFECSW-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=CCON=C1CCCC[C@@H]1CC=C	853355563	QPZFWHYZIAJWOX-NSHDSACASA-N	193.290	3.311	30	20	AGED	
CC[C@@H](CC#N)N[C@@H](C)CCC(C)C	54183207	QLSAQSHRPKEAEG-RYUDHWBXSA-N	196.338	3.093	30	20	AGED	
C=CCCN[C@H]1CCCC[C@@H]1CC	70591902	GDQDTALBZYXFDQ-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
CC(C)(C#N)CC1CCCC1	83775605	NNDSSHMFRDCZGU-UHFFFAOYSA-N	151.253	3.116	30	20	AGED	
C=C[C@@H](C)NC1CCC(CC)CC1	157231204	ZJLHOGRHZVEJMF-VOMCLLRMSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN(CC)Cc1ccccc1	205420706	XKGPLZSQXBNYRF-UHFFFAOYSA-N	189.302	3.085	30	20	AGED	
C=C(C)CSc1cccs1	306398265	XUUJKDYZLBGBLL-UHFFFAOYSA-N	170.302	3.416	30	20	AGED	
C=C(C)CN[C@H](CCC)C1CCC1	322766579	DXBWNWUEKVZXCR-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
N#CCCCSCCC1CCC1	596423433	WBHRKMMKZIZLBF-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CCCN1CC[C@@H]2CCCC[C@H]2C1	1329142249	QXYXUEJKJHIYPM-STQMWFEESA-N	193.334	3.075	30	20	AGED	
C=C(C)CNC1CCC(CC)CC1	51753476	PIFLJLGBQLKQSQ-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CCCNc1c(C)cccc1F	135094007	PRFLVTZNCFRJKC-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=C(C)CNc1cccc(F)c1Cl	306805718	ANQRGHISCJTILY-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
Cl/C=C\CON=C1CCCCC1	379328926	RSNCDCXMLCPFKS-DAXSKMNVSA-N	187.670	3.076	30	20	AGED	
N#Cc1ccccc1OCC1=CCCC1	401113901	LJVCUQIKNBSXMW-UHFFFAOYSA-N	199.253	3.047	30	20	AGED	
CC[C@@H](C)N(C)CC(C)(C)CCC#N	611254821	BKVRIZRWPHQBOQ-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
C=CCN(CCC1CC1)C(C)(C)C	661756828	WHYKAZCJJONRCP-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
CC(C)CON=C1CC[C@H](C)C[C@H]1C	783857190	WJHAHKWGTPJRFK-WDEREUQCSA-N	197.322	3.471	30	20	AGED	
CCCCCCC=NOCCC	842554417	PUPXLVQVWMAZEC-UHFFFAOYSA-N	171.284	3.369	30	20	AGED	
C=C(CC)CN[C@H](C)c1ccccc1	85056855	HEAINVWWMDDFOR-GFCCVEGCSA-N	189.302	3.303	30	20	AGED	
C=C(C)COc1ccccc1OCC	144479187	NPCBRNOSUITOEG-UHFFFAOYSA-N	192.258	3.040	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1sccc1C	157248334	NMNFCAAEKPSCTQ-VHSXEESVSA-N	195.331	3.282	30	20	AGED	
C=C(CC)CNc1ccnc(Cl)c1	306176447	NXKJIGMRDAOKQQ-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=C(C)CCN[C@@H]1[C@@H](C)CCC[C@H]1C	308648825	JFLWMKDTQUKUKT-ITGUQSILSA-N	195.350	3.367	30	20	AGED	
C=CCCC[C@@H](C)NC[C@@H](C)CC	379357130	QMWMFCMYIOPIFC-NWDGAFQWSA-N	183.339	3.367	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCCC(=C)C	648727239	PRMKUOVELDINLJ-VXGBXAGGSA-N	181.323	3.143	30	20	AGED	
CC[C@@H](C)NN=C1CC(C)(C)C[C@@H]1C	766028470	BKBBEAXMVNFWCM-VHSXEESVSA-N	196.338	3.187	30	20	AGED	
C1CC2(C1)CC(=NOCCC1CC1)C2	814247212	WQWXXFWFBBEIIC-UHFFFAOYSA-N	193.290	3.123	30	20	AGED	
CC(C)ON=C1CC[C@@H](C)C[C@H]1C	835003336	SFNCUWXVCOCAQM-NXEZZACHSA-N	183.295	3.224	30	20	AGED	
CCC(=NN[C@H](C)CC)[C@@H]1CC1(C)C	841636336	BKFUXOJDEZCLKV-ZJUUUORDSA-N	196.338	3.187	30	20	AGED	
C=CC[C@@H](C)NC1CC2(CCCC2)C1	925424821	BDPXOGLYMCILBY-LLVKDONJSA-N	193.334	3.263	30	20	AGED	
C[C@H](SCCC#N)c1cccs1	379312230	XKMCHCZAJISGKE-QMMMGPOBSA-N	197.328	3.456	30	20	AGED	
C[C@@H](CCC#N)CNc1ccccc1	602492060	LFAWEIHKGWRYPX-NSHDSACASA-N	188.274	3.038	30	20	AGED	
C=C(C)CCN[C@@H]1CCC12CCCC2	649960413	VFJASUUCDOCQOI-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
C=CCC[C@@H](CC)NC/C=C/Cl	898433371	NYGAVUHYSWDJJS-QEHWCHDUSA-N	187.714	3.073	30	20	AGED	
C#Cc1cccc(N[C@H](C)CCC=C)c1	131910102	JGIUWIDOZXKFNR-GFCCVEGCSA-N	199.297	3.435	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1ccccc1C	157265344	RIWNWFPKTZQGQR-NWDGAFQWSA-N	189.302	3.220	30	20	AGED	
C=C(Cl)CNC(CCC)CCC	161729282	JQFWJPBBAKOADI-UHFFFAOYSA-N	189.730	3.297	30	20	AGED	
C=C(C)CCNCc1ccc(C)s1	168979386	USCACHXWOYZNSB-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
C=CCC[C@H](C)NC1(C(C)C)CC1	382098603	FRCTXSMHCDNVSC-NSHDSACASA-N	181.323	3.119	30	20	AGED	
Cc1ccc(NN=C[C@@H]2C[C@@H]2C)cc1	758360611	XWCQOSQZIRPAKB-QWRGUYRKSA-N	188.274	3.049	30	20	AGED	
CC#CCCOc1ccccc1Cl	157745719	NNMOAWKJVRJNEG-UHFFFAOYSA-N	194.661	3.132	30	20	AGED	
C=CC[C@H](C)N[C@H]1CC(C)(C)C[C@H]1C	300061618	JNECSFAZHCDOQP-WOPDTQHZSA-N	195.350	3.365	30	20	AGED	
Cl/C=C/CON=C1CCCCC1	306430225	RSNCDCXMLCPFKS-QPJJXVBHSA-N	187.670	3.076	30	20	AGED	
C=CCCCNC[C@H](C)CC(C)C	308138381	JPSJUODZDOHRDF-GFCCVEGCSA-N	183.339	3.224	30	20	AGED	
C=CCCCC(=O)OCC/C=C\CC	231189273	LKAMWBVFZDHJBB-ALCCZGGFSA-N	196.290	3.242	30	20	AGED	
C=C(CC)CSc1nccs1	307636946	VLXQWYQYWIVTOH-UHFFFAOYSA-N	185.317	3.201	30	20	AGED	
C=C(CC)CN[C@H]1CC[C@H]1C1CCC1	648840286	RYZWIYIYSPQPQQ-STQMWFEESA-N	193.334	3.121	30	20	AGED	
C=CCCN1CCC[C@H]1[C@H](C)CCC	676041895	PLOOOMILSSPZMV-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
CC[C@@H](C)NN=C1CCC2(CC1)CC2	792640338	BQQRGZLDKSJTBH-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C/C=C\C(=O)NCCCCCCCC	81138447	PCARJCHPPCFCDG-WMZJFQQLSA-N	197.322	3.039	30	20	AGED	
CCON=C(CC)C[C@@H](C)CC	393340397	ZHKDXEJSSHUIBY-VIFPVBQESA-N	171.284	3.225	30	20	AGED	
C=CCCN[C@@H](C1CCCC1)C1CC1	658112928	BAVJZUPWHWMLRW-ZDUSSCGKSA-N	193.334	3.121	30	20	AGED	
Cc1cccc(NN=C[C@H]2C[C@H]2C)c1	758360690	YZZDUGACZNQQSD-GHMZBOCLSA-N	188.274	3.049	30	20	AGED	
CCCCCCNC[C@H](C)CCC#N	876887280	QPQZMNWCLUKTGL-GFCCVEGCSA-N	196.338	3.096	30	20	AGED	
C#CCCCCCCNCCCC=C	877489657	QAFNCSSTIKCFRW-UHFFFAOYSA-N	193.334	3.126	30	20	AGED	
C=CCCCN(C)[C@H](C)C(C)(C)C	308279105	WITVFIYICNXRPA-LLVKDONJSA-N	183.339	3.319	30	20	AGED	
CC[C@@H](C)CON=C1CC[C@H](C)C1	378872062	QDTUNUKMQXROMK-ZJUUUORDSA-N	183.295	3.225	30	20	AGED	
C=CCON=C(CC)c1ccsc1	835014726	KZMPICJXWIZVBE-UHFFFAOYSA-N	195.287	3.065	30	20	AGED	
CCCON=C[C@@H]1C(C)=CCC[C@H]1C	842554106	NMAMTTOUYYFTAP-VXGBXAGGSA-N	195.306	3.391	30	20	AGED	
C[C@H]1CCCC[C@@]1(C=O)CC(F)F	306262072	XXYRZZVKEXOIKK-WPRPVWTQSA-N	190.233	3.037	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)CCC1CC1	308258897	MKWPUKAQGGRJEM-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C#CCCCN[C@H](CCC)CCC=C	308633610	ADFJYQTZCOIAHT-CYBMUJFWSA-N	193.334	3.124	30	20	AGED	
C=CCCCCCN1CC[C@H]2C[C@@H]2C1	661968334	XKJGCFCATKTKBK-QWHCGFSZSA-N	193.334	3.075	30	20	AGED	
CC[C@H](C)NN=C1CC(C)(C)C[C@H]1C	766028474	BKBBEAXMVNFWCM-ZJUUUORDSA-N	196.338	3.187	30	20	AGED	
C=CCON=C(C)CCCCC	835015553	KMRFRTQMJZPXGG-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
CCON=C[C@@H](C)c1ccc(C)cc1	863077292	OGHOUMOZHDJFIB-LLVKDONJSA-N	191.274	3.121	30	20	AGED	
C=C(C)CCNC[C@@H](C)C(C)(C)C	169017600	CAZQBVSJLIDXFF-LLVKDONJSA-N	183.339	3.224	30	20	AGED	
C=CCc1ccc(C)c(F)c1F	222145860	YCRDENHTDDZMCO-UHFFFAOYSA-N	168.186	3.002	30	20	AGED	
C=CCNc1nc(C(C)(C)C)cs1	224766823	VAHNIIJXZSMDRN-UHFFFAOYSA-N	196.319	3.039	30	20	AGED	
C=CCNc1c(Cl)ccc(F)c1C	306592400	RCWGHRQZXSQHID-UHFFFAOYSA-N	199.656	3.385	30	20	AGED	
C=CC[C@@H](CC)N[C@H](C)C1CCC1	308300342	LLHJSHMTLQLCKR-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
CC#CCCSCCC=C(C)C	596419428	VMQICNPLLBABEX-UHFFFAOYSA-N	182.332	3.489	30	20	AGED	
CCON=Cc1ccc(Cl)cc1C	308191794	OOUYHEXBPWHOTJ-UHFFFAOYSA-N	197.665	3.019	30	20	AGED	
C=CCCCN(CCC(C)C)C1CC1	605149757	KCVLPTLRZNCSDS-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)C(C)(C)CC	651263612	KCVUBEMOGMVONQ-QWRGUYRKSA-N	183.339	3.365	30	20	AGED	
C=CC1CCN(CCCCCC)CC1	740877660	WCGOUISKEUVBSL-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC(CCC1CC1)=NOCCC1CC1	814245220	LLTALNGBLFJQLP-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=C(C)CON=C1CCC(C)CC1	844615449	SBIXCBOKKWBAFD-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
O=CC1(C2CCCC2)CCCCC1	84446454	AVGSJNWFVWGVDF-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=CCC[C@@H](C)NCC1(CC)CC1	230668119	VGVMDAADQXXTBU-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CC[C@@H](C)CS[C@@H](C#N)CC	232040716	XLQOBSNTBMWCDH-RKDXNWHRSA-N	171.309	3.068	30	20	AGED	
CC#CCCSC(CC)CC	307928260	SYKCVCVCITZPGF-UHFFFAOYSA-N	170.321	3.322	30	20	AGED	
C=CCCc1csc(C2CC2)n1	308121748	QTMFMZFSJQUKNZ-UHFFFAOYSA-N	179.288	3.139	30	20	AGED	
C=C(C)CCN[C@@H](C)CCC1CC1	398139342	INTCDNZJRRJVHQ-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCCCCCN1CCC=C(C)C1	684773990	OAGJXGVCROVXFE-UHFFFAOYSA-N	193.334	3.385	30	20	AGED	
C[C@@H](ON=C1CCC1)c1ccccc1	902713336	MJCJVGSBTAKRIM-SNVBAGLBSA-N	189.258	3.304	30	20	AGED	
C=C(C)c1ccccc1[C@@H](O)CC	197301949	SYODNCLJZNWZED-LBPRGKRZSA-N	176.259	3.163	30	20	AGED	
CCS[C@@H](C)c1ccc(C#N)cc1	307483722	AJCVOODEWLZFAF-VIFPVBQESA-N	191.299	3.372	30	20	AGED	
CC[C@@H](C)C(C)=NOC(C)(C)C	308063715	XPFVKXTZDBZNRP-MRVPVSSYSA-N	171.284	3.224	30	20	AGED	
C=CC[C@@H](CC)N[C@H](C)CC1CC1	308318062	WWBWUDRQGUMYKF-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN1CCC[C@@H]1CC(C)C	623436677	OHKREYNHIPOFCG-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=CCN(C)C[C@@H]1CCC[C@@H](CC)C1	681758366	VPPLEEFWTFRJCM-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
C=C(CC)CN(C)[C@H]1CCCC[C@H]1C	682031685	PTAIBAYPADJZLF-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
CCCCNN=C[C@H]1CCCC[C@@H]1C	783826926	INCMGZDTGRFWQR-NWDGAFQWSA-N	196.338	3.188	30	20	AGED	
CC[C@H](S)c1cccc(C)c1	306186047	IWFTUAJYYBHMQO-JTQLQIEISA-N	166.289	3.376	30	20	AGED	
C#CCCCSCCC(F)(F)F	308084228	MGMLTYXAYDKMEX-UHFFFAOYSA-N	196.237	3.085	30	20	AGED	
C=CCCCN(C)[C@@H](C)C(C)(C)C	308279108	WITVFIYICNXRPA-NSHDSACASA-N	183.339	3.319	30	20	AGED	
C=CC[C@H](CC)Nc1cc(C)ccn1	308617574	SEMGLMNOYQFMNL-NSHDSACASA-N	190.290	3.157	30	20	AGED	
C=CCCC[C@H](C)Nc1ccccn1	308644230	GPQZBUXMRHQIIM-NSHDSACASA-N	190.290	3.238	30	20	AGED	
C=C(C)CCN(CCC)CC1CC1	379371855	IMAOJHAXFJAZDV-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCN(C)Cc1sccc1C	388719503	SBBNFNWHHJTCKS-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
C=C(C)COC(=O)C[C@@H](CC)C(C)C	729764750	YCGFOEIMEVKOEN-LLVKDONJSA-N	198.306	3.178	30	20	AGED	
CC(=NNc1ccccc1)C1CCC1	747624246	LBSOQUCPOOXYPR-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
C=C(Cl)CNC[C@H](C)C(C)(C)C	162865101	RFYXNTNRSYQTOX-QMMMGPOBSA-N	189.730	3.011	30	20	AGED	
CC(C)(C)C#Cc1ccsc1	197935120	DYYVPPRSMSDFEJ-UHFFFAOYSA-N	164.273	3.146	30	20	AGED	
C=C(C)CN(C)Cc1ccccc1C	224553564	KKPLWPUVXBPPHT-UHFFFAOYSA-N	189.302	3.003	30	20	AGED	
C[C@@H]1CCC[C@@]1(C=O)C/C=C/Cl	307290622	ATPZYCRPJXDHJS-SSROEPPASA-N	186.682	3.134	30	20	AGED	
CCCON=Cc1ccc(Cl)cc1	308219079	KKQHGTVBCFWOJW-UHFFFAOYSA-N	197.665	3.101	30	20	AGED	
C=C(C)CN(C)CCCCCCC	381940360	VVXATSKTBIQRLH-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
C=CCSCc1ccc(Cl)nc1	388408904	VZDYKALEFCYCRE-UHFFFAOYSA-N	199.706	3.154	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@H]1CC	388601624	RYUVKQNZCSOYCM-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(C)CCN1CC[C@H](C)C(C)(C)C1	681412317	LMNWITJTXGKJMX-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
CCC(CC)CNN=C(C)CC1CC1	774477311	WBQQEDALULFLNI-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CCCCOC(=O)[C@@H](C)[C@H](C)CC	780243468	QSCQEXHABCMEFK-MNOVXSKESA-N	198.306	3.178	30	20	AGED	
C#CCCNc1ccccc1C(F)F	819079260	SVQYDBWUSMEJFC-UHFFFAOYSA-N	195.212	3.059	30	20	AGED	
C#CCCCCCCN[C@H](C)CC=C	877036560	QTCSFKGSWWZNCT-CYBMUJFWSA-N	193.334	3.124	30	20	AGED	
C=CCCCN(CC)C(C)(C)C	1324732047	WTFCQKPZQKKXGI-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=CCCN[C@H]1CCCCC[C@@H]1C	83949114	SHCZYFNOCLIROL-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C/C=C/CC1(C=O)CCC(C)CC1	306185828	AGONEMDSZLEZTC-ONEGZZNKSA-N	180.291	3.348	30	20	AGED	
CC[C@H](C#N)SCC(C)(C)C	307684023	IGABVPBJASYNGZ-MRVPVSSYSA-N	171.309	3.068	30	20	AGED	
C=CCC[C@H](CC)N[C@@H](C)CC	307989782	SNXKACASFDBLRS-QWRGUYRKSA-N	169.312	3.119	30	20	AGED	
C=CCCCN(CC1CC1)CC1CC1	605151021	ZAKIEHJGSKXUAL-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
C#CCCN1CCC[C@H]1CCCCC	760857074	ZNSZWVLTGQRWFQ-CYBMUJFWSA-N	193.334	3.054	30	20	AGED	
C=CCC(C)(C)C(=O)OCC=C(C)C	796462093	WIORRSUJDXIBMZ-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
Cc1cc(C=NOC(C)(C)C)c(C)o1	1319665557	SZQKSROVOCRVAN-UHFFFAOYSA-N	195.262	3.045	30	20	AGED	
C=CC(C)(C)CN[C@H](C)c1ccco1	385042188	OGMQCJKFMGPICW-SNVBAGLBSA-N	193.290	3.142	30	20	AGED	
CCC(CC)(CC)[C@H]1C[C@@H]1C=O	521400407	KYOFMXJVJGAKPA-ZJUUUORDSA-N	168.280	3.038	30	20	AGED	
C=CCON=C(CC)C[C@H](C)CC	835015697	MVBIBTPBAQTTTD-SNVBAGLBSA-N	183.295	3.391	30	20	AGED	
C=CC[C@@H]1CCCN(C/C=C\Cl)C1	852410191	JMOFGJONEUZOIU-MEQVVJDKSA-N	199.725	3.027	30	20	AGED	
N#CC1(c2cccc(F)c2Cl)CC1	238529664	FIOIXQHXYSOXSC-UHFFFAOYSA-N	195.624	3.034	30	20	AGED	
CC1(CC2(C=O)CCCC2)CCC1	306265430	OWFWPFJMBIFKBZ-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=CCNc1ccc(C2CC2)cc1	306695354	UXAYMEOJAIMSOV-UHFFFAOYSA-N	173.259	3.162	30	20	AGED	
C=CCCCSCCC1CC1	388091103	MVVKWOAGUSTAFE-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
CC(C)CON=C[C@@H]1CCC[C@@H](C)C1	768368410	XYZIRKDGGBLWQX-VXGBXAGGSA-N	197.322	3.471	30	20	AGED	
CCCCC[C@@H](C)N[C@H](CC)CC#N	42570199	IQXLDQHEAFMJBG-VXGBXAGGSA-N	196.338	3.237	30	20	AGED	
C=C(Cl)CN1CCCCCCC1	306229193	JBJPIUJSQHXQMS-UHFFFAOYSA-N	187.714	3.005	30	20	AGED	
C=C(C)CCSc1nc(C)c(C)[nH]1	378741300	JBTZQWPJLLCTTM-UHFFFAOYSA-N	196.319	3.085	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)c1cccs1	161676332	WOLOHOPKQGKJDJ-ZJUUUORDSA-N	195.331	3.363	30	20	AGED	
C=C[C@H](C)N[C@@H](C)CCC=C(C)C	308252473	IJVFBGRMUHOPHX-RYUDHWBXSA-N	181.323	3.285	30	20	AGED	
C=C[C@@H]1CCCCN1[C@H]1C=CCCC1	683793034	NEDSBXWRLVQHJV-OLZOCXBDSA-N	191.318	3.136	30	20	AGED	
CC(C)CNN=C1C[C@H](C)CC[C@@H]1C	834968025	DNIWFYXPHPMIJS-MNOVXSKESA-N	196.338	3.044	30	20	AGED	
C=C[C@@H](C)ON=CC(C(C)C)C(C)C	844625002	KMYUTEAKUHFBLY-LLVKDONJSA-N	197.322	3.492	30	20	AGED	
CCCC(CCC)N[C@@H](CC)CC#N	54182116	FDKOTQLAFXKJEV-NSHDSACASA-N	196.338	3.237	30	20	AGED	
C=CCCCN1CC[C@@H](C)[C@H]1CC	308430500	SYPJAPBXJWZMHK-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=CCCN(C)[C@@H]1C=CCCCCC1	645129512	SVPDKTFNAPFUOE-CYBMUJFWSA-N	193.334	3.383	30	20	AGED	
CC1(C)CCCC1=NNC1CCCC1	749855360	KMHRHTBEAVPRNN-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C[C@@H]1CC[C@H](C=NOCCC2CC2)C1	814245254	NRGHDXFAGXUVQI-PWSUYJOCSA-N	195.306	3.225	30	20	AGED	
C=C(C)CON=C(CC)[C@H]1C[C@@H]1C	844620716	ZPXSFDUAPZMALN-UWVGGRQHSA-N	181.279	3.001	30	20	AGED	
C=C(C)CNc1ccc(F)cc1Cl	49136569	FIWBVXLUAOKFGE-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@@H](C)C1	85057364	LHEQEGYZZVGHNM-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN(C)[C@H]1CCC(C)(C)C1	306440006	KAVUUTVLUKOJOS-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=C(C)CN(C1CCCCC1)C1CC1	642634133	SCZNKAYYOORNMY-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
Cc1ccc(F)c(NN=CC(C)C)c1	755772790	KWTUAMSGSHNQOC-UHFFFAOYSA-N	194.253	3.188	30	20	AGED	
C=C(C)CNCc1ccc(Cl)cc1	41582487	PWRZAELLJRKMAV-UHFFFAOYSA-N	195.693	3.006	30	20	AGED	
CC#CCNc1ccccc1C(C)C	51662883	HIWFYPGRRGKPOB-UHFFFAOYSA-N	187.286	3.245	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CC[C@@H](C)C1	128508750	NICYVQQWVODKRV-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C	169134314	JOGZZBKXKDQBHL-MROQNXINSA-N	195.350	3.365	30	20	AGED	
C=CCCN[C@H](CC)[C@@H](C)CCC	658117680	YSHOHERLLLPXQA-NWDGAFQWSA-N	183.339	3.367	30	20	AGED	
CCCC[C@@H](CC)NCCCCC#N	167264660	IDQOYJVXMALRIF-GFCCVEGCSA-N	196.338	3.239	30	20	AGED	
C=CCCSc1ccccc1OC	200189796	OLPDJAHVRKQPPM-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
C=CCSCc1csc(CC)n1	307993951	VHJCSIRLURGYRA-UHFFFAOYSA-N	199.344	3.125	30	20	AGED	
CC(=NOCC(C)C)c1ccsc1	388728470	UQQBHWLABHJRMK-UHFFFAOYSA-N	197.303	3.145	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCC12CCC2	651425961	JNYHCJYHVOVKOJ-NSHDSACASA-N	193.334	3.121	30	20	AGED	
CON=C(C)c1cccc2ccccc12	767464392	PWFJORYNBBWZQH-UHFFFAOYSA-N	199.253	3.210	30	20	AGED	
C=C(CC)CN1CC[C@@](C)(CC)C1	308315918	VLHCQVZGWOVEKA-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CC(C)(C)CNCC(CC)CC	384947303	LCCJAEGARIXIMM-UHFFFAOYSA-N	183.339	3.224	30	20	AGED	
C=CCCN1CC(C)(C)[C@@H]2CCC[C@@H]21	645248463	VILGNVFWVBIWLA-NEPJUHHUSA-N	193.334	3.073	30	20	AGED	
C=CCC1(NC[C@@H]2C[C@@H]2C)CCCC1	668624763	BCFURNLWSCGFSN-RYUDHWBXSA-N	193.334	3.121	30	20	AGED	
C=C(C)CCN(C)[C@H]1CCCC[C@@H]1C	682031749	STHPBPCOQMYNMW-STQMWFEESA-N	195.350	3.463	30	20	AGED	
CC(C)CON=C1CC[C@@H](C)C[C@@H]1C	783857188	WJHAHKWGTPJRFK-MNOVXSKESA-N	197.322	3.471	30	20	AGED	
CC[C@@H](C)NN=C1CCCC(C)(C)C1	790188528	KEGDKDHYVJGFCN-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
C=CCCNc1cccc(Cl)c1	39074700	FXHJUWJTRHJBLT-UHFFFAOYSA-N	181.666	3.328	30	20	AGED	
CC(C)Sc1cccc(F)c1C#N	86477264	JIDRQDMMOINGLJ-UHFFFAOYSA-N	195.262	3.198	30	20	AGED	
CC[C@@H](C)CON=C1CCC[C@H]1C	308310972	RHLDODDSEFOFCG-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
CC[C@H](C)CON=C(C)[C@@H](C)CC	379359581	ZCCQESYCLVXZQG-UWVGGRQHSA-N	185.311	3.471	30	20	AGED	
CC(C)CON=C1CC[C@@H]1C1CCC1	814883967	KCPVSYNYKLJZMT-LLVKDONJSA-N	195.306	3.225	30	20	AGED	
C=CCCCCN[C@@H]1CCC12CCC2	308540877	UOIZOLQGVYRKAE-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
CCC(C=NNCC1CCCC1)CC	808007085	OKPZKUHFUMJBDT-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
CCCSc1ccc(C#N)cc1	19870142	PENAHQPTHCKJFR-UHFFFAOYSA-N	177.272	3.060	30	20	AGED	
C=C(C)CN[C@H]1CCC[C@@H](CC)C1	82847671	QYUCGGJQPZGPKY-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CCCCN(CC)C(CC)CC	308215080	IUBDFVTZPBXEIS-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
C=C(CC)CN1CCC(CC)CC1	308391826	ZZHFBNYSKZJQPI-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C#CCCCN[C@@H](C)CCC=C(C)C	308663643	RGGJNJQZBTWKLK-ZDUSSCGKSA-N	193.334	3.124	30	20	AGED	
C=CCC[C@@H](C)NCC(C)(C)C=C	384986096	RWOYYQRVONOVIL-LLVKDONJSA-N	181.323	3.143	30	20	AGED	
C[C@@H](CCC#N)SCC(C)(C)C	393326683	RQLAINCOONNAAI-VIFPVBQESA-N	185.336	3.458	30	20	AGED	
C=CCCCCS[C@H](C)COC	591385773	PMPMZLMISUPLSE-SNVBAGLBSA-N	188.336	3.111	30	20	AGED	
C=CCCN[C@@H](CC)[C@H](C)CCC	658117679	YSHOHERLLLPXQA-NEPJUHHUSA-N	183.339	3.367	30	20	AGED	
CC[C@@H]1CCC1=NN[C@@H](C)C(C)(C)C	793115532	RLRUAEMUSLFJAU-VHSXEESVSA-N	196.338	3.187	30	20	AGED	
N#CCCCSC1CCCCC1	37485924	JDJVDSQKIBHWCZ-UHFFFAOYSA-N	183.320	3.356	30	20	AGED	
CC(C)c1ccc2ccnc(C#N)c2c1	82766640	INBIAXILFAIXOO-UHFFFAOYSA-N	196.253	3.230	30	20	AGED	
C=CC[C@@H](C)N[C@H]1CCC(C)(C)C1	164445833	QZOKBEGEYIYZQG-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
CC(C)C[C@@]1(C=O)CC[C@H](C)C1	306195658	IWGKTLGZKZGGLS-QWRGUYRKSA-N	168.280	3.038	30	20	AGED	
CCC[C@@H](CC)NC[C@@H](C)CCC#N	602545260	OVUOILBJQRLHMT-NWDGAFQWSA-N	196.338	3.095	30	20	AGED	
C[C@@H]1CCCC[C@@H]1C=NOC1CCC1	812235767	QGAKZOOKJYFCQZ-GHMZBOCLSA-N	195.306	3.368	30	20	AGED	
C=CCCCCN1CC2CCC1CC2	1209205241	QQRNGVVADBZIHE-UHFFFAOYSA-N	193.334	3.217	30	20	AGED	
C#CCCNc1c(C)cccc1Cl	85388385	OWEIZUQILLPENT-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C#C[C@H](NC(CCC)CCC)C(C)C	300985122	UTIZEFINHFBYGN-ZDUSSCGKSA-N	195.350	3.203	30	20	AGED	
CCC[C@H](C)[C@H](CC)NCCCC#N	308752552	UXQVJZQCRMDUCC-RYUDHWBXSA-N	196.338	3.095	30	20	AGED	
C=C(C)CCN[C@@H](C)CC(C)(C)C	384676672	SFLDMMPGPIIXNC-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C#Cc1ccc(-c2ccsc2)cc1	585144193	GWCSFKHAYWWIJC-UHFFFAOYSA-N	184.263	3.396	30	20	AGED	
C=C(CC)CN(C)[C@@H]1CCCC[C@@H]1C	682031686	PTAIBAYPADJZLF-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=C(C)CNc1cc(Cl)ccc1F	49537504	HPZRGHLHKZRZCQ-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCCCN[C@@H](C)CCCC	70592230	KPPNKHTUTVQVHF-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C#C[C@@H](N[C@H](C)CCC(C)C)C(C)C	300915080	MHBAQUWYGVIOHN-CHWSQXEVSA-N	195.350	3.059	30	20	AGED	
C=C(Cl)C[C@@]1(C=O)C[C@H]2CC[C@H]1C2	306623717	FAAWSLYHTVIVLT-DCAQKATOSA-N	198.693	3.134	30	20	AGED	
C=CCCN[C@@]1(C)CCCC[C@@H]1C	308711033	OCLWIQURGYURHS-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)CCC1CC1	648733587	PTJXPHHSGXVULI-NSHDSACASA-N	195.350	3.367	30	20	AGED	
C=CCCC(=O)O[C@H](C)CC(C)(C)C	835706730	SROKSFIQEPSQFT-SNVBAGLBSA-N	198.306	3.321	30	20	AGED	
C=C(CC)CNc1ccccc1	85056861	UUZDQALLPRQJOI-UHFFFAOYSA-N	161.248	3.065	30	20	AGED	
C=CCC[C@H](C)N[C@@H](C)CCC	126694478	VFAGQBCRWJWQQQ-QWRGUYRKSA-N	169.312	3.119	30	20	AGED	
C=CCCN[C@@H](CC)C[C@H](C)CC	168504521	MSCQYTYPHBIBKR-NEPJUHHUSA-N	183.339	3.367	30	20	AGED	
C=CCCN(CC)C1CCCCC1	308484840	OQLMBEFTLVNOAU-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=C[C@](C)(CC)C(=O)OCCCCC	785754282	PZNCRRWRDFIKSB-GFCCVEGCSA-N	198.306	3.322	30	20	AGED	
C=CCCNc1cccc(Cl)c1F	70591503	GHMXXCAFMIPIOD-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
CCCN(CCC(C)(C)C#N)C(C)C	83640501	JTNBAYZPCVVWFE-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C=C(Cl)CSc1ncccc1C	306343493	MJAAFEIOHNSVGB-UHFFFAOYSA-N	199.706	3.235	30	20	AGED	
C=C[C@@H]1CCCCN1C[C@@H](C)CC	308316450	VUYOKXPLLFMKRB-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CSc1ncc(CC)[nH]1	379382074	DPAQFAFECVBLAI-UHFFFAOYSA-N	196.319	3.030	30	20	AGED	
CC(C)ON=C[C@H]1CCCC[C@H]1C	835003737	ZTKOOMKIZSHSCP-GHMZBOCLSA-N	183.295	3.224	30	20	AGED	
CC[C@@H](C#N)Sc1ccccc1F	43557491	MVNRLJNNDMDKLQ-QMMMGPOBSA-N	195.262	3.220	30	20	AGED	
C=C[C@H](C)NCc1ccc(Cl)cc1	130456389	ZNMTZQBTHAAMII-VIFPVBQESA-N	195.693	3.004	30	20	AGED	
C=CC[C@H]1C[C@H]1c1ccccc1	165979139	VZORDBUUQFXRHS-RYUDHWBXSA-N	158.244	3.366	30	20	AGED	
C=C(C)CNc1nc(CC)c(C)s1	307071486	XDBLHWNEQSIXEX-UHFFFAOYSA-N	196.319	3.002	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NC1(CC)CC1	651396591	PDGPANZPXXMOMT-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
CCCON=C(C)CCc1ccco1	842565713	MEGAKWXUFSQKAW-UHFFFAOYSA-N	195.262	3.015	30	20	AGED	
Cc1ccc(C(C)(C)C)cc1CC#N	82530059	FGQQTXACPGZIAZ-UHFFFAOYSA-N	187.286	3.359	30	20	AGED	
CC(C)(C)CC=NOCCC1CC1	308293358	OMTKNOHQRHPCRA-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CCCCCS[C@H](C)C(C)=O	590728829	YBLMHTBXRMLTHM-SNVBAGLBSA-N	186.320	3.053	30	20	AGED	
C=CCCN[C@H]1CCC[C@H]1CCCF	658114179	MWBNARGRZYDEQZ-RYUDHWBXSA-N	199.313	3.071	30	20	AGED	
C=C(C)CN[C@@]1(C)CCCC[C@H]1C	306264551	CXAZYCRXNOHGNH-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CCCCN1[C@H](C)CCC1(C)C	650287038	NAGSFWZTIVKMLU-LLVKDONJSA-N	181.323	3.216	30	20	AGED	
C=CCCN1C[C@H](C)[C@@H]2CCCC[C@@H]21	679861029	KLSVKENLCPRIKX-AVGNSLFASA-N	193.334	3.073	30	20	AGED	
CC[C@H]1CCCC1=NOCCC1CC1	814247060	PECGBUPNVJIOHT-NSHDSACASA-N	195.306	3.369	30	20	AGED	
C=C[C@@H](C)ON=C(C)CCC(C)C	844623347	MJTGQSGKPFCUAF-LLVKDONJSA-N	183.295	3.390	30	20	AGED	
C#CCCCSCC1CC=CC1	853770808	PWDGXIOASNTCJW-UHFFFAOYSA-N	180.316	3.099	30	20	AGED	
CCCCCNc1cccc(C#N)c1	20051440	RMUPVQHNUHLURZ-UHFFFAOYSA-N	188.274	3.160	30	20	AGED	
C=CCCN[C@@H](C)C1CCCCC1	70592285	ASKJGKLULBOINE-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CC[C@H]1CC[C@@](C=O)(C2CCC2)C1	306255564	MRSIKULKPUPOMM-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
C=C(Cl)CSCCCC	306383166	QCHOEIORDKYJEV-UHFFFAOYSA-N	164.701	3.272	30	20	AGED	
C[C@@H]1CCC[C@]1(C=O)C1CCCC1	306722926	FZGVULGLBDPXJV-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=C(C)CNC(C)(C)c1cccs1	308264298	OJWSBARIEBEFQG-UHFFFAOYSA-N	195.331	3.149	30	20	AGED	
C=CCCN1CCC[C@@](C)(CCC)C1	608510974	VXCXHYFYWAZYOG-CYBMUJFWSA-N	195.350	3.465	30	20	AGED	
C=C(C)CCN[C@@H]1CC=C(C)CC1	648727805	ULTUBMKMWVUNTP-GFCCVEGCSA-N	179.307	3.041	30	20	AGED	
C=CCCN1C[C@H](C)[C@@H]2CCCC[C@H]21	679861030	KLSVKENLCPRIKX-RWMBFGLXSA-N	193.334	3.073	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1cccc(C)c1	157296527	DYPVIGLZPXOBQG-NWDGAFQWSA-N	189.302	3.220	30	20	AGED	
C[C@@H]1CCC[C@]1(C=O)C/C=C/Cl	307290623	ATPZYCRPJXDHJS-ZCZHLORFSA-N	186.682	3.134	30	20	AGED	
C=CC[C@@H](C)C(C)=NOCC1CC1	308295561	UOFRXOPWFTWYBS-SECBINFHSA-N	181.279	3.001	30	20	AGED	
C=C[C@H](C)N[C@H](CC)c1ccsc1	382125624	NPFGHMXVQFSVHT-GXSJLCMTSA-N	195.331	3.363	30	20	AGED	
C(#CC1CC1)c1nc2ccccc2s1	585143667	FQZIEQROPRAAJG-UHFFFAOYSA-N	199.278	3.058	30	20	AGED	
C[C@H]1CCC[C@@H](CSCCC#N)C1	591133807	ZDDIOYMHOQLPGH-WDEREUQCSA-N	197.347	3.460	30	20	AGED	
C=CCCOC(=O)C1CCCCCC1	729074351	UEEQEKMNGYLMJW-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC1(C)CCC[C@H]1NN=C1CCCC1	782289212	UVOYNSHICVDNKH-LLVKDONJSA-N	194.322	3.085	30	20	AGED	
C=CCSCCC(C)(C)C	307751005	MCLUFIUKWUPPDQ-UHFFFAOYSA-N	158.310	3.342	30	20	AGED	
C=CCC[C@H](CC)NC1(C2CC2)CC1	308699253	VTEAPVSQAOHCEI-LBPRGKRZSA-N	193.334	3.263	30	20	AGED	
CC[C@@H](C)CON=C(C)[C@H](C)CC	379359580	ZCCQESYCLVXZQG-NXEZZACHSA-N	185.311	3.471	30	20	AGED	
C=CCCN[C@H](C)[C@H](C)CCCC	658114744	QOXHXTBVVIOGIK-VXGBXAGGSA-N	183.339	3.367	30	20	AGED	
CCCC(Cc1ccccc1)=NOC	727255760	NUCYYOZFGDZAFS-UHFFFAOYSA-N	191.274	3.032	30	20	AGED	
C=CCON=C(CC)[C@H](C)CCC	835015340	IMSVVXSSLPNIQW-SNVBAGLBSA-N	183.295	3.391	30	20	AGED	
CCCCCCCC(=O)NC1(C)CC1	1318589958	NRJYVWXBFQFAOO-UHFFFAOYSA-N	197.322	3.016	30	20	AGED	
C=C(Cl)CN(CCCC)C1CC1	388378580	HLRWRDQQUOBMFS-UHFFFAOYSA-N	187.714	3.003	30	20	AGED	
N#CCCSc1ccccc1Cl	19847601	VJDCIQVHMYBIMY-UHFFFAOYSA-N	197.690	3.346	30	20	AGED	
C=C(CC)CN1[C@H](C)CCC[C@H]1C	306670381	LRXBMRRPEOJDJS-VXGBXAGGSA-N	181.323	3.216	30	20	AGED	
CC(=NOC(C)(C)C)c1ccsc1	308147986	MTTSACUZBFWECO-UHFFFAOYSA-N	197.303	3.287	30	20	AGED	
C=CCCN1C[C@H](C)c2ccccc21	606896104	VAYFDBMZLWIZCM-NSHDSACASA-N	187.286	3.186	30	20	AGED	
C=C(C)CCN[C@H]1CC[C@@H]1C1CCC1	648727780	NJBAMLICDDNZBE-OLZOCXBDSA-N	193.334	3.121	30	20	AGED	
C=C(CC)CN1CCC[C@@H]1C(C)(C)C	678623878	OKQPSGWITDOPMW-GFCCVEGCSA-N	195.350	3.463	30	20	AGED	
CCN(CC(C)(C)CCC#N)C(C)C	768237448	SHVZHWCJOMPKEJ-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
CCCC[C@@H](CC)CN(CC)CC#N	45061809	UAIMPIKLDKBZDR-GFCCVEGCSA-N	196.338	3.048	30	20	AGED	
C[C@H]1CCC[C@]1(C=O)C[Si](C)(C)C	306381269	WEXVBMRZGGCHSQ-QWRGUYRKSA-N	198.382	3.330	30	20	AGED	
CCCCC(C)=NNC1CCCC1	308402194	HQSUXTDHKGJWFN-UHFFFAOYSA-N	182.311	3.085	30	20	AGED	
CC#CCCN(C(CC)CC)C1CC1	687716432	PESRNVWJYZPPFB-UHFFFAOYSA-N	193.334	3.053	30	20	AGED	
CCC(=NOC(C)(C)C)[C@H]1C[C@@H]1C	1327461971	WSZZETFGKSWTQA-IUCAKERBSA-N	183.295	3.224	30	20	AGED	
C=CC[C@@H](C)N[C@H]1CC=C(C)CC1	646140430	VZWJWKOECCKCBT-NEPJUHHUSA-N	179.307	3.039	30	20	AGED	
C=CCCN[C@@H](C)CC1CCCC1	658117538	WFOWGOZACOLXRH-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCCN1CCC=Cc2ccccc21	682436311	RCHCQOQOZZLTFD-UHFFFAOYSA-N	199.297	3.486	30	20	AGED	
C=CCNc1ccc(C)c(Cl)c1	41578850	PAEJFCFMVACVBK-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
C=CC[C@@]1(O)C[C@@H](C)CC(C)(C)C1	78675705	KZFXQYPCFAVZPH-CMPLNLGQSA-N	182.307	3.140	30	20	AGED	
C=C[C@H](C)Nc1ccnc2ccccc12	130624722	DUYSVZBQATXFKE-JTQLQIEISA-N	198.269	3.221	30	20	AGED	
CC(C)[C@H](C)C1(C=O)CCCCC1	307446241	WMDRRHRMGURCHM-NSHDSACASA-N	182.307	3.428	30	20	AGED	
CCCC[C@H](C)NCC(C)(C)CC#N	590970603	WTJDUTFSQDCQOV-NSHDSACASA-N	196.338	3.095	30	20	AGED	
CCC(=NN1CCCC[C@@H]1C)C(C)C	853380555	XLWFAGHJSQEFTJ-NSHDSACASA-N	196.338	3.283	30	20	AGED	
CC(C)CCC[C@H](C)NCCCC#N	42222297	BTJHYJFYDAMZIT-LBPRGKRZSA-N	196.338	3.095	30	20	AGED	
C=C(CC)CNc1cc(F)cc(F)c1	85057178	RNAGBGGMUXSLRX-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=CCC[C@@H](C)NCc1ccsc1	126759471	VLFVABSBYBYGRF-SNVBAGLBSA-N	195.331	3.192	30	20	AGED	
Cc1ccc(C=NOCC(C)C)s1	308167059	YBTWOBJQHSKMHG-UHFFFAOYSA-N	197.303	3.063	30	20	AGED	
C=CC(C)(C)CNC1CCC(C)CC1	385033743	LNNCYQAWPLPYTO-UHFFFAOYSA-N	195.350	3.367	30	20	AGED	
CC[C@H](C)CS[C@@H](C)CCC#N	591128259	ZWQDBMOXJHLYKB-UWVGGRQHSA-N	185.336	3.458	30	20	AGED	
CCC[C@@H](N[C@@H](C#N)CC)C(C)(C)C	591242750	ANEZCAOUYDEKJO-GHMZBOCLSA-N	196.338	3.093	30	20	AGED	
CC[C@H](C)CC=NOC/C=C/Cl	834980131	VRICAYXTGWBYRP-IKFGWGOKSA-N	189.686	3.178	30	20	AGED	
CCC(=NOCC1CCC1)[C@@H]1C[C@H]1C	853440981	PTORFSPLSDKXQX-MWLCHTKSSA-N	195.306	3.225	30	20	AGED	
CC[C@@H]1CCC[C@H](S)CC1	83435132	XQUPXMPFBFMVFS-BDAKNGLRSA-N	158.310	3.275	30	20	AGED	
CSCC#Cc1ccc(Cl)cc1	306382426	UHLMFBYFFKYVOA-UHFFFAOYSA-N	196.702	3.055	30	20	AGED	
C=C(CC)CNC1[C@H](C)CCC[C@H]1C	308595253	MFGZBHGOVIISNJ-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
Cc1cccc(CC[C@H](C)S)c1	86895243	WEQAPYLKGQCUDL-JTQLQIEISA-N	180.316	3.246	30	20	AGED	
C=C(CC)CN(C)[C@@H](C)C1(C)CC1	308204387	XLZNKMIHCYQQMU-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=C(C)CCN(CC)CC1CCC1	308321113	YPHIGAXMBATTNZ-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CCC[C@H]2C[C@H]21	378807901	YAEPDAZMJBHCGL-WUHRBBMRSA-N	193.334	3.119	30	20	AGED	
CON=C[C@H](C)CC1CCCCC1	379411540	IJUSMFJTSYSYJY-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C#C[C@H](N[C@H](CC)C(C)C)C(C)(C)C	379650122	DLJIXKFRZLQLJP-NEPJUHHUSA-N	195.350	3.059	30	20	AGED	
C=CCCCCN1CC[C@H](C)[C@H]1C	649338720	JNJWTOLYAMBSRN-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CCC(CC)=NN[C@H]1CCCC1(C)C	782286261	HVMDKXCXBBVWPL-NSHDSACASA-N	196.338	3.331	30	20	AGED	
CC1(C)CCC(=NNC2CCCC2)C1	783840132	VSZFQIYNKZHTRY-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC[C@H](C)CON=C[C@@H]1CC[C@@H](C)C1	793146501	UATIJTIGDTVYOA-QJPTWQEYSA-N	197.322	3.471	30	20	AGED	
CCC(CC)=NN1CCCC[C@H]1C	853379187	LYDAWORKMBIADE-SNVBAGLBSA-N	182.311	3.037	30	20	AGED	
C=C(Cl)CSCCCCC#N	853784202	YXMSFROIFFABAA-UHFFFAOYSA-N	189.711	3.166	30	20	AGED	
Cc1cccc(SCCCC#N)c1	40696059	WTTSCKAZCUBQBO-UHFFFAOYSA-N	191.299	3.391	30	20	AGED	
C=CCC(C)(C)CNC(CC)CC	379831837	BINBUGWLVQOOTQ-UHFFFAOYSA-N	183.339	3.367	30	20	AGED	
C=CCCN1c2ccccc2C[C@@H]1C	606896566	JQFPBQSKCYYBFT-NSHDSACASA-N	187.286	3.014	30	20	AGED	
C=C(C)CN1CCC[C@H](CC(C)C)C1	675250422	OREUVVWFNOTUOX-CYBMUJFWSA-N	195.350	3.321	30	20	AGED	
Cc1ccc(NN=C2CCCC2)cc1	916250094	JSPMNWSRVWAMJD-UHFFFAOYSA-N	188.274	3.337	30	20	AGED	
C=CCC[C@@H](C)N[C@H](C)CC(C)C	126884214	VVCVCXIEOAMEJA-VXGBXAGGSA-N	183.339	3.365	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC[C@H](C2CC2)C1	157275078	MJJFUFHIDOUOJP-WCFLWFBJSA-N	193.334	3.119	30	20	AGED	
C=C(Cl)CN(CC1CC1)C1CCC1	308186460	JOOIULJUNJREAI-UHFFFAOYSA-N	199.725	3.003	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCC[C@@H](C)C1	384933362	HUCINHBWUNYOCL-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCCCCN1[C@H]2CCC[C@H]1CC2	649344104	IJVDCPVQMMIAKQ-STQMWFEESA-N	193.334	3.360	30	20	AGED	
C=C/C=C/CCN[C@@H](C)CCC=C	713476250	YVPXSHRBVYYKDI-WMADIVHISA-N	179.307	3.063	30	20	AGED	
CC[C@H](C)NN=C1CCC12CCCC2	790183120	OQZMHWWFNPAJLR-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
CCON=C[C@H](C)c1ccc(C)cc1	863077300	OGHOUMOZHDJFIB-NSHDSACASA-N	191.274	3.121	30	20	AGED	
C#CCCNc1ccccc1CCC	82496999	ZCDZNRLJHNVVMD-UHFFFAOYSA-N	187.286	3.074	30	20	AGED	
Cc1cc(C)cc([C@H](C)S)c1	148459374	HJDMKLJUDPNRMQ-VIFPVBQESA-N	166.289	3.294	30	20	AGED	
C=CCN1CCC[C@H]1C1CCCCC1	613480413	LZYWKVVWYDRFDC-ZDUSSCGKSA-N	193.334	3.217	30	20	AGED	
C=C(C)c1ccc(OC2CC2)cc1	665176946	MPOFMMSOGNHLGD-UHFFFAOYSA-N	174.243	3.261	30	20	AGED	
CC1CC(CSCC2(C#N)CC2)C1	1356050019	RKWDRBCPZZNLKI-UHFFFAOYSA-N	195.331	3.069	30	20	AGED	
C=CCC[C@@H](NCCC)c1ccco1	70594959	CUNQCDSCNIJQOE-LLVKDONJSA-N	193.290	3.287	30	20	AGED	
C=C(Cl)C[C@H]1CCCC[C@]1(C)O	104836917	HXNYGWJFNJYFNG-ZJUUUORDSA-N	188.698	3.070	30	20	AGED	
CC[C@H](C)CON=C1CCC[C@H]1C	308310974	RHLDODDSEFOFCG-VHSXEESVSA-N	183.295	3.225	30	20	AGED	
C#CCCCCN[C@H](CC)CCC=C	308740570	OMDHLDBIEXSIHG-CYBMUJFWSA-N	193.334	3.124	30	20	AGED	
CC[C@@H](C)CON=C[C@H]1CC=CCC1	793159968	SHMSYHXYIRVFJJ-NEPJUHHUSA-N	195.306	3.391	30	20	AGED	
C=CCSCc1cccc(F)c1	41364245	KKZMGVCHBHSHCG-UHFFFAOYSA-N	182.263	3.245	30	20	AGED	
C=C[C@H](C)N[C@H](C)[C@H](C)CCCC	308328639	HJTYHSZQCIOQMP-GRYCIOLGSA-N	183.339	3.365	30	20	AGED	
C=C(CC)CN(CCC)CC(C)C	308376950	SUDDSINWWYRQPP-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CCC[C@H]1C	310539267	BRPMEJPIFUCNRQ-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](CC)N[C@H]1CC1(C)C	379355711	AXADUZBOHRJMHG-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
CCC(CC)(CC)[C@@H]1C[C@H]1C=O	521400406	KYOFMXJVJGAKPA-VHSXEESVSA-N	168.280	3.038	30	20	AGED	
C=C[C@H](C)ON=C(C)c1cccs1	844624000	RODKCZAGIXJBHD-QMMMGPOBSA-N	195.287	3.063	30	20	AGED	
C=CCCOc1ccc(CC)cc1	82865281	OSPFBRKIZCYQEI-UHFFFAOYSA-N	176.259	3.204	30	20	AGED	
CCCCCCCN[C@@H]1CC[C@@H]1C	308163627	YFRXROBDSBCNIY-NWDGAFQWSA-N	183.339	3.345	30	20	AGED	
C=CCC[C@@H](C)NCc1occc1C	379619739	CVVPQWRWTKDNDW-LLVKDONJSA-N	193.290	3.032	30	20	AGED	
C=CC1CCN(CCC2CCC2)CC1	659917230	ROEWYJKWANBGEB-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
C=CCCN1CCC[C@@H]1[C@H](C)CCC	676041894	PLOOOMILSSPZMV-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
CC[C@H](C)CC=NOC(C)(C)C	1117783030	UFLPEDKQOJKPIC-VIFPVBQESA-N	171.284	3.224	30	20	AGED	
CCCCCC#C[C@H]1CCCC[C@@H]1O	34592230	KSRINXHLVZQFRA-STQMWFEESA-N	194.318	3.121	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)CCCC	161669213	WGOAHZIQURCZRW-GHMZBOCLSA-N	169.312	3.119	30	20	AGED	
C=C(C)CCNc1cccc(C)c1	168940289	VEDRXGAOBCZBBG-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C=CC[C@H](C)NC[C@@H](C)CC(C)C	300836348	CPGDFCYRLHFUNZ-RYUDHWBXSA-N	183.339	3.223	30	20	AGED	
C#C[C@H](N[C@H](CC)CCCC)C(C)C	300930690	NTGKFOMEIBRBFR-OLZOCXBDSA-N	195.350	3.203	30	20	AGED	
C=C(CC)CSCCC	307518721	LPRDVOIPPMTPED-UHFFFAOYSA-N	144.283	3.096	30	20	AGED	
C=CCC(C)(C)CNC1CCCC1	310541930	CMOCOPGEIUCEQQ-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CCCCCN1CC[C@@H](C)[C@H]1C	649338722	JNJWTOLYAMBSRN-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=CCCN1CCC2(CCCC2)CC1	739916449	YCFZXPABWYRWDK-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
CC(=O)/C=C/c1ccc(C(C)C)cc1	26840563	QCCJVOCKOHDATB-SNAWJCMRSA-N	188.270	3.412	30	20	AGED	
S[C@H](c1cccs1)C1CC1	42330438	FBOXYNUCGKNNOE-QMMMGPOBSA-N	170.302	3.129	30	20	AGED	
C=CCC[C@@H](NCC(=C)Cl)C1CC1	379359710	ZODKONIMHZPBEX-LLVKDONJSA-N	199.725	3.073	30	20	AGED	
C=C(C)CN(Cc1ccco1)C(C)C	621272699	PTUQDOPRVWYCNF-UHFFFAOYSA-N	193.290	3.066	30	20	AGED	
C=CCCCCN1C[C@@H](C)C[C@H]1C	649320774	MYQGZVLLGHXZIJ-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C[C@@H]1CCC[C@@H](CON=C2CCC2)C1	781614254	LJSAZMOYDIBQIN-GHMZBOCLSA-N	195.306	3.369	30	20	AGED	
Fc1ccc(NN=C2CCCC2)cc1	916267989	CBQJBUQNPLIQLQ-UHFFFAOYSA-N	192.237	3.168	30	20	AGED	
CC(C)(C)ON=C/C=C\c1ccco1	1323133287	UEZLWDHXWJANSW-TYYPFFCMSA-N	193.246	3.094	30	20	AGED	
CC1CCC(C=O)(C2CCC2)CC1	307025147	IVVVLSZYTUDKFZ-UHFFFAOYSA-N	180.291	3.182	30	20	AGED	
C=CCCCCN(C)C(C)(C)C	646088782	WFALKISAJZJJQM-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
CON=C(C)c1ccc(C(C)C)cc1	767493214	YMJPJMRBGFWEDL-UHFFFAOYSA-N	191.274	3.180	30	20	AGED	
C[C@@H]1CCCC(=NOC2CCC2)[C@@H]1C	812235220	PIPKYXSAUOYVQJ-NXEZZACHSA-N	195.306	3.368	30	20	AGED	
C=C(C)c1cccc([C@H](O)CC)c1	844236112	RZCVCPVDIVSXAV-GFCCVEGCSA-N	176.259	3.163	30	20	AGED	
C=CCNc1ccccc1SC	227557711	VFHFKIVWQNYWJZ-UHFFFAOYSA-N	179.288	3.006	30	20	AGED	
C=C(C)CCNc1ccncc1Cl	306855897	WLXLJHKNSRFQTL-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CC[C@H](C)C1	307096255	HJOIBPUYFJFNJI-DCAQKATOSA-N	168.280	3.038	30	20	AGED	
C=C(CC)CN(CC1CC1)C(C)C	308193490	PFYPTIJYFLLCCN-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCN1CC[C@@H](C(C)(C)C)C[C@@H]1C	672578393	OGISXEHUKFLYON-NWDGAFQWSA-N	195.350	3.319	30	20	AGED	
C=C(C)CN[C@H]1CCC[C@H](CC)C1	82847672	QYUCGGJQPZGPKY-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C#Cc1cccc(N[C@@H]2CCC[C@@H]2C)c1	83389510	LOVVFIVRLBAAPP-SMDDNHRTSA-N	199.297	3.268	30	20	AGED	
CCCCCCCN=[N+]=[N-]	100064639	FYKLDSLIWBUFOT-UHFFFAOYSA-N	141.218	3.267	30	20	AGED	
C=CCN[C@H](C)c1cc(C)cc(C)c1	148333750	CENKITIKVBXJER-GFCCVEGCSA-N	189.302	3.140	30	20	AGED	
C=C(CC)CN1[C@@H](C)CCC[C@@H]1C	306670379	LRXBMRRPEOJDJS-RYUDHWBXSA-N	181.323	3.216	30	20	AGED	
C=C(CC)C(=O)N[C@H](C)CCCCC	1348483637	PCURGEPZTCHWRD-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
CC(C)CCSCCCCC#N	221823977	WFTKHXRLFSRRLP-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C=C(C)CN(C)[C@@H]1CCC(C)(C)C1	306440005	KAVUUTVLUKOJOS-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=C[C@H](C)N[C@@H](C)[C@@H](C)CCCC	308328641	HJTYHSZQCIOQMP-SRVKXCTJSA-N	183.339	3.365	30	20	AGED	
C=CCON=CC(C(C)C)C(C)C	835013258	NZEOBXAGPAUJGZ-UHFFFAOYSA-N	183.295	3.103	30	20	AGED	
C[C@@H](CSCCC#N)C(C)(C)C	865370246	JYRKAKLMIVNFIU-VIFPVBQESA-N	185.336	3.315	30	20	AGED	
C=CCCNc1cccc(C)c1C	70591457	XQOPUOOSEFDLIT-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CC[C@H](C)C1	128509377	NICYVQQWVODKRV-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C[C@H]1CCC[C@@H](C2(C=O)CCC2)C1	307367071	NYBSXGNDWYMBTN-WDEREUQCSA-N	180.291	3.182	30	20	AGED	
CCCC=NOC1CCCCC1	307975068	KFFIJAQIZMIZOF-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C=C(C)CN(C)CCCC1CCC1	660222233	UPYJWUXABAESQF-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=C(C)CCN(C)[C@H]1CCC[C@@H](C)C1	681399297	QMPJNYWVUCNYCH-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
CCCC(=NOCC)c1ccccc1	767465172	UNHHRRHZGAVIGU-UHFFFAOYSA-N	191.274	3.227	30	20	AGED	
C[C@H](CON=C1CCC1)C(C)(C)C	871733518	KCQYTINXSWONNX-SECBINFHSA-N	183.295	3.225	30	20	AGED	
C#C[C@@H](C)NC(CC(C)C)CC(C)C	166440743	TWWAQVRFLBKTBG-GFCCVEGCSA-N	195.350	3.059	30	20	AGED	
C=CCCCN1CCC(C)(C)CC1	308310497	QZWFPPBQNAWSNQ-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CCC1(C)C	381850663	FNBJKHVWCIOJHC-NSHDSACASA-N	195.350	3.367	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC[C@H](C2CC2)C1	157275381	MJJFUFHIDOUOJP-DRZSPHRISA-N	193.334	3.119	30	20	AGED	
CCCCCCCNC1CC(C)C1	166645085	AUCWLAHEZDKLKC-UHFFFAOYSA-N	183.339	3.345	30	20	AGED	
CC#CCSc1cccc(Cl)c1	306334574	RPCJFVJVYGUZTH-UHFFFAOYSA-N	196.702	3.455	30	20	AGED	
C=C(C)CN(CC)C(CC)CC	388481357	VAWMTTLSSKACDJ-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
CCCOc1cc(Cl)ccc1C#N	62790210	LBYIUJVDVYGSMA-UHFFFAOYSA-N	195.649	3.000	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC[C@@H]1C[C@H]1CC	648731994	IMRHPKYJLSFZTF-RVMXOQNASA-N	195.350	3.223	30	20	AGED	
CC(C)=CC[C@]1(C=O)CCC[C@H]1C	306336959	UQNYYJFBLOWZHX-NEPJUHHUSA-N	180.291	3.348	30	20	AGED	
C=C(CC)CNc1cccc(Cl)n1	307044455	NZANTNMCUCWALE-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
C=CCCCCCCNC[C@@H]1C[C@@H]1C	308635011	CBMGGZXCRBERJC-STQMWFEESA-N	195.350	3.369	30	20	AGED	
C#C[C@@H](C)N[C@@H](C)CCCCCC=C	308651535	KURWGFYUVPNBFL-OLZOCXBDSA-N	193.334	3.123	30	20	AGED	
CCON=C1CCCC[C@@H]1C(C)C	379359628	ZGKYHXMXVVMORJ-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
CC(C)CSCC(C)(C)CC#N	594878840	MGAGGXCAQZEGGF-UHFFFAOYSA-N	185.336	3.315	30	20	AGED	
C=C(C)c1ncc(C(C)C)s1	629729870	IAJJZSPPCPRUAD-UHFFFAOYSA-N	167.277	3.300	30	20	AGED	
C=CCCC(C)(C)NC[C@@H](C)CC	657804876	FJTTYHREDZEMJX-NSHDSACASA-N	183.339	3.367	30	20	AGED	
CCCNN=C1CCC(C)(CC)CC1	751527780	YXMMKMPTYCCNNT-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CCC(CC)CNN=C(C)C1CCC1	774471739	NKFQBHZOSKPDBW-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C#CCCCN[C@H](CCC)C(C)(C)C	831169834	KLPHGZCVQJUQAR-GFCCVEGCSA-N	195.350	3.204	30	20	AGED	
C=CCCCCn1ccc(CCC)n1	1331477416	XVGXAUYFBNQIHN-UHFFFAOYSA-N	192.306	3.192	30	20	AGED	
C=CCN[C@@H](C)c1ccccc1Cl	19875801	JKFYPXWDRAXZHR-VIFPVBQESA-N	195.693	3.177	30	20	AGED	
CC[C@@H]1CCC[C@](C=O)(C2CC2)C1	306311074	RIDDUYMCOJEZGO-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=C(C)CSCCCSC	306798902	MMNQXSJWDNITIX-UHFFFAOYSA-N	176.350	3.049	30	20	AGED	
C#C[C@@H](NCCCC(C)C)C(C)(C)C	308541699	UVQQXFRHZZBIBV-GFCCVEGCSA-N	195.350	3.060	30	20	AGED	
C=C(CC)CN(C)[C@H](C)c1ccco1	678623929	PAHXWLGLIOBFLA-LLVKDONJSA-N	193.290	3.239	30	20	AGED	
C=C(C)CCSc1cccc(O)c1	168005744	VZURZWXPTAJFAF-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C=C[C@H](C)N[C@@H](C)[C@H](C)CCCC	308328642	HJTYHSZQCIOQMP-WOPDTQHZSA-N	183.339	3.365	30	20	AGED	
C=CC(C)(C)CNCCCC(C)C	384903539	BHRGQYBPDUZEFZ-UHFFFAOYSA-N	183.339	3.224	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCC1(C)C	388603740	UFRKNEYOADWXEH-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C=CCCCN1CC[C@@](C)(CC)C1	388712595	PXSPJQWHNMUPAM-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCCN[C@@H]1CCCCC[C@H]1C	83949115	SHCZYFNOCLIROL-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC[C@@H](CC)C1	157274761	WXSBUDCHPYIKIP-QJPTWQEYSA-N	181.323	3.119	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1cccc(C)c1	157296828	DYPVIGLZPXOBQG-VXGBXAGGSA-N	189.302	3.220	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	157303383	ZEQPLMIUBRWZOU-SDDRHHMPSA-N	195.350	3.365	30	20	AGED	
C=C(C)CCN[C@@H](C)CCCC	168980756	APFVZBUAVJNMTA-NSHDSACASA-N	169.312	3.121	30	20	AGED	
CC[C@@H]1CC[C@](C=O)(C2CCC2)C1	306255566	MRSIKULKPUPOMM-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCCC(=C)C	648727236	PRMKUOVELDINLJ-NEPJUHHUSA-N	181.323	3.143	30	20	AGED	
C=CC(C)(C)CN[C@@H](C(C)C)C1CC1	651425969	NHZKYJPLZLMSTI-LBPRGKRZSA-N	195.350	3.223	30	20	AGED	
CCCNN=C1CCC(C(C)C)CC1	729636859	BYFPFARSVDVDGM-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=C(CC)CN[C@@H](C)CCCC	85058293	AQCYRSZCZNYSGX-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C=C[C@@H](C)NCCC1CCCCC1	229325255	GUWIJYCLMYIRAS-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCCN(C)[C@@H](C)c1cccs1	379389092	KVTRYBWGWGUQFA-JTQLQIEISA-N	195.331	3.317	30	20	AGED	
C=CCC(C)(C)CNc1ccccn1	379623814	IFRNRSYYASEEGT-UHFFFAOYSA-N	190.290	3.096	30	20	AGED	
CC[C@@H](C)C=NOC[C@H](C)CC	388499094	LIZOVBPTKHPXIO-NXEZZACHSA-N	171.284	3.081	30	20	AGED	
C#CCCNc1cccc(Cl)c1C	70159575	KBLKRBZQAGLULP-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCCCOc1cccc(C)c1F	227297010	UYNGMUYJSUJQSG-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
C=C(C)CCOc1cc(F)ccc1C	230694131	RYWMBSBAWQEVHO-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
C=C(CC)CS[C@@H](C)CCOC	307963586	ZIKFWRKOHGJXEU-JTQLQIEISA-N	188.336	3.111	30	20	AGED	
C1CCC(ON=C2CC[C@H]2C2CC2)C1	814895589	ZVQROHGOQPFYLZ-NSHDSACASA-N	193.290	3.122	30	20	AGED	
C[C@H]1CCCC(=NOCC2CCC2)C1	853440146	VDBWTNJMILDKPP-JTQLQIEISA-N	195.306	3.369	30	20	AGED	
C=CCNc1ccc(F)c(Cl)c1	41570654	NYHSBOJZKDTFGR-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
CCCCCCC[C@H](C)NCCC#N	59090378	OEPJPTRBACGHQF-LBPRGKRZSA-N	196.338	3.239	30	20	AGED	
C=CCCNc1ccc(C)cc1F	70591494	SUSOGQBZDUGMNR-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
CC#CCCSc1cccs1	306208828	MWJPQWLOCUBMND-UHFFFAOYSA-N	182.313	3.254	30	20	AGED	
C=C[C@H](C)[C@]1(C=O)CCCC[C@@H]1C	306219852	QTWBPCAVWCKITJ-SDDRHHMPSA-N	180.291	3.204	30	20	AGED	
C#Cc1cccc(N[C@@H]2CC[C@H]2CC)c1	309088387	BGOREGBOQOMTPQ-TZMCWYRMSA-N	199.297	3.268	30	20	AGED	
C=CCN1CCC(CC)(CC)CC1	388366767	VRTWYDQRLHOMFA-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
N#C[C@@H](SC1CCCCC1)C1CC1	601070450	RTJPCDATGMGKOI-LLVKDONJSA-N	195.331	3.354	30	20	AGED	
C=CCCCN1CCC(C(C)C)CC1	608499799	VMUVOLBIXBEAMV-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=C(C)CN1C[C@@H](C)c2ccccc21	642627608	LJRNHURAIMCKTA-LLVKDONJSA-N	187.286	3.186	30	20	AGED	
CC[C@@H](C)CC=NOCC(C)C	834966040	LBANIUVKCKESOF-SNVBAGLBSA-N	171.284	3.081	30	20	AGED	
CC(=NOC(C)C)c1csc(C)c1	835003278	XOHITCJNXZOZDH-UHFFFAOYSA-N	197.303	3.206	30	20	AGED	
C#CCCCSCC/C=C/C=C	902350337	JMACGYMHFSXEHF-FNORWQNLSA-N	180.316	3.265	30	20	AGED	
C=C(Cl)COc1ccc(CC)cc1	70233661	RZYIPRCXUASYGM-UHFFFAOYSA-N	196.677	3.380	30	20	AGED	
C#C[C@H](CC)N[C@@H](C)CCCC(C)C	229519112	FZSJLPVEZHSJHZ-QWHCGFSZSA-N	195.350	3.203	30	20	AGED	
C=C(Cl)CN(C(C)C)C1CCC1	308124718	UJMRUQMTHNWEEX-UHFFFAOYSA-N	187.714	3.002	30	20	AGED	
C=CCN(CCCCCF)C(C)C	308285537	YVRWHPOYQHHWQP-UHFFFAOYSA-N	187.302	3.023	30	20	AGED	
C#CC(C)(C)C1CCCCC1	101490588	PCKFBGABNODKJD-UHFFFAOYSA-N	150.265	3.226	30	20	AGED	
CC(C)CON=C[C@H](C)C(C)(C)C	388587868	JMKIAAXIGXGVKO-JTQLQIEISA-N	185.311	3.327	30	20	AGED	
C=CCC[C@@H](NCCC(=C)C)C1CC1	651420809	MGZZZRJVLWDQIF-CYBMUJFWSA-N	193.334	3.287	30	20	AGED	
CCC(C)=NNc1cc(C)ccc1F	759652650	LBVBIGNYWJYRQZ-UHFFFAOYSA-N	194.253	3.332	30	20	AGED	
CCC(=NNCCC(C)(C)C)C1CC1	782903127	QARJLLZNFZVCMC-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
CCC(C=NOC/C=C\Cl)CC	307975721	KRHLBEQKZSZDTP-BFMSXUPBSA-N	189.686	3.178	30	20	AGED	
C=CCSCCc1ccccc1F	308195100	ROQOHYXCRVLVFY-UHFFFAOYSA-N	196.290	3.287	30	20	AGED	
C#CC(C)(C)Cc1cccc(F)c1	585142604	ONFXRBMVEOGUQS-UHFFFAOYSA-N	176.234	3.028	30	20	AGED	
C=C(C)CN1[C@H]2CCCC[C@@H]2C[C@H]1C	605421715	WIOXXLISLVOWST-UPJWGTAASA-N	193.334	3.216	30	20	AGED	
C=CC1CCN(CCCCC)CC1	308247350	XIXUMYXZARJTAY-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C#CCCCN[C@H](C)CCC=C(C)C	308663639	RGGJNJQZBTWKLK-CYBMUJFWSA-N	193.334	3.124	30	20	AGED	
C=CCCCC[C@@H](C)NCCCC#N	590647672	KMTIJMPOODRWJR-GFCCVEGCSA-N	194.322	3.015	30	20	AGED	
C=CCCN(C)Cc1ccc(C)cc1	606896421	OIYGEJFLICWFGK-UHFFFAOYSA-N	189.302	3.003	30	20	AGED	
CC(C)CNN=C1CC[C@@H](C)[C@H](C)C1	767385505	KLZXEGGPHXNRTR-GHMZBOCLSA-N	196.338	3.044	30	20	AGED	
C=CCC(C)(C)C(=O)OCCC(C)C	796462881	OMHDDUFKMYQSDR-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
C[C@H](S)CCCC(F)(F)F	166729001	WFJNWZQCDDAYFR-YFKPBYRVSA-N	172.215	3.037	30	20	AGED	
C=C(CC)CSCc1cc(C)no1	308294309	JFLDQTOVLIIPBM-UHFFFAOYSA-N	197.303	3.182	30	20	AGED	
CC[C@H](C)N(C)CC(C)(C)CCC#N	611254822	BKVRIZRWPHQBOQ-NSHDSACASA-N	196.338	3.047	30	20	AGED	
C=CCN(CC)Cc1ccc(C)cc1	621284680	FWFWZTTYSJVZJU-UHFFFAOYSA-N	189.302	3.003	30	20	AGED	
CCCC[C@H]1CCCC1=NNCCC	727256402	ZGROEWDTBNJUAC-NSHDSACASA-N	196.338	3.332	30	20	AGED	
CC(C)CNN=C[C@H]1CCCC[C@@H]1C	783863354	KPDNFVKAIPWCKP-NWDGAFQWSA-N	196.338	3.044	30	20	AGED	
CC(C)[C@]1(C=O)CCCC[C@@H]1C	306387086	YSVYBWFSXRFQFN-WDEREUQCSA-N	168.280	3.038	30	20	AGED	
CC(C)(C)CC=NOC/C=C/Cl	307970481	WXOUZNFRBLDBNM-ATPWIYTASA-N	189.686	3.178	30	20	AGED	
C=CC[C@@H](CC)N[C@H](C)c1ccoc1	308727600	HKICQIMFSDCLMD-ZYHUDNBSSA-N	193.290	3.285	30	20	AGED	
C=C(CC)CN1CCCC[C@H]1CC	379418684	WMVPCRGXMXOYSO-GFCCVEGCSA-N	181.323	3.217	30	20	AGED	
CCC(=NOC(C)(C)C)C(C)C	393378567	ZZZQLKJVVDVFFT-UHFFFAOYSA-N	171.284	3.224	30	20	AGED	
C=CCCN(C(CC)CC)C1CC1	394267003	RDQJRJBIBDKRKA-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C1CCC(=NNCC2CCCC2)CC1	808005661	IVZBJZKGNCSHTG-UHFFFAOYSA-N	194.322	3.086	30	20	AGED	
C[C@H]1CCCC[C@@H]1C=NOC1CCC1	812235772	QGAKZOOKJYFCQZ-WDEREUQCSA-N	195.306	3.368	30	20	AGED	
CCCCN(C)CCCC(C)(C)C#N	83642679	JXDMJNZMVYYGSS-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)c1ccccc1	124851741	GQUMJZCKNVXLIZ-RYUDHWBXSA-N	189.302	3.302	30	20	AGED	
C=C(C)CNc1c(C)cccc1F	135093619	JKLJXSKKDNPXJH-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@@H](C)C1	308648813	JETXGZOVRYLNDA-MROQNXINSA-N	195.350	3.365	30	20	AGED	
C=C(C)CNC[C@@H]1C(C)=CCC[C@H]1C	308653935	MSTHWFFYFHQMLE-CHWSQXEVSA-N	193.334	3.145	30	20	AGED	
C=CC[C@@H](C)NCC(C(C)C)C(C)C	379506024	WFEHIROPJYTJLJ-GFCCVEGCSA-N	197.366	3.469	30	20	AGED	
C=CC[C@@H](CC)N[C@@H](CC)C1CC1	388846475	ZONCJMBFGJFCKA-NEPJUHHUSA-N	181.323	3.119	30	20	AGED	
C=CCC[C@H](CC)NC[C@@H]1C[C@H]1CC	648731996	KTKCLROGYBGHCE-AGIUHOORSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN1C[C@H]2CCCC[C@H]2C1	650017389	ONUBYIRDXOBTFF-BETUJISGSA-N	193.334	3.075	30	20	AGED	
C=CCC[C@@H](C)N[C@@H]1C[C@H]1CC(C)C	657016663	WOAPJJJWNGHXBC-JHJVBQTASA-N	195.350	3.365	30	20	AGED	
C=CCCN1CC[C@@H](C)C2(CCC2)C1	678469365	RMJRCJOFPSIWOT-GFCCVEGCSA-N	193.334	3.075	30	20	AGED	
CCCON=C1CCC[C@H]1C(C)C	842555311	VYHNGOIUTZZIQI-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=C(Cl)CSCCCCF	307301769	USIMVOBLBPCYTQ-UHFFFAOYSA-N	182.691	3.222	30	20	AGED	
CC[C@H](C)CON=CC1CCCC1	308306368	OQBFCKYMHDKWOU-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=CC[C@@H](CC)N[C@@H]1CCC[C@@H]2C[C@@H]21	393789813	YAEPDAZMJBHCGL-FVCCEPFGSA-N	193.334	3.119	30	20	AGED	
C=C(C)COC(=O)/C=C(\C)C(C)(C)C	744040222	JUANPKTZBJDJNH-JXMROGBWSA-N	196.290	3.098	30	20	AGED	
CC[C@H](C)NN=C1C[C@@H](C)C[C@@H](C)C1	790184710	ZVOFSEFWXCJESS-AXFHLTTASA-N	196.338	3.187	30	20	AGED	
C=C(Cl)CN1[C@@H](C)CCC1(C)C	839616306	SJWVNTQNTOCUCK-VIFPVBQESA-N	187.714	3.002	30	20	AGED	
CC[C@@H]1C[C@H]1CSCC1(C#N)CC1	1350622710	FUROEFSCMMJRFF-ZJUUUORDSA-N	195.331	3.069	30	20	AGED	
C#C[C@H](NCCCC(C)C)C(C)(C)C	308541701	UVQQXFRHZZBIBV-LBPRGKRZSA-N	195.350	3.060	30	20	AGED	
CC(C)=CCCSCC1(C#N)CC1	596417659	LAXSFEGLXYPPQH-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCC1CC=CC1	624076110	HUXDQMBRXBHZJQ-NEPJUHHUSA-N	193.334	3.143	30	20	AGED	
C=C(CC)COC(=O)C[C@H](C)CCC	773502768	LYVUYONTWLBGKB-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
C=CCCCOC(=O)/C(C)=C(\C)CC	780219764	NOKHXIVXOBJRRP-ZHACJKMWSA-N	196.290	3.242	30	20	AGED	
CC[C@H](C)NN=C1CCC(C)(C)CC1	790190466	VVAULXZKMFWPTH-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CCC(=NOCCC1CC1)[C@@H]1C[C@@H]1C	841640437	JYKTVQQOWQNNGN-GXSJLCMTSA-N	195.306	3.225	30	20	AGED	
CC(C)C[C@H](C)CON=CC1CC1	853736101	LMKZTGZQJGOZLD-JTQLQIEISA-N	183.295	3.081	30	20	AGED	
C#CCN(C)CCCCCCCCC	918741711	NYRTXTOENVIINK-UHFFFAOYSA-N	195.350	3.302	30	20	AGED	
CCCC[C@@H](CC)CN(C)CCC#N	43455086	RZDNFYAEAQDVAP-GFCCVEGCSA-N	196.338	3.048	30	20	AGED	
C=C(CC)COc1ccccc1C	85071467	JWPDTGVLBYDDHD-UHFFFAOYSA-N	176.259	3.340	30	20	AGED	
C=C(C)CN(CC)CCC(C)(C)C	308485952	PDKGDFBVEUGOKN-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CCC[C@@H](CCC)NCCCC#N	379647571	ZPMSTOGOLMLZBN-GFCCVEGCSA-N	194.322	3.015	30	20	AGED	
C[C@@H]1CCCC[C@@H]1CSCCC#N	594904029	ZXXUTESGGHDHFL-GHMZBOCLSA-N	197.347	3.460	30	20	AGED	
C=CC1CCN(CCC(C)(C)C)CC1	602874183	MORMIIVJJKHQRP-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC/C=C/CC	648716716	MJCSNANIACBOST-ADYIUWEDSA-N	181.323	3.143	30	20	AGED	
CON=C(CC(C)C)c1ccccc1	767493209	YHVPHMLGXUMSEF-UHFFFAOYSA-N	191.274	3.083	30	20	AGED	
CCCCCC(C)=NOCCC	842566120	UPXWFNJHWXMGFL-UHFFFAOYSA-N	171.284	3.369	30	20	AGED	
C=C[C@H](C)ON=C1CC(C)(C)C[C@@H]1C	844626466	WCZYZYLLYIZWTI-UWVGGRQHSA-N	195.306	3.390	30	20	AGED	
CC(C)(C)ON=C1CC[C@@H]1C1CCC1	1117703842	GQKPKURZDRRXFA-SNVBAGLBSA-N	195.306	3.368	30	20	AGED	
C[C@H]1C[C@H](C(C)(C)C=O)CC[C@H]1C	306450284	CCYYZKPXGMNUCX-OUAUKWLOSA-N	182.307	3.284	30	20	AGED	
C=C(CC)CN1CCC[C@@H](C)CC1	306685396	IXHURLZRDCJQNR-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCCSCC1CCC1	306764178	VDGBLQTYSONHLY-UHFFFAOYSA-N	156.294	3.096	30	20	AGED	
CCCC[C@H](C)N(C)CCCCC#N	393691083	TZFSFCWLNCVBQZ-LBPRGKRZSA-N	196.338	3.191	30	20	AGED	
C=CCSCCC=C(C)C	596338851	ZHVNDQBVABADGI-UHFFFAOYSA-N	156.294	3.262	30	20	AGED	
C=CCC(CC=C)C(=O)O[C@H](C)CC	758517028	LCVBSXSMYZJRAO-SNVBAGLBSA-N	196.290	3.097	30	20	AGED	
C=C(C)COC(=O)[C@H](C)C(CC)CC	761491776	RGMKQXHJZXNRMI-SNVBAGLBSA-N	198.306	3.178	30	20	AGED	
C=C(CC)COC(=O)CCC1CCC1	773533082	SLZLMLMWURUVRJ-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC[C@@H](C)CON=C(C)c1ccco1	793146457	SADQLKXMLBYYRH-SECBINFHSA-N	195.262	3.066	30	20	AGED	
C=C(Cl)CN(C)CCC(C)(C)C	829929081	QQAZBECXRVCPIJ-UHFFFAOYSA-N	189.730	3.107	30	20	AGED	
C=CCON=C(CC)C1CCCC1	835016229	XATFTIHFNSSMNL-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
CC(C)SCCCC(C)(C)C#N	83642798	ZYWDOILMQVCDKE-UHFFFAOYSA-N	185.336	3.458	30	20	AGED	
O=CC1(CC2CCCC2)CCCC1	306337571	VBWRWHLEZKIBGW-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=CCCCCN[C@H](C)c1ccoc1	389264747	HYUFZLCITYMNTI-LLVKDONJSA-N	193.290	3.287	30	20	AGED	
C=CCN(C)c1cccc(C(C)C)c1	620128068	XMGYBSODWNCSHB-UHFFFAOYSA-N	189.302	3.432	30	20	AGED	
C=CCCCCCN1CC[C@H](CC)C1	683782442	QMGQSVLQKJXILH-ZDUSSCGKSA-N	195.350	3.465	30	20	AGED	
C[C@@H](S)c1csc(Cl)c1	235303574	XEDWFGCCYHMTQR-SCSAIBSYSA-N	178.709	3.392	30	20	AGED	
C=CCCCCCN(C)CCC#CC	680884420	XKMDAWSTCGFVDW-UHFFFAOYSA-N	193.334	3.078	30	20	AGED	
C=C(C)CON=C[C@H]1CCCC[C@@H]1C	844618629	YZQHFNFFDJFAOA-NWDGAFQWSA-N	195.306	3.391	30	20	AGED	
C=CCCN[C@H](C)CCCC(C)C	70591921	KWYGLBZCZNQYET-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C=CCCCCC[C@H](C)NCC	70743903	WQSZGYSQTNGJDJ-NSHDSACASA-N	169.312	3.121	30	20	AGED	
CCCN(CCC)CCC(C)(C)C#N	83640486	QBDJJUYIVMHQLV-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)c1ccc(C)o1	161647584	DIUKMLLCRGLEBG-MWLCHTKSSA-N	193.290	3.203	30	20	AGED	
C=CCC[C@H](C)NC[C@H]1CCC[C@H]1C	300239455	ABNBOQAFVRHCSI-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
C=CCCCN1C[C@@H](C)C[C@H]1CC	308376513	SKNOUSRCZRBBQA-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CCCNN=C1CC[C@@H](C)C[C@@H]1CC	769569001	CTXNHBYBTUOLPM-MNOVXSKESA-N	196.338	3.188	30	20	AGED	
C=C(Cl)COc1ccccc1C	70233651	UXGLQBIOUODYDS-UHFFFAOYSA-N	182.650	3.126	30	20	AGED	
C=C[C@H](C)NCc1cc(C)sc1C	131321012	QAPBNBCGFKEIFY-QMMMGPOBSA-N	195.331	3.029	30	20	AGED	
CC(C)CCCS[C@H](C#N)C1CC1	601081031	XKXNNLJGMIHFSB-LLVKDONJSA-N	197.347	3.458	30	20	AGED	
CCCNN=C(C)C1C(C)(C)C1(C)C	746565511	QENGGMZAOLIWFS-UHFFFAOYSA-N	196.338	3.044	30	20	AGED	
CCCCC[C@@H](C)N[C@@H](CC)CC#N	42570194	IQXLDQHEAFMJBG-NEPJUHHUSA-N	196.338	3.237	30	20	AGED	
CC(C)C[C@@]1(C=O)CC[C@@H](C)C1	306195657	IWGKTLGZKZGGLS-MNOVXSKESA-N	168.280	3.038	30	20	AGED	
C=CCN(C)C1CCCCCCC1	307709858	NOYIOYFFXQNWHB-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=CC[C@H](CC)Nc1cccc(C)n1	308541737	UWJGMLDTJAEUBQ-NSHDSACASA-N	190.290	3.157	30	20	AGED	
CC#CCNc1cccc(C2CCC2)c1	308974238	GDFMLBFPHTZQNM-UHFFFAOYSA-N	199.297	3.389	30	20	AGED	
C=CCC[C@H](C)NCc1occc1C	379619740	CVVPQWRWTKDNDW-NSHDSACASA-N	193.290	3.032	30	20	AGED	
C=C(C)CN(C)[C@H]1C=CCCCCC1	670991503	JZMWLXQSLHYGQB-ZDUSSCGKSA-N	193.334	3.383	30	20	AGED	
CCC(CC)=NNc1ccccc1F	812458619	HHALQMXWYKHOGS-UHFFFAOYSA-N	194.253	3.414	30	20	AGED	
C=CCCn1ccc2ccccc21	34529014	RJSZLQFLDNHLEZ-UHFFFAOYSA-N	171.243	3.217	30	20	AGED	
CC(C)[C@@H](C)SCCCC#N	231193613	KPLFCHOGTQWUPL-SECBINFHSA-N	171.309	3.068	30	20	AGED	
C=CCCCCN[C@@H](C)[C@H](C)CC	308164552	YSTSZSVSTGKRBP-NEPJUHHUSA-N	183.339	3.367	30	20	AGED	
C=CCCCSCCCCC#N	379323428	PXKYQMRXMRVHJG-UHFFFAOYSA-N	183.320	3.380	30	20	AGED	
C[C@@H]1CCCC[C@@H]1CON=C1CCC1	853669661	LQIJQTNMFBEGEJ-GHMZBOCLSA-N	195.306	3.369	30	20	AGED	
C=C(CC)CN[C@H](CC)C1CCC1	324892210	MLWIGMVSUZAVOH-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
CC(C)[C@H](C)S[C@@H]1CC[C@@H](C#N)C1	590726933	OIBLVUIDLJFQQL-HBNTYKKESA-N	197.347	3.456	30	20	AGED	
CCCC(CC)=NNC1CCCCC1	786043244	LPOCOVGBRHXFEV-UHFFFAOYSA-N	196.338	3.475	30	20	AGED	
O/N=C(\Cl)CCCc1ccccc1	1857775779	IBMGBFQZQAFCLY-BENRWUELSA-N	197.665	3.036	30	20	AGED	
C=CCNc1ccc(C(C)C)cc1	41571766	QIUKROBZWQZYSW-UHFFFAOYSA-N	175.275	3.408	30	20	AGED	
C=CCCCOc1ccc(F)cc1C	129324311	OCDBLKVJKQFKST-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
C=C[C@@H](C)NCc1ccc(Cl)cc1	130456595	ZNMTZQBTHAAMII-SECBINFHSA-N	195.693	3.004	30	20	AGED	
C=CCCSCCSCC	306996229	SASHVGHYJZRKGM-UHFFFAOYSA-N	176.350	3.049	30	20	AGED	
CCCCCC=NNC1CCCC1	308210273	FZCKDIWEXQROGA-UHFFFAOYSA-N	182.311	3.085	30	20	AGED	
C=CCC[C@@H](C)N[C@@H](CC)C1CC1	324196572	SBIBJEJPEZAPBW-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
C=CC[C@@H](CC)NC(=O)CCCCC	684939781	VYTGVORIATZUTL-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
CC[C@@H](C)NN=C1CCCCC1(C)C	790183201	PSKWROJURYIEOY-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
C=CCCCN(C(C)C)C1CCC1	308146272	LTHZLQFZJITOTH-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)CCC=C(C)C	308252471	IJVFBGRMUHOPHX-NEPJUHHUSA-N	181.323	3.285	30	20	AGED	
C(=NOC1CCCC1)C1CCCC1	308335274	NRIREQCJHOZFPK-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=CCC(C)(C)CNC[C@H](C)CC	310590622	YYEJGHFEVIMMEH-LLVKDONJSA-N	183.339	3.224	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCC[C@H]1CC	385083128	ZHEZQWNCPJGCAT-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=C(C)c1ccccc1C1(C#N)CC1	592988902	JHFGJOXOTHPKQL-UHFFFAOYSA-N	183.254	3.275	30	20	AGED	
C=C[C@H](C)ON=CCCCCC	844622118	UWYMUDBTXUYVIS-JTQLQIEISA-N	169.268	3.144	30	20	AGED	
C#CCCCCCCNC1CCCC1	876885327	MFCOHVUMSQNZPC-UHFFFAOYSA-N	193.334	3.102	30	20	AGED	
Cc1cc(C)c(CCCC=O)c(C)c1	70738848	GBRIGQYSSNJOAW-UHFFFAOYSA-N	190.286	3.133	30	20	AGED	
C=CCC[C@@H](C)N[C@H](C)CCC	126694718	VFAGQBCRWJWQQQ-GHMZBOCLSA-N	169.312	3.119	30	20	AGED	
C=C(CC)CNC[C@H](C)C(C)(C)C	162855150	DEVDBSCDXHLYBO-NSHDSACASA-N	183.339	3.224	30	20	AGED	
CC[C@H](S)c1ccsc1	306802456	TWVLWUNSKCGNEG-ZETCQYMHSA-N	158.291	3.129	30	20	AGED	
CC(C)(C)ON=CC1CCCCC1	308149896	NVEFSNURSMXVED-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
CC(C)CNN=C1CCC[C@H](C)[C@H]1C	781124288	CUNRVZOVAZJHOI-WDEREUQCSA-N	196.338	3.044	30	20	AGED	
CC(C)ON=C1CCC12CCCC2	835003489	URVNBZPSJWGMNJ-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@H]1CCF	844626234	RZNUZUQSZKBWQL-UWVGGRQHSA-N	199.269	3.093	30	20	AGED	
C=C(C)CNc1ccc(F)cc1C	49137908	RZVZCFVIOAULKX-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=C(Cl)CN1CCC2(CCCC2)C1	307710089	ONNAUCLMLXGWBK-UHFFFAOYSA-N	199.725	3.005	30	20	AGED	
CC(C)CCCSCC1(C#N)CC1	308172168	ZXTCUOQRKZBCGT-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=CCC[C@H](CC)N[C@H](CC)CC#N	388817114	HPAYJLLAZSLQCH-NWDGAFQWSA-N	194.322	3.013	30	20	AGED	
C=C(CC)CN1[C@H]2CC[C@H]1CC(C)C2	662129942	OQQHDCQRALPLSY-STQMWFEESA-N	193.334	3.216	30	20	AGED	
C=CCCOc1ccccc1Cl	84437878	QNEKMGFCHRRHBX-UHFFFAOYSA-N	182.650	3.295	30	20	AGED	
C#Cc1cc(-c2ccccc2)cs1	145316847	KXMBJRLKXTZJTI-UHFFFAOYSA-N	184.263	3.396	30	20	AGED	
N#CCCSCC1CCCCC1	308084103	LYNAXVBEXZUBLF-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
CC(C)C[C@H](C)SCCC#N	591133009	YCWCOFDWSGINNU-VIFPVBQESA-N	171.309	3.068	30	20	AGED	
C=CCCCOC(=O)C1(CC)CCC1	751749206	UFFLDZINRZTAOR-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCCN[C@@H]1CCCC[C@H]1CC	70591903	GDQDTALBZYXFDQ-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
CCCCCCCN[C@@H](CC)CC#N	107599754	IUORZCYJKPLBNY-LBPRGKRZSA-N	196.338	3.239	30	20	AGED	
C=CCCN1CCC[C@@H]1C(C)(C)C	308283979	YCSCYZYQEYDRED-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CN(CC1CCC1)C(C)C	683527559	HPCFIAVTCFKPDT-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
CC(=O)/C=C/c1cc(Cl)cs1	86334679	QQWNYFHKDJNBGZ-NSCUHMNNSA-N	186.663	3.004	30	20	AGED	
C=CCC[C@@H](C)N[C@H](C)C1CCC1	164639562	CNVZROCJHFCGSD-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C=CCC(C)(C)CN[C@@H](C)CCC	310374677	ZCFQPBKBPJKZSG-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=CCCC[C@H](C)N[C@H](C)C(C)C	381970760	BRLTXAMDFKQCDR-NWDGAFQWSA-N	183.339	3.365	30	20	AGED	
C[C@H]1CCC(=NN[C@H](C)C(C)(C)C)C1	814937969	SSWPITOZZKDWRF-VHSXEESVSA-N	196.338	3.187	30	20	AGED	
C=CCON=C[C@@H]1CCCC(C)(C)C1	835013289	PQIZLHUCWVNMRR-LLVKDONJSA-N	195.306	3.391	30	20	AGED	
C=C[C@H](C)ON=C1CC2(CCCC2)C1	901261974	SLPUFWFUJIKILD-JTQLQIEISA-N	193.290	3.288	30	20	AGED	
C=C(C)CN[C@H]1CCC(C)(C)C[C@H]1C	160650487	WPNXMFXJTAPQEN-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CCCSc1cccc(OC)c1	201253772	JTWFTKUATSHYBG-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
C=CCCCCN[C@@H]1CCC[C@@H]2C[C@@H]21	308514356	ULMYEZWCELKOTQ-FRRDWIJNSA-N	193.334	3.121	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NC1(C(C)C)CC1	393908548	QCWNTOLWADBZHR-NEPJUHHUSA-N	195.350	3.365	30	20	AGED	
CC(CC(C)(C)C)=NOC1CCC1	834978967	KDYHDKLEJBALIK-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=C(C)CN(CC)c1ccccc1	59619630	KFIVNCZRQPINMB-UHFFFAOYSA-N	175.275	3.089	30	20	AGED	
C=CCCCNc1ccc(C)cc1	70591459	XJNUUSWOSAXHHD-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C=C(C)CCN[C@H](C)CC(C)(C)C	384676670	SFLDMMPGPIIXNC-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=CCCSCc1ccc(C)nc1	594559050	LBLBEPAMYKKJEK-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
CC(C)ON=C1CCC[C@H]1C(C)C	835001651	YSEJYDOZMSZTPQ-JTQLQIEISA-N	183.295	3.224	30	20	AGED	
C=C[C@@H](C)ON=C1CCC(C)CC1	844624370	WWJFPISZYYEIFL-QVDQXJPCSA-N	181.279	3.144	30	20	AGED	
CCCCSCC1(CC#N)CC1	83862448	YMOPXBPPLZAPFF-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C#CCCCN[C@H](C)CCCC(C)C	160883925	LKLHVHTVXCLLAC-CYBMUJFWSA-N	195.350	3.204	30	20	AGED	
C=CCC[C@@H](C)NCC1(C2CC2)CC1	230668987	KPYRRZNNEXIPFY-LLVKDONJSA-N	193.334	3.121	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)[C@@H]1C[C@H]1C	321922475	RGLVZWRGFRPDTL-IJLUTSLNSA-N	195.350	3.223	30	20	AGED	
CC(C)(C)C#Cc1nccc2occc12	585143823	ORBDHJHPIWKUNF-UHFFFAOYSA-N	199.253	3.225	30	20	AGED	
Cc1occc1S[C@@H](C)CCC#N	591128837	JPYDICTXLOFOKU-QMMMGPOBSA-N	195.287	3.372	30	20	AGED	
CC[C@H](C)NN=C[C@@H]1CCCC[C@@H]1C	790182913	NJCGPPDWZZCMCI-SRVKXCTJSA-N	196.338	3.187	30	20	AGED	
CCC(=NOCC(C)C)[C@@H]1C[C@@H]1C	841633459	ORKSFGGTADLTOA-VHSXEESVSA-N	183.295	3.081	30	20	AGED	
C=C[C@@H](C)ON=C1CC[C@@H]1C1CCC1	844619852	DZKNDGKQTPPKLL-MWLCHTKSSA-N	193.290	3.144	30	20	AGED	
C=C[C@@H](C)ON=C1CCCCCC1	844624739	ZNTSRRXFTCPWPI-SNVBAGLBSA-N	181.279	3.288	30	20	AGED	
C=CCC1(C=O)CCCCCCC1	137307007	YSFHOAPWQUPEDB-UHFFFAOYSA-N	180.291	3.492	30	20	AGED	
C#CCCCCN[C@H](C)CCC(C)C	222289884	CIGILKPPDNFQBF-CYBMUJFWSA-N	195.350	3.204	30	20	AGED	
CC(C)C[C@@H](C)C=NOC(C)(C)C	388838163	XUAFAZFDLISCJD-SNVBAGLBSA-N	185.311	3.470	30	20	AGED	
C=C[C@H](C)NC[C@@H]1C(C)=CCC[C@H]1C	389264732	HYESSMUPCMDGEQ-FRRDWIJNSA-N	193.334	3.143	30	20	AGED	
CC[C@H](C)CN(CC)[C@H](C)CCC#N	591015758	UGCWOQYPTKIXNX-NWDGAFQWSA-N	196.338	3.047	30	20	AGED	
C=CCON=C[C@@H]1CCC[C@H](C)C1	835013255	NWGDHAKNLFDFJN-WDEREUQCSA-N	181.279	3.001	30	20	AGED	
CC(C)CC[C@H](S)C1CC1	306864168	KUYAOISXNNFXPK-VIFPVBQESA-N	158.310	3.131	30	20	AGED	
CC(C)[C@@H](C)S[C@@H](C#N)C1CC1	601079180	XGSARTUXJDBIHB-SCZZXKLOSA-N	183.320	3.066	30	20	AGED	
O=CCCCc1cccc2ccccc12	70738928	RIEYVSPLMBEGOX-UHFFFAOYSA-N	198.265	3.361	30	20	AGED	
CC(C)Nc1cc(C#N)ccc1Cl	83824088	VYPZELKUJVONBH-UHFFFAOYSA-N	194.665	3.032	30	20	AGED	
C=C(C)CCN(C)[C@H]1CCCC[C@H]1C	682031747	STHPBPCOQMYNMW-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C[C@@H]1CCC(=NOC2CCC2)[C@H](C)C1	812235339	SNDLUSMKKLMLFI-NXEZZACHSA-N	195.306	3.368	30	20	AGED	
C=CCCN[C@@H]1CCCCC[C@@H]1C	83949116	SHCZYFNOCLIROL-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C#CC1CCC(C(C)C)CC1	168226986	OKRJUYHCWDYCBM-UHFFFAOYSA-N	150.265	3.082	30	20	AGED	
C#C[C@H](C)N[C@@H](C)CCCCCC=C	308651537	KURWGFYUVPNBFL-STQMWFEESA-N	193.334	3.123	30	20	AGED	
C=C(CC)CN1CCC[C@@H]1C(C)C	379358747	WHWZNQXOAYPUIX-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=C[C@H](C)ON=C(C)CC(C)(C)C	844620766	PFVAXKQLFZTONC-JTQLQIEISA-N	183.295	3.390	30	20	AGED	
N#CCCCSc1cccc(F)c1	87111991	PNPFCCXROWLMFT-UHFFFAOYSA-N	195.262	3.222	30	20	AGED	
C=C(Cl)CN1CCC[C@H]2CCC[C@H]21	307321364	QGYGJXAXYPKXBX-GHMZBOCLSA-N	199.725	3.003	30	20	AGED	
C=CCN1CC[C@H](C)[C@H]2CCCC[C@@H]21	613416437	UTAMAFFRKANMGV-XQQFMLRXSA-N	193.334	3.073	30	20	AGED	
C=C[C@H](C)ON=C1C[C@H](C)CC[C@H]1C	844620346	JZQGVGVVRXLKBV-MXWKQRLJSA-N	195.306	3.390	30	20	AGED	
CC#CCOc1ccccc1C(C)C	82865341	UVZJQQMAWXOFNF-UHFFFAOYSA-N	188.270	3.212	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCC(C)(C)C1	164445452	QZOKBEGEYIYZQG-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	166018569	RXBNTMPIXYZXSK-MROQNXINSA-N	195.350	3.365	30	20	AGED	
CCCCCCCCCn1ccnn1	203085365	NVPQRQSSCNMDEY-UHFFFAOYSA-N	195.310	3.029	30	20	AGED	
C=CC[C@@H](C)NC[C@H](C)CC(C)C	300836349	CPGDFCYRLHFUNZ-VXGBXAGGSA-N	183.339	3.223	30	20	AGED	
O=CC1(Cc2cccs2)CCCC1	306461186	FXJXMGPAONBFIG-UHFFFAOYSA-N	194.299	3.050	30	20	AGED	
O=C[C@]1(CC2CCCC2)CCCS1	306735449	WDPVZBVHURYPRS-LLVKDONJSA-N	198.331	3.031	30	20	AGED	
C=CC(C)(C)CN[C@H](CC)C(C)C	385000416	VNTVELWLGWQRPI-LLVKDONJSA-N	183.339	3.223	30	20	AGED	
C[C@@H]1CCC[C@@H](CSCCC#N)C1	591133804	ZDDIOYMHOQLPGH-GHMZBOCLSA-N	197.347	3.460	30	20	AGED	
C=C(C)CN1CCC[C@@H](C)[C@H]1CCC	608566552	MAJZTTOJSRNLMN-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C(C)CNc1cccc(Cl)c1F	49137981	DQXWFNIWIURBEJ-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCCNc1ccccc1OCC	70591256	HNMHSNULHWHQSW-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=C[C@H](C)N[C@H]1CCCC(C)(C)C1	157433108	SGZTZQGZSWLBAW-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCN[C@H]1CCC[C@H](C)C1	168956206	OXSTXVHHASGUQN-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
CC(C)[C@]1(C=O)CCC[C@H](C)C1	307566762	OSROWDRCQAAVTJ-WDEREUQCSA-N	168.280	3.038	30	20	AGED	
C[C@H]1CCC(=NNCCC(C)(C)C)C1	814902369	TWNXTHCSMRSKDM-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@@H]1CC	844622049	SXNJNKYISMNLBY-UWVGGRQHSA-N	181.279	3.144	30	20	AGED	
N#CCCCSc1cccs1	20078167	PDMQQPUNQKGFTF-UHFFFAOYSA-N	183.301	3.144	30	20	AGED	
C=CCCCSCC(=C)C	307214503	RUBMLZZPXJNKSP-UHFFFAOYSA-N	156.294	3.262	30	20	AGED	
C=CC[C@H](CC)Nc1ccnc(C)c1	308498158	FCNSXHPWEWUPSD-NSHDSACASA-N	190.290	3.157	30	20	AGED	
C=CCCNc1ccc(C)c(F)c1	70591421	YPBVEYUNTKHPCU-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=CCCCNc1ccc(OC)cc1	70591463	MENIDRMCANOIQT-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
CCCCCCC#C[C@@H]1CCC[C@H]1O	196021014	RVXLGDGFHRKARU-CHWSQXEVSA-N	194.318	3.121	30	20	AGED	
C#CCSC(CC)(CC)CC	379200389	YLCBHXASWIGIQB-UHFFFAOYSA-N	170.321	3.322	30	20	AGED	
C=CCC(C)(C)CN[C@@H](CC)C1CC1	380034355	QAEAIOAXVGNRMK-LBPRGKRZSA-N	195.350	3.367	30	20	AGED	
C=CCCOC(=O)[C@@H](CC)CCCC	729072328	IJVZACISJXQJEU-NSHDSACASA-N	198.306	3.322	30	20	AGED	
C#CCCCNc1cccc(Cl)c1	161047271	HXMHAAAVXRRFQF-UHFFFAOYSA-N	193.677	3.165	30	20	AGED	
CCC[C@@H](C)[C@@H](CC)NCCCC#N	308752553	UXQVJZQCRMDUCC-VXGBXAGGSA-N	196.338	3.095	30	20	AGED	
C=CCC[C@H](CCC)NCCCC#N	379647576	ZPMSTOGOLMLZBN-LBPRGKRZSA-N	194.322	3.015	30	20	AGED	
C=CCCCN1CC(C)(C)C[C@@H]1C	665221257	ZFLVCEDPQZUTND-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=CCCN1CC[C@@H]1c1ccccc1	674005793	PFCAOXACUDEGDE-CYBMUJFWSA-N	187.286	3.010	30	20	AGED	
CCN(C[C@H](C)CCC#N)C(C)(C)C	1349627321	ZJBMATZPXAKKDI-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
CC[C@@H](C#N)Sc1cccc(C)c1	43557702	XPWQSLAUPITGRZ-JTQLQIEISA-N	191.299	3.389	30	20	AGED	
C=CC[C@]1(O)C[C@@H](C)CC(C)(C)C1	78675701	KZFXQYPCFAVZPH-JQWIXIFHSA-N	182.307	3.140	30	20	AGED	
C#CCCNc1ccccc1C(C)C	82496764	KSHIWKIZKIKRCJ-UHFFFAOYSA-N	187.286	3.245	30	20	AGED	
C[C@@H]1CC[C@@H](C=NOC(C)(C)C)C1	379395437	ZLXRJQVFZNMTBP-NXEZZACHSA-N	183.295	3.224	30	20	AGED	
C=C(CC)CN[C@H]1CC[C@@H]1C1CCC1	648840284	RYZWIYIYSPQPQQ-OLZOCXBDSA-N	193.334	3.121	30	20	AGED	
C=CC[C@H](C)[C@@H](C)N[C@]1(C)CC1(C)C	658308385	PHOYREHEJNFJEV-DMDPSCGWSA-N	195.350	3.365	30	20	AGED	
C[C@@H]1CCCC[C@H]1CON=C1CCC1	853669662	LQIJQTNMFBEGEJ-MNOVXSKESA-N	195.306	3.369	30	20	AGED	
C[C@H](ON=CC1CC1)c1ccccc1	902763986	QJDDUOWWDJJVGZ-JTQLQIEISA-N	189.258	3.160	30	20	AGED	
C=CCNc1cc(Cl)ccc1C	50521746	MOIYVSCEROAPPS-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
C=C(C)CSc1cccc(O)c1	126973629	NVQMOVAMZYPRMS-UHFFFAOYSA-N	180.272	3.060	30	20	AGED	
C=CCCCCN[C@H](CC)[C@H]1C[C@H]1C	322094839	XAGRAWXPSBICEY-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)[C@H](C)CC	384980455	QQDXLRQXLGRLQO-MNOVXSKESA-N	183.339	3.223	30	20	AGED	
C=CCCCCN1CC[C@H]2CCC[C@@H]21	649457287	MYCIOHFQSDBHAH-OLZOCXBDSA-N	193.334	3.217	30	20	AGED	
C=CCNc1ccccc1NC(C)C	871846101	QZQGRSXZMDSMSI-UHFFFAOYSA-N	190.290	3.105	30	20	AGED	
C=CCCN[C@H]1CCC(C)(C)C[C@H]1C	168501876	OWPIIQOEMQGMCY-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
CSc1ccccc1N=[N+]=[N-]	238429431	KYLGTBOGPWJNMH-UHFFFAOYSA-N	165.221	3.350	30	20	AGED	
C#C[C@H](N[C@H](C)CCCCC)C(C)C	301017242	ZYGIODTURDYZJS-OLZOCXBDSA-N	195.350	3.203	30	20	AGED	
C#CCNc1cc(C)c(Cl)c(C)c1	306174232	LXBRWMPQAKJHTP-UHFFFAOYSA-N	193.677	3.002	30	20	AGED	
CCCC(=NOCC)c1ccsc1	308373622	RDJZWVNHUBQNJY-UHFFFAOYSA-N	197.303	3.289	30	20	AGED	
C=C(CC)CN1CCC[C@@H]2CCC[C@@H]21	678624720	MREDBNZPRGRQPG-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=CCN(C)C[C@@H]1C(C)=CCC[C@@H]1C	682407067	WQVAGTOEAXSBFO-QWHCGFSZSA-N	193.334	3.097	30	20	AGED	
CCC(=NOC1CCC1)[C@H]1CC1(C)C	841640400	ZIZNCPHRNHFSBT-SNVBAGLBSA-N	195.306	3.368	30	20	AGED	
C=C(C)CNc1cc(C)cc(F)c1	85730768	RGTCNDLFRLNIOA-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
CC(C)[C@H](C)SCCCC#N	231193625	KPLFCHOGTQWUPL-VIFPVBQESA-N	171.309	3.068	30	20	AGED	
C=C(Cl)COc1ccc(C)c(C)c1	306295551	ZWDVTKCOVPDJRJ-UHFFFAOYSA-N	196.677	3.435	30	20	AGED	
C=CCC[C@H](C)NCC1CC(C)(C)C1	379609249	SAVDKIIZBXYIPP-NSHDSACASA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](C)N[C@@H](CC)CC=C	388845008	ZEZROTZLQLKEDV-NEPJUHHUSA-N	181.323	3.285	30	20	AGED	
CC1(C)CCC[C@H]([C@@H]2C[C@@H]2C=O)C1	521401342	XLFWBVNWIBODHU-AXFHLTTASA-N	180.291	3.038	30	20	AGED	
C=C[C@H]1CCCCN1CC1=CCCC1	645894004	SKNMAFVUYKMQCO-ZDUSSCGKSA-N	191.318	3.137	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCC=C(C)C	308152770	PGUVEROYOHZRKL-NEPJUHHUSA-N	181.323	3.143	30	20	AGED	
C=C(CC)CN(C)[C@@H]1CCC[C@H](C)C1	678623301	NGWDXJNQENQISR-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=CCCCC(=O)O[C@H](C)CC(C)C	749028737	MCXXCSRUJQOPBP-LLVKDONJSA-N	198.306	3.321	30	20	AGED	
CC[C@@H](C)CC=NOC/C=C/Cl	834980228	VRICAYXTGWBYRP-NHECUGSNSA-N	189.686	3.178	30	20	AGED	
CCSc1ccc(Cl)cc1C#N	52859935	BCDYDWKFWMHQSG-UHFFFAOYSA-N	197.690	3.324	30	20	AGED	
C=C(C)COc1cc(C)ccc1F	82940226	SKFLNIALWLCORD-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
C=CCC1(NCC(=C)C)CCCCC1	625936271	FYIWFEHXRCGLMJ-UHFFFAOYSA-N	193.334	3.431	30	20	AGED	
CCC(=NNCC(C)C)[C@@H]1CC1(C)C	841630525	HNIWFOGZSQWQJK-JTQLQIEISA-N	196.338	3.044	30	20	AGED	
CCCON=C1CC[C@H](C)C[C@H]1C	842554589	QIXUIGNELYPUII-VHSXEESVSA-N	183.295	3.225	30	20	AGED	
C#CCCOc1cc(C)ccc1Cl	82494099	WGFJBQSRMAPOTL-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
C=CC(C)(C)CN[C@H](C)[C@H](C)CC	384980454	QQDXLRQXLGRLQO-GHMZBOCLSA-N	183.339	3.223	30	20	AGED	
C=CCCCCCN1CCCCC1	388715289	QQPVLDBLWJPTEY-UHFFFAOYSA-N	181.323	3.219	30	20	AGED	
C=CCCCCNCc1ccc(C)o1	389326093	SYXOATNUEJBOIY-UHFFFAOYSA-N	193.290	3.034	30	20	AGED	
C=CCCCN[C@@H]1CCCC12CCC2	394783067	IHRQEIVOCNFGPP-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
C=CCN(CC=C(C)C)C(C)(C)C	661755646	WYIDSZXWIXWRHE-UHFFFAOYSA-N	181.323	3.239	30	20	AGED	
CC(C[C@@H](C)CC(C)C)=NNC1CC1	758126963	JSAGECKGAWSNDQ-JTQLQIEISA-N	196.338	3.187	30	20	AGED	
CC[C@@H]1CCCCC1=NNCC(C)C	779786378	QKRCFWGCLRUJCU-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
CC(C)CON=C1CCCC12CCC2	834966462	OFDCBURSUJCCIN-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CCCCCCCn1cnc(C)c1C	125686012	YPKXZIAPOKITBP-UHFFFAOYSA-N	194.322	3.470	30	20	AGED	
C=CCC[C@@H](C)N[C@@H](C)CCC	126694935	VFAGQBCRWJWQQQ-WDEREUQCSA-N	169.312	3.119	30	20	AGED	
CC[C@@H]1CCC[C@H](C2(C=O)CC2)C1	306215937	JROSBVWGFBTEKT-MNOVXSKESA-N	180.291	3.182	30	20	AGED	
C=C(CC)CN1CCCCCCC1	306428520	MSVAENRMWXFXRP-UHFFFAOYSA-N	181.323	3.219	30	20	AGED	
CC[C@](C)(C=O)[C@H]1CCC[C@H](C)C1	307152600	YQRCXJOSYWSYFF-SDDRHHMPSA-N	182.307	3.428	30	20	AGED	
C=C(C)CN(C)[C@@H]1CCC[C@@H](C)C1	307752388	RLGCCDLHCTZACY-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=CCCSCc1ncccc1C	308378453	OXCJYFATSNLSOB-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=CCCCCCN(CC)CCC	379367764	VYSOAROLCUNNHT-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
CCC(CC)CSCCCC#N	596381361	WIKVQKXKMHQLTA-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C=CC(C)(C)CNc1ncc(C)s1	649430974	IGFYJPJAXFJQLA-UHFFFAOYSA-N	196.319	3.076	30	20	AGED	
C=CCCN1CC[C@H](C)C2(CCC2)C1	678469366	RMJRCJOFPSIWOT-LBPRGKRZSA-N	193.334	3.075	30	20	AGED	
C=CCCCCOC(=O)CC(C)(C)C	811011115	MYOXSNHAVPXMSL-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=C[C@@H](C)Nc1ccnc2ccccc12	130624962	DUYSVZBQATXFKE-SNVBAGLBSA-N	198.269	3.221	30	20	AGED	
CCCCCCCC[S@@](=O)CC	146777026	OBEZKSPNIWCNFE-GFCCVEGCSA-N	190.352	3.116	30	20	AGED	
C#C[C@@H](C)N[C@@H](C)CCCCCCC	166493823	UZFFODWWHLZPLB-OLZOCXBDSA-N	195.350	3.347	30	20	AGED	
C=CCCCCCN(C)CCCC	379382537	JBKGVRCCAAIXOU-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
C=CCC(C)(C)C(=O)O[C@H](C)CCC	796461513	KBCKXDCPNBOVGG-SNVBAGLBSA-N	198.306	3.321	30	20	AGED	
C=CCC[C@@H](CC)NCc1ccoc1	166765947	UBOLTJMVMYUFQE-GFCCVEGCSA-N	193.290	3.114	30	20	AGED	
C#C[C@H](CC)N[C@H](CC)C[C@@H](C)CC	229892691	XMKTYHWIFMBHEG-YNEHKIRRSA-N	195.350	3.203	30	20	AGED	
CC[C@H]1CCC[C@@H](CS)C1	307280904	GGXRNBIPWUBOQY-DTWKUNHWSA-N	158.310	3.133	30	20	AGED	
C=CC[C@@H](C)NC1CCC2(CC1)CC2	308567554	IOJMDGKTBXLIPB-LLVKDONJSA-N	193.334	3.263	30	20	AGED	
C=CCC(C)(C)CN[C@H](C)C(C)C	310587841	WUNXGQQWMZUTEJ-LLVKDONJSA-N	183.339	3.223	30	20	AGED	
CC(C)CCC=NOC1CCCC1	378857832	LXGXJBSHCNNEKL-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
CC[C@@H](C)CN(CC)[C@@H](C)CCC#N	591015757	UGCWOQYPTKIXNX-NEPJUHHUSA-N	196.338	3.047	30	20	AGED	
C=C[C@@H](C)NC(=O)CCCCCCC	757014510	YQOPOIMNXCVOJW-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
C=CCCCCCOC(=O)CCCC	782009298	ZRMVKNCJZMPIIA-UHFFFAOYSA-N	198.306	3.466	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@H](C)[C@H]1C	790183867	WLAUKHFFEHEQAT-GARJFASQSA-N	196.338	3.187	30	20	AGED	
C[C@H]1CCCC1=NN1CCCC[C@@H]1C	853381175	XVZDKTAGYQEIER-QWRGUYRKSA-N	194.322	3.037	30	20	AGED	
C=CCCCC(=O)NC(C)(C)CCC	748530042	OTUBITLAYFTGJW-UHFFFAOYSA-N	197.322	3.038	30	20	AGED	
C=CCCN[C@H](C)c1ccc(C)cc1	70592039	RXNKULAURDKVJW-GFCCVEGCSA-N	189.302	3.222	30	20	AGED	
C=CCC[C@H](C)N[C@H](C)[C@@H](C)CC	126671668	VNPMCEIDHVOADI-SDDRHHMPSA-N	183.339	3.365	30	20	AGED	
C=CC[C@H](C)NC[C@@H]1CCC[C@H](C)C1	161243011	HDCQXFMGUJWOLF-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=CCNc1ccccc1OCCC	308496782	DLEPUZKQJRDUAZ-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=C(CC)CN1[C@@H](C)CC[C@@H]1CC	379398500	UTYHQFSTFKTJOO-RYUDHWBXSA-N	181.323	3.216	30	20	AGED	
CCCNN=C(CCC(C)C)C1CC1	802707686	CPQSLFXODSORJR-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CCC[C@H](C)C1	306184505	PXVFDGOQGMZALK-SRVKXCTJSA-N	182.307	3.428	30	20	AGED	
C=CCCN(C)[C@@H]1CCCC[C@H]1C	308334571	NALBXKQLOOALDV-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=CCCN[C@]1(C)CCCC[C@@H]1C	308711032	OCLWIQURGYURHS-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN(C1CC1)[C@H](C)[C@H](C)CC	591475409	RSQGEIROJUYGPA-VXGBXAGGSA-N	195.350	3.462	30	20	AGED	
C=CCCC[C@H](C)NC(=O)CCCC	678881855	XSQUHQOPHSNLCO-NSHDSACASA-N	197.322	3.038	30	20	AGED	
O=CCC[C@H]1CCCc2ccccc21	82583164	OGJDKQLFBDKVRB-GFCCVEGCSA-N	188.270	3.086	30	20	AGED	
CCCCCCCNC[C@H]1C[C@@H]1C	166828558	WCVAQJVSSOSXPY-NWDGAFQWSA-N	183.339	3.202	30	20	AGED	
C#CCCCSCCCCC	231635295	UDXLIQKBUXZDRY-UHFFFAOYSA-N	170.321	3.323	30	20	AGED	
CC(C)=CCC[C@@H](C)NCCCC#N	308664735	RXUHTNDTBWBGOJ-GFCCVEGCSA-N	194.322	3.015	30	20	AGED	
C=CCCCCNC1CC2(CCC2)C1	656547921	IOCCSKNNIFUDCQ-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=CCCOC(=O)[C@H](CCC)C(C)C	763857616	RWFRBOLBYHRVKT-LLVKDONJSA-N	198.306	3.178	30	20	AGED	
CC[C@H](C)NN=C1C[C@H](C)CC[C@@H]1C	834972783	JKHMDCGKCNPHBL-VWYCJHECSA-N	196.338	3.187	30	20	AGED	
C=CCON=C1CCC[C@@H]1C(C)C	835013399	RGOWLGOGQAUKEK-SNVBAGLBSA-N	181.279	3.001	30	20	AGED	
CCCON=C1CCCCC1(C)C	842557579	PHHGKJCXILMPGZ-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CCC(C)=NN[C@@H](C)c1ccccc1	920386109	QDNHYPOKJYLUJM-NSHDSACASA-N	190.290	3.123	30	20	AGED	
C=C(C)CCN1[C@H](C)CCC[C@H]1C	306166854	UNFZUROMISLFIR-VXGBXAGGSA-N	181.323	3.216	30	20	AGED	
CC(C)(C)CS[C@H]1CC[C@@H](C#N)C1	336255235	CXTKCFTXGYTWNP-ZJUUUORDSA-N	197.347	3.458	30	20	AGED	
C=CCCC(CC)=NOCC1CC1	379383868	LSXMKJKICFAJPB-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CCCCCn1ccnc1CCC	649519342	RUHYEEGYXJPYGU-UHFFFAOYSA-N	192.306	3.192	30	20	AGED	
C=C(Cl)CN(CC)C1CCCC1	388506822	PDBGZBGVOZCUES-UHFFFAOYSA-N	187.714	3.003	30	20	AGED	
CC[C@H](C)NN=C1CCCCC1(C)C	790183199	PSKWROJURYIEOY-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CCC(CC)=NNCC1(C)CCCC1	793083706	FZIZMJARDMSDDV-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CCCON=C1C[C@@H](C)C[C@@H](C)C1	842553661	KEOVJFRKCPYQBV-AOOOYVTPSA-N	183.295	3.225	30	20	AGED	
C=C(C)CON=C(C)CCCCC#N	844621160	UVVJEKIVRPGHAG-UHFFFAOYSA-N	194.278	3.039	30	20	AGED	
C[C@@H](CC#N)N(C)CCCC(C)(C)C	300771873	HRBJXIJFWJAQHF-NSHDSACASA-N	196.338	3.047	30	20	AGED	
C#CCCCN(C(CC)CC)C1CC1	766895542	LGCRULRKCIAWKQ-UHFFFAOYSA-N	193.334	3.053	30	20	AGED	
C=CCCC(=O)O[C@H]1CCCC1(C)C	799483100	KRMLYEYTPWBXRF-JTQLQIEISA-N	196.290	3.075	30	20	AGED	
C=CCCCSCc1ccncc1	901631199	SZCWRLQWCJGHED-UHFFFAOYSA-N	193.315	3.281	30	20	AGED	
C=CCCCNc1cccc(F)c1F	70591819	RXVLAZYQGOXJDK-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC[C@@H](CC)C1	157274478	WXSBUDCHPYIKIP-TUAOUCFPSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN1CC[C@H]1c1ccccc1	335914349	ZNSRYSCBEFXNNN-ZDUSSCGKSA-N	187.286	3.010	30	20	AGED	
CC(C)(C=O)CC1CC(C)(C)C1	575623550	ZLIYLAGOGJORAM-UHFFFAOYSA-N	168.280	3.038	30	20	AGED	
C=CCCNC[C@@H]1C(C)=CCC[C@H]1C	657583105	ZTAZIFQDIAKWKD-CHWSQXEVSA-N	193.334	3.145	30	20	AGED	
CCC1(C)CCC(=NNC2CC2)CC1	758133749	UDAZWQRCXNSLPW-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC(C)CON=C[C@H]1CCCC[C@H]1C	783857132	TVQRAGDJHKYZKO-VXGBXAGGSA-N	197.322	3.471	30	20	AGED	
C=CCC[C@H](CC)N[C@H]1C=CCC1	850511060	YTQWWQQNVBCJTR-RYUDHWBXSA-N	179.307	3.039	30	20	AGED	
C[C@@H](SCCC#N)c1ccccc1	58256569	ORBKUYQSCMEZQT-SNVBAGLBSA-N	191.299	3.394	30	20	AGED	
C=C(C)c1ccc(OC)cc1C	220763732	TYDLIHXUBRDVLI-UHFFFAOYSA-N	162.232	3.037	30	20	AGED	
C=C(CC)CN[C@@H]1CC[C@H](C)C[C@H]1C	251228930	PRXWTRPWAYZXMX-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
CC#CCOc1cc(C)ccc1Cl	306163902	UPUHAXNOPKCNGU-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
CC[C@H]1CCCC[C@H]1C1(C=O)CC1	306257331	PNOVHGPIMSAISJ-WDEREUQCSA-N	180.291	3.182	30	20	AGED	
CCC(CC)=NOC[C@H](C)CC	307964697	ZZCMEFKMIMNEGF-SECBINFHSA-N	171.284	3.225	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC[C@@H](C)C1	308298728	KZMZSFSNVKOVAI-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
CCON=CC1CCC(C)(C)CC1	308311090	RPOSXMXCSYVIDA-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=C(CC)CN1CC[C@H](C)[C@@H]1CC	308417089	NLEJAMQMIJSGHJ-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
CC[C@@H](CC#N)NCCCC(C)(C)C	313450112	ZGPNAYQMQOWNNR-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CCC[C@@H](C)NC1(C(C)C)CC1	382098598	FRCTXSMHCDNVSC-LLVKDONJSA-N	181.323	3.119	30	20	AGED	
C(CCC1CC1)=NNc1ccccc1	807942874	YKSMAMAKDYGZRC-UHFFFAOYSA-N	188.274	3.275	30	20	AGED	
C=CCON=C(CCC(C)C)C1CC1	835013302	QARHCUJSYNKATP-UHFFFAOYSA-N	195.306	3.391	30	20	AGED	
N#CCCSCCC(F)=C(F)F	863346619	LZCCMUHKDLHEOL-UHFFFAOYSA-N	195.209	3.101	30	20	AGED	
C=CCCCCNc1ccccc1	38292712	IRMMYCRXGNVFQR-UHFFFAOYSA-N	175.275	3.455	30	20	AGED	
C=CC[C@H](C)NC1CCC(C)CC1	126891250	YBFUUNVILAIBHC-CXQJBGSLSA-N	181.323	3.119	30	20	AGED	
C=C(CC)CNc1nc(C)c(C)s1	306416316	WGGRWPLSINHVCW-UHFFFAOYSA-N	196.319	3.138	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)CC(C)C	385019042	ZMOVAOCSRUXZKV-NSHDSACASA-N	183.339	3.223	30	20	AGED	
C#C[C@@H](CC)N[C@@H](CCC)CCC=C	389291916	ZSSLJHPLVPNHKR-STQMWFEESA-N	193.334	3.123	30	20	AGED	
C=C(C)Cn1ccc(-c2ccccc2)n1	678480039	WQEBWHUKKUFETR-UHFFFAOYSA-N	198.269	3.126	30	20	AGED	
C=CCNc1cccc(Cl)c1C	50521757	ABLNYMQGIYUQOU-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
C#CC(C)(C)CCCC=C	206374396	RHVUVCDDGXSMBO-UHFFFAOYSA-N	136.238	3.002	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCCCC[C@H]1C	300332705	GVCJITQDNZBDPO-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=CCCNC(C1CCC1)C1CCC1	308459067	FQWWQNAOZWREAU-UHFFFAOYSA-N	193.334	3.121	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1csc(C)c1	381671577	BZZMEBARLCOWPH-PSASIEDQSA-N	195.331	3.282	30	20	AGED	
CC(C)(C#N)CCSC1CCC1	590739864	OFBLBLVDYOHJDB-UHFFFAOYSA-N	183.320	3.212	30	20	AGED	
C=CCCCCN1CC[C@@H](C)[C@@H]1C	649338719	JNJWTOLYAMBSRN-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
CC(CCCC(C)C)=NNCC(C)C	771565925	AEWWHXHBQOUMAL-UHFFFAOYSA-N	198.354	3.434	30	20	AGED	
C#CCCCN[C@@H](C)CCCCC=C	823949215	DETYISUOXHXZOR-ZDUSSCGKSA-N	193.334	3.124	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@@H](C)[C@H]1C	168064945	LCPFSZQJDXKPGE-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
CC[C@H](C)CS[C@@H](C#N)CC	232040718	XLQOBSNTBMWCDH-DTWKUNHWSA-N	171.309	3.068	30	20	AGED	
C=CCC[C@H](CC)N[C@H]1CC1(C)C	379355712	AXADUZBOHRJMHG-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
CCC(C=NOC[C@H](C)CC)CC	379405492	UDYUFBJEGOQLPD-SNVBAGLBSA-N	185.311	3.471	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CCC1(C)C	388616845	AYACYNINJHBSJA-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C=CCCCN1CCC[C@@H](CC)CC1	605151286	LXCDGTYLRYMNJO-CYBMUJFWSA-N	195.350	3.465	30	20	AGED	
C=CCCCN1CCC2(CCCC2)C1	743864559	KROLCEKVNZPSFG-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
CC(C)ON=C1CCC[C@@H](C2CC2)C1	835001657	YXULBRKLASPKNW-LLVKDONJSA-N	195.306	3.368	30	20	AGED	
CC[C@@H](C)NN=C1CCCCC[C@H]1C	844593416	PXQZFCWTEDWWRP-GHMZBOCLSA-N	196.338	3.331	30	20	AGED	
CON=C(C)c1cccc(C(C)C)c1	863079723	YCJHISGVHXHIMS-UHFFFAOYSA-N	191.274	3.180	30	20	AGED	
C=CCN1CCC[C@H]1[C@@H](C)CCC	308222801	LWYAJSWVCUOILT-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCC[C@H](N[C@@H](C)CC)C1CC1	651176783	BSWGQFQTQCTCHM-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
C=CCCC(=O)OCCC1CCCC1	733690770	UXBZRUWXARPMFE-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC(C)ON=C1CC[C@@H](C)[C@H](C)C1	835003682	YBLKBUWQLZYBMG-NXEZZACHSA-N	183.295	3.224	30	20	AGED	
C=C[C@@H](C)ON=C(C)CC1CCC1	844622085	ULAQIPUHKBZSBQ-SNVBAGLBSA-N	181.279	3.144	30	20	AGED	
C=CCCC(CC)=NO[C@@H](C)C=C	844625204	PUCGQOGGUJGAHS-JTQLQIEISA-N	181.279	3.310	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@@H]1CCF	844626235	RZNUZUQSZKBWQL-VHSXEESVSA-N	199.269	3.093	30	20	AGED	
C[C@@]1(c2cccc3ccccc23)CO1	36459160	CTROMVDPOVCOIK-ZDUSSCGKSA-N	184.238	3.085	30	20	AGED	
CCCCCCCCCn1cncn1	111223895	RCYGLJWIMLIQEM-UHFFFAOYSA-N	195.310	3.029	30	20	AGED	
C=CCOc1cccc2ccc(C)nc12	141824596	NBPZVPIDTQNJFH-UHFFFAOYSA-N	199.253	3.108	30	20	AGED	
C[C@H]1CC[C@](C=O)(CC2CCC2)C1	306636726	BCXPLIPCWOJKFD-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)c1ccoc1	384925792	GHVSSZUUWKODKU-JTQLQIEISA-N	193.290	3.142	30	20	AGED	
C=CC(C)(C)CN[C@H](C)[C@@H](C)CC	384980458	QQDXLRQXLGRLQO-WDEREUQCSA-N	183.339	3.223	30	20	AGED	
C=CCCCCN1CCC[C@@H]1C1CC1	649284364	OQOSASTYELCCEO-CYBMUJFWSA-N	193.334	3.217	30	20	AGED	
CC(C)(C)SCSCCC#N	871676340	SABDWGDOYZHBJM-UHFFFAOYSA-N	189.349	3.122	30	20	AGED	
CC[C@H](C#N)Nc1cc(C)ccc1C	43539397	FLNGWHJDJDGEJD-LLVKDONJSA-N	188.274	3.018	30	20	AGED	
C#CCCCOc1cccc(CC)c1	75421161	XTZAZCLGFDPTAR-UHFFFAOYSA-N	188.270	3.041	30	20	AGED	
C=CCC[C@@H](C)NC(C1CC1)C1CC1	126672606	LDUNYVOBBFETDS-SNVBAGLBSA-N	193.334	3.119	30	20	AGED	
CC(C)[C@@H](C)[C@@]1(C=O)CC[C@@H](C)C1	306531181	FDPLHJBMIBYWLK-UTUOFQBUSA-N	182.307	3.284	30	20	AGED	
CCCC(CCC)=NN[C@H](C)CC	379398861	FXCQVKZIYUZWMT-SNVBAGLBSA-N	184.327	3.331	30	20	AGED	
C=CC[C@@H](C)C(C)=NOC(C)(C)C	379405525	UFQVTDKOEDEHMJ-SECBINFHSA-N	183.295	3.390	30	20	AGED	
C=C(C)CN(CC(C)C)CC(C)C	388789646	LQTNPMLZOZLQFH-UHFFFAOYSA-N	183.339	3.177	30	20	AGED	
C=C(C)CN(C)Cc1cccc(C)c1	613506144	WWOMGZUIJGGJCN-UHFFFAOYSA-N	189.302	3.003	30	20	AGED	
C=CCCN1CCC[C@H](C(C)(C)C)C1	684628455	PDGJUJKFICZQTL-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
C=C[C@](C)(CC)C(=O)OC1CCCC1	785757461	KBRAJVONDQXZSH-GFCCVEGCSA-N	196.290	3.075	30	20	AGED	
CC[C@H](C)NN=C1CC[C@H](C)C[C@@H]1C	790189521	OOAHGYCXWAXALT-DCAQKATOSA-N	196.338	3.187	30	20	AGED	
C=CCCCN[C@@H]1CC[C@@H](C)C[C@H]1C	70592493	LEGHYBOAHJTCBK-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)c1cccs1	161676571	WOLOHOPKQGKJDJ-NXEZZACHSA-N	195.331	3.363	30	20	AGED	
C=C(C)c1cccc([C@H]2CCCN2)c1	212092496	KGPFWZNIPBHQKU-CYBMUJFWSA-N	187.286	3.144	30	20	AGED	
C#CCCCCNC(CCC)CCC	222285795	HJMDKTMNOBVGNN-UHFFFAOYSA-N	195.350	3.348	30	20	AGED	
C=CCCCSc1nc(C)co1	379333737	MXUBHTLQQZUKGC-UHFFFAOYSA-N	183.276	3.041	30	20	AGED	
CCCC(CC)=NNC1CCCC1	379399953	HWRSSVDTHJJGMZ-UHFFFAOYSA-N	182.311	3.085	30	20	AGED	
C=C(C)CN(C)CC1CCCCC1	388632459	LJYGDQIIBQBSNI-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CCC(CC)NN=C1CCC[C@@H]1CC	758371664	YSUSXJNGVNNABR-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CC(C)CON=C[C@H]1CCCC[C@@H]1C	783857130	TVQRAGDJHKYZKO-NWDGAFQWSA-N	197.322	3.471	30	20	AGED	
C=CCC(C)(C)C(=O)OC(CC)CC	796454996	KEWFUYULUXXOGG-UHFFFAOYSA-N	198.306	3.321	30	20	AGED	
C[C@@H]1CC[C@@H](C=NOCC2CCC2)C1	853440835	JWMDWCGGMGZPBX-ZYHUDNBSSA-N	195.306	3.225	30	20	AGED	
CCON=C(C)c1ccc(C)c(C)c1	767465224	VVIJNCXDWKOZMP-UHFFFAOYSA-N	191.274	3.064	30	20	AGED	
C#CCON=C(C)CCCCCC=C	812236401	ODDRNJIGPNANGG-UHFFFAOYSA-N	193.290	3.149	30	20	AGED	
C=CCCCC[C@@H](C)N[C@@H]1C=CCC1	850509504	RBHZNBDBGVGGFS-CHWSQXEVSA-N	193.334	3.430	30	20	AGED	
C=CCCSC(CC)CC	307685058	XLOXYSYCXJIYRK-UHFFFAOYSA-N	158.310	3.484	30	20	AGED	
C=CCC[C@H](C)N[C@@H](CC)C1CC1	324196571	SBIBJEJPEZAPBW-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
N#Cc1ccc(NCC2=CCCC2)cc1	401140412	YESFGLDFYBZGQX-UHFFFAOYSA-N	198.269	3.080	30	20	AGED	
C=CCCCC[C@H](C)N[C@H](C)CF	648589128	SBORIJINOXILDU-WDEREUQCSA-N	187.302	3.069	30	20	AGED	
C=C(CC)CN[C@@H]1CC[C@@H]1C1CCC1	648840283	RYZWIYIYSPQPQQ-CHWSQXEVSA-N	193.334	3.121	30	20	AGED	
C=CCCCC(=O)OCC1CCCC1	748228602	ZTPQAROKCORZPO-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(C)CCOC(=O)C1(CCC)CC1	761232990	FOVURNUGCHVIPQ-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCCCOC(=O)C(C)(C)C(C)C	784329713	WUGGDPNIFAXYPR-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
C=CCC(C)(C)C(=O)OCCC(=C)C	796455000	KNSLZTUJIQUNKH-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
C=C(C)CN[C@H]1CCCC[C@@H]1CC	51753471	AVUCIUVVQVYMLE-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
CCCCCCCN[C@@H](C)CC	59088538	VQCCDSKKXUNOAT-NSHDSACASA-N	171.328	3.345	30	20	AGED	
C=C(C)CCNC1CCC(C)CC1	168947686	COUNPBORKJGQKF-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
CCCC[C@@H](CC)CN[C@@H](C)CC#N	219411233	WRHQWESPDNAXEK-NWDGAFQWSA-N	196.338	3.095	30	20	AGED	
C=CCNc1cccc(C)c1Cl	300757489	DTAPHFWQJJOXRW-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
CCCC[C@H](C)[C@@H](C)NCCCC#N	308566265	ATOGGHJYNWWTPH-NWDGAFQWSA-N	196.338	3.095	30	20	AGED	
C=CCCc1noc([C@@H](C)CCC)n1	651357688	VVRYRPANZGZGRB-VIFPVBQESA-N	194.278	3.092	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1ccc(CC)o1	122997235	JJIXICIDEMWMQM-ZJUUUORDSA-N	193.290	3.067	30	20	AGED	
C=C[C@H](C)N[C@H](CC)CCCC	157287785	JPXPHFAXJVTQRE-WDEREUQCSA-N	169.312	3.119	30	20	AGED	
C=C(C)CS[C@H](C)C(C)C	306474962	PDNPPBPCJLYSDK-SECBINFHSA-N	158.310	3.340	30	20	AGED	
C=CCSCC/C=C\CC	307842799	YLJIXGSMILKQJP-WAYWQWQTSA-N	156.294	3.262	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCC[C@@H]1CC	385083127	ZHEZQWNCPJGCAT-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=C(CC)CN1CC[C@@H]2CCCC[C@@H]21	645954869	ZYBZNZJGNGONHS-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C[C@H]1CCCC1=NN1CCCC[C@H]1C	853381176	XVZDKTAGYQEIER-WDEREUQCSA-N	194.322	3.037	30	20	AGED	
CC(C)SCc1ccc(C#N)cc1	37685632	OLFMVWIVLFKLNW-UHFFFAOYSA-N	191.299	3.200	30	20	AGED	
C=CCCSCCCSC	223683366	NRVXQQKFVDPHMI-UHFFFAOYSA-N	176.350	3.049	30	20	AGED	
C#C[C@@H](CC)N[C@H](C)CCCCCC	229519641	DEORNGBOJFWZOE-OLZOCXBDSA-N	195.350	3.347	30	20	AGED	
C[C@@H]1CC[C@@H](C(C)(C)C=O)C[C@H]1C	306450282	CCYYZKPXGMNUCX-GMTAPVOTSA-N	182.307	3.284	30	20	AGED	
C=CCC[C@H](CC)N[C@@H](CC)CC#N	388817116	HPAYJLLAZSLQCH-RYUDHWBXSA-N	194.322	3.013	30	20	AGED	
C=CCCCCCN(C)CC1CCC1	608497636	NAMMDIVXKWLGJM-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C[C@@H]1CCC[C@@H](C=NOCC2CC2)C1	814244548	ZKNIKHAWHMKHHC-ZYHUDNBSSA-N	195.306	3.225	30	20	AGED	
CCCCCCN(C)CC(C)(C)C#N	814669285	PNQDBDLQKRCLQF-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
CC(CCCCC#N)=NOCC(C)C	841633069	NAPZDUBSPSRQBS-UHFFFAOYSA-N	196.294	3.119	30	20	AGED	
CC[C@H](C)CC=NOCC1CCC1	853440912	OXAIPEWTKSMHOC-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=C(C)C(C)(C)c1nnc(C(C)C)o1	1349965251	NXABXVDAYXCZIN-UHFFFAOYSA-N	194.278	3.047	30	20	AGED	
C=CCC[C@H](O)c1ccccc1Cl	70593847	GNTDXCQJLFPYCP-NSHDSACASA-N	196.677	3.340	30	20	AGED	
O=CC1(C/C=C/Cl)CCCCC1	306334698	JCSDAULLPBJPOV-XBXARRHUSA-N	186.682	3.278	30	20	AGED	
C[C@@H]1CCCC[C@]1(C=O)C1CCC1	307602313	WJUQXJWPDMEMKK-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=CCCCN1CCC[C@H]1C(C)C	379386858	ZAEPMPFUJJPDQZ-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN(C)[C@@H]1C=CCCCCC1	670991502	JZMWLXQSLHYGQB-CYBMUJFWSA-N	193.334	3.383	30	20	AGED	
CCC(CC)CNN=C1C=C(C)CC1	774471518	KUIBLISWNYTWTK-UHFFFAOYSA-N	194.322	3.108	30	20	AGED	
C#CCCCNc1ccc(C)cc1C	161046591	QCMAKEWCLSXXMZ-UHFFFAOYSA-N	187.286	3.129	30	20	AGED	
C=C(C)CC[C@@]1(C)CCC[C@@]1(C)O	306301692	LOFGSMYVRKXVJD-VXGBXAGGSA-N	182.307	3.284	30	20	AGED	
C=C(Cl)CN1CCC[C@@H]2CCC[C@@H]21	307321366	QGYGJXAXYPKXBX-QWRGUYRKSA-N	199.725	3.003	30	20	AGED	
C=CCCCSC/C=C\C	307841490	WUJWHQHKDNKHAE-XQRVVYSFSA-N	156.294	3.262	30	20	AGED	
C=CCCCN[C@@H](CC)C1CCC1	322296892	STCRHAVKSKDVHE-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=CCCN(CCCCC)C(C)C	388248174	URQODNXFVWAJPV-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
C=CC[C@H](C)C(C)=NOC1CCC1	388735889	WNODSADLCNHPKG-VIFPVBQESA-N	181.279	3.144	30	20	AGED	
C#C[C@@H](CC)N[C@H](CCC)CCC=C	389291913	ZSSLJHPLVPNHKR-QWHCGFSZSA-N	193.334	3.123	30	20	AGED	
C=C(CC)CSCC1(C#N)CCC1	591388910	XASGQEVRPAUXJZ-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
C[C@@H](ON=CC1CC1)c1ccccc1	902763987	QJDDUOWWDJJVGZ-SNVBAGLBSA-N	189.258	3.160	30	20	AGED	
C=CC[C@@H](CC)N[C@H]1C[C@H]2CC[C@H]1C2	394274569	BOFABNKZZDNEDR-RVMXOQNASA-N	193.334	3.119	30	20	AGED	
CC#CCCSCC1=CCCC1	592461663	UTKDYUOVIBZSMB-UHFFFAOYSA-N	180.316	3.243	30	20	AGED	
C=CCC[C@@H](C)NC1(C2CCC2)CC1	649810363	HTWKGZRSDMRAGH-LLVKDONJSA-N	193.334	3.263	30	20	AGED	
C=C(C)CON=C(CC)[C@H]1C[C@H]1C	844620718	ZPXSFDUAPZMALN-ZJUUUORDSA-N	181.279	3.001	30	20	AGED	
O=C(/C=C\c1ccccc1)c1ccco1	32016839	QHSCPZNCMULPEF-HJWRWDBZSA-N	198.221	3.176	30	20	AGED	
C=C(Cl)C[C@H]1CCCC[C@@]1(C)O	104836919	HXNYGWJFNJYFNG-NXEZZACHSA-N	188.698	3.070	30	20	AGED	
C=C(CC)CN1CCC2(CCCC2)C1	773432476	QFALFJCLXFADLP-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
COc1ccc2c(c1)[C@H](S)CCC2	31889813	BYYRYQUTKDQPKE-LLVKDONJSA-N	194.299	3.002	30	20	AGED	
C=CCNc1cccc(F)c1Cl	307208232	JEXLLVMWPJKWIR-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C=CCCCC(=O)OC(CC)CC	308244959	UXPFDWASXUZYKC-UHFFFAOYSA-N	184.279	3.075	30	20	AGED	
CCON=C1CCC[C@H](C(C)C)C1	308304078	MMCZMXSAEHUKHN-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=CCN(CC1CC1)C1CCCCC1	590062899	PNMRLIPCBVQBEH-UHFFFAOYSA-N	193.334	3.217	30	20	AGED	
CC[C@H](C)NN=C1CCCC(C)(C)C1	790188527	KEGDKDHYVJGFCN-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
C#CCCCNc1cc(C)cc(C)c1	161055071	DPFGOXFYBSXWCS-UHFFFAOYSA-N	187.286	3.129	30	20	AGED	
C=CCCNC(C)(C)c1cccs1	379410171	FPQGEZDPSGOJRA-UHFFFAOYSA-N	195.331	3.149	30	20	AGED	
C=C(C)CCN1CCC[C@@H]2CCC[C@H]21	681403462	KEYHVFHRBMDSEJ-QWHCGFSZSA-N	193.334	3.217	30	20	AGED	
C=C(C)CN(CC)c1cccc(C)c1	206400594	JIMDKBJEYNVQRR-UHFFFAOYSA-N	189.302	3.397	30	20	AGED	
C=CCCCCN[C@H](C)c1ccco1	379512386	ZMOMSLQSWHWUOI-LLVKDONJSA-N	193.290	3.287	30	20	AGED	
C#CCCCSC/C(C)=C\Cl	388161277	VMXYLNAJRUXMKH-CLFYSBASSA-N	188.723	3.276	30	20	AGED	
C=CCN([C@H]1C=CCCC1)C(C)(C)C	661756430	ONSXTZIBQXNABI-LBPRGKRZSA-N	193.334	3.382	30	20	AGED	
CCCCNN=C(CC)[C@@H]1CC1(C)C	841619144	KDXRAQPXYDEGQH-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CCC(=NN[C@H](C)CC)[C@H]1CC1(C)C	841636331	BKFUXOJDEZCLKV-NXEZZACHSA-N	196.338	3.187	30	20	AGED	
C=C[C@H](C)N[C@H](CC)C[C@@H](C)CC	157267282	GUGFQJSIBUONPQ-SDDRHHMPSA-N	183.339	3.365	30	20	AGED	
C#C[C@H](CC)N[C@H](C)CCCC(C)C	229519130	FZSJLPVEZHSJHZ-CHWSQXEVSA-N	195.350	3.203	30	20	AGED	
CC1CCC(C=O)(C(C)C)CC1	231166427	MURWIUCAIUZFCD-UHFFFAOYSA-N	168.280	3.038	30	20	AGED	
CC[C@H](C)CON=CC(C)(C)C	307949729	MUUHVAMYMUPNGO-VIFPVBQESA-N	171.284	3.081	30	20	AGED	
CCCNN=C(C)CCC=C(C)C	379408644	BHCHWKGAUSMQCV-UHFFFAOYSA-N	182.311	3.108	30	20	AGED	
C=CCNc1ccc(F)cc1Cl	50521821	CWOUNMXRIMWVEP-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C=CCCCCN[C@H](C)CCC	379314919	QNPLJPOZHVGAJT-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
CC/C=C/CCSCC1(C#N)CC1	388301496	NTCRBAKIBYKGQA-ONEGZZNKSA-N	195.331	3.380	30	20	AGED	
CC[C@H](C)NN=C[C@@H]1CCC[C@H](C)C1	790184523	XKYSKFFGMZUCNL-SDDRHHMPSA-N	196.338	3.187	30	20	AGED	
C#CCCCCCCNCCC(=C)C	877564554	FABCYGNRPFHJDK-UHFFFAOYSA-N	193.334	3.126	30	20	AGED	
CC(=NNCC(C)C)C1CCCCC1	916366295	SEUYPYGTJJYYCY-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CC[C@H](C)N[C@H](CC)CCC	224732283	MOAZQNVYZQXACN-WDEREUQCSA-N	169.312	3.119	30	20	AGED	
C=C(C)COc1cc(F)ccc1C	230402996	VALPAQJICTWKDW-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
C=CCNc1ccc(CC)c(C)c1	300868396	PEXNZTYRNNHHGM-UHFFFAOYSA-N	175.275	3.155	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCC12CCC2	651425960	JNYHCJYHVOVKOJ-LLVKDONJSA-N	193.334	3.121	30	20	AGED	
C=C(C)CON=CC[C@@H](C)CC	844619751	KRGFKAOYXTUYTO-JTQLQIEISA-N	169.268	3.001	30	20	AGED	
N#CC1(Cc2ccccc2)CCCC1	83775658	NJGIIUKBHLTSTR-UHFFFAOYSA-N	185.270	3.313	30	20	AGED	
CC(C)[C@@H]1CCCC[C@@H]1S	125785063	FXPDMIZSJNPDAF-IUCAKERBSA-N	158.310	3.131	30	20	AGED	
C=CC[C@@H](C)NC1CCC(C)CC1	126891486	YBFUUNVILAIBHC-MOENNCHZSA-N	181.323	3.119	30	20	AGED	
C=CCCCSCC(C)C	306442243	KIHMSTHZQBYQPY-UHFFFAOYSA-N	158.310	3.342	30	20	AGED	
C=C(C)CNC[C@H]1C(C)=CCC[C@H]1C	308653936	MSTHWFFYFHQMLE-OLZOCXBDSA-N	193.334	3.145	30	20	AGED	
C=C(CC)CN[C@@H]1CC=C(C)CC1	648840290	TYGWFPXXZPEONH-GFCCVEGCSA-N	179.307	3.041	30	20	AGED	
C=CCC1(NCC(=C)C)CCCC1	661850829	KNCYUYZHTNXCOG-UHFFFAOYSA-N	179.307	3.041	30	20	AGED	
C=CCN(C)C[C@@H]1CCC[C@H](CC)C1	681758368	VPPLEEFWTFRJCM-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)c1ccccc1	38325132	GQUMJZCKNVXLIZ-VXGBXAGGSA-N	189.302	3.302	30	20	AGED	
C=C[C@H](C)NCC(C(C)C)C(C)C	232541058	AIUPTJHRHZRWPU-NSHDSACASA-N	183.339	3.079	30	20	AGED	
CCC[C@@]1(C=O)CCC[C@@H](C)C1	306449618	AWAQTPKXGDZBNO-GHMZBOCLSA-N	168.280	3.182	30	20	AGED	
C#CCCNc1cccc(C2CCC2)c1	308822084	GWBGPDMHEBASJS-UHFFFAOYSA-N	199.297	3.389	30	20	AGED	
Cc1ccsc1[C@@H](C)S	69636448	YFCYJODJWSZWRM-ZCFIWIBFSA-N	158.291	3.047	30	20	AGED	
CCCCN(CC)CCC(C)(C)C#N	83640489	KVPNPMVUOYXEER-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
SCCCC1CCCCC1	84427303	UTIMZXCGGNFHAY-UHFFFAOYSA-N	158.310	3.277	30	20	AGED	
C=C(CC)CN(CCC)CCC	379328245	OMOIJTHMLMXXSA-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
C=CCC1(NCC(=C)Cl)CCCC1	690755196	UWQJOBMCIYBYGP-UHFFFAOYSA-N	199.725	3.217	30	20	AGED	
CC[C@H](C)NN=C1CCCCC[C@@H]1C	844593418	PXQZFCWTEDWWRP-QWRGUYRKSA-N	196.338	3.331	30	20	AGED	
C=C1CCCC=C1CCC	98177921	AQARTPUQJXNILH-UHFFFAOYSA-N	136.238	3.453	30	20	AGED	
C=CC[C@H](C)NCc1ccc(C)cc1	124249070	SGPQLXZLIGJNRH-LBPRGKRZSA-N	189.302	3.049	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1cccc(F)c1	136204003	AMLGSVKKIANWBC-UWVGGRQHSA-N	193.265	3.051	30	20	AGED	
C=CCCC[C@@H]1CCCCC[C@H]1O	71278088	GCGAKAUVTOGIBI-VXGBXAGGSA-N	182.307	3.284	30	20	AGED	
C=C(C)CCN[C@@H](CC)CCC	168980107	PXMVIDZIIRGMPH-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C[C@H](S)Cc1ccc(Cl)cc1	235565912	VXWRHXGVDKXCIS-ZETCQYMHSA-N	186.707	3.201	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CCC[C@H]1C	310539264	BRPMEJPIFUCNRQ-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CC[C@@H]1CC	378860807	PRFBOHLNUAROBV-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](C)N[C@@H]1CCC1(C)C	388603737	UFRKNEYOADWXEH-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCN(C)[C@@H]1CCC[C@@H](C)C1	681399296	QMPJNYWVUCNYCH-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C(C)CCN(C1CC1)[C@@H](C)C1CC1	681399522	WUZXFBDOLWFNCO-NSHDSACASA-N	193.334	3.216	30	20	AGED	
C=CCNc1ccc(OCCC)cc1	51785768	UAASUTCYHGCGNZ-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=C(CC)COc1ccc(Cl)nc1	87543340	MLGUKSPUYIKFSN-UHFFFAOYSA-N	197.665	3.080	30	20	AGED	
C=CCN(CC=C)CCCCCC	142102590	VHMHKWWSNJZQSL-UHFFFAOYSA-N	181.323	3.241	30	20	AGED	
C=CCN(C(C)C)C1CCCCC1	200229032	ZAWQDKADWRMYGC-UHFFFAOYSA-N	181.323	3.216	30	20	AGED	
C=C1CC(c2ccccc2COC)C1	253532984	GZGOCCVEVIOECP-UHFFFAOYSA-N	188.270	3.267	30	20	AGED	
C=C(C)CNc1cccc2cc[nH]c12	306365373	GSXGRAFYVXEOFF-UHFFFAOYSA-N	186.258	3.156	30	20	AGED	
C=CCCCN(C)[C@H](C)CCCC	308475770	LWVPABJFIPGYOA-GFCCVEGCSA-N	183.339	3.463	30	20	AGED	
C[C@H]1CCCCC1=NOC(C)(C)C	379382505	IZEOJXKUEZQDTH-VIFPVBQESA-N	183.295	3.368	30	20	AGED	
C=CCCCCN1CC[C@@H]2CCC[C@H]21	649457288	MYCIOHFQSDBHAH-QWHCGFSZSA-N	193.334	3.217	30	20	AGED	
CCON=C(C)c1cc(C)cc(C)c1	730433502	OSZMVQTUEGEQJK-UHFFFAOYSA-N	191.274	3.064	30	20	AGED	
C[C@@H]1C(=NOC2CCC2)CCC[C@H]1C	812235223	PIPKYXSAUOYVQJ-ZJUUUORDSA-N	195.306	3.368	30	20	AGED	
C=C[C@](C)(CC)c1nc(C(C)C)no1	682376010	VXSDZZJBNVHKKF-LLVKDONJSA-N	194.278	3.047	30	20	AGED	
C=CCCN(C)C[C@H]1CCCC[C@@H]1C	682436660	RZASMZYUEBRHPB-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
C=C(C)CCOC(=O)[C@H](C)CCCC	800394937	MSLSFQCTXMPFNU-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
C=CCCOc1cc(C)cc(C)c1	84437887	SBEXQUUAQKHQQJ-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
C#C[C@@H](CC)N[C@H](C)CCCC(C)C	229519120	FZSJLPVEZHSJHZ-OLZOCXBDSA-N	195.350	3.203	30	20	AGED	
C=CCCSc1ncccc1Cl	308149675	MEWAWFQOVOXGTG-UHFFFAOYSA-N	199.706	3.403	30	20	AGED	
C=CCCCCNCc1cccs1	308242280	ZHUCCSVQPQEUHI-UHFFFAOYSA-N	195.331	3.194	30	20	AGED	
C=CCC(C)(C)CN[C@H](CC)C1CC1	380034352	QAEAIOAXVGNRMK-GFCCVEGCSA-N	195.350	3.367	30	20	AGED	
C=CCCCN1CCC(C2CC2)CC1	644720094	SYSKEUQNKWLRCG-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
CCCNN=C(CCC)[C@H]1CC1(C)C	841619877	SEDUDZSLKVPKQG-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C=CCC[C@H](C)NCc1ccc(C)o1	131991307	CRBUXPHCYHHEJI-JTQLQIEISA-N	193.290	3.032	30	20	AGED	
C=C[C@H](C)NC1CCC(C(C)C)CC1	157287482	DEMVSFNQBDQYAX-HIFPTAJRSA-N	195.350	3.365	30	20	AGED	
CCON=C(C)C[C@H](C)CC(C)C	308316871	XMPVWASTAVCEOT-SNVBAGLBSA-N	185.311	3.471	30	20	AGED	
CC(C)CNN=C1CCC[C@H]1C(C)C	771566043	CUBLJBRCBMEONA-NSHDSACASA-N	196.338	3.044	30	20	AGED	
CCCON=C1CCCCC[C@H]1C	844601864	QPTBABPUYRXFOT-SNVBAGLBSA-N	183.295	3.369	30	20	AGED	
CCC(C)=NN[C@H](C)c1ccccc1	920386108	QDNHYPOKJYLUJM-LLVKDONJSA-N	190.290	3.123	30	20	AGED	
C=CCCN[C@@H](C)c1ccc(C)cc1	70592040	RXNKULAURDKVJW-LBPRGKRZSA-N	189.302	3.222	30	20	AGED	
C=C(CC)CN[C@@H](C)c1ccccc1	85056852	HEAINVWWMDDFOR-LBPRGKRZSA-N	189.302	3.303	30	20	AGED	
O=C[C@]1(C2CCCCC2)CCCS1	306721369	DSSWHJFBQTWASH-NSHDSACASA-N	198.331	3.031	30	20	AGED	
C=C(C)CN1CCC[C@H](CCC)C1	308353981	KANLKPITAHHBJP-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)c1ccoc1	308727597	HKICQIMFSDCLMD-PWSUYJOCSA-N	193.290	3.285	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NC1(C(C)C)CC1	393908557	QCWNTOLWADBZHR-VXGBXAGGSA-N	195.350	3.365	30	20	AGED	
CC(C)ON=C1C[C@H](C)C[C@@H](C)C1	835000695	QCJOFGBTUCLDBV-NXEZZACHSA-N	183.295	3.224	30	20	AGED	
CCSCCCC(C)(C)C#N	83642782	VYLACYZPVRIFGX-UHFFFAOYSA-N	171.309	3.069	30	20	AGED	
C=CCC[C@H](C)NCc1ccoc1C	389298024	HJVPYZWTERBSBI-JTQLQIEISA-N	193.290	3.032	30	20	AGED	
C=CCCCCN1C[C@@H](C)C[C@@H]1C	649320775	MYQGZVLLGHXZIJ-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CC1CCN([C@@H](C)CC(C)C)CC1	678349361	KFQMQAQSGCMSCQ-LBPRGKRZSA-N	195.350	3.319	30	20	AGED	
C=C(C)CN1CCC[C@H](C(C)(C)C)C1	684627786	JJQRQOUUIWKDEZ-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
C=CCCC(C)(C)NCCCC	717899558	QUHMBSMVVNMNHV-UHFFFAOYSA-N	169.312	3.121	30	20	AGED	
CC(C)CN(CCCCC#N)C(C)C	42582846	UFTYKRFASYAQJI-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C=CCCN(C)CC1CCCCC1	143558246	ZUCODHJATSCUPV-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)C1CCC1	308300341	LLHJSHMTLQLCKR-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
C=CCCN[C@@H](CCC(C)C)C1CC1	308510144	BPOSXLNGSNPBND-ZDUSSCGKSA-N	195.350	3.367	30	20	AGED	
CC#CCCN(CCCCC)C(C)C	680882668	LVRFQDGCANSECW-UHFFFAOYSA-N	195.350	3.300	30	20	AGED	
CCCNN=C1CCCC[C@@H]1C(C)C	764681228	FKLTXMCALYRCIC-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
CC[C@H](C)NN=C1C[C@H](C)CC[C@H]1C	834972782	JKHMDCGKCNPHBL-MXWKQRLJSA-N	196.338	3.187	30	20	AGED	
CCCON=C1CC(C)(C)C[C@@H]1C	842554902	RQZWCUROEJMOKG-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
C=C(Cl)CSC1CCCC1	306316079	QSLPPBSELPYOQN-UHFFFAOYSA-N	176.712	3.415	30	20	AGED	
C=CCC[C@H](NCC1(C)CC1)C1CC1	379613980	XGTKNZVQPAUOIC-LBPRGKRZSA-N	193.334	3.121	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCC[C@H](C)C1	384933360	HUCINHBWUNYOCL-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=C(C)COC(=O)[C@@H](C)C(CC)CC	761491774	RGMKQXHJZXNRMI-JTQLQIEISA-N	198.306	3.178	30	20	AGED	
CC(=NOCC(C)C)c1cccs1	308148420	MWZUTZNEJISYQW-UHFFFAOYSA-N	197.303	3.145	30	20	AGED	
C=CCN[C@H]1CCCC[C@H]1CCC	308395057	CSZINUZJBPCVDI-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
CC(C)=CCSCC1(C#N)CCC1	590737820	VGUJEWMFGKOXQZ-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
CC(C)CON=C1CCC12CCCC2	788721841	KIQFNHTWTDZBLX-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CCON=C(C)[C@H]1CCCC[C@H]1C	834937127	JRVKRVUQNFDOEJ-KOLCDFICSA-N	183.295	3.225	30	20	AGED	
C[C@H]1CCCCN1N=C1CC(C)(C)C1	853382152	ULAMAOOJUFUVPO-JTQLQIEISA-N	194.322	3.037	30	20	AGED	
C#CCNc1ccccc1C(C)(C)C	70559114	ZTGNWQZLMZASKS-UHFFFAOYSA-N	187.286	3.029	30	20	AGED	
C=CCN(CCC(C)C)C1CCCC1	165213736	NOTGPFHMOUVRCK-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CCC[C@@H]1C	308307588	PECATXKRSBFUHZ-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
CCCON=Cc1ccc(CC)cc1	754280560	WDFZZVYPYAUFDR-UHFFFAOYSA-N	191.274	3.010	30	20	AGED	
C=CCCc1nc([C@H](C)CCC)no1	761847946	IOJQBMRFSTXCKM-SECBINFHSA-N	194.278	3.092	30	20	AGED	
CC(C)CNN=CC1CCCCCC1	1116456792	WIQZSIYQKDDZBP-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C[C@H](C#N)c1ccccc1C(F)(F)F	37245577	FLCJXSZFOPPYFU-SSDOTTSWSA-N	199.175	3.332	30	20	AGED	
CCCCCCN(CC)C[C@H](C)C#N	44413309	IVRFJYZQHGXCHA-GFCCVEGCSA-N	196.338	3.048	30	20	AGED	
C=C(CC)CN[C@H]1CCCC1(C)C	86874304	VSZPBNAGECACDA-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CC(C)(C=O)CCCc1ccccc1	238099157	MGRPNIBCVVZSHS-UHFFFAOYSA-N	190.286	3.234	30	20	AGED	
CC#CCS[C@@H](CC)CCC	307884017	SRBDCPOIGJWSDC-JTQLQIEISA-N	170.321	3.322	30	20	AGED	
C=CCCSCCSC(C)C	307911956	XEBWTNXWIOFKQL-UHFFFAOYSA-N	190.377	3.437	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)[C@@H]1CC12CC2	527892959	IJGBCFKWXLSEJQ-WOPDTQHZSA-N	193.334	3.119	30	20	AGED	
C=C(C)CCOC(=O)/C(C)=C(/C)CC	803425395	IRBKZKLAXBLWKS-KHPPLWFESA-N	196.290	3.242	30	20	AGED	
C=C(CC)COC(=O)CC[C@H](C)CC	803881685	XFLKWKVOIZOYQH-SNVBAGLBSA-N	198.306	3.322	30	20	AGED	
C=CCON=C1CCC[C@@H]1CCCF	835013298	PUPGDYLONWJLRC-SNVBAGLBSA-N	199.269	3.095	30	20	AGED	
CCC[C@@H](C)Nc1ccc(C#N)cc1	19951597	WSWSMQOHEGIHMA-SNVBAGLBSA-N	188.274	3.159	30	20	AGED	
C#CCCCNc1ccccc1Cl	161046859	DMCNZHRLSZXPQO-UHFFFAOYSA-N	193.677	3.165	30	20	AGED	
C=C(Cl)CNC[C@@H](C)C(C)(C)C	162865236	RFYXNTNRSYQTOX-MRVPVSSYSA-N	189.730	3.011	30	20	AGED	
CCON=C(C)CCCC(F)(F)F	308304468	MVFDUZZNYMNFKP-UHFFFAOYSA-N	197.200	3.131	30	20	AGED	
CCC(CC)NN=C[C@H]1CC=CCC1	734366264	KQTAMBQIJILHMU-NSHDSACASA-N	194.322	3.107	30	20	AGED	
CC[C@@H](C)C=NOCc1ccccc1	755633591	WIHFYXMXRQIDFI-LLVKDONJSA-N	191.274	3.235	30	20	AGED	
C=CCCCC(=O)OCC(C)(C)C=C	835724948	SXXXQSBXAIVURQ-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1	252965597	RXBNTMPIXYZXSK-FVCCEPFGSA-N	195.350	3.365	30	20	AGED	
CC1CCC(C=O)(CC(F)F)CC1	306324245	GGSBIRWLJFZFIP-UHFFFAOYSA-N	190.233	3.037	30	20	AGED	
C=CCCC[C@@H](C)N[C@@H](C)CC	379336676	RWKIWERJDQPDEJ-WDEREUQCSA-N	169.312	3.119	30	20	AGED	
C=CCCN1c2ccccc2C[C@H]1C	606896565	JQFPBQSKCYYBFT-LLVKDONJSA-N	187.286	3.014	30	20	AGED	
C=C(CC)CN(CC)[C@@H](C)CC	661107470	MNVQZBIDYWOHOK-NSHDSACASA-N	169.312	3.073	30	20	AGED	
CC[C@@H](C)CC=NOC1CCCC1	834969121	SNWZMKXMBWSEHX-SNVBAGLBSA-N	183.295	3.368	30	20	AGED	
CC(C)(C#N)Cc1cccc(Cl)c1	49804140	IGJKIQKJURWHKW-UHFFFAOYSA-N	193.677	3.432	30	20	AGED	
O=CCC[C@@H]1CCCc2ccccc21	82583165	OGJDKQLFBDKVRB-LBPRGKRZSA-N	188.270	3.086	30	20	AGED	
C[C@@H]1CCCC[C@]1(C=O)CC1CC1	306471995	SLAQVJDZZVQMGE-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=C(CC)CN(CC)[C@H](C)C(C)C	308214798	IMKOEVZTQPTEOJ-GFCCVEGCSA-N	183.339	3.319	30	20	AGED	
CCCC1CCC(=NOCC)CC1	308248616	ZSPXCVVGOVEUNB-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=C/C=C/CCN[C@H](C)CCC=C	713476249	YVPXSHRBVYYKDI-WAFBPQNNSA-N	179.307	3.063	30	20	AGED	
CC[C@H](C)CC=NOC[C@H](C)CC	834981648	VKLSTHNWBCFWFN-WDEREUQCSA-N	185.311	3.471	30	20	AGED	
CC(CCC1CC1)=NOCC1CCC1	853441611	YUXBUOHXZJVDSV-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CC(=NOC(C)(C)C)c1ccccc1	1116405332	YXTCINDYNXZKKH-UHFFFAOYSA-N	191.274	3.226	30	20	AGED	
CCCC[C@@H](CC)N[C@@H](CC)CC#N	68987646	KPNJCELVJPIEGH-NEPJUHHUSA-N	196.338	3.237	30	20	AGED	
C=CCCCNC1[C@@H](C)CCC[C@@H]1C	308550800	QBLVYUIWVQJSAO-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=CCCCN[C@@H](C)CC(C)(C)C	384884652	KMGGYJLUPJEYBM-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=CC[C@H](CC)NCc1cccs1	388339844	JDRCNTIVRSFFSL-JTQLQIEISA-N	195.331	3.192	30	20	AGED	
CC[C@@H](C)CN(CC)[C@H](C)CCC#N	591015760	UGCWOQYPTKIXNX-VXGBXAGGSA-N	196.338	3.047	30	20	AGED	
FCC[C@@H]1CCCC1=NOC1CCC1	812235779	QGVMUSUUHYRIBQ-VIFPVBQESA-N	199.269	3.071	30	20	AGED	
CC(C)N(CCC#N)CCC(C)(C)C	42530825	NQQWHOXYLIFJCC-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C=CCCN(C1CC1)[C@@H](C)[C@H](C)CC	606897846	IPHPWJSVUDWZER-NEPJUHHUSA-N	195.350	3.462	30	20	AGED	
CCC(=NOC1CCCC1)[C@@H]1C[C@H]1C	841632313	VIKCCSYZNQDPMW-MWLCHTKSSA-N	195.306	3.368	30	20	AGED	
C=CCCC(CC)=NOCCC	842556663	LQYABBOMBNCSKS-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
CC[C@H]1CCC1=NN1CCCC[C@@H]1C	853381747	KOKUFQINIDGJLV-QWRGUYRKSA-N	194.322	3.037	30	20	AGED	
C=C(Cl)CN[C@H](C)CCC(C)C	70184457	ZWBFZVLDMGWLLQ-SNVBAGLBSA-N	189.730	3.153	30	20	AGED	
C=CCC[C@H](N)c1ccccc1Cl	70594832	VSNCCPWAXIXQOG-NSHDSACASA-N	195.693	3.306	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1	300237247	XRBDMLLWSNVMEC-AVGNSLFASA-N	195.350	3.365	30	20	AGED	
CCC[C@@H](S)C1CCCC1	306254239	LHMMUIMEHFUFEI-SECBINFHSA-N	158.310	3.275	30	20	AGED	
C=CCCCN1C[C@H](C)C[C@H]1CC	308376516	SKNOUSRCZRBBQA-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCCCCCC[C@H](C)NCCF	388622864	HWBSZEWAVMVBEN-NSHDSACASA-N	189.318	3.295	30	20	AGED	
C=CCCCCNCCCC(C)C	388692210	LCKRNHSAWWGRDS-UHFFFAOYSA-N	183.339	3.369	30	20	AGED	
C=CCNN=C(C)C[C@H](C)CC(C)C	794998589	NSRNCJLZMKHFSX-LLVKDONJSA-N	196.338	3.210	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)c1ccc(C)o1	161647476	DIUKMLLCRGLEBG-ONGXEEELSA-N	193.290	3.203	30	20	AGED	
CC[C@@H](S)c1ccsc1	306802455	TWVLWUNSKCGNEG-SSDOTTSWSA-N	158.291	3.129	30	20	AGED	
C=CCCN(C)[C@@H]1CCCC[C@@H]1C	308334569	NALBXKQLOOALDV-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CC#CCNc1ccc(C2CCC2)cc1	309022516	YBKRCZXZABSYBZ-UHFFFAOYSA-N	199.297	3.389	30	20	AGED	
C=C(C)CSc1ncc(C(C)C)[nH]1	629220210	GGLNKUNAYRRYQP-UHFFFAOYSA-N	196.319	3.201	30	20	AGED	
CC1(C)CCC(=NOCCC2CC2)C1	814247055	OYMQSFZNDARXNC-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=C[C@H](C)ON=C[C@H]1CCCC[C@@H]1C	844622405	YUEZEGRQWLAKFJ-SDDRHHMPSA-N	195.306	3.390	30	20	AGED	
C=CCCCC[C@@H](C)N[C@H]1C=CCC1	850509505	RBHZNBDBGVGGFS-OLZOCXBDSA-N	193.334	3.430	30	20	AGED	
C=C(C)CNc1ccccc1Cl	48936891	UNEXMMKELJPUOH-UHFFFAOYSA-N	181.666	3.328	30	20	AGED	
C[C@@]1(c2ccc3ccccc3c2)CO1	55032425	KCMRKWFUMCAKES-ZDUSSCGKSA-N	184.238	3.085	30	20	AGED	
C#CCCCNc1cccc(C)c1C	161046457	BQUNEFWEKTWGQK-UHFFFAOYSA-N	187.286	3.129	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CC[C@@H](C)C1	307096258	HJOIBPUYFJFNJI-OUAUKWLOSA-N	168.280	3.038	30	20	AGED	
CC[C@H]1CCC[C@@](C=O)(C(C)C)C1	307151164	VHONGCOYBIMYES-NWDGAFQWSA-N	182.307	3.428	30	20	AGED	
CC#CCCSCCCCC	379233073	QDBKONYFFLBVQY-UHFFFAOYSA-N	170.321	3.323	30	20	AGED	
C=CCOCCS[C@@H](C)CCC	842186321	VVMVNWAECISRAW-JTQLQIEISA-N	188.336	3.111	30	20	AGED	
C=CCCCCC[C@@H](C)NCCF	308250170	HCEASZKTLHFIMS-LLVKDONJSA-N	187.302	3.071	30	20	AGED	
C[C@@H](CCC#N)Sc1ccccc1	591124331	AMLLCTZWVKSADL-JTQLQIEISA-N	191.299	3.471	30	20	AGED	
CCCCC(C)=NOCC1CCC1	853439755	MNWYVADARQPXMO-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=CCC[C@H](C)NCc1ccccc1	90735656	QQSXKUNQPWLVBJ-LBPRGKRZSA-N	189.302	3.131	30	20	AGED	
C=CCC(C)(C)CN[C@@H](C)CC1CC1	310554162	HJHWXKSMYOSGBX-NSHDSACASA-N	195.350	3.367	30	20	AGED	
C=C(CC)CN1C[C@@H](C)C[C@@H]1CC	388607149	WBBZGXVMKGJJTL-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
Cl/C=C\CON=C[C@H]1CC=CCC1	393565145	PFJGSVTZHWSEKL-NWDHXRRDSA-N	199.681	3.098	30	20	AGED	
C=CCCCC[C@H](C)NC1CC=CC1	648480575	UBQKHVVSYPBDQE-LBPRGKRZSA-N	193.334	3.430	30	20	AGED	
C=CCON=C(CC)[C@H]1CC1(C)C	841640815	JXOAWHSWROKMCN-SECBINFHSA-N	181.279	3.001	30	20	AGED	
CCON=C1CCC(=C2CCC2)CC1	853286179	IZCFESARJSQMOR-UHFFFAOYSA-N	193.290	3.433	30	20	AGED	
C#Cc1ccccc1-c1ccccc1F	98181086	FGPAJGSZYNTPQJ-UHFFFAOYSA-N	196.224	3.474	30	20	AGED	
C=C(C)CN(C)[C@H]1CCC[C@H](C)C1	307752387	RLGCCDLHCTZACY-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C[C@@H](C#N)c1ccccc1C(F)(F)F	37245575	FLCJXSZFOPPYFU-ZETCQYMHSA-N	199.175	3.332	30	20	AGED	
C[C@@H](S)[C@H]1CC2CCC1CC2	307573568	BXNXAWPYZPMTPO-SEZDTBSWSA-N	170.321	3.131	30	20	AGED	
CCCCNN=C(CCC)CCC	308405411	JJZWASLWKTYNOS-UHFFFAOYSA-N	184.327	3.332	30	20	AGED	
C=C(C)CN1C[C@H](C)[C@@H]2CCCC[C@H]21	679863463	OZBOCSRHJQMEHG-RWMBFGLXSA-N	193.334	3.073	30	20	AGED	
O=CC1([C@@H]2C=CCCCCC2)CC1	316998085	MWQQTIBEGWCULE-LLVKDONJSA-N	178.275	3.102	30	20	AGED	
C=CCCCN[C@@H](C1CCC1)C1CC1	324961261	KEVAQYUEQSPDIJ-ZDUSSCGKSA-N	193.334	3.121	30	20	AGED	
C=CCCN1CCC[C@@H](C(C)(C)C)C1	684628454	PDGJUJKFICZQTL-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
CC(C[C@H](C)CC(C)C)=NNC1CC1	758126973	JSAGECKGAWSNDQ-SNVBAGLBSA-N	196.338	3.187	30	20	AGED	
C[C@@H]1CCC(=NNC2CCCCC2)C1	814909868	PDIGGCBGJGNWBH-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C=C(C)CON=CCCC(C)C	844620180	RXNQTWVCWPMVTF-UHFFFAOYSA-N	169.268	3.001	30	20	AGED	
CC[C@@H](C)CC=NN1CCCC[C@H]1C	853382349	YFZDGKCZMOTSPO-VXGBXAGGSA-N	196.338	3.283	30	20	AGED	
CCCCCCCN(C)[C@@H](C)CC#N	109133958	YCYSZJFCWVULFB-LBPRGKRZSA-N	196.338	3.191	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1ccc(C)s1	157217940	WZAPAZKSQMODEN-WCBMZHEXSA-N	195.331	3.282	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CCC[C@@H]1C	306241733	MOHCWIVWHNPDOK-DCAQKATOSA-N	168.280	3.038	30	20	AGED	
C=C(C)CCSCC1CCC1	307874891	NAWYTYKJKAECLH-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
CC[C@@H](C)CON=Cc1cccs1	308305324	OBRHBUDCBDLYBC-SECBINFHSA-N	197.303	3.145	30	20	AGED	
CC(C)CSCC1(C#N)CCC1	590709432	LMNBTLYUSNYXDT-UHFFFAOYSA-N	183.320	3.069	30	20	AGED	
C=C(CC)COc1cccc(F)c1F	678611995	XYKZLRGOASVECG-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
CC[C@@H](C)CON=C(C(C)C)C1CC1	793164030	QGEUSQZSUFBOCD-SNVBAGLBSA-N	197.322	3.471	30	20	AGED	
CC[C@H](C)C(C)=NOCC1CCC1	853440192	XGWXHCXSAFOVLL-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
C=CCC[C@H](C)NCc1ccsc1	126759197	VLFVABSBYBYGRF-JTQLQIEISA-N	195.331	3.192	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1cc(C)oc1C	164568500	BEJWJPLUZDQOLQ-SCZZXKLOSA-N	193.290	3.122	30	20	AGED	
C=CCCCCN1CCC[C@@H](C)C1	649238558	VCIQIDLMCNWBCZ-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CSc1ccc([C@@H](C)S)cc1	34957592	BBBAWQXWJZXORT-SSDOTTSWSA-N	184.329	3.399	30	20	AGED	
C=CCN1CCC=Cc2ccccc21	199920257	SCBRHJPKMHFRTP-UHFFFAOYSA-N	185.270	3.096	30	20	AGED	
C=C[C@H](C)[C@]1(C=O)CCCC[C@H]1C	306219851	QTWBPCAVWCKITJ-QJPTWQEYSA-N	180.291	3.204	30	20	AGED	
CCC#C[C@H](C)Sc1nccs1	306420773	XVDPULWOIXUCRH-QMMMGPOBSA-N	197.328	3.037	30	20	AGED	
C=CCSCc1ncoc1C(C)C	388709689	PGGPYDGCSPNACW-UHFFFAOYSA-N	197.303	3.217	30	20	AGED	
C=CCOC(=O)CC1CCCCCC1	750566206	LZRJKTHHYCLZMJ-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C[C@](C)(CC)C(=O)OCCC(C)C	785754298	QNKUCZYFLFMYRT-GFCCVEGCSA-N	198.306	3.178	30	20	AGED	
C=C(C)CNCc1ccccc1Cl	41626108	QFQOXJKVHODUBE-UHFFFAOYSA-N	195.693	3.006	30	20	AGED	
C=CCCC[C@@H]1CCCCC[C@@H]1O	71278086	GCGAKAUVTOGIBI-NEPJUHHUSA-N	182.307	3.284	30	20	AGED	
C=C(C)CCN[C@@H]1CCCC[C@@H]1C	168059975	FJQFRYBSTNKVPJ-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN[C@@]1(C)CCCC[C@@H]1C	306264561	CXAZYCRXNOHGNH-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
CC(C)[C@H](C)[C@@]1(C=O)CC[C@@H](C)C1	306531183	FDPLHJBMIBYWLK-WOPDTQHZSA-N	182.307	3.284	30	20	AGED	
C=CCCCN1[C@@H](C)CCC[C@@H]1C	308314366	UHPJIYIKWFDKHW-RYUDHWBXSA-N	181.323	3.216	30	20	AGED	
CC[C@H](C)CON=C1CC[C@@H](C)C1	378872061	QDTUNUKMQXROMK-VHSXEESVSA-N	183.295	3.225	30	20	AGED	
C=CCCCN(C)[C@H](C)CCC	388472751	OHDDOVHTGACHMH-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
C=CCCOC(=O)[C@H](CC)CCCC	729072327	IJVZACISJXQJEU-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
CCC(CC)NN=C1CCC(C)CC1	734366392	PZKDMPJKCPQRQV-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
C=CCC[C@@H](C)N[C@@H]1CC=CCC1	126877833	MRGPGKOPYGWNSA-VXGBXAGGSA-N	179.307	3.039	30	20	AGED	
C=C(C)CN[C@@H]1CCC[C@H](C(C)C)C1	230998745	NEAYADNCJQVRME-QWHCGFSZSA-N	195.350	3.367	30	20	AGED	
C#C[C@@H](N[C@H](C)CCCCC)C(C)C	301017241	ZYGIODTURDYZJS-CHWSQXEVSA-N	195.350	3.203	30	20	AGED	
C=CCCCCCC(C)=NOC	388396269	INMRBNFXJSFIPO-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
C=C(CC)CN(C)[C@@H](C)c1ccco1	678623930	PAHXWLGLIOBFLA-NSHDSACASA-N	193.290	3.239	30	20	AGED	
C=CCCOC(=O)C(CCC)CCC	753441106	YQCHOCFWLMHHIL-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=CCCCOC(=O)CCCC1CC1	812603116	JNKPGVFXYVOGRG-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC[C@H](C)CC=NN1CCCC[C@H]1C	853382347	YFZDGKCZMOTSPO-NWDGAFQWSA-N	196.338	3.283	30	20	AGED	
C=CCS[C@H](C)c1cccnc1	388479883	TZEQALGUKOWKFK-SECBINFHSA-N	179.288	3.062	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NC1(C2CC2)CC1	389330339	UVICSMJGMCZCHT-GHMZBOCLSA-N	193.334	3.119	30	20	AGED	
C=CCCCCN1CCC(C)CC1	649239465	UOOLQEYACQQOGF-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CCON=C(C)[C@@H]1CCCC[C@@H]1C	834937126	JRVKRVUQNFDOEJ-GXSJLCMTSA-N	183.295	3.225	30	20	AGED	
CCC[C@@H](S)[C@H]1CC1(C)C	306571390	FYYNVDFQEPDXBI-HTQZYQBOSA-N	158.310	3.131	30	20	AGED	
C[C@@H]1CC[C@@H](C2(C=O)CC2)C[C@H]1C	307407730	OAQSCTBVMQFYFP-GMTAPVOTSA-N	180.291	3.038	30	20	AGED	
C=CCC[C@H](CC)NCC1(C)CC1	308456010	FZPNAWAEPPPUIP-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCCCCNC[C@H]1CC=CCC1	308523271	ZHGPJICHKZTRII-ZDUSSCGKSA-N	193.334	3.289	30	20	AGED	
C#CCCS[C@H](CC)CCC	379170277	KPCLLHWFFCUABX-SNVBAGLBSA-N	170.321	3.322	30	20	AGED	
C=C(C)CON=C(C)[C@H](C)CC	844615626	WFGBFDZRCPPZDT-SECBINFHSA-N	169.268	3.001	30	20	AGED	
C=CCC[C@H](CCC)N[C@H]1C=CCC1	850509686	PNFBNEUFKMYLIT-STQMWFEESA-N	193.334	3.430	30	20	AGED	
C[C@@H]1C[C@H](S)c2ccccc21	306726763	ASVIHZIMLIZHPE-XCBNKYQSSA-N	164.273	3.165	30	20	AGED	
CCCNN=CC1CCC(C)(C)CC1	764682503	NBOPKMUEROSPFB-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CCCOC(=O)[C@@](C)(CC)CCC	796327581	TVOIIYPPUSEDFD-LBPRGKRZSA-N	198.306	3.322	30	20	AGED	
C=C(C)COC(=O)[C@](C)(CC)CCC	796335571	LCMKFRQZCCMADG-GFCCVEGCSA-N	198.306	3.322	30	20	AGED	
C=C(C)CON=CCC(C)(C)C	844618876	LWAJKWUCCUYKEZ-UHFFFAOYSA-N	169.268	3.001	30	20	AGED	
C=C(C)CCNc1ccnc(CC)c1	307767794	IYLAVQMHFXUXIO-UHFFFAOYSA-N	190.290	3.022	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC[C@@H]1CC	379394464	XJODNUYOVQYNLF-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=CCCSCC1CC(F)(F)C1	591385797	LJTAIGIEDVZZQJ-UHFFFAOYSA-N	192.274	3.341	30	20	AGED	
N#CCC1(CSCC2CCC2)CC1	596342659	YTQKMOSTWSTBCD-UHFFFAOYSA-N	195.331	3.214	30	20	AGED	
C=C(C)CON=C[C@@H]1CC[C@H](C)C1	844619809	MABOYBIWOBESKX-WDEREUQCSA-N	181.279	3.001	30	20	AGED	
CC[C@H]1CCC1=NN1CCCC[C@H]1C	853381746	KOKUFQINIDGJLV-MNOVXSKESA-N	194.322	3.037	30	20	AGED	
C=CCC[C@H](C)Nc1cncc(C)c1	134942473	NWMNXBFQTJSMEP-NSHDSACASA-N	190.290	3.157	30	20	AGED	
C=CCNc1c(F)cccc1Cl	135248580	FMRFQAVPNYSCHK-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
C=CC[C@H](C)N[C@H](C)CCC(C)C	161662573	NFWHBBBZCFVKRE-NWDGAFQWSA-N	183.339	3.365	30	20	AGED	
C=CCCC(C)=NOCC(C)C	379320412	WKBVMGJEDZVZDO-UHFFFAOYSA-N	169.268	3.001	30	20	AGED	
CC(C)(C)CCNN=C1CCCCC1	782906891	GCQAVPNJNZQJIO-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CC[C@H](C)CON=CC[C@H](C)CC	834981646	VKLSTHNWBCFWFN-MNOVXSKESA-N	185.311	3.471	30	20	AGED	
C=CCCCN[C@@H](C)c1cccs1	70591636	LSQRAILLNHMZFA-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)CCC(C)C	161662769	NFWHBBBZCFVKRE-VXGBXAGGSA-N	183.339	3.365	30	20	AGED	
C=C(C)CN1CCC[C@](C)(CC)C1	306241826	RZMGHONUJOUFNS-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=C(CC)COc1cc(C)ccc1F	85071489	TZMSMWFPZBJPGX-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
C=C(CC)CN1CCCC(C)(C)C1	306434898	KQGRAKQANDRMTC-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CCON=C1CC[C@@H](C)C[C@@H]1CC	308202086	ZFXAHJPWAIIPFY-ZJUUUORDSA-N	183.295	3.225	30	20	AGED	
C=CCCCCN[C@@H](CC)C(C)C	308237144	WPURDHXUISZWGQ-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C=CCCSCCC(F)(F)F	378973728	LHPZMAGSRYFKJZ-UHFFFAOYSA-N	184.226	3.248	30	20	AGED	
C=C(C)CCN(C)[C@@H]1CCCC[C@@H]1C	682031748	STHPBPCOQMYNMW-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
CCC(CC)=NN[C@@H]1CCCC1(C)C	782286260	HVMDKXCXBBVWPL-LLVKDONJSA-N	196.338	3.331	30	20	AGED	
C[C@@H]1CCCC1=NNCCC(C)(C)C	782902501	AZZYKELDODBQJG-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C=C(C)[C@@](C)(O)CCC=C(C)C	328579600	QPUBJKWMVWSKFO-NSHDSACASA-N	168.280	3.060	30	20	AGED	
CCON=CC(CC)(CC)CC	378860562	PDFJEZSSTNOTDU-UHFFFAOYSA-N	171.284	3.225	30	20	AGED	
CC[C@H](C)CS[C@H]1CC[C@@H](C#N)C1	590726708	GWEFJZFCYHLCJK-AXFHLTTASA-N	197.347	3.458	30	20	AGED	
Cc1cn(CCC(C)(C)C)cc1C#N	615113793	CNGKWLPQAFFPQQ-UHFFFAOYSA-N	190.290	3.104	30	20	AGED	
C=CCOC(=O)CC1(C)CCCCC1	753539805	METBWBUEHIHGQF-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC[C@H](C)CC=NOCC(C)C	834966039	LBANIUVKCKESOF-JTQLQIEISA-N	171.284	3.081	30	20	AGED	
C#CCCCSCC1=CCCC1	843303545	ZKIDJXDHCBURCQ-UHFFFAOYSA-N	180.316	3.243	30	20	AGED	
C=CC[C@H]1CCCN(C/C=C\Cl)C1	852410190	JMOFGJONEUZOIU-IBHLPDHGSA-N	199.725	3.027	30	20	AGED	
C=C(C)CCNCc1ccccc1C	168961819	MGKNXODIZQAVGH-UHFFFAOYSA-N	189.302	3.051	30	20	AGED	
C=CCCCCN[C@@H]1CC[C@@H]1CC	388671453	YDZIWHOSEKCABK-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=C(C)CCOc1ccc(F)cc1F	393682260	IYXLFGKBDCOZFF-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
CSc1ccc([C@H](C)S)cc1	34957591	BBBAWQXWJZXORT-ZETCQYMHSA-N	184.329	3.399	30	20	AGED	
C=C(Cl)C[C@@H]1CCCC[C@@]1(C)O	104836922	HXNYGWJFNJYFNG-VHSXEESVSA-N	188.698	3.070	30	20	AGED	
C=CCN(CCC1CCCC1)C(C)C	741778111	VADUHMZPJCJARN-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
CC(C)CNN=C1CC(C)(C)C[C@H]1C	766030538	UXSAJJWVAYNGBA-SNVBAGLBSA-N	196.338	3.044	30	20	AGED	
C=CCCCCCOC(=O)C1CCC1	782611528	QAFOWUMNGJXIAX-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C(CC1CCCCC1)=NOCC1CC1	814941468	YVKRAZSDMGESQW-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=C/C=C\CCOC(=O)CCC(=C)C	1519991158	YVYIGAWTRFCLJZ-WAYWQWQTSA-N	194.274	3.018	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1cccc(F)c1	136204081	AMLGSVKKIANWBC-VHSXEESVSA-N	193.265	3.051	30	20	AGED	
CCCC[C@H](CC)NCCCCC#N	167264771	IDQOYJVXMALRIF-LBPRGKRZSA-N	196.338	3.239	30	20	AGED	
C[C@@H]1CC[C@@]2(c3ccccc3)O[C@@H]2C1	196897207	MQJUQCDTXVLXJK-RTXFEEFZSA-N	188.270	3.101	30	20	AGED	
C=C[C@H](C)[C@@]1(C=O)CCCC[C@@H]1C	306219853	QTWBPCAVWCKITJ-SRVKXCTJSA-N	180.291	3.204	30	20	AGED	
CC(CCC(C)C)=NNCC(C)C	308156271	RKGILLOKGTVJSZ-UHFFFAOYSA-N	184.327	3.044	30	20	AGED	
C=CCCCN1CC[C@@H](C)[C@@H]1CC	308430490	SYPJAPBXJWZMHK-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCN1CCC[C@H]2CCC[C@H]21	608498521	QTGPFVLZAVXGRM-CHWSQXEVSA-N	193.334	3.217	30	20	AGED	
C[C@H]1CCCC1=NNc1ccccc1	729141358	YPBBPJZIUMIXTD-JTQLQIEISA-N	188.274	3.275	30	20	AGED	
C=CCCCOC(=O)[C@@H](C)CCCC	800276993	PJTLVRLKDWFWNH-NSHDSACASA-N	198.306	3.322	30	20	AGED	
C[C@H]1C[C@@H](S)c2ccccc21	306726757	ASVIHZIMLIZHPE-OIBJUYFYSA-N	164.273	3.165	30	20	AGED	
S[C@H]1CCCC12CCCC2	307256291	IGXGNGBFQDBFMZ-QMMMGPOBSA-N	156.294	3.029	30	20	AGED	
C=CCCN(CC)CC(CC)CC	308479660	MVTXVWZQQXHPRS-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=C(C)CON=C[C@H]1CCC[C@H](C)C1	844618252	NCKCPEMYLCHJLO-RYUDHWBXSA-N	195.306	3.391	30	20	AGED	
CCC1(C=O)CCCCCCC1	148793747	PHBKELDCALQAKH-UHFFFAOYSA-N	168.280	3.326	30	20	AGED	
COc1ccc(Cl)cc1N=[N+]=[N-]	167196713	PAQCNEQZVGQEEA-UHFFFAOYSA-N	183.598	3.290	30	20	AGED	
CCSc1cc(Cl)cc(C#N)c1	238296118	PJTPIOZREFKPEH-UHFFFAOYSA-N	197.690	3.324	30	20	AGED	
C=C(C)CCN1C[C@@H](C)C[C@H]1CC	388589462	KSHFOFKZBJYVFV-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=C(C)c1ccc(OCCC#N)cc1	592989563	SHVYRXNBWVZHAX-UHFFFAOYSA-N	187.242	3.012	30	20	AGED	
C=CCNc1ccccc1C(C)(F)F	651260564	ZEARRXYIABSACE-UHFFFAOYSA-N	197.228	3.396	30	20	AGED	
CC1(C)CCC[C@@H]1NN=C1CCCC1	782289221	UVOYNSHICVDNKH-NSHDSACASA-N	194.322	3.085	30	20	AGED	
C[C@H]1CC[C@](C=O)(C/C=C/Cl)C1	307309342	PCIKBNUQERLSFR-GIVNNSNTSA-N	186.682	3.134	30	20	AGED	
CC[C@H](C)C[C@H](CC)NCCCC#N	389275852	OOUUUZMCPWIVDV-RYUDHWBXSA-N	196.338	3.095	30	20	AGED	
C=CCCN[C@@H](C)c1csc(C)c1	394545942	DSTXDEMZEBPIBW-JTQLQIEISA-N	195.331	3.283	30	20	AGED	
CC[C@H](C)CS[C@@H]1CC[C@@H](C#N)C1	590726711	GWEFJZFCYHLCJK-HBNTYKKESA-N	197.347	3.458	30	20	AGED	
C=CCC[C@H](C)N[C@@]1(C)CC1(C)C	658304575	PSFKHZFOVIUUQU-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
C=C(CC)CN1CCC2(CCC2)CC1	671729141	ZAJMRBUGMGDUKG-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
CCON=C(C)c1cccc(C)c1C	734298773	LNZSBBYBZIIXBM-UHFFFAOYSA-N	191.274	3.064	30	20	AGED	
CC(C)CNN=C1C[C@@H](C)CC[C@@H]1C	834968026	DNIWFYXPHPMIJS-QWRGUYRKSA-N	196.338	3.044	30	20	AGED	
CC(C)ON=C1C[C@H](C)CC[C@H]1C	835002561	QASSTPPLFQKMSI-NXEZZACHSA-N	183.295	3.224	30	20	AGED	
CCCON=C1CCC2(CC1)CC2	842553879	LZDAHTGRPZUURT-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
C=C(Cl)CNC(CC)(CC)CC	83388149	XTRDQJNHCPYSNJ-UHFFFAOYSA-N	189.730	3.297	30	20	AGED	
C=C(C)CNC(C)(C)c1ccccc1	238089017	HBTGTNOLXRWAAT-UHFFFAOYSA-N	189.302	3.087	30	20	AGED	
CCCCC[C@H](NCC#N)C(C)(C)C	308740622	ONIZJXGVYSFIHH-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=C(C)COC(=O)[C@@H](CCC)C(C)C	763846718	UFGXTSNIAMELKG-NSHDSACASA-N	198.306	3.178	30	20	AGED	
CCC(C[C@H](C)CC)=NNCC(C)C	771562771	SBOUPGRGRXFWMS-LLVKDONJSA-N	198.354	3.434	30	20	AGED	
C=C[C@H](O)c1ccc2ccccc2c1	27651323	LORCFVPTNMHNOU-ZDUSSCGKSA-N	184.238	3.059	30	20	AGED	
C=C(CC)CNc1cc(F)ccc1F	85056999	NTZHDUOOSJVMPM-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C(CC)CNc1cccc(F)c1F	85057734	INCFBSOWXMKVCS-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1ccc(CC)o1	122997034	JJIXICIDEMWMQM-NXEZZACHSA-N	193.290	3.067	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1ccc(C)s1	157218372	WZAPAZKSQMODEN-SCZZXKLOSA-N	195.331	3.282	30	20	AGED	
C=CC[C@@H](CC)NCc1ccsc1	308173333	CHCXQZRUBXDLFG-LLVKDONJSA-N	195.331	3.192	30	20	AGED	
C=CCCCCSCCOCC	590726045	WSVBXJSASRETEP-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
CCC(=NN[C@@H](C)CC)[C@H]1CC1(C)C	841636334	BKFUXOJDEZCLKV-VHSXEESVSA-N	196.338	3.187	30	20	AGED	
C#CCCSc1cc(C)ccc1C	82496844	LSJIJRALYMYCSA-UHFFFAOYSA-N	190.311	3.419	30	20	AGED	
C=CCC[C@@H](C)NCc1ccccc1	90735657	QQSXKUNQPWLVBJ-GFCCVEGCSA-N	189.302	3.131	30	20	AGED	
C=C(C)CN(CC)[C@H](C)CCC	307957514	SFGIYIMXTSYIJV-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
CCCC(C)=NOC[C@H](C)CC	307981130	ORFUWMSCBXWDFT-SECBINFHSA-N	171.284	3.225	30	20	AGED	
C=CCCN(C)CCC(C)(C)CC	308314542	ULSNYOHLCQPLDU-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C=CCCCN1CC[C@H](C)[C@@H]1CC	308430497	SYPJAPBXJWZMHK-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CC[C@@H](CC)Nc1ccnc(C)c1	308498157	FCNSXHPWEWUPSD-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
CCC[C@@H](CC)NC[C@H](C)CCC#N	602545263	OVUOILBJQRLHMT-VXGBXAGGSA-N	196.338	3.095	30	20	AGED	
C#CCCCN[C@@H](C)CCCC(C)C	160884045	LKLHVHTVXCLLAC-ZDUSSCGKSA-N	195.350	3.204	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CC[C@@H](C)C1	381991317	PBWVUAWFHVMXQK-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCCN[C@H](C)c1cc(C)c(C)o1	658114503	PLGFBDIASXTULI-SNVBAGLBSA-N	193.290	3.123	30	20	AGED	
C=CCN(C[C@@H](C)C(C)(C)C)C1CC1	670269161	XNXCPJBZUYTRMB-LLVKDONJSA-N	195.350	3.319	30	20	AGED	
CCCON=C1CCC[C@H](C)[C@H]1C	842555673	ZPAJETMYWUSZDO-VHSXEESVSA-N	183.295	3.225	30	20	AGED	
C=CCC[C@H](C)N[C@H](C)CCC	126694233	VFAGQBCRWJWQQQ-MNOVXSKESA-N	169.312	3.119	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)CC1CCC1	161644568	OUFJIJQGFADBEJ-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C=C(C)CN[C@]1(C)CCCC[C@@H]1C	306264556	CXAZYCRXNOHGNH-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
CCCCC(C)=NOC1CCC1	307991747	UAQGCBDARYOWEV-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C=C(C)CN(C)Cc1ccc(C)s1	590296003	NAOKCECFOGAOMX-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
C=CCCCN(C)[C@H]1CCC[C@@H](C)C1	605149947	UNDDFHXZNCODBL-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C=CCCN1CCCc2ccccc21	606896892	ZNLWLLXPFZTUDI-UHFFFAOYSA-N	187.286	3.015	30	20	AGED	
CC(C)c1ccc(NCCC#N)cc1	20391585	IXEDCGPUCBPHOB-UHFFFAOYSA-N	188.274	3.136	30	20	AGED	
C=CC[C@H](C)N[C@H](C)c1ccc(C)o1	161647362	DIUKMLLCRGLEBG-GXSJLCMTSA-N	193.290	3.203	30	20	AGED	
C=C[C@H](C)N[C@H]1CCCCC[C@@H]1C	229594625	GVCJITQDNZBDPO-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=CCCCC[C@@H](C)NC1CCC1	308252788	IQKYJWQQDMJLAK-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)CCC1CC1	308258898	MKWPUKAQGGRJEM-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
N#CCCCSCC1=CCCC1	592461947	XHYCUQZGKKJVRA-UHFFFAOYSA-N	181.304	3.134	30	20	AGED	
c1ccc(NN=C2CCCC2)cc1	39204505	UDBKZBQYLKJMNN-UHFFFAOYSA-N	174.247	3.029	30	20	AGED	
CC(C)CC(S)CC(C)C	79720533	HGWOJLWEENGVHU-UHFFFAOYSA-N	160.326	3.377	30	20	AGED	
C=CCCN[C@H]1CCCCC[C@H]1C	83949113	SHCZYFNOCLIROL-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](C)N[C@H](C)c1ccsc1	161687204	HMLZASXATVPTDY-VHSXEESVSA-N	195.331	3.363	30	20	AGED	
C=CCC[C@H](CC)N[C@H](C)CC	307989781	SNXKACASFDBLRS-MNOVXSKESA-N	169.312	3.119	30	20	AGED	
C=CC(C)(C)CN[C@@H](CC)CCC	384931811	IMPYTEGUGJSVGP-NSHDSACASA-N	183.339	3.367	30	20	AGED	
CCCC(CCC)=NOCC(F)F	388723606	SWQSLEBGZYVFCM-UHFFFAOYSA-N	193.237	3.224	30	20	AGED	
C=CCCCCSCC1(C#N)CC1	591401001	RCKWODXBCGKNNU-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
C=CCCCC[C@@H](C)N[C@H](C)CF	648589125	SBORIJINOXILDU-GHMZBOCLSA-N	187.302	3.069	30	20	AGED	
C=CCNN=C1CCC(C)(CC)CC1	795000025	XJXLSPWDLRCVGJ-UHFFFAOYSA-N	194.322	3.108	30	20	AGED	
C=CCCCOC(=O)C(C)(C)CC=C	796463835	ZEYLEERPEJXPQQ-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
CC(C)SCCC(C)(C)C#N	83640631	PAHLWQVESKJNTF-UHFFFAOYSA-N	171.309	3.068	30	20	AGED	
C=CCC[C@H](C)Nc1ccc(C)nc1	96034332	UAMXLNWEEHNSIW-NSHDSACASA-N	190.290	3.157	30	20	AGED	
CC(CCC1CC1)=NOC(C)(C)C	308156680	RSKQAOYLLQMUKF-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C#CCCS[C@@H](CC)CCC	379170276	KPCLLHWFFCUABX-JTQLQIEISA-N	170.321	3.322	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC[C@@H]1CC	379394463	XJODNUYOVQYNLF-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=CCN(C)C[C@@H]1CCCC(C)(C)C1	681751297	WBQFDMFZAABUBS-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
C=C[C@H]1CCCCN1[C@@H]1C=CCCC1	683793035	NEDSBXWRLVQHJV-QWHCGFSZSA-N	191.318	3.136	30	20	AGED	
CCCCCCCN1CC[C@H](F)C1	830467520	OLEMDVWDKVBICF-NSHDSACASA-N	187.302	3.001	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@@H]1C(C)C	844622173	VXUNFTZZSAAPIH-WDEREUQCSA-N	195.306	3.390	30	20	AGED	
C=C(C)CNc1ccc(C)c(C)c1	41571121	QTRCXBHQEZCRRJ-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
CC#CCCS[C@@H](C)C(C)C	307645321	YCRIKNLTAZUTPC-JTQLQIEISA-N	170.321	3.178	30	20	AGED	
C#Cc1cccc(N[C@H]2CC[C@H]2CC)c1	309088385	BGOREGBOQOMTPQ-OCCSQVGLSA-N	199.297	3.268	30	20	AGED	
C=CCCCCNCc1ccoc1C	320976996	PKILAYWMRNNBDU-UHFFFAOYSA-N	193.290	3.034	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CC[C@H](C)C1	381991313	PBWVUAWFHVMXQK-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCCC1(C)C	385073822	XCHQAWISFFNFDZ-NSHDSACASA-N	195.350	3.367	30	20	AGED	
CCC[C@@H](NCCCC#N)C(C)(C)C	590755470	VDRJUQIWHTYNOZ-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
CC[C@H]1CCCCC1=NNCC(C)C	779786401	QKRCFWGCLRUJCU-NSHDSACASA-N	196.338	3.188	30	20	AGED	
C=CCN[C@@H](C)c1cc(C)sc1C	20084885	NJPNBOYEWTZDOZ-VIFPVBQESA-N	195.331	3.202	30	20	AGED	
CC(C)[C@@H]1CCCC[C@H]1S	125785514	FXPDMIZSJNPDAF-DTWKUNHWSA-N	158.310	3.131	30	20	AGED	
C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1C	310539265	BRPMEJPIFUCNRQ-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=C(CC)CNc1ccnc(CC)c1	313479422	GROWGMIYUQAIAC-UHFFFAOYSA-N	190.290	3.022	30	20	AGED	
C=CCC[C@H](CC)NC/C=C\C1CC1	378862874	UMNYPZHIYVBVIJ-FWWRYZNZSA-N	193.334	3.287	30	20	AGED	
C=CCN(C)CC1CCCCCC1	379390003	MTFUATMNZPQNDP-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)c1ccsc1	382125644	NPFGHMXVQFSVHT-ONGXEEELSA-N	195.331	3.363	30	20	AGED	
C=CCC[C@H](C)NCC[C@H](C)CC	658123370	ZQCUPNGLCFIKGI-NEPJUHHUSA-N	183.339	3.367	30	20	AGED	
CC1(CNN=C2CCCC2)CCCC1	793084321	LCHCBGCFSXCDOS-UHFFFAOYSA-N	194.322	3.086	30	20	AGED	
C=CCSCCCCCF	306481719	LCLJZZNVUMAVAM-UHFFFAOYSA-N	162.273	3.045	30	20	AGED	
C=C(CC)CN(C)Cc1ccsc1	308308289	PNUCHRLUJAQDKJ-UHFFFAOYSA-N	195.331	3.146	30	20	AGED	
CC(CCC(C)C)=NOC1CCC1	388826029	VKANASXXFXXVKM-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=CC[C@H]1CCCC[C@@H]1NC1CCC1	657912276	AVVGRSTWKLFNRZ-AAEUAGOBSA-N	193.334	3.263	30	20	AGED	
C=CCON=C[C@H]1C(C)=CCC[C@@H]1C	835013772	XCXKNXGIWGUVTO-RYUDHWBXSA-N	193.290	3.167	30	20	AGED	
C=CCC[C@H](CCC)NCCC	70594490	SEZBQFOHCJHTQK-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C[C@@H](S)c1ccc(F)cc1Cl	70602746	LAQCZOFANOVRFM-RXMQYKEDSA-N	190.670	3.470	30	20	AGED	
C=C(CC)CN[C@H](C)CC(C)(C)C	384687338	VZUXHSANAIWZPZ-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=CCCCCN[C@@H]1CC[C@H]1CC	388671455	YDZIWHOSEKCABK-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN1CC[C@@H](C2CCCC2)C1	643254403	PFMOWPIPCPMDEP-CYBMUJFWSA-N	193.334	3.075	30	20	AGED	
C=C(C)CN1CCC[C@H]1CCC(C)C	676041835	OWGWETQNAYXWSR-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
C1=CC[C@H](C=NOC2CCCC2)CC1	774603134	NLYDOEIJYYIHTF-NSHDSACASA-N	193.290	3.288	30	20	AGED	
C=C(CC)CNCc1sccc1C	87309800	XDNDBBSOAXXLFP-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
C=CCC[C@@H](C)NCC1CCCC1	126784430	MQACAKLRFRXCKH-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@H](C)NCCC1CCC1	164634302	BLFOCKRMWWBUIK-NSHDSACASA-N	181.323	3.121	30	20	AGED	
O=CC1([C@@H]2C=CCCC2)CCCC1	306180166	XVPUBOZRFVBGHW-LLVKDONJSA-N	178.275	3.102	30	20	AGED	
C/C(=C\Cl)CC1(C=O)CCCC1	307471763	YIRLQPWSGNKCPK-VQHVLOKHSA-N	186.682	3.278	30	20	AGED	
C=C(Cl)CSCCC1CC1	307637181	YBXCZSASOYGAEO-UHFFFAOYSA-N	176.712	3.272	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CCC12CCC2	308728871	ICJOIANTNQEWTI-NWDGAFQWSA-N	193.334	3.263	30	20	AGED	
C=CCN(C)C[C@H]1C(C)=CCC[C@H]1C	682407066	WQVAGTOEAXSBFO-OLZOCXBDSA-N	193.334	3.097	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)CCCC	161669092	WGOAHZIQURCZRW-QWRGUYRKSA-N	169.312	3.119	30	20	AGED	
C[C@@H]1CCC[C@H](C(C)(C)C=O)C1	217765259	HYIDZHMLXWTZCC-ZJUUUORDSA-N	168.280	3.038	30	20	AGED	
C=C(Cl)CSCC1CCC1	306449880	YMNJDNDULFASFK-UHFFFAOYSA-N	176.712	3.272	30	20	AGED	
CC(C)(C=O)C[C@@H]1CCC(F)(F)C1	307041493	KUKJXEVXMSHRJG-QMMMGPOBSA-N	190.233	3.037	30	20	AGED	
C=CCCc1csc(NC(C)C)n1	308147555	MKEDTGUMZFIERM-UHFFFAOYSA-N	196.319	3.082	30	20	AGED	
CCON=C(CC)C1CCCCC1	388300478	NJSHTNXFNGYDTG-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1C[C@H]2CC[C@H]1C2	394274572	BOFABNKZZDNEDR-ZDEQEGDKSA-N	193.334	3.119	30	20	AGED	
C=C(C)CN[C@H](CCC)C(C)(C)C	649931248	CZFAUQPRGNYBAN-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C[C@H](CS)C1CCCCC1	306966735	LWAJXJZOAGCFSP-MRVPVSSYSA-N	158.310	3.133	30	20	AGED	
C#C[C@@H](N[C@H](CC)CCCC)C(C)C	300930689	NTGKFOMEIBRBFR-CHWSQXEVSA-N	195.350	3.203	30	20	AGED	
C#CCCNc1ccc(C(F)F)cc1	307587443	TZZSOIWUQJNBEK-UHFFFAOYSA-N	195.212	3.059	30	20	AGED	
C=C(Cl)CN(C)[C@@H](C)c1ccco1	379386496	XVEWFVFPCFYGNH-VIFPVBQESA-N	199.681	3.025	30	20	AGED	
C=C(C)CS[C@@H](C)CCC	591385770	NQJAZPSEWCBFLP-VIFPVBQESA-N	158.310	3.484	30	20	AGED	
CCCNN=C1CC[C@@H](C)C[C@H]1CC	769568998	CTXNHBYBTUOLPM-GHMZBOCLSA-N	196.338	3.188	30	20	AGED	
CC[C@@H](C)NN=C1CCC12CCCC2	790183122	OQZMHWWFNPAJLR-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C=C(C)CON=C[C@H]1CC[C@@H](C)C1	844619807	MABOYBIWOBESKX-MNOVXSKESA-N	181.279	3.001	30	20	AGED	
C=CCSCc1ccc(F)cc1	41364225	VEDHZBNUHDKUNZ-UHFFFAOYSA-N	182.263	3.245	30	20	AGED	
C=C(Cl)CN[C@@H](C)CCCCC	42222540	IHCGAKLRNNLDNF-JTQLQIEISA-N	189.730	3.297	30	20	AGED	
C=C(CC)CNc1cccc(C)c1	85056845	IGWIHSUUUGKADN-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCC(C)(C)C1	385061648	UOQOTWWNXWDFDK-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
c1ccc(NN=C2CC3(CC3)C2)cc1	814684324	NJTOOUGQWUMMOV-UHFFFAOYSA-N	186.258	3.029	30	20	AGED	
C=CCCSCc1cc(C)ccn1	308372941	LVRVOVUJTGPUQQ-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=CC[C@@H](CC)N[C@H]1CCC[C@H]2C[C@H]21	378807896	YAEPDAZMJBHCGL-LOWDOPEQSA-N	193.334	3.119	30	20	AGED	
CCCC(=NOC)C1CCCCC1	388738024	XDSXVYAIABZVCD-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=C(C)CN1CC(C)(C)[C@H]2CCC[C@H]21	645250193	AJFHXFAAFYRESQ-NWDGAFQWSA-N	193.334	3.073	30	20	AGED	
C=CCC[C@@H](NC/C=C/CC)C1CC1	651412675	NXCLJYACTGLGOK-VUDGCMKMSA-N	193.334	3.287	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)CCCC	161669342	WGOAHZIQURCZRW-MNOVXSKESA-N	169.312	3.119	30	20	AGED	
C=C(C)c1ccccc1[C@H](O)CC	197301962	SYODNCLJZNWZED-GFCCVEGCSA-N	176.259	3.163	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)[C@H]1CC12CC2	527892956	IJGBCFKWXLSEJQ-GRYCIOLGSA-N	193.334	3.119	30	20	AGED	
C=C(CC)CN(C1CC1)[C@H](C)C1CC1	678624072	ZKQYTZCKOIOGSP-LLVKDONJSA-N	193.334	3.216	30	20	AGED	
C=CCCCN1CC[C@H](C(C)(C)C)C1	680112008	NYCHQOVQTZSXKO-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
C=CCCCOC(=O)C[C@@H](C)CCC	735534406	LAKDSRQXFAVUKI-NSHDSACASA-N	198.306	3.322	30	20	AGED	
C=CCCCCOC(=O)CCCC=C	39254552	OQOPHLYZOBOPPA-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
C=C(C)CNc1cccc(C)c1C	41570967	MQERLMMKIWGSTL-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C=CCCSCc1ccco1	196528149	UKWQUBBXMFTRPX-UHFFFAOYSA-N	168.261	3.089	30	20	AGED	
C=C(C)CSc1ccncc1C	307245563	MIPQVWJYUSBOJF-UHFFFAOYSA-N	179.288	3.058	30	20	AGED	
CCON=C(C)c1cccc(Cl)c1	308309581	QJXRLAAOTWKEAL-UHFFFAOYSA-N	197.665	3.101	30	20	AGED	
C[C@@H]1CCCC(=NOC2CCC2)C1	379358082	UJMMKBOACSRCMY-SECBINFHSA-N	181.279	3.122	30	20	AGED	
C=C(C)CN1CC(C)(C)[C@H]2CCC[C@@H]21	645250195	AJFHXFAAFYRESQ-RYUDHWBXSA-N	193.334	3.073	30	20	AGED	
CCC(=NNCC(C)C)[C@H]1CC1(C)C	841630526	HNIWFOGZSQWQJK-SNVBAGLBSA-N	196.338	3.044	30	20	AGED	
CC[C@@H]1CCC[C@@H](S)CC1	83435134	XQUPXMPFBFMVFS-RKDXNWHRSA-N	158.310	3.275	30	20	AGED	
N#CCCCCSCCC1CC1	308084147	MBMPQEQBMSOSSI-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C#CCCNc1ccc(C2CCC2)cc1	308858043	UMVQNOQIBLTKKZ-UHFFFAOYSA-N	199.297	3.389	30	20	AGED	
C=CCCCCN(CCC)C1CC1	649285891	PJBGUICHINYVMX-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=C(C)CCN(C)[C@H](C)c1ccco1	681401154	UDMSLLUKGBFAIC-LLVKDONJSA-N	193.290	3.239	30	20	AGED	
CON=C[C@@H](c1ccccc1)C(C)C	794489667	ZMZYHHPCFGOWMK-GFCCVEGCSA-N	191.274	3.058	30	20	AGED	
C[C@H]1CC[C@@H](C=NOCCC2CC2)C1	814245252	NRGHDXFAGXUVQI-CMPLNLGQSA-N	195.306	3.225	30	20	AGED	
C=C[C@H](C)ON=C1CCCCCC1	844624736	ZNTSRRXFTCPWPI-JTQLQIEISA-N	181.279	3.288	30	20	AGED	
CCC(=NOC(C)(C)C)[C@@H]1C[C@@H]1C	1327461970	WSZZETFGKSWTQA-DTWKUNHWSA-N	183.295	3.224	30	20	AGED	
C=CCN[C@H](CCC)c1ccccc1	19876039	NYGWDYJATNUERW-CYBMUJFWSA-N	189.302	3.303	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@@H](C)[C@H]1C	251187252	BEUFXAJKBGPJSH-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
C=CCN(C)CCC1CCCCC1	388656605	UECVGPIALVPMRR-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
N#CC1(CSCC2=CCCC2)CC1	592461631	TXSMTANRHDNMDF-UHFFFAOYSA-N	193.315	3.134	30	20	AGED	
C=C(CC)CN(C)c1ccc(F)cc1	678623315	NZQZYBOYTSWYDI-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
CCCCNN=C[C@@H]1CCCC[C@@H]1C	783826927	INCMGZDTGRFWQR-RYUDHWBXSA-N	196.338	3.188	30	20	AGED	
C=C[C@@H](C)N[C@H](CC)c1ccccc1	157229685	PKCKJQUOROMSDG-DGCLKSJQSA-N	189.302	3.302	30	20	AGED	
C=C(Cl)CN(C)C1CCCCC1	306272815	YEJIXLFSGSSMIF-UHFFFAOYSA-N	187.714	3.003	30	20	AGED	
C=C[C@H](C)C1(C=O)CCCCCC1	307399865	ASMCPWIMVPFHMC-NSHDSACASA-N	180.291	3.348	30	20	AGED	
C=CCCCC[C@H](C)NC(C)C	307947595	LFVSSMFTVFJCLD-NSHDSACASA-N	169.312	3.119	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CCC12CCC2	308728872	ICJOIANTNQEWTI-RYUDHWBXSA-N	193.334	3.263	30	20	AGED	
C=CC(C)(C)CN[C@H](C)CCCC	384936592	JGFIJZFUAUMUET-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=CCCN1[C@H](C)C[C@H]2CCCC[C@H]21	608500446	NSFDZULSJPZION-JHJVBQTASA-N	193.334	3.216	30	20	AGED	
C=CCC[C@@H](CC)NCCC(=C)C	648727742	BAQZHLYLSSEUSZ-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
C=CCN(C)C[C@H]1C(C)=CCC[C@@H]1C	682407068	WQVAGTOEAXSBFO-STQMWFEESA-N	193.334	3.097	30	20	AGED	
C=C(C)CNc1ccccc1OCC	41571656	SCXUTGGQCDYFHF-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=CCNc1ccc(CCC)cc1	50521832	RARWKCQPKDWZRH-UHFFFAOYSA-N	175.275	3.237	30	20	AGED	
C=CCCCOc1cc(C)ccc1F	82940187	UNOKIMHYRCJGOS-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
N#Cc1cc2cccc(Cl)c2s1	83279317	GDCTXZRYISTSTM-UHFFFAOYSA-N	193.658	3.426	30	20	AGED	
C=C(CC)CNc1ccc(F)c(F)c1	85057082	GGOWIJBCIRTYCR-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=CCCSCC(=C)Cl	306648795	PYXARRCBDLWUGV-UHFFFAOYSA-N	162.685	3.048	30	20	AGED	
C=CCCCSCCCSC	307925503	QAAWITLWZZYLNA-UHFFFAOYSA-N	190.377	3.439	30	20	AGED	
CC(C)CON=C[C@@H]1CC[C@H](C)C1	308170813	ZLHKLWNRIKWKMD-WDEREUQCSA-N	183.295	3.081	30	20	AGED	
C=C(C)CCN1CC[C@@H](C)C[C@@H](C)C1	681406930	FYRWGMANSFHLEG-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
CCC(CC)NN=C1CCCC[C@H]1C	734365207	TWWNCOZFJJJNEH-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
C=CCCOC(=O)C1(CCC)CCC1	759450535	SUSLXEOPCZIVRI-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCCC(=O)O[C@@H](C)CC(C)(C)C	835706726	SROKSFIQEPSQFT-JTQLQIEISA-N	198.306	3.321	30	20	AGED	
CC[C@@H](C)C(C)=NN1CCCC[C@@H]1C	853379018	LUOYZVJMOTWWIZ-MNOVXSKESA-N	196.338	3.283	30	20	AGED	
C=CCN[C@H]1CCCC[C@H]1C(C)(C)C	19875750	XCSAGSQWYQJPQN-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
CC#CCNc1cccc2ccccc12	51662817	HVTCTMCWCLSGAT-UHFFFAOYSA-N	195.265	3.275	30	20	AGED	
N#Cc1cccc(SCCCF)c1	213864455	ZOYRGYMIXLAJOR-UHFFFAOYSA-N	195.262	3.010	30	20	AGED	
C=C(C)CCN1[C@@H](C)CCC[C@@H]1C	306166849	UNFZUROMISLFIR-RYUDHWBXSA-N	181.323	3.216	30	20	AGED	
Cc1cc([C@H](C)S)cs1	307137869	YGJXIBMXVGXUBM-LURJTMIESA-N	158.291	3.047	30	20	AGED	
C=CCCCN1C[C@H](C)CCC[C@@H]1C	607742902	XUHFGFPQLFECSW-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
CC[C@H](C)Sc1ccccc1C#N	20077593	LCMZDQUMDPGEKW-VIFPVBQESA-N	191.299	3.449	30	20	AGED	
CC/C=C\CCSCC1(C#N)CC1	388301478	NTCRBAKIBYKGQA-ARJAWSKDSA-N	195.331	3.380	30	20	AGED	
C[C@H]1CCCC[C@@H]1SCCC#N	600555201	IHGZFWRMRNFWSW-UWVGGRQHSA-N	183.320	3.212	30	20	AGED	
C=CCCN(C)c1ccc(C)cc1C	739904901	UVFQXZKIPWSFLJ-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
N#CC1(CC2CCCC2)CCC1	83776010	ITDCQCXKCYIKSD-UHFFFAOYSA-N	163.264	3.261	30	20	AGED	
C[C@@H]1CC(C)(C)CC[C@H]1S	88132157	ZLNZYASRNJONIF-HTQZYQBOSA-N	158.310	3.131	30	20	AGED	
C=C[C@H](C)NCc1cccc(Cl)c1	130500298	KDIYLLOQDQATJV-VIFPVBQESA-N	195.693	3.004	30	20	AGED	
C=CCCCCNCc1ccccc1	140893781	QJWUMQLBTIHXQS-UHFFFAOYSA-N	189.302	3.133	30	20	AGED	
C=CCCN[C@@H]1CCCC(C)(C)C1	149812673	DMRUDSABOFUYTE-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C#CCCCN(CC)CC(CC)CC	161093766	ZXDSSLFZAPZIIO-UHFFFAOYSA-N	195.350	3.158	30	20	AGED	
C=CCC[C@@H](NCC=C(C)C)C1CC1	379604593	PFVFUHRZLPENED-CYBMUJFWSA-N	193.334	3.287	30	20	AGED	
C=CCN(C)[C@H](CC)c1ccccc1	621277092	UCVGVUVPUGNGNZ-CYBMUJFWSA-N	189.302	3.256	30	20	AGED	
C=CC(C)(C)CNC1CC2(CCC2)C1	656635570	FWMGQYNLCWQQSR-UHFFFAOYSA-N	193.334	3.121	30	20	AGED	
C=C(C)CN(C)C[C@@H]1CCC[C@H](C)C1	679220453	YALCWVMLIWMMTL-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
C=C(C)CN[C@H](C)c1cc(C)oc1C	51753592	AUQVGZWMNLJFBH-SNVBAGLBSA-N	193.290	3.123	30	20	AGED	
CC(C)(C=O)C[C@@H]1CCCC1(F)F	306272309	WSRHTMJXSYFQMD-QMMMGPOBSA-N	190.233	3.037	30	20	AGED	
C=CCN1CCC[C@@H]1c1cccs1	306493233	RFXUWVFSBSIGNY-SNVBAGLBSA-N	193.315	3.071	30	20	AGED	
C=CCSCC1CCCCC1	307562992	MAGGCAVEFCIODQ-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
C=CCC[C@@H](C)NCC1=CCCC1	658290912	IGBMRZZWZOQMQC-LLVKDONJSA-N	179.307	3.041	30	20	AGED	
CCC(CC)NN=C1CCC[C@H](C)C1	734366038	CFKAFWPCNDVWTJ-JTQLQIEISA-N	196.338	3.331	30	20	AGED	
CCC(CC)=NOCc1ccccc1	839419736	TXIJDPRXIGIZPT-UHFFFAOYSA-N	191.274	3.379	30	20	AGED	
C=CCCN[C@H](C)c1cccc(F)c1	70592012	KCWQTIDZMQPLCG-SNVBAGLBSA-N	193.265	3.052	30	20	AGED	
CCCCCCCCCC(=O)NCC	82226949	VXUAXBGDCYWTME-UHFFFAOYSA-N	199.338	3.263	30	20	AGED	
C=CCCNCc1cc(C)sc1C	168568700	XJEXKMLRWSQXRB-UHFFFAOYSA-N	195.331	3.031	30	20	AGED	
C[C@H]1C[C@@H](C)C[C@H](C2(C=O)CC2)C1	306338462	WCXBPXNRAMDQTN-URLYPYJESA-N	180.291	3.038	30	20	AGED	
CCON=C(C)C[C@@H](C)CC(C)C	308316870	XMPVWASTAVCEOT-JTQLQIEISA-N	185.311	3.471	30	20	AGED	
C=CCCC(C)=NOC/C=C\Cl	379324079	VYQNEWNPVKNOPP-ISLHGUSQSA-N	187.670	3.098	30	20	AGED	
C=C(C)CN(CC)CC1CCCCC1	680853795	ITVGZTXMTWOVNP-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCCCC(=O)O[C@@H]1CC[C@H](C)C1	779258659	MFPHBFRYUMBKJH-WDEREUQCSA-N	196.290	3.075	30	20	AGED	
C#C[C@H](N[C@@H](C)CCC(C)C)C(C)C	300915086	MHBAQUWYGVIOHN-STQMWFEESA-N	195.350	3.059	30	20	AGED	
CCCCCON=Cc1cccs1	308237963	RKUIIADMJWMNSI-UHFFFAOYSA-N	197.303	3.289	30	20	AGED	
C=CCN[C@H]1CCC[C@H]1CCC(C)C	308498232	FFOOHXMHGRGFOF-STQMWFEESA-N	195.350	3.367	30	20	AGED	
CC(C)C[C@H](C)Cn1ccc(C#N)c1	619622583	UDMFRJMITJQDEK-NSHDSACASA-N	190.290	3.042	30	20	AGED	
C=CCCN[C@@H](CCC)C(C)(C)C	649931254	GLFZUIQGWHFHOG-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=CCCCCCN1CC[C@H]2C[C@H]2C1	661968335	XKJGCFCATKTKBK-STQMWFEESA-N	193.334	3.075	30	20	AGED	
C=CCCCCCN1CCC(C)CC1	683779243	NIRPRBPYMSEAKH-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C(C)CCOC(=O)[C@H](C)[C@H](C)CC	780392111	ILOASTXVHQDVAY-GHMZBOCLSA-N	198.306	3.178	30	20	AGED	
C[C@@H]1CCCC[C@H]1C=NOC1CCC1	812235768	QGAKZOOKJYFCQZ-MNOVXSKESA-N	195.306	3.368	30	20	AGED	
C[C@H]1CCC[C@H](C=NOCC2CC2)C1	814244546	ZKNIKHAWHMKHHC-JQWIXIFHSA-N	195.306	3.225	30	20	AGED	
CCCCCCCN(C)C[C@H](C)C#N	88239561	SNJKIWVIXGYRPP-GFCCVEGCSA-N	196.338	3.048	30	20	AGED	
C=CCN[C@@H](C)c1cc(C)cc(C)c1	148333900	CENKITIKVBXJER-LBPRGKRZSA-N	189.302	3.140	30	20	AGED	
C=C(CC)CN(CC)CC1CCC1	308478206	MNZPZSHBSHVMTL-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCC[C@@H](NC1CC1)c1ccco1	308509443	KGKCQVPNEIPZQX-LLVKDONJSA-N	191.274	3.039	30	20	AGED	
C=C(C)CN(C)[C@@H](C)CCCC	379316445	YXSUZQWCAKQJJA-NSHDSACASA-N	169.312	3.073	30	20	AGED	
C=CCCCN1CCC[C@H]1C1CCC1	605150450	JKSMAEGUAYOQDE-ZDUSSCGKSA-N	193.334	3.217	30	20	AGED	
C=C(C)CCN[C@@H]1CC[C@H]1C1CCC1	648727781	NJBAMLICDDNZBE-QWHCGFSZSA-N	193.334	3.121	30	20	AGED	
C[C@H]1CC(=NOC2CCC2)CC[C@H]1C	812236446	MGWBZWCLHFXYSB-ZJUUUORDSA-N	195.306	3.368	30	20	AGED	
CC1=CCC[C@H](C)[C@@H]1C=NOC(C)C	835002109	JNTCAFMBAURZJN-NWDGAFQWSA-N	195.306	3.390	30	20	AGED	
C=CC[C@@H](C)N[C@H]1CCCC1(C)C	161690840	GGSYDTAFMDSXNB-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
C#CCCCN[C@@H](CC)[C@@H](C)CCC	379661632	QIKGTUDMADAEER-STQMWFEESA-N	195.350	3.204	30	20	AGED	
C=C(C)CN(C)C[C@H]1CCCC[C@H]1C	680335214	SHCAPJKULOEYKM-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
CC(CC1CCCC1)=NNCC(C)C	771567696	RHYLWZRKFGCCSI-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CCNN=C1CCC[C@@H]1CCCC	795003604	MHVYJTXLPPXZCY-NSHDSACASA-N	194.322	3.108	30	20	AGED	
C=C[C@H](O)c1ccc(C(C)C)cc1	83813487	URPGMEBASDNTMA-LBPRGKRZSA-N	176.259	3.029	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)c1cccs1	161676182	WOLOHOPKQGKJDJ-UWVGGRQHSA-N	195.331	3.363	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@@]1(C)CC1(C)C	658308387	PHOYREHEJNFJEV-GVXVVHGQSA-N	195.350	3.365	30	20	AGED	
C=C[C@@H](C)ON=C1CCCC1(C)C	844621989	RKMVRRINCTUCRR-SECBINFHSA-N	181.279	3.144	30	20	AGED	
C=C(C)CNCC1CCC(C)(C)CC1	308553227	YKGFKMIIQQAVKZ-UHFFFAOYSA-N	195.350	3.369	30	20	AGED	
C=CCC[C@@H](C)N[C@H](CC)C1CC1	324196573	SBIBJEJPEZAPBW-ZYHUDNBSSA-N	181.323	3.119	30	20	AGED	
C#CCCSCCCC(C)C	379262930	OINRPYHFRYTPNA-UHFFFAOYSA-N	170.321	3.179	30	20	AGED	
CC(=NOC(C)C)c1cccc(C)c1	835004683	VRKVSYCZGRCWOX-UHFFFAOYSA-N	191.274	3.144	30	20	AGED	
CCCON=C(C)c1ccc(C)cc1	842565656	KBLOIDRIYCQRQU-UHFFFAOYSA-N	191.274	3.146	30	20	AGED	
C=CCC[C@H](CC)NCc1ccoc1	166765837	UBOLTJMVMYUFQE-LBPRGKRZSA-N	193.290	3.114	30	20	AGED	
C=CCCN[C@H](CC)C[C@@H](C)CC	168504446	MSCQYTYPHBIBKR-NWDGAFQWSA-N	183.339	3.367	30	20	AGED	
C=CCN1CCC[C@@H](C)[C@H]1CCC	308247700	YAXAJRGIENRWGD-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCC(CC)=NNC1CCCCC1	379356109	NFRHWPULIKPBFM-UHFFFAOYSA-N	182.311	3.085	30	20	AGED	
C=CCC(C)(C)CN[C@@H](C)C1CCC1	382143214	NFXZQNIQLDPEJU-NSHDSACASA-N	195.350	3.367	30	20	AGED	
C=CCCN[C@@H](C)c1cc(C)c(C)o1	658114502	PLGFBDIASXTULI-JTQLQIEISA-N	193.290	3.123	30	20	AGED	
CCCCCN[C@H](C)CC(C)(C)C#N	695884459	CPPNGZJCHROVRX-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=C[C@@H](C)ON=CCCCCC	844622119	UWYMUDBTXUYVIS-SNVBAGLBSA-N	169.268	3.144	30	20	AGED	
CC1(C)CC(=NOC2CCCC2)C1	306900764	MMNJDRGTSDUBHL-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=C(C)CN1CCC[C@H]1[C@H](C)CCC	676041617	JIARXENSTYDOBS-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C#CCCN(C)C1CCCCCCC1	760818396	DDXWTBKQKHXHFT-UHFFFAOYSA-N	193.334	3.054	30	20	AGED	
C#CCCOc1ccc(C(C)C)cc1	82494109	YJMACYUMPSRBFV-UHFFFAOYSA-N	188.270	3.212	30	20	AGED	
C=CCC[C@H](CCC)NC1CC=CC1	308548464	WLXGEXREGULALZ-LBPRGKRZSA-N	193.334	3.430	30	20	AGED	
C[C@@H]1CCC[C@H](CSCCC#N)C1	591133805	ZDDIOYMHOQLPGH-MNOVXSKESA-N	197.347	3.460	30	20	AGED	
C=C(C)CCN1CCC[C@@H](C(C)C)C1	682041664	MJNFUERTLBCLFT-CYBMUJFWSA-N	195.350	3.321	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@@H](C)[C@@H]1C	844621757	MLVLSHYBLRHBQP-VWYCJHECSA-N	195.306	3.390	30	20	AGED	
CC1CC(C#N)(c2cccc(F)c2)C1	70068579	GGYPRIKLAMAJTM-UHFFFAOYSA-N	189.233	3.017	30	20	AGED	
C=CCCC[C@H]1CCCCC[C@H]1O	71278089	GCGAKAUVTOGIBI-NWDGAFQWSA-N	182.307	3.284	30	20	AGED	
C=CCC[C@@H](NC1CCCC1)C1CC1	379652637	GZDMRLIIBNFYBI-CYBMUJFWSA-N	193.334	3.263	30	20	AGED	
C=CCN1CCCC[C@@H]1CC(C)C	388683742	JIKLVHCIDGIZGU-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
CCCCC(CC)=NOCC(F)F	393719367	LQYNOHDZOQAHCW-UHFFFAOYSA-N	193.237	3.224	30	20	AGED	
Cc1cc(SC(C)C)ccc1C#N	88124896	WVHXNXLCPJQYDS-UHFFFAOYSA-N	191.299	3.367	30	20	AGED	
C=CCCCC(=O)OCCCCCC	204860811	JZTSLYZRPJJXJS-UHFFFAOYSA-N	198.306	3.466	30	20	AGED	
C=CCCN(C)C[C@H](C)CC(C)C	308154199	QGXZTIIRLKMDGT-GFCCVEGCSA-N	183.339	3.177	30	20	AGED	
C=CCCCSc1nc(CC)c[nH]1	308283889	ZKMCKXRNGOSGQK-UHFFFAOYSA-N	196.319	3.030	30	20	AGED	
C=CCCN(C)[C@H](C)c1ccccc1	606896511	WZYRZYMUBROZOH-GFCCVEGCSA-N	189.302	3.256	30	20	AGED	
C#Cc1cccc(NC(CC)CC)c1	19876899	YSLZZPFIMOMJFT-UHFFFAOYSA-N	187.286	3.268	30	20	AGED	
C=C(C)CCNCC1CCCCC1	168956585	AKLBULRUHULKEU-UHFFFAOYSA-N	181.323	3.123	30	20	AGED	
C=CC[C@H]1N(CC)CCCC1(C)C	306578023	VTDFXYLAPQVNLY-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
CCCCC(C)=NOC(C)(C)C	307999523	YLDIZZPSSRNEKI-UHFFFAOYSA-N	171.284	3.368	30	20	AGED	
C=CCCCCCOC(=O)/C(C)=C/C	784041020	SVWFLHKFDSGKGW-VZUCSPMQSA-N	196.290	3.242	30	20	AGED	
CC[C@H](C)NN=C1C[C@@H](C)CC[C@H]1C	834972780	JKHMDCGKCNPHBL-AXFHLTTASA-N	196.338	3.187	30	20	AGED	
O=CC1(C2CCC2)CCCCCC1	306471115	RIGAIMVQPXBROF-UHFFFAOYSA-N	180.291	3.326	30	20	AGED	
C=C[C@@H]1CCCCN1C[C@H](C)CC	308316452	VUYOKXPLLFMKRB-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCC(=NOCC1CCC1)C(C)C	853440214	YBJMTICELQUWAE-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCC(C)(C)C=C	648733032	MYWWDPGWCGHSJH-NEPJUHHUSA-N	195.350	3.389	30	20	AGED	
C=CCCCCN(C)[C@@H](C)CC	649376371	JEKDZYSZMYHSSA-NSHDSACASA-N	169.312	3.073	30	20	AGED	
C[C@H](NN=C1CCC1(C)C)C(C)(C)C	793115174	LCALMFVTWYEDHW-VIFPVBQESA-N	196.338	3.187	30	20	AGED	
CC[C@@H]1CCC[C@@](C=O)(C(C)C)C1	307151166	VHONGCOYBIMYES-VXGBXAGGSA-N	182.307	3.428	30	20	AGED	
C=C(C)CN1CC(C)(C)[C@@H]2CCC[C@H]21	645250197	AJFHXFAAFYRESQ-VXGBXAGGSA-N	193.334	3.073	30	20	AGED	
C=C(CC)CN(CC1CC1)CC1CC1	678629442	YVCKGABBKLLPBP-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
CCC(C)=NN[C@@H]1CCCCC1(C)C	773124019	IJRHWYDODCAXEK-LLVKDONJSA-N	196.338	3.331	30	20	AGED	
C=C(C)CN1CCCC2(CCCC2)C1	782636788	LIRVHNOFDLHVBA-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C1CCC(ON=C2CCC[C@H]3C[C@@H]23)C1	800814948	FRFGEXPBEAEZNZ-GXSJLCMTSA-N	193.290	3.122	30	20	AGED	
C=C(C)CON=C(CC)CCC	844618267	NLSRFEKFSVRJNF-UHFFFAOYSA-N	169.268	3.145	30	20	AGED	
CC(C)[C@@H](C)SCC1(CC#N)CC1	232739375	YOQKIJHZFHSCLA-SNVBAGLBSA-N	197.347	3.458	30	20	AGED	
N#CC1(CSC2CCCCC2)CC1	260109405	RVJMPEJRMPSZJS-UHFFFAOYSA-N	195.331	3.356	30	20	AGED	
C#C[C@@H](CC)N[C@H](C)CCC=C(C)C	379600936	LHJMPSMRYRLKPQ-OLZOCXBDSA-N	193.334	3.123	30	20	AGED	
CCCN(CCC#N)CC(CC)CC	610392380	GLGKQLJNGVSRGW-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CC[C@@H]1C[C@@H]1c1ccccc1	138154224	VZORDBUUQFXRHS-VXGBXAGGSA-N	158.244	3.366	30	20	AGED	
C=C(C)COc1cccc(C)c1F	227297098	XZFCURXTEMOXDM-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
CCCCCCON=C1CCC1	307986754	RGLJPIBEIXDIEM-UHFFFAOYSA-N	169.268	3.123	30	20	AGED	
C=CCC(C)(C)CNC[C@@H](C)CC	310590623	YYEJGHFEVIMMEH-NSHDSACASA-N	183.339	3.224	30	20	AGED	
C=CCCCC[C@H](C)NCCCC#N	590647673	KMTIJMPOODRWJR-LBPRGKRZSA-N	194.322	3.015	30	20	AGED	
C=C(C)c1ccc(CC(C)(C)O)cc1	82088305	VIAUVTZHGKIPPJ-UHFFFAOYSA-N	190.286	3.033	30	20	AGED	
C=C(CC)C[C@@H]1CCCCC[C@@H]1O	85064602	KZMLIQNNNPTPBP-RYUDHWBXSA-N	182.307	3.284	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCC=C(C)C	308152772	PGUVEROYOHZRKL-RYUDHWBXSA-N	181.323	3.143	30	20	AGED	
CC(C)(C)CS[C@H]1CC[C@H](C#N)C1	336255233	CXTKCFTXGYTWNP-UWVGGRQHSA-N	197.347	3.458	30	20	AGED	
C=CCCN1CCC[C@@H]2CCCC[C@@H]21	662374801	OAHZWKIRMPXFIU-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=CCNc1ccc(C)cc1SC	669385540	WWDUXQFGPZUDEP-UHFFFAOYSA-N	193.315	3.315	30	20	AGED	
CC/C(=N\c1cccc(F)c1)S[O]	1857775870	ULIOHCFSESOKIH-PKNBQFBNSA-N	198.242	3.344	30	20	AGED	
C[C@H]1CCCC[C@]1(C=O)C1CCC1	307602310	WJUQXJWPDMEMKK-CMPLNLGQSA-N	180.291	3.182	30	20	AGED	
CCON=C1CC[C@H](C)C[C@@H]1CC	308202084	ZFXAHJPWAIIPFY-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
CCCCC[C@@H](C)NCC(C)(C)C#N	126415634	PTCWVHZHERZRDA-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=C(C)CCN[C@@H](C)c1ccccc1	168050859	PTEBLGWIOCADBH-LBPRGKRZSA-N	189.302	3.303	30	20	AGED	
CC(C)(C)ON=C[C@H]1CC=CCC1	308161090	VAVJFNJYMVGLPF-JTQLQIEISA-N	181.279	3.144	30	20	AGED	
C=C(C)CCN(C)C1CCCCC1	308268619	QVWNNEQTOUYGEL-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=CCCS[C@@H](C)CCC	591385803	OGZKNTOZDFKAOQ-VIFPVBQESA-N	158.310	3.484	30	20	AGED	
C=CCCCCN(CC)C1CCC1	649317475	NOHLAZKGIJMHAS-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=CC[C@H](C)NC[C@H]1CCC[C@@H](C)C1	161242665	HDCQXFMGUJWOLF-AGIUHOORSA-N	195.350	3.367	30	20	AGED	
C=CCCCCN[C@H]1CC[C@@H]1CC	388671454	YDZIWHOSEKCABK-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN1CCC[C@H]2CCC[C@H]21	678624717	MREDBNZPRGRQPG-CHWSQXEVSA-N	193.334	3.217	30	20	AGED	
CC(=NN[C@@H](C)C(C)(C)C)C1CCC1	793115156	KSBMADQVGRYDHC-JTQLQIEISA-N	196.338	3.187	30	20	AGED	
CCCN(C)CCCCC(C)(C)C#N	233026446	MBNAZOAEXJFFPR-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=C(Cl)CNC[C@H](C)CC(C)C	300904756	LHSCSEPNMBXXOL-SECBINFHSA-N	189.730	3.011	30	20	AGED	
C/C=C/C[C@@]1(C=O)CCCC[C@H]1C	306413543	SKIPHHUAZOIADO-LXYZTQFVSA-N	180.291	3.348	30	20	AGED	
C=CCN1CCC[C@](C)(CCC)C1	308230873	ORYPKSYBLUGDEB-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=C(C)CNC[C@@H]1CCC[C@@H](CC)C1	379593263	BLKMNMJFZMVFJE-CHWSQXEVSA-N	195.350	3.369	30	20	AGED	
CC(CC1CC1)=NOC1CCCC1	393548554	LSEWMRYBYJPGSQ-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=CCC1(C(=O)O[C@@H](C)CC)CCC1	791558650	QTWLFENIGOYXTK-JTQLQIEISA-N	196.290	3.075	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CC=CCC1	126877137	MRGPGKOPYGWNSA-RYUDHWBXSA-N	179.307	3.039	30	20	AGED	
C=CCC(C)(C)CN[C@H](C)CCC	310374676	ZCFQPBKBPJKZSG-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
CON=C(CC(C)C)CC(C)C	388450061	XYHNUHGEMBIBRF-UHFFFAOYSA-N	171.284	3.081	30	20	AGED	
C=CCNC(C)(C)C1CCCCC1	388824410	UXZIXYSXSRYZIF-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](CC)N[C@H]1CCC[C@@H]2C[C@H]12	393789818	YAEPDAZMJBHCGL-NDBYEHHHSA-N	193.334	3.119	30	20	AGED	
CCCCCCCc1nnc(CC)o1	1255057102	PZSXEPZACAJWNV-UHFFFAOYSA-N	196.294	3.145	30	20	AGED	
C=C(C)CN[C@H](C)c1ccc(C)s1	51753490	SWMQJYLSSNVCKP-SNVBAGLBSA-N	195.331	3.283	30	20	AGED	
C=C[C@@H](C)N[C@H](C)CCC=C(C)C	308252474	IJVFBGRMUHOPHX-VXGBXAGGSA-N	181.323	3.285	30	20	AGED	
C=C(C)CCc1noc(C=C(C)C)n1	349773718	YLZVXXZXIAFCDS-UHFFFAOYSA-N	192.262	3.002	30	20	AGED	
C=CCC[C@@H](C)NCCC=C(C)C	379380471	DWFQPALKTJGNTA-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
CCCCCCCNC1(C2CC2)CC1	393662130	YJKAWAKFSFLTOP-UHFFFAOYSA-N	195.350	3.489	30	20	AGED	
C=C(C)CCN(C1CC1)[C@H](C)C1CC1	681399520	WUZXFBDOLWFNCO-LLVKDONJSA-N	193.334	3.216	30	20	AGED	
CC(C)CNN=C1CCCCC[C@H]1C	844588167	OJOPBTFKUXWGSR-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
C[C@@H]1CCC[C@H](CC2(C=O)CC2)C1	306319464	AIENBEQPZBCIQO-MNOVXSKESA-N	180.291	3.182	30	20	AGED	
CC(C)C[C@@H](C)C=NOC1CCC1	308145973	LSDDCBRBEVGYKM-SNVBAGLBSA-N	183.295	3.224	30	20	AGED	
C=C(C)CN1CC[C@@H]1c1ccccc1	335914348	ZNSRYSCBEFXNNN-CYBMUJFWSA-N	187.286	3.010	30	20	AGED	
C=CCCN(C)[C@H]1C=CCCCCC1	645129513	SVPDKTFNAPFUOE-ZDUSSCGKSA-N	193.334	3.383	30	20	AGED	
C=C(C)CCN1[C@H]2CC[C@H]1CC(C)C2	662129004	VESCPEWVXMPXQP-STQMWFEESA-N	193.334	3.216	30	20	AGED	
C=CC[C@H](C)C(C)=NOCC1CC1	308295566	UOFRXOPWFTWYBS-VIFPVBQESA-N	181.279	3.001	30	20	AGED	
C=CCC1(C(=O)OC(C)C)CCCC1	590781643	JPXCXWMLFDYPDW-UHFFFAOYSA-N	196.290	3.075	30	20	AGED	
CCC[C@H](N[C@@H](C#N)CC)C(C)(C)C	591242751	ANEZCAOUYDEKJO-MNOVXSKESA-N	196.338	3.093	30	20	AGED	
C=CCCNc1nccc(C)c1Cl	664226425	IGQRTGWWDSKUMH-UHFFFAOYSA-N	196.681	3.031	30	20	AGED	
CCCCCN[C@@H](C)CC(C)(C)C#N	695884460	CPPNGZJCHROVRX-NSHDSACASA-N	196.338	3.095	30	20	AGED	
C=CCOC(=O)C1(C)CCCCCC1	781301237	YMIDTTBDFZAWOR-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C[C@@H]1CCC(=NNc2ccccc2)C1	814684470	VEGIAAPVKNRFPJ-SNVBAGLBSA-N	188.274	3.275	30	20	AGED	
N#CCCCSCCCC1CC1	865289072	YIOJHTJDAOVESM-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CCN[C@H](CC)C1CCCCC1	52338672	FPOOQINRWSYEIT-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CCC[C@@H]1C	126871759	CQPUNMRILKQFHW-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C#CCCCN(CC)C1CCCCC1	161094941	ZHTWAGMXBFPUQI-UHFFFAOYSA-N	193.334	3.054	30	20	AGED	
C=CCC[C@@H](C)NCCC(C)(C)C	164599558	PWYCWGAUIHMSFM-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=C(Cl)CSc1ccoc1C	306927085	RZUSKRBNDRUTNU-UHFFFAOYSA-N	188.679	3.433	30	20	AGED	
CC[C@H](C)CON=C(C)[C@H](C)CC	379359582	ZCCQESYCLVXZQG-VHSXEESVSA-N	185.311	3.471	30	20	AGED	
CCC(CC)(CC)SCC#N	388039530	OIADHDUFXIEEII-UHFFFAOYSA-N	171.309	3.212	30	20	AGED	
CC[C@H](C)NN=C[C@H]1CCC[C@H](C)C1	790184524	XKYSKFFGMZUCNL-SRVKXCTJSA-N	196.338	3.187	30	20	AGED	
Cc1cc(C)cc(C2(C#N)CCC2)c1	35660846	TZGPUBAOEMALJE-UHFFFAOYSA-N	185.270	3.249	30	20	AGED	
C=C[C@H](C)N[C@H]1CCCCC[C@H]1C	300332706	GVCJITQDNZBDPO-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
CC[C@H](C#N)SC/C(C)=C/Cl	307761188	YKVHGYQZOSBGIX-RXLGXGPVSA-N	189.711	3.164	30	20	AGED	
C=CCCCN1C[C@@H](C)CC1(C)C	308315891	VKCBZJGXUPWCEW-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=CCCCCCN(CC)C1CC1	379364584	MRVFHOGEEAXMRN-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C=C(C)CCSc1nc(C)c(C)o1	379412778	KXEJSUOWXQKNLB-UHFFFAOYSA-N	197.303	3.350	30	20	AGED	
CC(C)CCCSCCCC#N	388524872	ZCZXWQSIHJTYEJ-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C=CC(C)(C)CN[C@H](C)C1CCCC1	395407211	WBJRBFPYDZFWAF-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
CC(C)(C)CSCC1(C#N)CCC1	590738623	SURAHXFJZQCHKB-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
CCC(CC)S[C@H](C#N)C1CC1	601076559	OIIUXIHUZINSON-SNVBAGLBSA-N	183.320	3.210	30	20	AGED	
C=C(CC)CN1CCC[C@H]1CC(C)C	678623809	MYFSCUDHHBFQKZ-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
CC(C)CNN=C1CC[C@@H](C)C[C@H]1C	783865060	VWFJUHJESQVYGP-GHMZBOCLSA-N	196.338	3.044	30	20	AGED	
CC(C)=CCC[C@@H](C)[C@@H](C)C=O	34402396	RQJWDOKNRPUUJN-MNOVXSKESA-N	168.280	3.204	30	20	AGED	in-vitro
N#CCC(C1CCC1)C1CCC1	260754239	MDMGAJYQKXROBA-UHFFFAOYSA-N	163.264	3.116	30	20	AGED	
C#C[C@H](CC)N[C@@H](C)[C@@H](C)CCCC	308749148	SVIUOPPVLZUDCE-RWMBFGLXSA-N	195.350	3.203	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@@H]1CC	379397503	OJCVFCQMSJWZJD-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
CC(C)=CCON=Cc1cccs1	379401127	KCPKUYQGXOHSOP-UHFFFAOYSA-N	195.287	3.065	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCCC[C@@H]1C	385073737	XAYYFDSBEAKKDB-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
CCCN(CC(C)C)[C@H](C)CCC#N	591012027	KPBUAANRSDRCKJ-GFCCVEGCSA-N	196.338	3.047	30	20	AGED	
C=C[C@@H](C)N[C@@H](CC)CCCC	157288230	JPXPHFAXJVTQRE-MNOVXSKESA-N	169.312	3.119	30	20	AGED	
C=CCC[C@@H](CC)NCC=C(C)C	308446081	BGBLPNKRJDXQDG-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@H](C)C1	308648815	JETXGZOVRYLNDA-ZDEQEGDKSA-N	195.350	3.365	30	20	AGED	
C=C(C)CN(C)c1cccc(C)c1C	615457331	IGARPGPQOWISIS-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
C=CCN(C)C[C@H]1CCCC(C)(C)C1	681751298	WBQFDMFZAABUBS-LBPRGKRZSA-N	195.350	3.321	30	20	AGED	
CCC(C=NNCCC(C)(C)C)CC	782903583	YFAWQHQDEJHINA-UHFFFAOYSA-N	198.354	3.434	30	20	AGED	
C=C[C@@H](C)ON=C[C@@H](C)C(C)(C)C	844624940	KJSBAZSLUDUNHU-NXEZZACHSA-N	183.295	3.246	30	20	AGED	
CC[C@H](C#N)Sc1ccc(C)cc1	43557485	WOXTWJRCGGGXBX-SNVBAGLBSA-N	191.299	3.389	30	20	AGED	
CC(C)CC[C@@H](S)C1CC1	306864167	KUYAOISXNNFXPK-SECBINFHSA-N	158.310	3.131	30	20	AGED	
C=CC[C@@H](CC)NCC(CC)CC	308235320	QQQBWMJBFSDSGC-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C=C(CC)CSCCCOCC	379329265	UBKJAFCIZLNTFA-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
C=CCCCCCN[C@@H](CC)CC#N	594006537	FCPZDSQKRCSVPW-LBPRGKRZSA-N	194.322	3.015	30	20	AGED	
C=CCCCCN(C)Cc1ccco1	649225150	MBVXESSPQKEKRP-UHFFFAOYSA-N	193.290	3.068	30	20	AGED	
C=CCCN[C@H]1CCCC[C@H]1C1CC1	658115466	VUABUCRHXJTJDK-STQMWFEESA-N	193.334	3.121	30	20	AGED	
C=CCCCC(=O)O[C@@H]1CC[C@@H](C)C1	779258656	MFPHBFRYUMBKJH-GHMZBOCLSA-N	196.290	3.075	30	20	AGED	
C[C@H]1CCC(=NOCC2CC2)C[C@@H]1C	814244307	MVTDDBMTSMQNJA-UWVGGRQHSA-N	195.306	3.225	30	20	AGED	
CCC(=NNCC(C)C)C1CCCC1	1261277558	CPABOUCFYGDUJN-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
C=CCC[C@@H](C)Nc1ccccc1	96033079	GLRQGOUGXSVLMO-LLVKDONJSA-N	175.275	3.453	30	20	AGED	
CCC1CCC(C=O)(C2CC2)CC1	306410079	MRQZRJUUHNRVMN-UHFFFAOYSA-N	180.291	3.182	30	20	AGED	
C=CCN(CCCCCC)C1CC1	379395116	YOXQRNGZEMLGGJ-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
N#CCCSCCC1CCCC1	591133932	VTVPSBPODHUQIE-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
CCCON=C(C)C1CCCCC1	842565686	KXZFFDDTTLCBQP-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CCCCCC[C@H](C)NC[C@@H](C)C#N	42207593	SGJZWNXZUSIOMB-RYUDHWBXSA-N	196.338	3.095	30	20	AGED	
CC#CCSCc1cccc(F)c1	307752392	RLUANWDRTKTYRX-UHFFFAOYSA-N	194.274	3.082	30	20	AGED	
C=C(C)CCN1CCC(C)(CC)CC1	681402196	WZZOWNLAHJYUNR-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC[C@H](C)CC=NN1CCCC[C@@H]1C	853382348	YFZDGKCZMOTSPO-RYUDHWBXSA-N	196.338	3.283	30	20	AGED	
CC[C@H](C)N(CC)CCC(C)(C)C#N	83640509	WPMPRTCXCIEBBK-NSHDSACASA-N	196.338	3.047	30	20	AGED	
C=CCN[C@H]1CCCCC12CCCC2	306920530	MLHPLMLNOHBXQK-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
C=CC[C@@H](CC)N[C@@H](C)CC1CC1	308318059	WWBWUDRQGUMYKF-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
CCC(CC)=NN[C@H](C)C(C)(C)C	379415247	PMKGEWLRJZYCLG-SECBINFHSA-N	184.327	3.187	30	20	AGED	
C=CCCCOc1ccc(F)cc1F	379531863	JGDAWPVDLDMAIN-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
C=C(C)CCNC[C@@H](C)CC(C)C	386892525	NQGZJIHUCGSTQI-LBPRGKRZSA-N	183.339	3.224	30	20	AGED	
C=CCC[C@@H](CC)NC/C=C\CC	648716755	SJZKJCNETDJVQD-ZVTBTPLYSA-N	181.323	3.287	30	20	AGED	
C=C(C)CCOC(=O)[C@@H](C)[C@H](C)CC	780392112	ILOASTXVHQDVAY-MNOVXSKESA-N	198.306	3.178	30	20	AGED	
N#Cc1cc(C(F)F)cc(C2CC2)c1	1898225675	NUBSQKFBMRXFDC-UHFFFAOYSA-N	193.196	3.373	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1ccccc1F	136203840	DAFDMLBBDMQLLG-ZJUUUORDSA-N	193.265	3.051	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1ccc(C)cc1	157293323	KOAXTTFYVMMDEH-NEPJUHHUSA-N	189.302	3.220	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC[C@@H](C2CC2)C1	224558458	MJJFUFHIDOUOJP-UHTWSYAYSA-N	193.334	3.119	30	20	AGED	
CCC(CC)S[C@@H](C#N)CC	307890087	YOOJPWLYVPACFF-SECBINFHSA-N	171.309	3.210	30	20	AGED	
C#CCCCCN[C@@H](C)CC(C)(C)C	384853182	GCFVSSROXPLUMO-LBPRGKRZSA-N	195.350	3.204	30	20	AGED	
CON=C(CC(C)C)c1cccs1	388642657	PEMLBYSJTPFANN-UHFFFAOYSA-N	197.303	3.145	30	20	AGED	
CCC(CC)NN=C(C)C1CCCC1	734364995	ORTXFEJGHILMRM-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
C=CCOC(=O)CCCC1CCCC1	744042600	VSXFMHRLAODGNI-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=C(CC)COC(=O)C(C)(C)C(=C)C	821303373	OXTKBZYNZAAUJE-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
C=CC(C)(C)C(=O)O[C@@H](C)CC(C)C	835101338	RETINWDFIGMFNV-JTQLQIEISA-N	198.306	3.176	30	20	AGED	
C=C(CC)C(=O)N[C@@H](C)CCCCC	1348483654	PCURGEPZTCHWRD-NSHDSACASA-N	197.322	3.038	30	20	AGED	
C[C@H](c1ccc(C#N)cc1)C(F)(F)F	1898227451	PGVHBYUPTZCNPY-SSDOTTSWSA-N	199.175	3.224	30	20	AGED	
Cc1cc(C)cc(CSCC#N)c1	87196905	KLBDGEJSURJOML-UHFFFAOYSA-N	191.299	3.060	30	20	AGED	
CCC(C)=NOC1CCCCC1	307963365	YZFKLIKXLPGENN-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C#Cc1cccc(N[C@@H]2CC[C@@H]2CC)c1	309088383	BGOREGBOQOMTPQ-GXTWGEPZSA-N	199.297	3.268	30	20	AGED	
C=C(CC)CN[C@H](C)CC1CCC1	313499143	OQZHQYBOLGWAKI-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)CC(C)(C)C	384962118	SHKAANYUOIRIMJ-GHMZBOCLSA-N	183.339	3.365	30	20	AGED	
C=C(C)CCN1CC[C@H](C)C[C@@H](C)C1	681406932	FYRWGMANSFHLEG-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
CC[C@H](C)CON=C1CC[C@@H]1C1CC1	814938868	XEBFKLUNIXTKRQ-GXSJLCMTSA-N	195.306	3.225	30	20	AGED	
C#CCCCCN[C@@H](C)CCC(C)C	222289835	CIGILKPPDNFQBF-ZDUSSCGKSA-N	195.350	3.204	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CCC1(C)C	388603739	UFRKNEYOADWXEH-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
C=CCCCCS[C@@H](C)COC	591385772	PMPMZLMISUPLSE-JTQLQIEISA-N	188.336	3.111	30	20	AGED	
CC1(C)CCCCC1=NOCC1CC1	814243887	RRVWVINOTYSAGQ-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
CC[C@H](C)C(C)=NN1CCCC[C@H]1C	853379021	LUOYZVJMOTWWIZ-WDEREUQCSA-N	196.338	3.283	30	20	AGED	
C=CC[C@H](C)N[C@H](C)CCCC	161668956	WGOAHZIQURCZRW-WDEREUQCSA-N	169.312	3.119	30	20	AGED	
C#CCNc1c(C)cc(C)cc1Cl	307591232	CERFTOMJVQOZSW-UHFFFAOYSA-N	193.677	3.002	30	20	AGED	
C=C[C@H](C)N[C@H](CC)[C@@H](C)CCC	308208159	DRPROQSGFAQKNH-SDDRHHMPSA-N	183.339	3.365	30	20	AGED	
C=CCCCCNCC(CC)CC	308240404	YDGGOVMNGKQSBM-UHFFFAOYSA-N	183.339	3.369	30	20	AGED	
C=CCN(CC)[C@H]1CCCC[C@H]1C	308475805	LWWBPGQYFPPALW-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCC[C@@H](C)NCCCF	648479116	WPYLQIQIWILDKF-LLVKDONJSA-N	187.302	3.071	30	20	AGED	
C=CCCN(C)CCC1=CCCCC1	649471448	RHNPKEMHOQNGFH-UHFFFAOYSA-N	193.334	3.385	30	20	AGED	
CCC(CC)NN=C[C@@H]1CC=CCC1	734366263	KQTAMBQIJILHMU-LLVKDONJSA-N	194.322	3.107	30	20	AGED	
C=CCCCOC(=O)C=C(CC)CC	759466928	YFJPEIFHRFMATR-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
C[C@@H]1CC[C@@](C=O)(C2CCCC2)C1	306197704	OHRUWUDAJIABOP-ZYHUDNBSSA-N	180.291	3.182	30	20	AGED	
C=CCCSC[C@H](C)CC	307417286	KQDFYGOMPPNFBQ-SECBINFHSA-N	158.310	3.342	30	20	AGED	
C=CCN(CC=C)CCC1CCCC1	642243065	YQTMTGGCDQKCGU-UHFFFAOYSA-N	193.334	3.241	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCC(C)(C)C=C	648733033	MYWWDPGWCGHSJH-NWDGAFQWSA-N	195.350	3.389	30	20	AGED	
C=CCON=C(CC)C[C@@H](C)CC	835015695	MVBIBTPBAQTTTD-JTQLQIEISA-N	183.295	3.391	30	20	AGED	
C=CCCCC[C@H](C)N[C@@H]1C=CCC1	850509506	RBHZNBDBGVGGFS-QWHCGFSZSA-N	193.334	3.430	30	20	AGED	
CC[C@@H](C)C1(C=O)CCCCC1	306255613	MXOMSHVGKHGUSU-SNVBAGLBSA-N	168.280	3.182	30	20	AGED	
N#CCCCCSCC1CC=CC1	596412444	FYZOLYCTLXIWQL-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
CC(C)ON=C1C[C@@H](C)C[C@H](C)C1	835000696	QCJOFGBTUCLDBV-UWVGGRQHSA-N	183.295	3.224	30	20	AGED	
CC[C@@H]1CCCC1=NOCC1CCC1	853439803	RFQOETGKHLRSNL-LLVKDONJSA-N	195.306	3.369	30	20	AGED	
CC[C@H](C#N)Nc1cccc(C)c1C	43539387	XEMUFHMKVWQFNC-LLVKDONJSA-N	188.274	3.018	30	20	AGED	
C=C(C)COc1cc(C)ccc1C	87555327	YHBMWFATFXUDTL-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
C#CCCOc1c(C)cccc1Cl	306420386	XKDGYSWEAZTCAU-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
C#CC(C)(C)CC=C(C)C	585143270	RQUIEVIRFUSLRQ-UHFFFAOYSA-N	136.238	3.002	30	20	AGED	
CC(C)CNN=C1CC(C)(C)C[C@@H]1C	766030537	UXSAJJWVAYNGBA-JTQLQIEISA-N	196.338	3.044	30	20	AGED	
CC[C@H](C)CS[C@H]1CC[C@H](C#N)C1	590726709	GWEFJZFCYHLCJK-DCAQKATOSA-N	197.347	3.458	30	20	AGED	
C=CCSCC1=CCCC1	592453076	WPDDSVOPEBDHPW-UHFFFAOYSA-N	154.278	3.016	30	20	AGED	
C=C1CCN(CC2CCCCC2)CC1	594733969	JRSQYFNRQKRZNK-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C=CCN(CCC)CC1CCCCC1	618448296	SQCIAUGRIZXITM-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCCN(C)Cc1ccsc1C	646172100	TYSDAHZFLWXLLS-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
C=CCCCCN1CC[C@@H](C2CC2)C1	649402960	LHSZWIVTBXHPID-CYBMUJFWSA-N	193.334	3.075	30	20	AGED	
C=CCCCC(=O)OCC/C=C/CC	749024877	LKAMWBVFZDHJBB-FNORWQNLSA-N	196.290	3.242	30	20	AGED	
C=C(C)CCOC(=O)[C@@H](C)[C@@H](C)CC	780392113	ILOASTXVHQDVAY-QWRGUYRKSA-N	198.306	3.178	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@@H](CC)C1	790189034	MLHHBOBNHKIPAY-WDEREUQCSA-N	196.338	3.331	30	20	AGED	
C[C@@H]1CCCCN1N=C1CC(C)(C)C1	853382153	ULAMAOOJUFUVPO-SNVBAGLBSA-N	194.322	3.037	30	20	AGED	
C=CCCCCN[C@H](C)CC1CC1	308235888	WBLOGCSYOMMVJS-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCCOc1ccc(SC)cc1	388248775	VEDWTTCKADDBPN-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
C=C(C)CN1C[C@H](C)[C@H]2CCCC[C@@H]21	679863464	OZBOCSRHJQMEHG-XQQFMLRXSA-N	193.334	3.073	30	20	AGED	
C=C(C)CON=C[C@@H]1C[C@H]2CC[C@H]1C2	844618189	LCAWGSHPFJBZGF-SRVKXCTJSA-N	193.290	3.001	30	20	AGED	
CC[C@H](C#N)Nc1ccc(C)cc1C	43539061	FYDLVRKYYHIOEQ-LLVKDONJSA-N	188.274	3.018	30	20	AGED	
C=CCCCOc1ccc(Cl)nc1	87543165	WOLRWUAOJRYONL-UHFFFAOYSA-N	197.665	3.080	30	20	AGED	
C=C(C)CCN[C@H]1CCCC1(C)C	169006361	YNMXVVLXZDKBBZ-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C[C@@H](SCC#N)c1cccs1	306445166	PXYFJRHGJOLEOH-SSDOTTSWSA-N	183.301	3.066	30	20	AGED	
C#C[C@H](CC)N[C@@H](C)[C@H](C)CCCC	308749138	SVIUOPPVLZUDCE-FRRDWIJNSA-N	195.350	3.203	30	20	AGED	
C=CCCCNC1(CC)CCCC1	382559047	JXSOBNGACPZDEX-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
C=CC[C@H](CC)N[C@@H](CC)C1CC1	388846480	ZONCJMBFGJFCKA-RYUDHWBXSA-N	181.323	3.119	30	20	AGED	
C=CCC[C@H](C)NC[C@@H]1C[C@H]1C(C)C	648767613	BJMHIDIZLZDVQF-AVGNSLFASA-N	195.350	3.223	30	20	AGED	
C#CCCCN(c1ccccc1)C1CC1	832160506	MDMHUKXHPBTZSL-UHFFFAOYSA-N	199.297	3.069	30	20	AGED	
CC(=NOC(C)C)c1ccccc1C	835004266	KYCSQDXWKDUBEF-UHFFFAOYSA-N	191.274	3.144	30	20	AGED	
C=CCCCN[C@@H]1CCCC[C@@H]1C	70591404	HZCZDFVSPNMAPL-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@@H](C)NCCC1CCC1	164634401	BLFOCKRMWWBUIK-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C#C[C@@H](N[C@@H](CC)CCCC)C(C)C	300930693	NTGKFOMEIBRBFR-QWHCGFSZSA-N	195.350	3.203	30	20	AGED	
C=C(Cl)CN1[C@@H](C)CC[C@H]1CC	306300458	YSYOXQSBVUXSDT-VHSXEESVSA-N	187.714	3.002	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CCC[C@@H]2C[C@H]12	393789821	YAEPDAZMJBHCGL-VOAKCMCISA-N	193.334	3.119	30	20	AGED	
C=CCCN(C1CC1)[C@H](C)[C@@H](C)CC	606897847	IPHPWJSVUDWZER-NWDGAFQWSA-N	195.350	3.462	30	20	AGED	
C=C(C)CCN1CCCC(C)(C)CC1	681404346	QRSUCFZNIJQIJJ-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)C[C@H](C)CC	157267432	GUGFQJSIBUONPQ-WOPDTQHZSA-N	183.339	3.365	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCCC1(C)C	161690753	GGSYDTAFMDSXNB-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
C=CCSc1cc(F)ccc1F	306486077	OCNQOOLTXIWSJR-UHFFFAOYSA-N	186.226	3.243	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC[C@H]1CC	379394462	XJODNUYOVQYNLF-GRYCIOLGSA-N	181.323	3.119	30	20	AGED	
C=C(C)c1ccc([C@@H](C)C#N)cc1	592989227	MLCILAPQCXGCTL-JTQLQIEISA-N	171.243	3.347	30	20	AGED	
C[C@@H](N(C)CCCCC#N)C(C)(C)C	42764050	PVLVPNQYWWYMNR-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
C=C(C)CNc1ccc(C)cc1F	49136993	OGVXFTNIDGLTJS-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=C(C)CCN[C@@H]1CCCC[C@H]1C	168059870	FJQFRYBSTNKVPJ-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C[C@@H]1C[C@@H](S)c2ccccc21	306726752	ASVIHZIMLIZHPE-GMSGAONNSA-N	164.273	3.165	30	20	AGED	
C=CCCCCN[C@H]1CC[C@H](C)C1	308147762	PEMYCHBPQRMLPU-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CCN(CC)c1ccccc1C	308355801	KOEZRDFFWQMODM-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
C=C(C)CN(CC)CCCCCC	308362037	MKPBHBZDIKOEED-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
C#C[C@@H](CC)N[C@@H](C)CCCC(C)C	229519105	FZSJLPVEZHSJHZ-STQMWFEESA-N	195.350	3.203	30	20	AGED	
C=C(Cl)CN1CCC[C@H]1C1CCC1	306294972	YNKFCIGQBZQCTD-NSHDSACASA-N	199.725	3.003	30	20	AGED	
CC[C@@H]1CC[C@@](C=O)(C(C)C)C1	306595201	UAXGLTPFTUHOIL-GHMZBOCLSA-N	168.280	3.038	30	20	AGED	
CC(C)CCCS[C@H](C)C#N	379186981	RSWZYGCTVMUOBP-SECBINFHSA-N	171.309	3.068	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CCC[C@@H]2C[C@@H]21	393776369	YAEPDAZMJBHCGL-MROQNXINSA-N	193.334	3.119	30	20	AGED	
C=C(C)CN1CCCC[C@H]1CC(C)C	675127378	LGZSMFGUYZWZEX-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
CC1CCC(CON=CC2CC2)CC1	853735411	UXOXVAPKUKYODN-UHFFFAOYSA-N	195.306	3.225	30	20	AGED	
CCC[C@@H]1CCC[C@]2(CC1)O[C@H]2C#N	306227121	WFYPMKHHNUXFIJ-GRYCIOLGSA-N	193.290	3.028	30	20	AGED	
C#C[C@H](N[C@H](C)CC(C)C)C(C)(C)C	308518267	NSBIKPHYLUDLAB-NEPJUHHUSA-N	195.350	3.059	30	20	AGED	
C=C(C)CCN(CC(C)C)C(C)C	379389700	MCIRNJQYMDEKHJ-UHFFFAOYSA-N	183.339	3.319	30	20	AGED	
C=CCCN[C@H](CC)C1CCCC1	387485975	XKNQNIKUIGZUDG-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCCC1CCC1	389274700	NUYYHLIPJYSCNK-NWDGAFQWSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN[C@H](C)CCC1CC1	398139341	INTCDNZJRRJVHQ-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=CCCCCN(C)C1CCCC1	649233670	IMBNKSSVDCEAQN-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
S[C@@H]1CCCc2sccc21	61326658	RRKKBFDAGRFMGL-SSDOTTSWSA-N	170.302	3.055	30	20	AGED	
C=C(C)CCNCc1sccc1C	169007218	BMMGVNVDFMOZCH-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
C=C(C)CN[C@]1(C)CCCC[C@H]1C	306264565	CXAZYCRXNOHGNH-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
CCON=C[C@H]1CCC[C@@H](CC)C1	308317827	YELLLPCWNDVGGU-MNOVXSKESA-N	183.295	3.225	30	20	AGED	
C=CC[C@H]1CCCN(CC2CCC2)C1	661379965	KALDLMBQSQKTJJ-LBPRGKRZSA-N	193.334	3.075	30	20	AGED	
C=C(C)CCN(C)c1ccccc1F	681408007	IREOLQJHMSSYNX-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
C=C(C)CN1CCC2(CCCC2)CC1	738343574	PVTWHEMJTIPVLJ-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C1CC(ON=C2CC3(CCCC3)C2)C1	901245966	KCHFXNJMYINGDX-UHFFFAOYSA-N	193.290	3.266	30	20	AGED	
C=C(C)CCN[C@H](CC)CCC	168980023	PXMVIDZIIRGMPH-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
CC(C)C[C@@]1(C=O)C[C@H]2CC[C@H]1C2	306223710	ZQYQZURKYCBPCC-SRVKXCTJSA-N	180.291	3.038	30	20	AGED	
CC1(C)CCC(SCC#N)CC1	306337335	WIXRQLSKEGSXPI-UHFFFAOYSA-N	183.320	3.212	30	20	AGED	
C=CCCCN1CCC[C@H](C)CC1	308188622	LUKQWARUWMXNKC-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CCCN(C)[C@H]1CCC[C@H](C)C1	308193435	PDAORSVOQJXZDW-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCN(CC)[C@H]1CCCC[C@@H]1C	308475834	LWWBPGQYFPPALW-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCCCCN[C@@H]1CC=C(C)CC1	308677014	WMNDIFMTINHKIO-CYBMUJFWSA-N	193.334	3.431	30	20	AGED	
CC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1	70586430	OQSWCVRBDZMAJQ-HWKVENISSA-N	190.242	3.005	30	20	AGED	
C=CCCOc1c(C)cccc1C	96867223	XNIMALIBHNSNHY-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCC[C@H](C)C1	126885720	CZBBYUQGUBYUQY-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
C=CCCNCC1CCCCCC1	168523168	SORMIGWSUCEREM-UHFFFAOYSA-N	181.323	3.123	30	20	AGED	
C=CCCNCC(C(C)C)C(C)C	229550338	FIVUAXKSCXFTCT-UHFFFAOYSA-N	183.339	3.080	30	20	AGED	
CC[C@H](C)C1(C=O)CCCCC1	306255612	MXOMSHVGKHGUSU-JTQLQIEISA-N	168.280	3.182	30	20	AGED	
C=CCN1CCC[C@H](C)[C@H]1CCC	308247698	YAXAJRGIENRWGD-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=C(C)c1ccc2c(c1)C[C@H](C)O2	649444251	KCGKLJWIGYVKCG-VIFPVBQESA-N	174.243	3.043	30	20	AGED	
C=C(C)CON=C1CCCC1(C)C	844618953	OXRCMSKVEXMFNU-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C[C@H]1CCCC[C@@H]1CON=CC1CC1	853736068	KPICGSSHPVMVIN-CMPLNLGQSA-N	195.306	3.225	30	20	AGED	
CCCc1ccc(C=NOCC)s1	857208504	XZBZERJMOOGFPS-UHFFFAOYSA-N	197.303	3.071	30	20	AGED	
CC1(C[C@]2(C=O)CCCS2)CCC1	307368116	PODRWVZPNSXGGZ-NSHDSACASA-N	198.331	3.031	30	20	AGED	
C#Cc1cc(-c2cccs2)cs1	585144548	WBJGLSLYKALIRW-UHFFFAOYSA-N	190.292	3.458	30	20	AGED	
C[C@@H]1CCCC[C@H]1CSCCC#N	594904030	ZXXUTESGGHDHFL-MNOVXSKESA-N	197.347	3.460	30	20	AGED	
C=C(C)COc1c(C)cccc1C	32302000	MBLJCVCZQKFIEH-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
C=CC[C@H](C)NC1C[C@@H](C)C[C@H](C)C1	158997000	YGEONFZFWDFULU-SRVKXCTJSA-N	195.350	3.365	30	20	AGED	
C=C(C)CNC(=O)CCCCCCC	160642315	RPDGRFNHPPRPQB-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=CCCCSCCCF	306484734	MWQJXSZVTIGZPF-UHFFFAOYSA-N	162.273	3.045	30	20	AGED	
C=CCC[C@H](C)N[C@H](CC)C1CC1	324196570	SBIBJEJPEZAPBW-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
CC(C)[C@H](C)S[C@@H](C)CCC#N	591128588	WCKDVFOZQSUCDK-UWVGGRQHSA-N	185.336	3.456	30	20	AGED	
C=CCCCN(C)c1ccccc1F	605150219	MKIFDRSCFDVEFK-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
C=C[C@@H](C)ON=C[C@H](C)CC(C)C	844625109	LGXNKOFWAWBNCT-GHMZBOCLSA-N	183.295	3.246	30	20	AGED	
C=CCC[C@H](C)Nc1ccc(C)cn1	134940843	KCFCFRRGOCRTSO-NSHDSACASA-N	190.290	3.157	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CCCC[C@@H]1C	307558287	DDWYVCMLUMSVGK-SDDRHHMPSA-N	182.307	3.428	30	20	AGED	
CCON=C1CC[C@H](C)C[C@H]1CC	308202085	ZFXAHJPWAIIPFY-VHSXEESVSA-N	183.295	3.225	30	20	AGED	
C[C@@H]1CC[C@H](C=NOC(C)(C)C)C1	379395440	ZLXRJQVFZNMTBP-ZJUUUORDSA-N	183.295	3.224	30	20	AGED	
C=CCCN(C)c1cc(C)cc(C)c1	606897058	KHZIETMSLPAFLI-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
C=CCC[C@@H](C)NCC[C@H](C)CC	658123373	ZQCUPNGLCFIKGI-VXGBXAGGSA-N	183.339	3.367	30	20	AGED	
CC1=CC(=NN[C@@H](C)C(C)(C)C)CC1	793112086	OXGRAFBZHNNQPP-JTQLQIEISA-N	194.322	3.107	30	20	AGED	
C=C[C@H](C)ON=C1CC(C)(C)C[C@H]1C	844626468	WCZYZYLLYIZWTI-ZJUUUORDSA-N	195.306	3.390	30	20	AGED	
CCCCCCC[C@@H](C)CNC(C)=O	917872648	NRPRKQXGYHUZQY-LLVKDONJSA-N	199.338	3.119	30	20	AGED	
C=CCCCc1nnc([C@H](C)CC)o1	1349934222	KSPLFYIQEUKQGB-SECBINFHSA-N	194.278	3.092	30	20	AGED	
CC/C(=N\c1ccc(F)cc1)S[O]	1857775864	MJJWRSMFJZDZCE-PKNBQFBNSA-N	198.242	3.344	30	20	AGED	
C=C[C@@H](C)N[C@H](C)C1CCCCC1	157235089	UPYHRLLPNZFOHG-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCN1[C@@H](C)CCC[C@H]1C	306166852	UNFZUROMISLFIR-TXEJJXNPSA-N	181.323	3.216	30	20	AGED	
C=CCN(CCCC(C)C)C1CC1	379388045	ISASCEBEBOSLEY-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CNC[C@@H](C)C(C)(C)C	162855025	DEVDBSCDXHLYBO-LLVKDONJSA-N	183.339	3.224	30	20	AGED	
C=C(C)COc1ccc(C)c(C)c1	307585540	MDNQHBFCJAVZIZ-UHFFFAOYSA-N	176.259	3.258	30	20	AGED	
CC#CCSc1ccc(C)cc1C	307695972	JTICFTPTINFRPB-UHFFFAOYSA-N	190.311	3.419	30	20	AGED	
C=CCN(CC1=CCCC1)C(C)(C)C	661758435	RYKUDARGXRVPKD-UHFFFAOYSA-N	193.334	3.383	30	20	AGED	
C=CCCC(=NO[C@H](C)C=C)C1CC1	844622091	ULIKRUSSTRCMSO-SNVBAGLBSA-N	193.290	3.310	30	20	AGED	
CC(C)(C)CC=NOCC1CCC1	853439698	OTQZUEHXYFIOPG-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CCCc1csc(CC2CC2)n1	308338899	PTYRNFCCJDNIBD-UHFFFAOYSA-N	193.315	3.214	30	20	AGED	
C=CCCCCCCNCC1CC1	388621146	FMSZAIXXJVPHMF-UHFFFAOYSA-N	181.323	3.123	30	20	AGED	
C=C(C)CCN1CC[C@@H]2CCCC[C@@H]21	645954723	UYBAZAINYMONMC-STQMWFEESA-N	193.334	3.217	30	20	AGED	
CCCCCCCSC[C@H](C)O	840211215	MCACGMQZZSBJHM-JTQLQIEISA-N	190.352	3.071	30	20	AGED	
CCC(=NOCCC1CC1)[C@H]1C[C@H]1C	841640439	JYKTVQQOWQNNGN-KOLCDFICSA-N	195.306	3.225	30	20	AGED	
C#CCSc1ccccc1Cl	41634779	IMNSIQHUQRMJHZ-UHFFFAOYSA-N	182.675	3.065	30	20	AGED	
C=CCCNc1cccc2cc[nH]c12	306954979	POBCCYSZGNUIJX-UHFFFAOYSA-N	186.258	3.156	30	20	AGED	
C=CCN(CC)CC1CCCCC1	308229786	OHUINTZBFUAZJH-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
N#Cc1ccc(OCC2=CCCC2)cc1	401139823	XVJIZFXJFZKLSA-UHFFFAOYSA-N	199.253	3.047	30	20	AGED	
C=CCON=C1CCCC(C)(C)C1	835013812	YSXSMROUFURZSE-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CCC[C@@H](C)Nc1cc(C)ccn1	134940717	JOWJGHZQPHMACB-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
CON=C(C)CCC1CCCCC1	379405411	TYNMVBNZCKXJEW-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CCC(CC)(CC)CNCCCC#N	379603067	NJLSNOZHDFYQEL-UHFFFAOYSA-N	196.338	3.096	30	20	AGED	
CCCCN(CC)C[C@H](C)CCC#N	602429656	RQPKXMAFAIPLSW-GFCCVEGCSA-N	196.338	3.048	30	20	AGED	
C=CCCCCCN1CC[C@@H](CF)C1	880298649	GVXFPJSLPNKCNS-LBPRGKRZSA-N	199.313	3.024	30	20	AGED	
C=CCOc1ccccc1C(C)C	32296749	ZRTGNSUOVSGTFW-UHFFFAOYSA-N	176.259	3.375	30	20	AGED	
C=CCCCN(C)[C@@H](C)CCCC	308475789	LWVPABJFIPGYOA-LBPRGKRZSA-N	183.339	3.463	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)[C@@H](C)CC	388640521	OKCQFQRZZKFJGK-TUAOUCFPSA-N	183.339	3.365	30	20	AGED	
C=CCCCN(C1CCCC1)C1CC1	605149909	NZXWHSMWXUPVKF-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
C=C(C)CN(CC)[C@H]1CCCC[C@H]1C	678350372	VGECNBDOESWQTB-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C=CC[C@@H](C)NC(=O)CCCCCC	735066681	VMMUBKFGYKCHPV-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
C=CCNN=C(C)C[C@@H](C)CC(C)C	794998590	NSRNCJLZMKHFSX-NSHDSACASA-N	196.338	3.210	30	20	AGED	
C=C[C@H](C)ON=C1CCC(C)CC1	844624369	WWJFPISZYYEIFL-AXDSSHIGSA-N	181.279	3.144	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@H](C)C1	844624649	YPFCAFUDUOJLRU-VHSXEESVSA-N	181.279	3.144	30	20	AGED	
C=C/C=C/CCOC(=O)CCC(=C)C	1519991145	YVYIGAWTRFCLJZ-AATRIKPKSA-N	194.274	3.018	30	20	AGED	
Cc1cccc(CC(C)(C)C#N)c1	83775620	SQHJQGVPEKAFQI-UHFFFAOYSA-N	173.259	3.087	30	20	AGED	
N#Cc1ccc(O[C@@H]2C=CCCC2)cc1	169083914	YHYYVQYAZCSALF-GFCCVEGCSA-N	199.253	3.046	30	20	AGED	
S[C@@H]1CCCCC12CCCC2	306436202	CNWCLUQDKSAKAE-SECBINFHSA-N	170.321	3.419	30	20	AGED	
CC#CCCSC[C@H](C)CC	307888960	XILJAZCPZCQCNA-SNVBAGLBSA-N	170.321	3.179	30	20	AGED	
CCON=C(CC(C)(C)C)C1CC1	308301690	KYLHZCPPJWUXAC-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
CCON=C1C[C@H](C)CC[C@H]1CC	388298571	MQAOMSVJDZCTPZ-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
C=CCCc1noc(/C=C/CCC)n1	664898469	VAUWJTDXCWWLRK-VQHVLOKHSA-N	192.262	3.002	30	20	AGED	
C=C(Cl)CNC1CC2(CCCC2)C1	925438618	ZAZYSEMMCQNBHS-UHFFFAOYSA-N	199.725	3.051	30	20	AGED	
C[C@]1(c2ccc3ccccc3c2)CO1	55032423	KCMRKWFUMCAKES-CYBMUJFWSA-N	184.238	3.085	30	20	AGED	
C[C@@H](S)CCCC(F)(F)F	166729117	WFJNWZQCDDAYFR-RXMQYKEDSA-N	172.215	3.037	30	20	AGED	
CC(C)(C=O)C1CCCCCC1	306165998	AZFKSPVHGOVVII-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
C=C(C)CSC/C(C)=C/Cl	306966327	LGUPFWLJGXLJHZ-XBXARRHUSA-N	176.712	3.438	30	20	AGED	
C=C(C)CCN[C@@H](CC)C1CCC1	322293398	RRMSJIVBPUHHOA-LBPRGKRZSA-N	181.323	3.121	30	20	AGED	
C=CCCCN[C@H](C)C(C)(C)CC	651339657	RASNYKPVVOSAIT-LLVKDONJSA-N	183.339	3.367	30	20	AGED	
C=CCCCCCN1C[C@H](C)C[C@H]1C	683782225	QWRUWSCQXMGIRW-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
CCCCCCCNC(=O)C=C(C)C	703711201	AKXVNFKEFVHSLM-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C#CCON=C(C)C[C@H](C)CC(C)C	812234801	WRQHHWZZOJECBL-LLVKDONJSA-N	195.306	3.084	30	20	AGED	
CCC(CC)CNN=C1CC[C@@H](C)C1	814906050	DKFOFXLPFHDERN-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C=CCCCCCOC(=O)CCC	308465129	IXJFXIZLFCTXFK-UHFFFAOYSA-N	184.279	3.076	30	20	AGED	
CCCC(C)(C)NC[C@H](C)CCC#N	602538562	FYSXQACWVHFRGB-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C[C@H]1CCC(=NOCC2CC2)C[C@H]1C	814244308	MVTDDBMTSMQNJA-VHSXEESVSA-N	195.306	3.225	30	20	AGED	
CC(C)ON=C[C@H]1CCCC[C@@H]1C	835003740	ZTKOOMKIZSHSCP-WDEREUQCSA-N	183.295	3.224	30	20	AGED	
C#CCCCNc1c(C)cccc1C	161052823	QBVSDEYNMGZHEH-UHFFFAOYSA-N	187.286	3.129	30	20	AGED	
C=CCCCC[C@@H](C)NCCC=C	658114156	LYIBSCKGCZKWPU-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
CCCON=C1CCC[C@H](C)[C@@H]1C	842555671	ZPAJETMYWUSZDO-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
C=C(C)CCN(CC)C(C)(C)C	1324438804	UKVNZQJNNXLRED-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=CC[C@H](C)N[C@H](C)CC1CCC1	161644423	OUFJIJQGFADBEJ-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C	169134406	JOGZZBKXKDQBHL-ZDEQEGDKSA-N	195.350	3.365	30	20	AGED	
CC[C@](C)(C=O)C1CCC(C)CC1	306466460	KTSPWUDXCHVSGM-HTAVTVPLSA-N	182.307	3.428	30	20	AGED	
C=CCNc1c(C)cccc1SC	306700255	YIKSTPXPZBMFKA-UHFFFAOYSA-N	193.315	3.315	30	20	AGED	
CC[C@](C)(C=O)[C@H]1CCC[C@@H](C)C1	307152597	YQRCXJOSYWSYFF-GRYCIOLGSA-N	182.307	3.428	30	20	AGED	
C=C(CC)CN[C@@H](C)CC1CCC1	313499144	OQZHQYBOLGWAKI-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCC[C@H](NCC(=C)Cl)C1CC1	379359711	ZODKONIMHZPBEX-NSHDSACASA-N	199.725	3.073	30	20	AGED	
C=CCCCN[C@H]1CCCC12CCC2	394783069	IHRQEIVOCNFGPP-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
FC(F)(F)[C@@H]1CCC[C@H](S)C1	82862816	FLJZHYMWWZUNND-RITPCOANSA-N	184.226	3.037	30	20	AGED	
C=CCN1CCC[C@@](C)(CCC)C1	308230871	ORYPKSYBLUGDEB-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
C=CCC[C@@H](NCCC(C)C)C1CC1	308510996	KXJGVILGPBNXNJ-CYBMUJFWSA-N	195.350	3.367	30	20	AGED	
C#CCCCNc1ccc(C2CC2)cc1	308838099	MBSLMUBPONQPHA-UHFFFAOYSA-N	199.297	3.389	30	20	AGED	
C=CCCSCc1csc(C)n1	379329723	WAAQNWJDKLQQII-UHFFFAOYSA-N	199.344	3.261	30	20	AGED	
C=C[C@H](C)NC[C@@H]1C(C)=CCC[C@@H]1C	389264736	HYESSMUPCMDGEQ-RWMBFGLXSA-N	193.334	3.143	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NC[C@@H]1C[C@H]1CC	648731995	IMRHPKYJLSFZTF-XQHKEYJVSA-N	195.350	3.223	30	20	AGED	
C=CC[C@@H]1CC[C@H](N[C@H]2CC2(C)C)C1	651685254	OQGAQSZTMCRRQO-WOPDTQHZSA-N	193.334	3.119	30	20	AGED	
C=CCCN(C)C[C@@H]1CCCC[C@@H]1C	682436661	RZASMZYUEBRHPB-STQMWFEESA-N	195.350	3.321	30	20	AGED	
C=CCCCCCN1CC[C@H](C)[C@@H]1C	683782101	JXHUDBZBJLJLHY-STQMWFEESA-N	195.350	3.463	30	20	AGED	
CC(C)[C@H](C)[C@@]1(C=O)CCC[C@H]1C	306377250	NVPMYPXYIWIBFH-GRYCIOLGSA-N	182.307	3.284	30	20	AGED	
CC#CCCS[C@H](C)C(C)C	307645322	YCRIKNLTAZUTPC-SNVBAGLBSA-N	170.321	3.178	30	20	AGED	
C#C[C@@H](CC)N[C@@H](C)CCC=C(C)C	379600938	LHJMPSMRYRLKPQ-STQMWFEESA-N	193.334	3.123	30	20	AGED	
C#CCCCN[C@H](CC)[C@@H](C)CCC	379661631	QIKGTUDMADAEER-QWHCGFSZSA-N	195.350	3.204	30	20	AGED	
CCON=C1C[C@@H](C)CC[C@@H]1CC	388298572	MQAOMSVJDZCTPZ-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
C#C[C@H](N[C@H](C)[C@H](C)CC)C(C)(C)C	389346086	LTURTPWYVFDEGB-UTUOFQBUSA-N	195.350	3.059	30	20	AGED	
C=C(CC)CN1CCC(C2CC2)CC1	644718892	JIGWPDIBCZQKDP-UHFFFAOYSA-N	193.334	3.075	30	20	AGED	
C=CCN1CCCC[C@@H]1CCC(C)C	675509187	MKTNDIOGOUHOQR-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
CCCCCCCSC[C@@H](C)O	840211218	MCACGMQZZSBJHM-SNVBAGLBSA-N	190.352	3.071	30	20	AGED	
C=CCCCOc1ccc(C)c(F)c1	226439336	JAMHWBMOGHJRTA-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
CC(C)C[C@]1(C=O)CCC[C@@H](C)C1	306354243	QQXPKBWRZWXHHH-VXGBXAGGSA-N	182.307	3.428	30	20	AGED	
CCC#C[C@@H](C)SCc1ccco1	307284631	JQPRHMQJANRXMF-SNVBAGLBSA-N	194.299	3.315	30	20	AGED	
CC(C)[C@H](C)S[C@@H]1CC[C@H](C#N)C1	590726932	OIBLVUIDLJFQQL-GARJFASQSA-N	197.347	3.456	30	20	AGED	
C=CCCCCS[C@@H](C)C(C)=O	590728827	YBLMHTBXRMLTHM-JTQLQIEISA-N	186.320	3.053	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C1CCC1)C1CC1	651263646	UNFTZWXGRSYKGH-MFKMUULPSA-N	193.334	3.119	30	20	AGED	
C=C(C)COC(=O)C1CCCCCC1	726215765	SSHQNZWUGHYITO-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCCN1CC[C@H]2CCCC[C@H]2C1	1329142247	QXYXUEJKJHIYPM-OLZOCXBDSA-N	193.334	3.075	30	20	AGED	
CCCC(CCC)N[C@H](CC)CC#N	54182118	FDKOTQLAFXKJEV-LLVKDONJSA-N	196.338	3.237	30	20	AGED	
CC(C)(C=O)CC1(C)CCCC1	306353904	GNODFMFDCPUQEN-UHFFFAOYSA-N	168.280	3.182	30	20	AGED	
C=C(C)CN(CC)CCC1CCCC1	607725153	LJQHMKCGIOLCQT-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CCC(=NOCC1CCC1)[C@@H]1C[C@@H]1C	853440973	PTORFSPLSDKXQX-GXSJLCMTSA-N	195.306	3.225	30	20	AGED	
C=C(C)CN[C@@H]1CCC[C@@H](C(C)C)C1	230998739	NEAYADNCJQVRME-CHWSQXEVSA-N	195.350	3.367	30	20	AGED	
CC1CCC(=NOC2CCC2)CC1	306491016	VNPHJVKKCRRLFS-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=C(Cl)CSC/C=C/C	307699459	OOXOVWKULMXERZ-ONEGZZNKSA-N	162.685	3.048	30	20	AGED	
C=CCCCCN1CC[C@@H]2CCC[C@@H]21	649457289	MYCIOHFQSDBHAH-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=CCN(CC1CCC1)C(C)(C)C	661756643	USPWPGQUNXFCOT-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
CCON=C(CC)c1cccc(C)c1	794886731	NLYRDVUGLVYKLP-UHFFFAOYSA-N	191.274	3.146	30	20	AGED	
C=C[C@H](C)N[C@H](CC)C[C@H](C)CC	157267108	GUGFQJSIBUONPQ-GRYCIOLGSA-N	183.339	3.365	30	20	AGED	
C=CCN1c2ccccc2CC[C@H]1C	225844083	VTPWIRWSNKAYKU-LLVKDONJSA-N	187.286	3.014	30	20	AGED	
C=C(C)CSc1ncccc1Cl	306259906	UIYASOGMYYQNEH-UHFFFAOYSA-N	199.706	3.403	30	20	AGED	
C=CCCCCNC1CC(C)(C)C1	308293158	IOGQWKYVWGPPRX-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
CCCCC(CC)=NN[C@H](C)CC	379410641	GMEGXLGEENKOPA-SNVBAGLBSA-N	184.327	3.331	30	20	AGED	
C=CCCCCOc1cccnc1C	642226578	WKNVSGCTYGFHAG-UHFFFAOYSA-N	191.274	3.125	30	20	AGED	
C=C(CC)Cn1ccc(C(C)(C)C)n1	664044899	RIFWNOFMYOOKTN-UHFFFAOYSA-N	192.306	3.147	30	20	AGED	
CC(C)CNN=C1CCCCC[C@@H]1C	844588168	OJOPBTFKUXWGSR-NSHDSACASA-N	196.338	3.188	30	20	AGED	
C#CCCCCCC=NOCC(=C)C	844619920	NBKAJWQVEDMUOL-UHFFFAOYSA-N	193.290	3.149	30	20	AGED	
C=C(C)COC(=O)C1(C)CCCCC1	781266268	LHLLAJWSXUPQQG-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C=CCOc1ccc(F)cc1Cl	32301997	RYBBXNGTZAGPFB-UHFFFAOYSA-N	186.613	3.044	30	20	AGED	
C=CC[C@@H](C)N[C@@H](C)C1CCCC1	161655410	UZVSIKSFINKLMG-MNOVXSKESA-N	181.323	3.119	30	20	AGED	
CCC[C@]1(C=O)CCC[C@@H](C)C1	306449619	AWAQTPKXGDZBNO-MNOVXSKESA-N	168.280	3.182	30	20	AGED	
C[C@H](S)c1c(F)cccc1Cl	307689533	NKXQOWUEJDCWTF-YFKPBYRVSA-N	190.670	3.470	30	20	AGED	
C=CCN[C@@H]1CCC[C@H]1CCCC	308229169	NZRCXLULFAQVRP-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=C(C)CNC[C@@H]1C(C)=CCC[C@@H]1C	308653937	MSTHWFFYFHQMLE-QWHCGFSZSA-N	193.334	3.145	30	20	AGED	
C#CCCCN[C@@H](C)[C@@H](C)CCCC	389302156	MJRYBRKNTLMCOB-STQMWFEESA-N	195.350	3.204	30	20	AGED	
C=CCCCC[C@@H](C)N[C@@H](C)C=C	648474779	COKCEWVYNNVKKD-NWDGAFQWSA-N	181.323	3.285	30	20	AGED	
C[C@@H]1CCC(=NOCC2CC2)[C@H](C)C1	814243707	KKOBVBGLMSEIIP-NXEZZACHSA-N	195.306	3.225	30	20	AGED	
CC[C@H](C)CON=C1C[C@H]2CC[C@H]1C2	814939750	ZASQJUGKWKIMPS-DCAQKATOSA-N	195.306	3.225	30	20	AGED	
CC1=CCC[C@@H](C)[C@H]1C=NOC(C)C	835002106	JNTCAFMBAURZJN-NEPJUHHUSA-N	195.306	3.390	30	20	AGED	
CCCON=C(C)c1cc(C)c(C)o1	842551238	PQEOQJGUDJUMAA-UHFFFAOYSA-N	195.262	3.047	30	20	AGED	
C=C(C)CON=C1CCCC12CCC2	844619937	NOEUWYULQMBJMO-UHFFFAOYSA-N	193.290	3.289	30	20	AGED	
C=C[C@@H](C)ON=C(C)c1cccs1	844623999	RODKCZAGIXJBHD-MRVPVSSYSA-N	195.287	3.063	30	20	AGED	
C=CCCNc1ccccc1SC	226150422	UHGXYTMMALMNAT-UHFFFAOYSA-N	193.315	3.397	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCCCC[C@@H]1C	229594610	GVCJITQDNZBDPO-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=C[C@H](C)N[C@H](CCC(C)C)C1CC1	308568442	ZRYCBGJZKIMBMD-WCQYABFASA-N	195.350	3.365	30	20	AGED	
CC[C@@H]1CCCC1=NOCC(C)C	379386650	YNGIERSZTHRENQ-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=CCC[C@@H](NCCCC)C1CC1	381923951	MTLVFLLWIWFNJF-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
CC(C)(C)CC=NOC(C)(C)C	388434474	PEXLFJQDIWJZRM-UHFFFAOYSA-N	171.284	3.224	30	20	AGED	
C=CCCc1nc(C(CC)CC)no1	680744864	MDBPUXYPRFZOKY-UHFFFAOYSA-N	194.278	3.092	30	20	AGED	
Cc1ccc(NN=C[C@H]2C[C@H]2C)cc1	758360607	XWCQOSQZIRPAKB-GHMZBOCLSA-N	188.274	3.049	30	20	AGED	
C=CCOc1ccc(Cl)cc1C	32301993	AAQOQZIXBMOVRT-UHFFFAOYSA-N	182.650	3.213	30	20	AGED	
CCCCCCCSCC(C)=O	197696615	WZGYADZDYAUHCB-UHFFFAOYSA-N	188.336	3.279	30	20	AGED	
C=C(CC)CN1CCC(C)(C)CC1	307506763	MCUHORZDCXSSED-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CCCCCCCN[C@H]1CC[C@H]1C	308163626	YFRXROBDSBCNIY-NEPJUHHUSA-N	183.339	3.345	30	20	AGED	
C=C(C)CCC(=O)Nc1ccsc1	1120604367	NMPPZHPERDTGLK-UHFFFAOYSA-N	195.287	3.043	30	20	AGED	
C=CC[C@H](C)NCc1sccc1C	124244740	GYNIHGUYRWGSPW-JTQLQIEISA-N	195.331	3.111	30	20	AGED	
C=C(C)CCN[C@H](C)c1ccsc1	168985177	XGJSXVYPEFACKL-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
CC[C@@H](C)C1(C=O)CCC(C)CC1	306252818	RZTVLGDIFIIQNZ-MOENNCHZSA-N	182.307	3.428	30	20	AGED	
C[C@@H](CCS)c1ccccc1	86895274	BKNWKZNCOLAPCW-VIFPVBQESA-N	166.289	3.110	30	20	AGED	
C=CCN(CC(CC)CC)C1CC1	308465622	IXZFDGSLVCQNMO-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
CN(CCCC(C)(C)C#N)C(C)(C)C	381954920	DMKMQGIFBYJTSB-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C=CCCCSCC1(CC#N)CC1	596344016	ZOUKVZPIGJEWDR-UHFFFAOYSA-N	195.331	3.380	30	20	AGED	
C=C(C)CON=C[C@H]1CCC[C@@H](C)C1	844618250	NCKCPEMYLCHJLO-NEPJUHHUSA-N	195.306	3.391	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CCC[C@H](F)C1	1332341530	WVOVCPNHEJICOF-SRVKXCTJSA-N	199.313	3.211	30	20	AGED	
CC[C@@H](C)C=NOC1CCCCC1	308312210	SBVDPIJYLCWHLL-SNVBAGLBSA-N	183.295	3.368	30	20	AGED	
C=CC[C@@H](CC)NCc1occc1C	389277018	PLSWGJULAPFFDU-LLVKDONJSA-N	193.290	3.032	30	20	AGED	
C=C(C)CCN1CCCC[C@H]1C(C)C	681404442	SJGWSUWYFNKZJL-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
CCC(CC)(CC)NCCCCC#N	84901673	IFAFGDFIJBLJGE-UHFFFAOYSA-N	196.338	3.239	30	20	AGED	
C=CCC[C@H](C)NC[C@@H]1CCC[C@@H]1C	230651345	ABNBOQAFVRHCSI-AVGNSLFASA-N	195.350	3.367	30	20	AGED	
C#CCCCNCC(CC)(CC)CC	308504181	HZSKAGPFFKYYHD-UHFFFAOYSA-N	195.350	3.206	30	20	AGED	
C=CCCCN[C@H]1CCC[C@H]1CC	379373162	WQNJDTJSOGZIHH-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](C)[C@H](C)N[C@H](CC)C1CC1	658236201	USGOINSJHLMTMJ-GMXVVIOVSA-N	195.350	3.365	30	20	AGED	
CC(C)(C#N)c1cc(Cl)ccc1F	75934341	SAFZUZYYKYVWTP-UHFFFAOYSA-N	197.640	3.280	30	20	AGED	
C=CCC[C@@H](C)N[C@H]1CC=CCC1	126877396	MRGPGKOPYGWNSA-NEPJUHHUSA-N	179.307	3.039	30	20	AGED	
C=CCCCSc1cccc(O)c1	126975359	SBFIJDQFPWOWKD-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C=CC[C@H](C)N[C@H](C)CCC1CC1	308258900	MKWPUKAQGGRJEM-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
C[C@@H]1CCC(=NOC2CCCC2)C1	378874426	WOOCJPSNRWYOGI-SECBINFHSA-N	181.279	3.122	30	20	AGED	
C=C(Cl)CN[C@H](C)CC(C)(C)C	384560151	HPNNNYKTZQJYSC-SECBINFHSA-N	189.730	3.153	30	20	AGED	
C=CCC[C@H](N[C@H](C)CC)C1CC1	651176784	BSWGQFQTQCTCHM-PWSUYJOCSA-N	181.323	3.119	30	20	AGED	
CC(CCC(C)C)=NNC1CCCC1	727652402	HNBKATGDVRZRAU-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
C[C@H]1CCCCN1N=C1CCCCC1	853380731	YIPNZRIMHOMYOW-NSHDSACASA-N	194.322	3.181	30	20	AGED	
C=C/C=C/CCSCCOCC=C	902396401	KSTZLYYABNKKOE-AATRIKPKSA-N	198.331	3.055	30	20	AGED	
C#C[C@H](N[C@@H](C)CCCC)C(C)(C)C	389365114	UPNPARXCXRCODJ-RYUDHWBXSA-N	195.350	3.203	30	20	AGED	
CC1=CC(=NNC2CCCC2)CCC1	727652206	WNEZOXNRFDXXNE-UHFFFAOYSA-N	192.306	3.005	30	20	AGED	
C=CCCCCOC(=O)CCC1CC1	811010995	KNVQSYNVWVNKGT-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CC(C)CNN=C1C[C@H](C)CC[C@H]1C	834968024	DNIWFYXPHPMIJS-GHMZBOCLSA-N	196.338	3.044	30	20	AGED	
C=CCCCN(C)c1ccccc1	148960777	QAKSPKBYYMDHNR-UHFFFAOYSA-N	175.275	3.089	30	20	AGED	
CCCNN=C(CC)C[C@@H](C)CC	308446023	BDLVBOFVRLSJJN-JTQLQIEISA-N	184.327	3.188	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@@H]1CC	379373163	WQNJDTJSOGZIHH-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CCC[C@H](CCC)NC1(C)CC1	379412420	KDMSTWSQWKAYSP-NSHDSACASA-N	181.323	3.263	30	20	AGED	
SC[C@H]1CCCc2ccccc21	82583062	XRXGVNDPXVBEND-SNVBAGLBSA-N	178.300	3.036	30	20	AGED	
C=CCCCOc1ccc(F)c(C)c1	158876867	UULQHLSUPUMVOD-UHFFFAOYSA-N	194.249	3.479	30	20	AGED	
C[C@@H]1CC[C@@](C=O)(C[Si](C)(C)C)C1	306411891	PJPFTIUGAPPULS-GHMZBOCLSA-N	198.382	3.330	30	20	AGED	
C=CCCCCN[C@H]1CCC[C@@H]1C	308126202	BBEQJVJFUSRNFO-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
CCC(=NOC[C@@H](C)CC)C(C)C	308309143	QBUALOJSQPVYKK-JTQLQIEISA-N	185.311	3.471	30	20	AGED	
C=CCCN1CCC[C@@H](CCC)C1	308375831	SCBMLRRSYCYGKP-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CC[C@@H](SCC#N)c1ccccc1	308412300	LZNOEOKNBJIGJW-LLVKDONJSA-N	191.299	3.394	30	20	AGED	
C=C[C@@H](C)N[C@H](CCC(C)C)C1CC1	308568441	ZRYCBGJZKIMBMD-DGCLKSJQSA-N	195.350	3.365	30	20	AGED	
C=C(C)CSCc1ncccc1C	393719409	MDDADDPHPZUKSZ-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=C(CC)CN(C1CCCC1)C1CC1	678624929	UKQORDMHUJODTH-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
C=CCCCN(C)[C@H]1CCC(C)(C)C1	680369784	UJMIWBLMPRATLX-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
CC(C)ON=C1CC(C)(C)C[C@@H]1C	835003058	QPJMFIQBZPXPGQ-VIFPVBQESA-N	183.295	3.224	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)C1CCCC1	161655298	UZVSIKSFINKLMG-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
CC[C@H]1CCC[C@H](C2(C=O)CC2)C1	306215938	JROSBVWGFBTEKT-QWRGUYRKSA-N	180.291	3.182	30	20	AGED	
C=C(CC)CN1CCC[C@H](C)[C@H]1C	306554981	KOZMDGZXJACEMZ-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CC(C)(C)CSCCCC#N	307866561	JQULEHNLUGVREP-UHFFFAOYSA-N	171.309	3.069	30	20	AGED	
CC(C)[C@H](C)S[C@H](C#N)C1CC1	601079181	XGSARTUXJDBIHB-WCBMZHEXSA-N	183.320	3.066	30	20	AGED	
CCCCN(CCC#N)CC(C)(C)C	609487377	IGCLFVCXYKJXJM-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CCC[C@@H](N[C@@H](C)CC)C1CC1	651176782	BSWGQFQTQCTCHM-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](C)N[C@H](C1CCC1)C1CC1	651263645	UNFTZWXGRSYKGH-GXFFZTMASA-N	193.334	3.119	30	20	AGED	
C=CCCN[C@@H]1CCC[C@@H]1CCCF	658114180	MWBNARGRZYDEQZ-VXGBXAGGSA-N	199.313	3.071	30	20	AGED	
CC#CCCN(CC)CC(CC)CC	680882616	KQSAZGREUQXTDW-UHFFFAOYSA-N	195.350	3.158	30	20	AGED	
CCCCCCCN1CC[C@@H](F)C1	830467515	OLEMDVWDKVBICF-LLVKDONJSA-N	187.302	3.001	30	20	AGED	
CC(C)ON=C1CCC2(CC1)CC2	835003650	WMWYSBPQXCBWLK-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=C(Cl)CSCc1ccncc1	1644270321	RECMOFNGQOSSCU-UHFFFAOYSA-N	199.706	3.067	30	20	AGED	
CC#CCNc1cc(Cl)ccc1C	51662779	VYFYJCZNBIIHMX-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1cc(C)oc1C	164568374	BEJWJPLUZDQOLQ-PSASIEDQSA-N	193.290	3.122	30	20	AGED	
C=CCCSCc1c(C)noc1C	308375603	NHNYLOZSPVAQBA-UHFFFAOYSA-N	197.303	3.101	30	20	AGED	
CCC(CC)=NN[C@@H](C)C(C)(C)C	379415248	PMKGEWLRJZYCLG-VIFPVBQESA-N	184.327	3.187	30	20	AGED	
C=CCCC(CC)=NO[C@H](C)C=C	844625205	PUCGQOGGUJGAHS-SNVBAGLBSA-N	181.279	3.310	30	20	AGED	
C=CCN[C@H](C)c1cccc(Cl)c1	19875984	RULAMFDWNMGFDO-SECBINFHSA-N	195.693	3.177	30	20	AGED	
C=C(C)c1ccc(C(F)(F)F)nc1	91692191	KOMGWIHZVCNYIW-UHFFFAOYSA-N	187.164	3.134	30	20	AGED	
C=CCC[C@H](C)N[C@@H](C)CC(C)C	126883958	VVCVCXIEOAMEJA-RYUDHWBXSA-N	183.339	3.365	30	20	AGED	
C=CC[C@H](C)NC1C[C@H](C)C[C@@H](C)C1	158997139	YGEONFZFWDFULU-UTUOFQBUSA-N	195.350	3.365	30	20	AGED	
CC[C@@H](C)CSCC1(CC#N)CC1	233824347	UIAPQWUPWCNUNG-SNVBAGLBSA-N	197.347	3.460	30	20	AGED	
CC(C)CCC=NOC/C=C/Cl	378863762	WEOYJVYANQTNKZ-ATPWIYTASA-N	189.686	3.178	30	20	AGED	
C=CCC[C@H](C)NCCC1(C)CC1	388892486	LOZXBOXRJJSGGN-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC/C=C\CC	648716718	MJCSNANIACBOST-FUMJMOHISA-N	181.323	3.143	30	20	AGED	
C=CCCN[C@@H]1CCCC[C@@H]1C(C)C	126078008	UFVGEWNFIBQKQD-CHWSQXEVSA-N	195.350	3.367	30	20	AGED	
CCN(CCCC(C)(C)C)[C@@H](C)C#N	595820167	KJMKLKPYOFRXFA-NSHDSACASA-N	196.338	3.047	30	20	AGED	
C=CC1CCN(CC(CC)CC)CC1	678259906	LIQNIXCZOSXFSG-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=CCCOC(=O)C(CC)(CC)CC	761076420	WFXVGYDKWFSNAP-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
CCCCNN=C1CCCCC[C@H]1C	844574924	AWVLNJNAVJTLNS-LLVKDONJSA-N	196.338	3.332	30	20	AGED	
C=C(CC)CN[C@H]1CCCC[C@H]1C	85057143	AQNBHJDSGTZOKG-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
CC(C)(CC#N)c1ccccc1F	261507688	LECOAYSWAKHXBZ-UHFFFAOYSA-N	177.222	3.017	30	20	AGED	
C=CCCC[C@H](C)Nc1nccs1	398156589	IZQSCXIRCCAVSY-VIFPVBQESA-N	196.319	3.300	30	20	AGED	
CC(C)ON=C1[C@@H]2CCC[C@@H]2C1(C)C	853354044	TWXYHVXBOYQHOA-ZJUUUORDSA-N	195.306	3.224	30	20	AGED	
C=CCC[C@@H](C)NCc1cccs1	96034277	GSZUCCFBPQAGCK-SNVBAGLBSA-N	195.331	3.192	30	20	AGED	
C=C(C)CCNc1c(F)cccc1F	168953866	PAZWXKGUYFNFTQ-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=C(C)CC1(C=O)CCCCCC1	307374983	YOGBUZCXZFICMT-UHFFFAOYSA-N	180.291	3.492	30	20	AGED	
CCC(=NOCCC1CC1)[C@@H]1C[C@H]1C	841640443	JYKTVQQOWQNNGN-MWLCHTKSSA-N	195.306	3.225	30	20	AGED	
CCC(CC)=NOC[C@@H](C)CC	307964698	ZZCMEFKMIMNEGF-VIFPVBQESA-N	171.284	3.225	30	20	AGED	
C=CCCN(C)[C@H]1CCCC[C@@H]1C	308334570	NALBXKQLOOALDV-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCCCSCCCCOC	393338603	QCZUUUNUNVMIQU-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
CCCCNN=C1CCCCCCC1	915970044	VIHPZBZTZVIMIB-UHFFFAOYSA-N	196.338	3.476	30	20	AGED	
CCS[C@@H](C)c1cccc(C#N)c1	307666235	MQMDTBYGRVYLEZ-VIFPVBQESA-N	191.299	3.372	30	20	AGED	
C=CCN[C@H](CCCC)C1CCC1	308460924	HMFIMYRELPIWEK-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
C=CC[C@@H](C)N[C@H]1CCC12CCCC2	308563264	GMOZBAASUYDOOC-NEPJUHHUSA-N	193.334	3.263	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)[C@H](C)CC	388640523	OKCQFQRZZKFJGK-UTUOFQBUSA-N	183.339	3.365	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCCC1CCC1	389274702	NUYYHLIPJYSCNK-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C[C@H](CC(C)(C)C)NCCCCC#N	395017602	OKAZXAMMHDKMKJ-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
CC1(C)CCCC(=NOCC2CC2)C1	814241784	OFXCTBFAAQKXQF-UHFFFAOYSA-N	195.306	3.369	30	20	AGED	
C=C(C)CNc1ccc(Cl)c(F)c1	48442975	HJSJSLFLTNIZMD-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
S[C@H]1CCCC12CCCCC2	306232197	LLSXKTOSMNRJSH-VIFPVBQESA-N	170.321	3.419	30	20	AGED	
C=C(Cl)CN1CCCC[C@H]1CC	306425404	JJDKWRPWMQTVDJ-SNVBAGLBSA-N	187.714	3.003	30	20	AGED	
C=CCSCCCOC(C)(C)C	307965462	QLWAICQEEJWNPQ-UHFFFAOYSA-N	188.336	3.111	30	20	AGED	
C#C[C@@H](N[C@H](C)CC(C)C)C(C)(C)C	308518270	NSBIKPHYLUDLAB-VXGBXAGGSA-N	195.350	3.059	30	20	AGED	
C=CC1CCN(C/C=C(/C)Cl)CC1	528382955	VBQSOBLUSIYUTM-WMZJFQQLSA-N	199.725	3.027	30	20	AGED	
Cc1cccc(NN=C[C@H]2C[C@@H]2C)c1	758360701	YZZDUGACZNQQSD-WDEREUQCSA-N	188.274	3.049	30	20	AGED	
C=C(C)CON=C[C@@H]1CC[C@@H](C)C1	844619806	MABOYBIWOBESKX-GHMZBOCLSA-N	181.279	3.001	30	20	AGED	
C=CCCCn1cnc(C(C)(C)C)c1	865375700	LDGMUQYGSLMSJJ-UHFFFAOYSA-N	192.306	3.147	30	20	AGED	
N#CCCCSCc1ccsc1	901839870	NQHORCGPWYSTAX-UHFFFAOYSA-N	197.328	3.285	30	20	AGED	
C#Cc1cccc(N[C@H]2CCC[C@@H]2C)c1	83389508	LOVVFIVRLBAAPP-FZMZJTMJSA-N	199.297	3.268	30	20	AGED	
C=CC[C@@H](C)NCc1ccc(C)cc1	124249251	SGPQLXZLIGJNRH-GFCCVEGCSA-N	189.302	3.049	30	20	AGED	
Cc1cccc(NN=C2CCCC2)c1	201483678	TXTFIRLQZZOKKV-UHFFFAOYSA-N	188.274	3.337	30	20	AGED	
C[C@H]1CCCC[C@]1(C=O)CC(F)F	306262069	XXYRZZVKEXOIKK-WCBMZHEXSA-N	190.233	3.037	30	20	AGED	
C=CCCCNc1ccnc(CC)c1	307766438	DOULJUDDKQJGHI-UHFFFAOYSA-N	190.290	3.022	30	20	AGED	
C=CCN1CCC[C@@H]1[C@@H](C)CCC	308222800	LWYAJSWVCUOILT-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=CCCCCN[C@@H]1C[C@H]2CC[C@H]1C2	308487565	OYAJOJLWMODTIZ-RWMBFGLXSA-N	193.334	3.121	30	20	AGED	
C=C(C)CCN[C@H](C1CCC1)C1CC1	324968741	MYQNPPWGELAFCI-CYBMUJFWSA-N	193.334	3.121	30	20	AGED	
C#CCCCCN[C@H](C)CC(C)(C)C	384853181	GCFVSSROXPLUMO-GFCCVEGCSA-N	195.350	3.204	30	20	AGED	
C#C[C@H](N[C@H](C)[C@@H](C)CC)C(C)(C)C	389346074	LTURTPWYVFDEGB-TUAOUCFPSA-N	195.350	3.059	30	20	AGED	
C=C(C)CN(C)c1cc(C)cc(C)c1	615457378	OVHBZBMBKITJMM-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
C=CCCN1CCCC[C@H]1CC(C)C	675127427	OBYHXKGJDLXTIJ-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
C=C(C)CCN(CC1CCC1)C(C)C	683527895	PYITZTCWCSYEDO-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=CC[C@H]1N(CCF)CCCC1(C)C	769954578	VETIYXJIMDYTJQ-LLVKDONJSA-N	199.313	3.023	30	20	AGED	
C=CCON=C[C@@H]1C(C)=CCC[C@@H]1C	835013771	XCXKNXGIWGUVTO-NWDGAFQWSA-N	193.290	3.167	30	20	AGED	
C=CCON=C[C@H](C)C1CCCCC1	835015587	RRVOKMKUZXFOJY-NSHDSACASA-N	195.306	3.391	30	20	AGED	
C/C=C(/C)C(=O)NCCCCCCC	862358659	PWUGVHZPLSUWEI-WZUFQYTHSA-N	197.322	3.039	30	20	AGED	
CCCCNN=C(C)C1CCCCC1	915969599	NQPBSRIEHLHEQO-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
C=C(C)CN[C@H]1CCCC[C@H]1CC	51753469	AVUCIUVVQVYMLE-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CN[C@H]1CC=C(C)CC1	648840294	TYGWFPXXZPEONH-LBPRGKRZSA-N	179.307	3.041	30	20	AGED	
C=CCOc1cccc2c1CCCC2	32301994	ZOAGENYWYNGSIK-UHFFFAOYSA-N	188.270	3.130	30	20	AGED	
C=CC[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C	169134488	JOGZZBKXKDQBHL-FVCCEPFGSA-N	195.350	3.365	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1	230998135	XRBDMLLWSNVMEC-XQQFMLRXSA-N	195.350	3.365	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CCCC[C@@H]1C	307558288	DDWYVCMLUMSVGK-SRVKXCTJSA-N	182.307	3.428	30	20	AGED	
CC#CCCSCCCCCF	307970222	WSRVJDNSUHCIKS-UHFFFAOYSA-N	188.311	3.273	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC/C=C\C1CC1	382331661	WQTDUKVHEPEPGW-RAUBUVQISA-N	193.334	3.143	30	20	AGED	
C=C(C)CON=CC(C(C)C)C(C)C	844620569	YCBOMKQVMAQVJG-UHFFFAOYSA-N	197.322	3.493	30	20	AGED	
C=CCCCSc1ccc(O)cc1	70595307	CBDMOVVFMGDCIC-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C#CCCSc1cccc(Cl)c1	82496889	XFRJSZBPYKZSLM-UHFFFAOYSA-N	196.702	3.455	30	20	AGED	
C=C(CC)CN1[C@@H](C)CCC[C@H]1C	306670380	LRXBMRRPEOJDJS-TXEJJXNPSA-N	181.323	3.216	30	20	AGED	
C=CCC[C@@H](NCCC1CC1)C1CC1	308644517	GWACIMXNIGVQIK-CYBMUJFWSA-N	193.334	3.121	30	20	AGED	
Cc1occc1S[C@H](C)CCC#N	591128836	JPYDICTXLOFOKU-MRVPVSSYSA-N	195.287	3.372	30	20	AGED	
C=C(CC)CN(CCC)C(C)C	653798882	SRABVFUDPUBBND-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
CCCCCC(C)=NNC1CCCC1	727651528	DBGYRJXBSLMICI-UHFFFAOYSA-N	196.338	3.475	30	20	AGED	
CC(CC(C)(C)C)=NOCC(C)C	1117783183	VXSDEPMDVSENGT-UHFFFAOYSA-N	185.311	3.471	30	20	AGED	
C=CCOc1ccc2ccccc2c1	2168718	JHEKBCPEJKZQIY-UHFFFAOYSA-N	184.238	3.405	30	20	AGED	
C=CCCN[C@@H](CC)C[C@@H](C)CC	168504584	MSCQYTYPHBIBKR-RYUDHWBXSA-N	183.339	3.367	30	20	AGED	
C=CCN1CCC[C@H]1[C@H](C)CCC	308222798	LWYAJSWVCUOILT-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN(C1CC1)[C@@H](C)[C@H](C)CC	591475405	RSQGEIROJUYGPA-NEPJUHHUSA-N	195.350	3.462	30	20	AGED	
C=C(CC)CN[C@@H]1CC[C@@H](C)C[C@@H]1C	85058655	PRXWTRPWAYZXMX-FRRDWIJNSA-N	195.350	3.367	30	20	AGED	
CC(C)[C@@H](C)C1(C=O)CCCC1	306319406	ABZZEBNRRZBSJI-SNVBAGLBSA-N	168.280	3.038	30	20	AGED	
CCON=C1CCC[C@@H](C(C)C)C1	308304079	MMCZMXSAEHUKHN-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
CCC(C=NOC[C@@H](C)CC)CC	379405491	UDYUFBJEGOQLPD-JTQLQIEISA-N	185.311	3.471	30	20	AGED	
CC[C@H](C)C=NOC[C@H](C)CC	388499102	LIZOVBPTKHPXIO-VHSXEESVSA-N	171.284	3.081	30	20	AGED	
C=C(C)CCOc1c(F)cccc1F	681363434	IYVZKMGGYNVWOX-UHFFFAOYSA-N	198.212	3.310	30	20	AGED	
C=C(C)CCN1C[C@@H](C)CCC[C@H]1C	681403843	LKUFKYLVTLFOCX-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@H]1CC	844622048	SXNJNKYISMNLBY-NXEZZACHSA-N	181.279	3.144	30	20	AGED	
C=CC[C@@H](C)NC[C@@H](C)CC(C)C	300836347	CPGDFCYRLHFUNZ-NWDGAFQWSA-N	183.339	3.223	30	20	AGED	
C=C(C)CS[C@@H](C)c1ncc(C)o1	308300426	LQULXTHOWQCLBI-VIFPVBQESA-N	197.303	3.353	30	20	AGED	
CC1(C)CCC([C@H]2C[C@H]2C=O)CC1	521401274	WELWMDVWYAOBPX-WDEREUQCSA-N	180.291	3.038	30	20	AGED	
C=CCC[C@@H](C)NCC[C@@H](C)CC	658123371	ZQCUPNGLCFIKGI-NWDGAFQWSA-N	183.339	3.367	30	20	AGED	
C=CCN(C)[C@H](C)c1cccc(C)c1	681695675	JSJIWPUFYWYOQX-GFCCVEGCSA-N	189.302	3.174	30	20	AGED	
C=C(C)CSC1CCCC1	41391355	KMUGQBIXGPMUDP-UHFFFAOYSA-N	156.294	3.238	30	20	AGED	
CSCc1ccc(Cl)cc1C#N	260820800	ORVBGJUREFXIQQ-UHFFFAOYSA-N	197.690	3.075	30	20	AGED	
CC(C)CS[C@@H]1CC[C@H](C#N)C1	336195170	PCZQUVKBOXXEJL-VHSXEESVSA-N	183.320	3.068	30	20	AGED	
C=CCCC[C@H](C)N[C@H](C)CC	379336674	RWKIWERJDQPDEJ-MNOVXSKESA-N	169.312	3.119	30	20	AGED	
C=C(C)CN(C)C[C@H]1CCC[C@H](C)C1	679220454	YALCWVMLIWMMTL-STQMWFEESA-N	195.350	3.321	30	20	AGED	
CC(C)CCC=NOC/C=C\Cl	378863763	WEOYJVYANQTNKZ-PFLWOJAJSA-N	189.686	3.178	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1C[C@H]1CC(C)C	385878642	WOAPJJJWNGHXBC-YNEHKIRRSA-N	195.350	3.365	30	20	AGED	
C=CCCN(C)Cc1csc(C)c1	648539197	YUFMCGUOOQUCCR-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
C=C[C@H](C)ON=C(C)CC1CCC1	844622084	ULAQIPUHKBZSBQ-JTQLQIEISA-N	181.279	3.144	30	20	AGED	
C=C(C)[C@H](C)OC(=O)C(C)(C)CCC	845514466	NGKUQBRHUOCDKO-JTQLQIEISA-N	198.306	3.321	30	20	AGED	
C=C(CC)CN1CC[C@@H](C)[C@H]1CC	308417091	NLEJAMQMIJSGHJ-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=C[C@@H](C)N[C@H](CC)c1ccsc1	382125643	NPFGHMXVQFSVHT-MWLCHTKSSA-N	195.331	3.363	30	20	AGED	
CC(C)[C@H](C)Nc1cccc(C#N)c1	19922175	WMGUMOZUBHMEIL-JTQLQIEISA-N	188.274	3.015	30	20	AGED	
Cc1cccc(C=NOCC(C)C)c1	749636428	JCCWJNOJDSAPEC-UHFFFAOYSA-N	191.274	3.002	30	20	AGED	
C[C@@H]1CCC[C@H](CON=C2CCC2)C1	781614255	LJSAZMOYDIBQIN-MNOVXSKESA-N	195.306	3.369	30	20	AGED	
CC[C@@H](C)NN=C1CCCC[C@H]1CC	790182614	LCIGDGRFOPYJEN-GHMZBOCLSA-N	196.338	3.331	30	20	AGED	
C=CCCCCN(CC)C(C)C	827468678	WJLSQFGGTSLLRB-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=CCCN[C@@H](CC)c1cccs1	70592017	PVZBJJUYXKJNRB-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C#CCCCCN[C@H](C)CCCCC	222293586	DCJWXUHGFSBEJL-CYBMUJFWSA-N	195.350	3.348	30	20	AGED	
C=CC[C@H](CC)N[C@H](CC)[C@H]1C[C@H]1C	321750513	ATNQUEKSOOKOTN-MROQNXINSA-N	195.350	3.365	30	20	AGED	
C=C(Cl)CN(CC(C)C)C(C)C	388420626	HLKUJTPWQKPYEZ-UHFFFAOYSA-N	189.730	3.105	30	20	AGED	
C=CCC[C@@H](C)N[C@@H]1C[C@H]1C1CCC1	643909015	VUACHTNLHOWMPJ-KGYLQXTDSA-N	193.334	3.119	30	20	AGED	
C=C(C)CN1CCC[C@@H]2CCCC[C@@H]21	662378083	WURNKYKHUZCSCR-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=C[C@H](C)ON=C[C@@H]1CCC[C@@H](C)C1	844621895	PEALUYVOYZZEMB-GRYCIOLGSA-N	195.306	3.390	30	20	AGED	
CCCCCC[C@H](C)NC[C@H](C)C#N	42207599	SGJZWNXZUSIOMB-NEPJUHHUSA-N	196.338	3.095	30	20	AGED	
C=C(CC)CN(CC(C)C)C(C)C	308205088	YDXXIBKOFHMNET-UHFFFAOYSA-N	183.339	3.319	30	20	AGED	
C=CC[C@H](CC)N[C@H](CC)[C@H]1C[C@@H]1C	321750516	ATNQUEKSOOKOTN-ZDEQEGDKSA-N	195.350	3.365	30	20	AGED	
CCCCCCCN(CC)C1CC1	388291070	VZFVQDXVZZGNLM-UHFFFAOYSA-N	183.339	3.441	30	20	AGED	
C=CCCCN(C)[C@H](C)c1ccco1	605150193	INAOXZCRPGKHSZ-LLVKDONJSA-N	193.290	3.239	30	20	AGED	
C=CCC1(NCC2CC2)CCCCC1	648777367	OYNQDVNANGFBEV-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=CCC1(NCC(C)C)CCCC1	657702442	JPAUKZCYNQFATC-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C1CC(CON=C2CCC23CCC3)C1	853441194	QFIJTXALQSUPLK-UHFFFAOYSA-N	193.290	3.123	30	20	AGED	
CC(C)Sc1ccc(C#N)cc1	37655421	NBTQSHSLGMPKKH-UHFFFAOYSA-N	177.272	3.059	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1ccccc1F	136203871	DAFDMLBBDMQLLG-VHSXEESVSA-N	193.265	3.051	30	20	AGED	
CCCCCCCCCCC(=O)NC	141634363	MUZVJRFZJAXVBM-UHFFFAOYSA-N	199.338	3.263	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1ccc(C)cc1	157292894	KOAXTTFYVMMDEH-NWDGAFQWSA-N	189.302	3.220	30	20	AGED	
CCC[C@@H]1CCC[C@]2(CC1)O[C@@H]2C#N	306227123	WFYPMKHHNUXFIJ-IJLUTSLNSA-N	193.290	3.028	30	20	AGED	
CC[C@H](CC#N)NCCCC(C)(C)C	313450111	ZGPNAYQMQOWNNR-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
C=CCCCN1CCC[C@@H]1C(C)C	379386857	ZAEPMPFUJJPDQZ-GFCCVEGCSA-N	181.323	3.073	30	20	AGED	
C=CC(C)(C)CNC[C@H]1CC=CCC1	385035299	LZVQIDPNWXZDJD-LBPRGKRZSA-N	193.334	3.145	30	20	AGED	
C=CCCCN(C)Cc1ccccc1	605149581	XYBIHPFZLCEFQD-UHFFFAOYSA-N	189.302	3.085	30	20	AGED	
C=CCCCN1CCC[C@](C)(CC)C1	608508103	ZAWHJIVLAURMAW-ZDUSSCGKSA-N	195.350	3.465	30	20	AGED	
C[C@H]1CCC(=NN[C@@H](C)C(C)(C)C)C1	814937968	SSWPITOZZKDWRF-UWVGGRQHSA-N	196.338	3.187	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C	235074882	JNECSFAZHCDOQP-SDDRHHMPSA-N	195.350	3.365	30	20	AGED	
C=CCSC/C(Cl)=C/Cl	307832517	VYNIHRDPBGDIFI-XQRVVYSFSA-N	183.103	3.225	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)c1ccco1	308722045	DOVNQTIGJSDNLH-QWRGUYRKSA-N	193.290	3.285	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CC[C@@H](C)C1	381991311	PBWVUAWFHVMXQK-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CCCCN1CC[C@@H](C)C[C@@H](C)C1	676903747	BXVYAQGSWSJQDG-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
CC[C@H](C)CON=C[C@@H]1CC=CCC1	793159969	SHMSYHXYIRVFJJ-NWDGAFQWSA-N	195.306	3.391	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)c1ccsc1	161687325	HMLZASXATVPTDY-NXEZZACHSA-N	195.331	3.363	30	20	AGED	
CC#CCCSCC(C)(C)C	307645475	YTAHCGUYHSWNNR-UHFFFAOYSA-N	170.321	3.179	30	20	AGED	
C=C(CC)CN1CCCC[C@@H]1CC	379418685	WMVPCRGXMXOYSO-LBPRGKRZSA-N	181.323	3.217	30	20	AGED	
C[C@H](CSCC#N)c1ccccc1	388608686	WVOZPOKZHQMZNK-SNVBAGLBSA-N	191.299	3.047	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC[C@@H]1C[C@H]1CC	648731992	IMRHPKYJLSFZTF-LOWDOPEQSA-N	195.350	3.223	30	20	AGED	
C=CCCN[C@H](C)C1CCCCC1	38950038	ASKJGKLULBOINE-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=C(CC)CNC1CCCCCC1	85057331	VMUSFINYWNXEKZ-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC(C)(C)C[C@H]1C	300061617	JNECSFAZHCDOQP-GRYCIOLGSA-N	195.350	3.365	30	20	AGED	
C=C(Cl)CN1CCC[C@H]2CCC[C@@H]21	307321365	QGYGJXAXYPKXBX-MNOVXSKESA-N	199.725	3.003	30	20	AGED	
C1CC(=NOCCC2CCCC2)C1	379394424	XHCNTGIDXRPUFP-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
C=CCCN1CC[C@@H](C2CCCC2)C1	643254548	VXHRIYKCKGATHX-CYBMUJFWSA-N	193.334	3.075	30	20	AGED	
C=C(CC)CN(C)[C@@H]1CCCC[C@H]1C	682031684	PTAIBAYPADJZLF-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C[C@H](C)N[C@H](C)CCCC(C)C	224559323	JJGFGRANNNWSTG-NWDGAFQWSA-N	183.339	3.365	30	20	AGED	
N#CCC[C@@H]1C[C@H]1c1ccccc1	261023440	YRDCLOMERWSGJC-NEPJUHHUSA-N	171.243	3.094	30	20	AGED	
C=CCCSCCC(C)C	306476332	VQOUXMSZVQAGBK-UHFFFAOYSA-N	158.310	3.342	30	20	AGED	
C=C(C)CCN(C)[C@@H](C)CCCC	308293133	INDPGHAEAOCJEQ-LBPRGKRZSA-N	183.339	3.463	30	20	AGED	
CC(C)CON=CCC(C)(C)C	388410747	XKXHOIGICCGLAR-UHFFFAOYSA-N	171.284	3.081	30	20	AGED	
C=C(C)CN1C[C@H](C)[C@H]2CCCC[C@H]21	679863467	OZBOCSRHJQMEHG-YNEHKIRRSA-N	193.334	3.073	30	20	AGED	
CCCCCCCCCCC=NN	1857791283	MBJQTSUCNJPDLG-UHFFFAOYSA-N	184.327	3.462	30	20	AGED	
C=C(C)CCSc1ccccn1	212348687	VVUBLQNMLPKSDF-UHFFFAOYSA-N	179.288	3.140	30	20	AGED	
CCSCCCCC(C)(C)C#N	233819397	YANHUXWFEKWEKS-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C=C(C)CC[C@]1(C)CCC[C@]1(C)O	306301691	LOFGSMYVRKXVJD-RYUDHWBXSA-N	182.307	3.284	30	20	AGED	
C=C(Cl)CSc1ccc(C)cn1	307726597	CHGHYEPZBMHOME-UHFFFAOYSA-N	199.706	3.235	30	20	AGED	
CCC[C@H](CC)S[C@H](C)C#N	379243898	ZBVMVRMNVHQNCG-BDAKNGLRSA-N	171.309	3.210	30	20	AGED	
CCCNN=C[C@@H]1CCC[C@@H](CC)C1	783827005	MVWHRNYHPLOXEN-VXGBXAGGSA-N	196.338	3.188	30	20	AGED	
CCCON=C1CC[C@@H](C)C[C@H]1C	842554587	QIXUIGNELYPUII-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
C=CCCCNC1CC2(CCCC2)C1	926324730	WZSDFHBNASGQPA-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C[C@@H]1CCCC[C@]1(C=O)CC(F)F	306262063	XXYRZZVKEXOIKK-PSASIEDQSA-N	190.233	3.037	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CC[C@H](C)C1	381991315	PBWVUAWFHVMXQK-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
C=C(Cl)CN[C@@H](C)CC(C)(C)C	384560156	HPNNNYKTZQJYSC-VIFPVBQESA-N	189.730	3.153	30	20	AGED	
C=CCCCN(C1CC1)[C@H](C)C1CC1	605149883	KPNBYGNNOWQACF-LLVKDONJSA-N	193.334	3.216	30	20	AGED	
C=CC[C@@H](C)N[C@@H]1CCC(C)(C)C1	164445583	QZOKBEGEYIYZQG-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
CC[C@H](C)CON=C1CC[C@H](C)C1	378872060	QDTUNUKMQXROMK-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
C=CC[C@@H](C)C(C)=NOC1CCC1	388735888	WNODSADLCNHPKG-SECBINFHSA-N	181.279	3.144	30	20	AGED	
C=C(C)CCN(C)Cc1ccccc1	681399025	VFCPXFRXULVIIG-UHFFFAOYSA-N	189.302	3.085	30	20	AGED	
C=C[C@](C)(CC)C(=O)OCC(=C)CC	785762120	QKSKWNYRBBHQGB-GFCCVEGCSA-N	196.290	3.098	30	20	AGED	
CC[C@H](C)CC=NOC1CCCC1	834969119	SNWZMKXMBWSEHX-JTQLQIEISA-N	183.295	3.368	30	20	AGED	
C=CCCNc1cc(C)ccc1F	70591501	MAHOFEMZFBSJCZ-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=CCC[C@@H](N)c1cccc(Cl)c1	70594116	GBDDNCYKPFEYMJ-LLVKDONJSA-N	195.693	3.306	30	20	AGED	
C=CCOc1ccc2c(c1)CCCC2	96586564	JLEWHLGIBVFUAR-UHFFFAOYSA-N	188.270	3.130	30	20	AGED	
C#CCCCNC(C)(C)CC(C)(C)C	161117350	RHSWMHSJSRDGTJ-UHFFFAOYSA-N	195.350	3.204	30	20	AGED	
C=C(C)CCNc1cc(F)ccc1F	168944778	QHYRHHNHVMTHFY-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C[C@@H]1CC[C@](C=O)(C2CCCC2)C1	306197703	OHRUWUDAJIABOP-PWSUYJOCSA-N	180.291	3.182	30	20	AGED	
C=CCCCC(=O)O[C@@H](C)CCC	308309802	QOXUFBOGHHALHK-JTQLQIEISA-N	184.279	3.075	30	20	AGED	
CCON=C1C[C@H](C)CC[C@@H]1CC	388298574	MQAOMSVJDZCTPZ-ZJUUUORDSA-N	183.295	3.225	30	20	AGED	
C=CCCCOC(=O)CCCCCC	735529882	PPYABMHPRSYIBG-UHFFFAOYSA-N	198.306	3.466	30	20	AGED	
CON=C1CCCC12CCCCC2	834938926	SYYNYTNNQCYFIZ-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
CCC(=NOCC(C)C)C1CCC1	834967071	XIVJUMLXTMOZOM-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=C(CC)CNCc1ccccc1C	85057590	FLRIVUPRLYCFRM-UHFFFAOYSA-N	189.302	3.051	30	20	AGED	
C=CCC[C@H](C)N[C@H](C)C1CCC1	164639448	CNVZROCJHFCGSD-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
N#CCC[C@@H]1CCCCC1(F)F	260948923	LRYCCMATBASPOK-QMMMGPOBSA-N	173.206	3.116	30	20	AGED	
C=CCCCCCCNC[C@@H]1C[C@H]1C	308635009	CBMGGZXCRBERJC-OLZOCXBDSA-N	195.350	3.369	30	20	AGED	
C=CCCN(CC)c1ccccc1F	606897104	RAMWAQMUCINLEH-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
C[C@H]1CC[C@@](C=O)(C[Si](C)(C)C)C1	306411894	PJPFTIUGAPPULS-WDEREUQCSA-N	198.382	3.330	30	20	AGED	
C=CCCCSCCOC(C)C	379323581	RFWNUBRNPZGUHE-UHFFFAOYSA-N	188.336	3.111	30	20	AGED	
C[C@@H]1CC(=NOCC2CC2)C[C@H](C)C1	814244559	ZURYWNAVGZLPMV-AOOOYVTPSA-N	195.306	3.225	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@H](C)C1	168956383	OXSTXVHHASGUQN-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
N#Cc1cccc(O[C@@H]2C=CCCC2)c1	169083506	URBRMSULKYIDFY-GFCCVEGCSA-N	199.253	3.046	30	20	AGED	
C=CCCSCC(C)(C)C	306495153	VARHXRPJGIXKAU-UHFFFAOYSA-N	158.310	3.342	30	20	AGED	
CCCCCS[C@H](C#N)C1CC1	601081058	XPRDPRAACSDMIB-SNVBAGLBSA-N	183.320	3.212	30	20	AGED	
CC#CCCOc1ccc(C)cc1C	157753131	SHANDXOEPOBFMZ-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C=CCN(CC(C)C)C1CCCC1	196051607	WDEDEXGKZIFLNI-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CC[C@@H](CC)NCc1ccc(C)o1	308616984	SABJBJKKOLOZKF-LLVKDONJSA-N	193.290	3.032	30	20	AGED	
C=CCCCSc1nc(C)c(C)[nH]1	393465707	CMXUBCYBEDOSIK-UHFFFAOYSA-N	196.319	3.085	30	20	AGED	
CC#CCCN1CCCC[C@H]1CCC	680892509	LKUVFMKFTWSAJU-CYBMUJFWSA-N	193.334	3.054	30	20	AGED	
C=C(CC)COC(=O)[C@H](C)C(C)(C)C	773515591	NEJCAIOKQZESDM-JTQLQIEISA-N	198.306	3.178	30	20	AGED	
CCCCNN=C[C@H]1CCCC[C@H]1C	783826928	INCMGZDTGRFWQR-VXGBXAGGSA-N	196.338	3.188	30	20	AGED	
C=CCOc1ccc(Cl)c(C)c1	36466674	NAKQIPALLLTRHN-UHFFFAOYSA-N	182.650	3.213	30	20	AGED	
CC[C@@H]1CCCC[C@H]1CS	147838502	YWOXYIBCBPEJGY-BDAKNGLRSA-N	158.310	3.133	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC[C@H]1C1CC1	308723838	FOZHIYPGWGPULK-RWMBFGLXSA-N	193.334	3.119	30	20	AGED	
C=C(CC)CN[C@@H]1CCC12CCCC2	649960396	FCYSTUWDWYIHQK-GFCCVEGCSA-N	193.334	3.265	30	20	AGED	
C=CCCCCOC(=O)[C@@H](C)CCC	811013390	SLXCNMUKCKUJQR-NSHDSACASA-N	198.306	3.322	30	20	AGED	
CCCON=C1CC[C@@H](C)C[C@@H]1C	842554617	QIXUIGNELYPUII-ZJUUUORDSA-N	183.295	3.225	30	20	AGED	
CCCON=C1CCC[C@@H](CC)C1	842556182	IGOOUVZAUYTJDV-SNVBAGLBSA-N	183.295	3.369	30	20	AGED	
C[C@H]1CCCC[C@H]1CON=CC1CC1	853736069	KPICGSSHPVMVIN-JQWIXIFHSA-N	195.306	3.225	30	20	AGED	
C=C/C=C\CCN(CC=C)C(C)C	877977443	WYQQSZSNYICRQK-FPLPWBNLSA-N	179.307	3.015	30	20	AGED	
C=CCCNc1cc(C)cc(F)c1	85730565	RNLFBKLAPLGPKX-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=C[C@@H](C)NC1CCCCCCC1	157254904	CJUAMCCMIIYEOL-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C[C@H]1CCC[C@@]1(C=O)C1CCCC1	306722924	FZGVULGLBDPXJV-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
CC(C)CNN=C1CCC[C@H](C)[C@@H]1C	781124287	CUNRVZOVAZJHOI-QWRGUYRKSA-N	196.338	3.044	30	20	AGED	
C[C@H]1CCC[C@H](CON=C2CCC2)C1	781614256	LJSAZMOYDIBQIN-QWRGUYRKSA-N	195.306	3.369	30	20	AGED	
CCC(=NOCC(C)C)[C@H]1C[C@@H]1C	841633454	ORKSFGGTADLTOA-UWVGGRQHSA-N	183.295	3.081	30	20	AGED	
C#Cc1ccc(NC2CCCC2)cc1	898506986	ZZIAZHDCOUCVTB-UHFFFAOYSA-N	185.270	3.022	30	20	AGED	
C[C@H](S)c1csc(Cl)c1	235566348	XEDWFGCCYHMTQR-BYPYZUCNSA-N	178.709	3.392	30	20	AGED	
CC#CCNc1ccc(C(F)F)cc1	306890778	ZJBKCDXKAJBFCA-UHFFFAOYSA-N	195.212	3.059	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)CCC1CC1	308258895	MKWPUKAQGGRJEM-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
C=CCCN[C@@H](CC)c1ccsc1	382196390	ZWDGFZRNEUYOOX-NSHDSACASA-N	195.331	3.365	30	20	AGED	
CCCCN(CCC#N)CCC(C)C	610391909	COWYNZGXQXVSII-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=C(C)CN1CCC(CC)(CC)CC1	681599181	MMVWVYUDZYLXLI-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCCN[C@@H](C)c1ccc(C)s1	70591940	CKHLJXGXTDPVOK-JTQLQIEISA-N	195.331	3.283	30	20	AGED	
C=CCCCN[C@@H](C)c1ccsc1	70592346	ZGKKBVPFTVHUFU-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C=CCC[C@@H](C)NCCCC(C)C	126741016	BGEVXZWHKQVILW-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
Cc1ccc(CS)c(Cl)c1	138766720	KFUKQIJXSWCBIA-UHFFFAOYSA-N	172.680	3.078	30	20	AGED	
CC(C)[C@@H](C)S[C@H](C#N)C1CC1	601079179	XGSARTUXJDBIHB-PSASIEDQSA-N	183.320	3.066	30	20	AGED	
C=C(Cl)CN1[C@H](C)CCC1(C)C	839616305	SJWVNTQNTOCUCK-SECBINFHSA-N	187.714	3.002	30	20	AGED	
C=C[C@@H](C)ON=C1CCC12CCCC2	844626650	ZGCFLRFJKZIKPY-SNVBAGLBSA-N	193.290	3.288	30	20	AGED	
CCCC[C@@H](CC)NCC(C)(C)C#N	164956767	CEPBIJXHOHJDKX-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
CC#CCSCCc1cccs1	308131034	XKCVIGPHAOXFDT-UHFFFAOYSA-N	196.340	3.047	30	20	AGED	
C=CCCCCN1CC[C@H](C)[C@@H]1C	649338721	JNJWTOLYAMBSRN-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCCCCN1CCCC12CCC2	829283775	VTDJVQHZQCBCAV-UHFFFAOYSA-N	193.334	3.361	30	20	AGED	
C=CCC[C@H](C)NC(CC)CC	126703522	VGMQMKRBCOQUOC-JTQLQIEISA-N	169.312	3.119	30	20	AGED	
Cc1ccc(C=NOC(C)(C)C)s1	379355920	MMUXBMJINXLVFV-UHFFFAOYSA-N	197.303	3.206	30	20	AGED	
C1=C(CCON=C2CCC2)CCCC1	842031525	VWWNRXITJQPXBK-UHFFFAOYSA-N	193.290	3.433	30	20	AGED	
C=CCN[C@H](C)c1ccc(Cl)cc1	19875798	AMOAWNMQUVHSIQ-SECBINFHSA-N	195.693	3.177	30	20	AGED	
N#CCCSc1cccc(Cl)c1	54185503	MQBQXAIXYJTSSB-UHFFFAOYSA-N	197.690	3.346	30	20	AGED	
C=CCC[C@@H](N)c1ccc(Cl)cc1	70594074	FHAXINPIBOWKET-LLVKDONJSA-N	195.693	3.306	30	20	AGED	
CCN(CCCC(C)(C)C#N)C(C)C	83642693	CXQGFOSWWGRQGH-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CC[C@H](C)C1	128508984	NICYVQQWVODKRV-SRVKXCTJSA-N	181.323	3.119	30	20	AGED	
CCCCCS[C@@H](C#N)CC	232044319	XGUIWUBEBIZSQV-SECBINFHSA-N	171.309	3.212	30	20	AGED	
CCC(=NOCC(C)C)[C@H]1C[C@H]1C	841633510	ORKSFGGTADLTOA-ZJUUUORDSA-N	183.295	3.081	30	20	AGED	
CC1=CC(=NOCC2CCC2)CCC1	853439869	NNYZYMKEDPHTNS-UHFFFAOYSA-N	193.290	3.289	30	20	AGED	
CCCCCCCC(=O)NC(C)(C)C	103785329	BWGAFILDRDCLBT-UHFFFAOYSA-N	199.338	3.262	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1cc(C)oc1C	164568252	BEJWJPLUZDQOLQ-WPRPVWTQSA-N	193.290	3.122	30	20	AGED	
N#Cc1ccc(SCCCF)cc1	213864144	YQTUFYBBCMDVIH-UHFFFAOYSA-N	195.262	3.010	30	20	AGED	
C=C(CC)CN[C@H]1CCCC12CCC2	313493717	FXSDPAOSFZPBNV-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
Cl/C=C/CON=C[C@@H]1CC=CCC1	393565149	PFJGSVTZHWSEKL-VWWPJXGKSA-N	199.681	3.098	30	20	AGED	
C=CCCN(C)CC1CCC(C)CC1	607742496	IPWSLLHZDJVTDX-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=CC(C)(C)CN[C@H]1CC=C(C)CC1	648733594	UHAYMQXZQVNLNU-LBPRGKRZSA-N	193.334	3.287	30	20	AGED	
C=CC[C@@H]1CCCN([C@@H](C)CC)C1	661387855	ZZTSKYPAZCCWOL-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CN(C)CC1CCCCC1	678623343	OJCAXGDKUMXCAM-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCCSCCC(C)(C)C#N	388480572	ULWQWUQSYQDWKW-UHFFFAOYSA-N	183.320	3.236	30	20	AGED	
C=C(C)c1cccc(OC(C)(C)C)n1	844235876	LOFBRQKOMJQZQY-UHFFFAOYSA-N	191.274	3.292	30	20	AGED	
CC(C)[C@H](C)[C@]1(C=O)CCC[C@@H]1C	306377253	NVPMYPXYIWIBFH-SRVKXCTJSA-N	182.307	3.284	30	20	AGED	
C=C[C@@H]1CCCCN1C/C=C(/C)Cl	528480732	IZINVMRKLSYHCO-ZJRUKIMVSA-N	199.725	3.170	30	20	AGED	
CCCN(CCC)C[C@@H](C)CCC#N	602430198	WUKOCIJACZMVPX-LBPRGKRZSA-N	196.338	3.048	30	20	AGED	
C=CCC[C@@H](CC)N[C@@H]1C=CCC1	850511062	YTQWWQQNVBCJTR-VXGBXAGGSA-N	179.307	3.039	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CCC[C@@H](F)C1	1332341532	WVOVCPNHEJICOF-TUAOUCFPSA-N	199.313	3.211	30	20	AGED	
C=CCN[C@@H](C)c1cccc(Cl)c1	19875985	RULAMFDWNMGFDO-VIFPVBQESA-N	195.693	3.177	30	20	AGED	
CC[C@H](C)N(C)CCCC(C)(C)C#N	83642703	ZUGSOUASSNUOTD-NSHDSACASA-N	196.338	3.047	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1ccc(CC)o1	122996665	JJIXICIDEMWMQM-VHSXEESVSA-N	193.290	3.067	30	20	AGED	
C=C(C)CSc1nc(C)c(C)s1	307724871	ZUJGTEYHVXGLCC-UHFFFAOYSA-N	199.344	3.428	30	20	AGED	
C=CCCCC[C@@H](C)NCC1CC1	379380230	BTERVUANCJTISX-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=C(C)CN1CCC[C@H]1[C@@H](C)CCC	676041619	JIARXENSTYDOBS-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=C(C)CN(CC)[C@@H]1CCCC[C@H]1C	678350371	VGECNBDOESWQTB-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C(C)CON=C(C)c1ccccc1	771649415	VRBBZPUHOAHKJJ-UHFFFAOYSA-N	189.258	3.003	30	20	AGED	
C=C[C@H](C)ON=C[C@H]1CCC[C@@H](C)C1	844621898	PEALUYVOYZZEMB-WOPDTQHZSA-N	195.306	3.390	30	20	AGED	
CCC(=NOC(C)(C)C)[C@@H]1C[C@H]1C	1327461973	WSZZETFGKSWTQA-RKDXNWHRSA-N	183.295	3.224	30	20	AGED	
C=CCCCN1CCC[C@H](C)[C@@H]1C	308199072	TVWJTLAQVOIMGC-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=C(CC)CSc1ncccc1C	308312218	SCOSLFUQXCWLGL-UHFFFAOYSA-N	193.315	3.448	30	20	AGED	
C=CCCCN1CCC[C@@H]1C1CCC1	605150449	JKSMAEGUAYOQDE-CYBMUJFWSA-N	193.334	3.217	30	20	AGED	
C=CCCCN(C)C[C@H]1CC=CCC1	678275288	QNCYGHPHTJOTMR-ZDUSSCGKSA-N	193.334	3.241	30	20	AGED	
C=C[C@H](C)NC(=O)CCCCCCC	757014511	YQOPOIMNXCVOJW-NSHDSACASA-N	197.322	3.038	30	20	AGED	
CCCON=C(C)c1sccc1C	842556265	JQDPSFCCBFVLFT-UHFFFAOYSA-N	197.303	3.207	30	20	AGED	
C=CCCC(CC)=NOCC(=C)C	844617264	LUWDGLWQMGDKMV-UHFFFAOYSA-N	181.279	3.311	30	20	AGED	
CC#CCSC1CCCCC1	306607716	UTWFLBLKTDQOHT-UHFFFAOYSA-N	168.305	3.076	30	20	AGED	
C=CCCSCC=C(C)C	307721278	QHOOSQBNWWPRTI-UHFFFAOYSA-N	156.294	3.262	30	20	AGED	
C=CCCCCN[C@H](CC)C1CC1	388607645	WKLAWQPUYBEKIN-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
N#Cc1ccccc1SCCCF	213864774	KEJQARDUYJUABH-UHFFFAOYSA-N	195.262	3.010	30	20	AGED	
C[C@@H]1CCC[C@@]1(C=O)C[Si](C)(C)C	306381267	WEXVBMRZGGCHSQ-GHMZBOCLSA-N	198.382	3.330	30	20	AGED	
C=CCNc1cc(C)c(F)cc1Cl	306384058	CYYCXJZBAWOJKE-UHFFFAOYSA-N	199.656	3.385	30	20	AGED	
C=CCCCCN[C@@H]1CC[C@@H](C)C1	308147763	PEMYCHBPQRMLPU-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@H]1C=O	521400247	HFVCLAQVAWZUQZ-NOOOWODRSA-N	180.291	3.038	30	20	AGED	
C=CCCc1noc(/C=C(\C)CC)n1	651359646	IMTRTKXTIXHWOE-CMDGGOBGSA-N	192.262	3.002	30	20	AGED	
C=C(CC)CN1CC[C@@H](C2CCC2)C1	665288435	NKQHYJXMLRKCDZ-CYBMUJFWSA-N	193.334	3.075	30	20	AGED	
C=CC[C@H](C)C(C)=NNC1CCCC1	727778486	ABPKPQCJQVAIBD-JTQLQIEISA-N	194.322	3.107	30	20	AGED	
C[C@H]1CCCC[C@H]1CON=C1CCC1	853669663	LQIJQTNMFBEGEJ-QWRGUYRKSA-N	195.306	3.369	30	20	AGED	
CCCCCSCCCC#N	58263083	OMVBNZQFSQIINE-UHFFFAOYSA-N	171.309	3.214	30	20	AGED	
C=C[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1	300237248	XRBDMLLWSNVMEC-RWMBFGLXSA-N	195.350	3.365	30	20	AGED	
CCC#C[C@H](C)SCc1ccco1	307284630	JQPRHMQJANRXMF-JTQLQIEISA-N	194.299	3.315	30	20	AGED	
CC(C)[C@@]1(C=O)CCC[C@H](C)C1	307566760	OSROWDRCQAAVTJ-QWRGUYRKSA-N	168.280	3.038	30	20	AGED	
C#C[C@@H](CC)NCC(CC)(CC)CC	389237457	WSQMULXEMBSSOJ-LBPRGKRZSA-N	195.350	3.204	30	20	AGED	
CC(C)(C#N)CC1CC(C)(C)C1	585143219	KJZKIJFGJQDOSE-UHFFFAOYSA-N	165.280	3.362	30	20	AGED	
CC[C@@H](C)CC=NN1CCCC[C@@H]1C	853382346	YFZDGKCZMOTSPO-NEPJUHHUSA-N	196.338	3.283	30	20	AGED	
CC(C)/N=C(\Cl)c1ccccc1	100238079	TTXCYBZMLPRJAS-BENRWUELSA-N	181.666	3.080	30	20	AGED	in-vitro
C=CCC[C@H](C)NC[C@H]1CC[C@H](C)C1	300240247	CQKNDLWYIZTULU-AVGNSLFASA-N	195.350	3.367	30	20	AGED	
CCCN(CC)CC(C)(C)CCC#N	610930430	YJHXISGUVCYVEE-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CC[C@@H](C)C(C)=NNC1CCCC1	727778494	ABPKPQCJQVAIBD-SNVBAGLBSA-N	194.322	3.107	30	20	AGED	
C=C(C)CON=C(CC)[C@@H]1C[C@H]1C	844620715	ZPXSFDUAPZMALN-NXEZZACHSA-N	181.279	3.001	30	20	AGED	
CC[C@H](C)C(C)=NOCCC1CC1	308430152	ZJHDEVYFVCOZPR-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
CCCCCS[C@@H](C#N)C1CC1	601081054	XPRDPRAACSDMIB-JTQLQIEISA-N	183.320	3.212	30	20	AGED	
C=CCN(C)[C@H](C)c1ccccc1C	615464057	QUBCQFLWYBNSGE-GFCCVEGCSA-N	189.302	3.174	30	20	AGED	
CCC[C@@H](S)[C@@H]1CC1(C)C	306571392	FYYNVDFQEPDXBI-JGVFFNPUSA-N	158.310	3.131	30	20	AGED	
CCCN(C[C@@H](C)CCC#N)C(C)C	602705793	POISSTAYKPALIA-LBPRGKRZSA-N	196.338	3.047	30	20	AGED	
C=CCN(C)[C@@H](C)c1cccc(F)c1	621283159	WANBXCMAEAFEAV-JTQLQIEISA-N	193.265	3.005	30	20	AGED	
C=CCC[C@H](CC)NCCC(=C)C	648727743	BAQZHLYLSSEUSZ-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C=CCCCCCN1CCC(C)(C)C1	683783295	SBHIDHFVFLINBQ-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
CC(C)CC=NOCc1ccccc1	863968440	RAGJCWSQBMPAPI-UHFFFAOYSA-N	191.274	3.235	30	20	AGED	
C=CCCN(C)[C@@H]1CCC[C@H](C)C1	308193434	PDAORSVOQJXZDW-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CCCNN=C(CC)[C@@H](C)CCC	308497887	UZFPVMDZQOOGPY-JTQLQIEISA-N	184.327	3.188	30	20	AGED	
N#C[C@@H]1CC[C@@H](SC2CCCC2)C1	336196399	HTBAUQNOKBYQCL-MWLCHTKSSA-N	195.331	3.354	30	20	AGED	
CCC[C@@H](N[C@H](C#N)CC)C(C)(C)C	591242753	ANEZCAOUYDEKJO-WDEREUQCSA-N	196.338	3.093	30	20	AGED	
CCON=C1C[C@H](C)CC[C@@H]1C(C)C	767465311	ZUHDONLKYAQNTC-GHMZBOCLSA-N	197.322	3.471	30	20	AGED	
CC(Cc1ccsc1)=NOC(C)C	835000116	KMCFIOTWIVLCJI-UHFFFAOYSA-N	197.303	3.092	30	20	AGED	
C=CCON=C[C@H]1CCC[C@@H](C)C1	835013253	NWGDHAKNLFDFJN-MNOVXSKESA-N	181.279	3.001	30	20	AGED	
CCCON=C1CCC12CCCC2	842555074	TXUJTKAYEUDPBE-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
CCC(C)=NNc1cc(F)ccc1C	853393947	VRFVAWTZDUPVKA-UHFFFAOYSA-N	194.253	3.332	30	20	AGED	
CCCCCCCSCCCO	82016621	JMBGKUYNIMNHRP-UHFFFAOYSA-N	190.352	3.072	30	20	AGED	
C=CCNc1ccccc1OC(C)C	379642987	WJGIXNRUTFLBPJ-UHFFFAOYSA-N	191.274	3.072	30	20	AGED	
CC[C@H](C#N)SC/C(C)=C\Cl	388165100	YKVHGYQZOSBGIX-RBMBQVQZSA-N	189.711	3.164	30	20	AGED	
CC(C)[C@H]1[C@H](C2CCCCC2)[C@@H]1C=O	536952262	AUKBJYVTNAQGJA-JHJVBQTASA-N	194.318	3.284	30	20	AGED	
C=C1CCN(CCC2CCCC2)CC1	607731396	VWEGZGDPOOSCTN-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C=CCCN(C)c1ccc(C)c(C)c1	739902872	IZPBXVIDRQDMMM-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
CC[C@@H](C)NN=C1C[C@@H](C)C[C@@H](C)C1	790184715	ZVOFSEFWXCJESS-OUAUKWLOSA-N	196.338	3.187	30	20	AGED	
C=CCC[C@H](N)c1cccc(Cl)c1	70594115	GBDDNCYKPFEYMJ-NSHDSACASA-N	195.693	3.306	30	20	AGED	
C=C[C@H](C)N[C@H](C)c1ccc(F)cc1	157279581	CBDJXAAOVXMKFH-VHSXEESVSA-N	193.265	3.051	30	20	AGED	
C#CC(C)(C)Cc1ccc(C)cc1	224892478	XUIKKIRTJYMZHY-UHFFFAOYSA-N	172.271	3.197	30	20	AGED	
C=CC[C@@H](C)N[C@@H]1CCC12CCCC2	308563269	GMOZBAASUYDOOC-VXGBXAGGSA-N	193.334	3.263	30	20	AGED	
CCON=Cc1ccc(C(C)C)cc1	767463531	NDSDWGVJRZNAEK-UHFFFAOYSA-N	191.274	3.180	30	20	AGED	
C[C@@H]1CCCC(=NOCC2CCC2)C1	853440147	VDBWTNJMILDKPP-SNVBAGLBSA-N	195.306	3.369	30	20	AGED	
Cc1ccccc1CC(C)(C)C#N	49804146	MZKDJLGRBOIIII-UHFFFAOYSA-N	173.259	3.087	30	20	AGED	
CC1CCC(CC(C)(C)C=O)CC1	306755923	PIAVUPHSTRVSFD-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
C=C(CC)CN(CC)C[C@H](C)CC	308300416	LQANVTMGRBWJAY-GFCCVEGCSA-N	183.339	3.321	30	20	AGED	
CCON=Cc1ccc(Cl)c(C)c1	308310479	RCGWEXPKUQBMRU-UHFFFAOYSA-N	197.665	3.019	30	20	AGED	
C=C(CC)CN[C@@H]1CCC[C@@H]1CC	388601621	RYUVKQNZCSOYCM-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=C[C@H]1CCCCN1CC1(C)CCC1	645004635	SMGWYYYTZUONEZ-LBPRGKRZSA-N	193.334	3.217	30	20	AGED	
C=CC1CCN(CCCC(C)C)CC1	682155431	ZARABVOMQVAYEM-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
CC(CC(C)(C)C)=NOCC(F)F	834968651	NRCNLYZUWHRDEK-UHFFFAOYSA-N	193.237	3.080	30	20	AGED	
CC(C)ON=C1CCC[C@H](C2CC2)C1	835001659	YXULBRKLASPKNW-NSHDSACASA-N	195.306	3.368	30	20	AGED	
C=C[C@H](C)ON=C[C@@H]1CCC[C@H](C)C1	844621896	PEALUYVOYZZEMB-SDDRHHMPSA-N	195.306	3.390	30	20	AGED	
C=CCCN[C@@H](C)c1cccc(F)c1	70592011	KCWQTIDZMQPLCG-JTQLQIEISA-N	193.265	3.052	30	20	AGED	
CC#CCCSCC/C=C\CC	308037443	LJXKPLNOFOJGKO-ALCCZGGFSA-N	182.332	3.489	30	20	AGED	
C=CCCCCCN1CC[C@@H](C)C1	308273724	UCZQHLXQSWDLRD-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CCCCNN=C(CC)CCCC	308396927	DVVPYVSNUBTHMV-UHFFFAOYSA-N	184.327	3.332	30	20	AGED	
C#CC(C)(C)CC1CC(C)(C)C1	585143303	XVKSPKYWQYIAQB-UHFFFAOYSA-N	164.292	3.472	30	20	AGED	
CCC(CC)NN=C1CCCCCC1	734366473	SXKBDPMOWDYWJN-UHFFFAOYSA-N	196.338	3.475	30	20	AGED	
CC[C@H](C)NN=C[C@H]1CCC[C@@H](C)C1	790184525	XKYSKFFGMZUCNL-WOPDTQHZSA-N	196.338	3.187	30	20	AGED	
C=CCCN[C@@H]1CCC(C)(C)C[C@H]1C	168502081	OWPIIQOEMQGMCY-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C#CCCCCN[C@@H](CC)CCCC	222289271	GCGCCWGWMJJVNW-ZDUSSCGKSA-N	195.350	3.348	30	20	AGED	
CCC[C@H](S)[C@@H]1CC1(C)C	306571395	FYYNVDFQEPDXBI-YUMQZZPRSA-N	158.310	3.131	30	20	AGED	
C=C(CC)CN1CC(C)(C)C1(C)C	307704766	UBVXBIDOTATWEP-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=C(C)CN1CCC[C@@H](CCC)C1	308353971	KANLKPITAHHBJP-GFCCVEGCSA-N	181.323	3.075	30	20	AGED	
CCCNN=C1CC[C@H](C)C[C@@H]1CC	769569003	CTXNHBYBTUOLPM-QWRGUYRKSA-N	196.338	3.188	30	20	AGED	
C[C@@H]1CCC(=NNCCC(C)(C)C)C1	814902375	TWNXTHCSMRSKDM-SNVBAGLBSA-N	196.338	3.188	30	20	AGED	
C=C(Cl)CNc1cccc(C)c1C	37488433	MAJSEQKUANJWTM-UHFFFAOYSA-N	195.693	3.468	30	20	AGED	
C#CCCNc1ccc2ccccc2c1	70197443	WSWYVTFXGIAWKK-UHFFFAOYSA-N	195.265	3.275	30	20	AGED	
C#C[C@H](CC)N[C@H](C)CCCCCC	229519624	DEORNGBOJFWZOE-CHWSQXEVSA-N	195.350	3.347	30	20	AGED	
C=C(Cl)CSCCSCC	306572464	PGPORTOBJOTOGO-UHFFFAOYSA-N	196.768	3.225	30	20	AGED	
CC(C)[C@H](C)SCC1(C#N)CC1	308097624	DWDIKCUMIUSTOX-VIFPVBQESA-N	183.320	3.068	30	20	AGED	
CC(=NOC(C)(C)C)c1cccs1	308169613	ZAVSGVAJOCSIGC-UHFFFAOYSA-N	197.303	3.287	30	20	AGED	
C=CCCc1noc(/C(C)=C\CC)n1	651356331	QFJULEWOHMLYSH-CLFYSBASSA-N	192.262	3.002	30	20	AGED	
C=CCCCCCN1CCC[C@H](C)C1	683779230	KPZWMVGFZWEDCL-ZDUSSCGKSA-N	195.350	3.465	30	20	AGED	
CCCC(CC)=NO[C@@H]1CCCCO1	776187907	PGGHZRIGSZINDZ-LLVKDONJSA-N	199.294	3.096	30	20	AGED	
CCCNN=C(C)C[C@H](C)CC(C)C	779773365	OSZWDNDOUYEKQT-LLVKDONJSA-N	198.354	3.434	30	20	AGED	
C=CCON=C1CCCCC[C@@H]1C	844602278	YNQYOYPHXSDVNP-JTQLQIEISA-N	181.279	3.145	30	20	AGED	
CCC(=NN1CCCC[C@H]1C)C(C)C	853380554	XLWFAGHJSQEFTJ-LLVKDONJSA-N	196.338	3.283	30	20	AGED	
CC(C)C=NNc1ccc(F)cc1F	864350380	HOVBACGPASOLSI-UHFFFAOYSA-N	198.216	3.019	30	20	AGED	
C=CCN[C@H]1CCCC[C@@H]1C(C)(C)C	19875751	XCSAGSQWYQJPQN-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
CC[C@H](C#N)Sc1ccccc1F	43557492	MVNRLJNNDMDKLQ-MRVPVSSYSA-N	195.262	3.220	30	20	AGED	
C=C(C)C[C@@]1(C=O)CCCC[C@@H]1C	307622210	KZEXDKPIBRKZGO-NWDGAFQWSA-N	180.291	3.348	30	20	AGED	
C=C(CC)CN[C@@H](C)CC(C)(C)C	384687340	VZUXHSANAIWZPZ-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)[C@H](C)CC	388640524	OKCQFQRZZKFJGK-WOPDTQHZSA-N	183.339	3.365	30	20	AGED	
C=C(C)CSCc1ccc(C)nc1	594559107	MYPHPGXXJSRQPA-UHFFFAOYSA-N	193.315	3.199	30	20	AGED	
C=CCCN(C)C[C@H]1CCC[C@H](C)C1	682435053	IOBUSWTUVVSUAF-STQMWFEESA-N	195.350	3.321	30	20	AGED	
C=CCCNc1ccccc1Cl	70591389	YCBWWSRCPUBGLN-UHFFFAOYSA-N	181.666	3.328	30	20	AGED	
C=CCCCN[C@@H]1CCC[C@@H]1C(C)C	308527855	RASGLXLWDWTHEY-CHWSQXEVSA-N	195.350	3.367	30	20	AGED	
C=CCCCCN[C@@H]1CC[C@@H]1C1CC1	308556742	ZUHPLUJECBHHQT-CHWSQXEVSA-N	193.334	3.121	30	20	AGED	
CC(C)(C#N)CCSCCC1CC1	379418402	WCFAGUDWOSDXAX-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C[C@@H](CSCC#N)c1ccccc1	388608685	WVOZPOKZHQMZNK-JTQLQIEISA-N	191.299	3.047	30	20	AGED	
CC#CCNc1cccc2c1CCCC2	51662870	YHYQQLKKPNFXIL-UHFFFAOYSA-N	199.297	3.001	30	20	AGED	
C=C[C@@H](C)NCC(C(C)C)C(C)C	232541775	AIUPTJHRHZRWPU-LLVKDONJSA-N	183.339	3.079	30	20	AGED	
C=CCCCN1C[C@H]2CCCC[C@H]2C1	650015839	MBKACQVMCFVEBR-BETUJISGSA-N	193.334	3.075	30	20	AGED	
C=CCCCN1CC[C@H](C)C[C@@H](C)C1	676903750	BXVYAQGSWSJQDG-QWHCGFSZSA-N	195.350	3.321	30	20	AGED	
C=CC(C)(C)COC(=O)CC(C)(C)C	835724536	MNOBYPWAYOURBU-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
N#CCC1(CSC2CCCC2)CC1	83862474	CMCDCEHOSPKLGB-UHFFFAOYSA-N	195.331	3.356	30	20	AGED	
CCC(C=NNC(CC)CC)CC	388771641	GZPITWMGCLHGDT-UHFFFAOYSA-N	184.327	3.187	30	20	AGED	
C=C(C)c1nc(C2CC2)cs1	629730307	VZWPDTNNWAPTJR-UHFFFAOYSA-N	165.261	3.054	30	20	AGED	
CCCC[C@@H](CC)N[C@H](CC)CC#N	68987651	KPNJCELVJPIEGH-VXGBXAGGSA-N	196.338	3.237	30	20	AGED	
CCCCSc1cccc(C#N)c1	142740862	XIEAFVJUNHAJOD-UHFFFAOYSA-N	191.299	3.450	30	20	AGED	
CC(C)=CCC1(C=O)CCCC1	238141913	XBENXZOVPQJPKO-UHFFFAOYSA-N	166.264	3.102	30	20	AGED	
CC[C@H]1CC[C@](C=O)(C2CCC2)C1	306255565	MRSIKULKPUPOMM-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
CC[C@H](C)CSCC1(C#N)CC1	307945764	IRFQZBZRAYYIFM-VIFPVBQESA-N	183.320	3.069	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCC12CCCC2	308563267	GMOZBAASUYDOOC-RYUDHWBXSA-N	193.334	3.263	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCCC[C@H]1C	385073736	XAYYFDSBEAKKDB-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CC(C)(C)CN[C@H](C)CC1CCC1	395382117	KBWGKXIBKDNIGZ-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
C=CCCCCOC(=O)/C=C/C(C)C	811012259	DDFBBDVRUVXZEM-CMDGGOBGSA-N	196.290	3.098	30	20	AGED	
C[C@@H]1CCC[C@H](C=NOCC2CC2)C1	814244547	ZKNIKHAWHMKHHC-PWSUYJOCSA-N	195.306	3.225	30	20	AGED	
C=CCCCN[C@H]1CCCC[C@H]1C	70591401	HZCZDFVSPNMAPL-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
N#CCCc1csc2ccccc12	82579887	KVQFWOVQEKXJGX-UHFFFAOYSA-N	187.267	3.357	30	20	AGED	
C#CCCNc1cc(C)ccc1Cl	230309617	IVTXJUCKTJCNAE-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C[C@@H]1CCC[C@@H](C2(C=O)CCC2)C1	307366966	NYBSXGNDWYMBTN-GHMZBOCLSA-N	180.291	3.182	30	20	AGED	
C[C@H]1CCCC(=NOC2CCC2)C1	379358083	UJMMKBOACSRCMY-VIFPVBQESA-N	181.279	3.122	30	20	AGED	
C[C@H]1C[C@H](C)CCC1=NOC1CCC1	812235342	SNDLUSMKKLMLFI-ZJUUUORDSA-N	195.306	3.368	30	20	AGED	
C#C[C@@H](NCCC(C)(C)C)C(C)(C)C	308605337	BPSZIJVFISREGU-LLVKDONJSA-N	195.350	3.060	30	20	AGED	
CC[C@H]1CCCC1=NOCC(C)C	379386649	YNGIERSZTHRENQ-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
C=CCCN1CCC[C@H]1[C@@H](C)CCC	676041898	PLOOOMILSSPZMV-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=C(CC)CN(C)c1ccccc1F	678625319	SZJSSTNLUNUKBT-UHFFFAOYSA-N	193.265	3.228	30	20	AGED	
C=CCCCOC(=O)CC(CC)CC	759413090	LDMJGRYXOPNCJA-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
C=CCN[C@@H](CC)c1ccc(C)cc1	19875940	LGDZDQAZKNXTJM-ZDUSSCGKSA-N	189.302	3.222	30	20	AGED	
C=C[C@@H](C)N[C@H](C)c1cccc(F)c1	136204115	AMLGSVKKIANWBC-NXEZZACHSA-N	193.265	3.051	30	20	AGED	
C=C(C)CSCc1ccco1	39646352	XQWRXTNOOPKDNY-UHFFFAOYSA-N	168.261	3.089	30	20	AGED	
CC[C@H](C)Sc1cccc(C#N)c1	229754470	FSJOHAFKXSYCMU-VIFPVBQESA-N	191.299	3.449	30	20	AGED	
C=CCCNc1ccc(F)c(CC)c1	308618938	SLZRXJGNADWHFX-UHFFFAOYSA-N	193.265	3.376	30	20	AGED	
C#C[C@H](C)N[C@@H](C)C[C@H](C)CC(C)C	389289774	YLPZEFLHVMEIQL-AGIUHOORSA-N	195.350	3.059	30	20	AGED	
C=CCC[C@H](C)N[C@@H]1CCC[C@@H]2C[C@@H]21	646089461	UYDCXNSQICQXMY-QNWHQSFQSA-N	193.334	3.119	30	20	AGED	
C=C(C)CCSCCSCC	38761526	QXBQCULQHLIPQZ-UHFFFAOYSA-N	190.377	3.439	30	20	AGED	
C=C[C@H]1CCCCN1C[C@@H](C)CC	308316451	VUYOKXPLLFMKRB-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CC[C@@H](C)C(C)=NOCCC1CC1	814247101	RCKGSUAOUWLNBG-SNVBAGLBSA-N	195.306	3.391	30	20	AGED	
CCCC[C@@H](CC)CN[C@H](C)CC#N	219411388	WRHQWESPDNAXEK-VXGBXAGGSA-N	196.338	3.095	30	20	AGED	
CCCCCCCn1cc(C)cn1	308479415	MUMKRSIMTYYBQS-UHFFFAOYSA-N	180.295	3.162	30	20	AGED	
N#C[C@H]1CC[C@@H](SC2CCCC2)C1	336196394	HTBAUQNOKBYQCL-GXSJLCMTSA-N	195.331	3.354	30	20	AGED	
CC(C)(C)CS[C@@H]1CC[C@H](C#N)C1	336255234	CXTKCFTXGYTWNP-VHSXEESVSA-N	197.347	3.458	30	20	AGED	
C=CCCCCN1C[C@H](C)C[C@@H]1C	649320773	MYQGZVLLGHXZIJ-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=CCCCCNC1(C2CCC2)CC1	649811067	DKRIYZYFVWTSCY-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCC1=CCCC1	658292697	MEXCOHOOESXZTC-NEPJUHHUSA-N	193.334	3.287	30	20	AGED	
C=CCC[C@@H](CC)NC/C=C\Cl	898433369	NYGAVUHYSWDJJS-BJPMOSCESA-N	187.714	3.073	30	20	AGED	
CC[C@@H](C#N)Nc1cc(C)ccc1C	43539396	FLNGWHJDJDGEJD-NSHDSACASA-N	188.274	3.018	30	20	AGED	
CCC(CC)=NNc1ccccc1	196216710	YMHWUMAUQXCMBS-UHFFFAOYSA-N	176.263	3.275	30	20	AGED	
CC[C@H]1CCC[C@@H](C(C)(C)C=O)C1	306461896	GTJCAGUPRUKAFA-WDEREUQCSA-N	182.307	3.428	30	20	AGED	
C=C(CC)CN[C@@H](CC)CCC	85058273	OPCAQYJVMMZXSB-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C=C(CC)CN[C@H](C)c1ccsc1	85058463	XDEGZRDGNCTXCM-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
CCC(CC)N(CC)CCCCC#N	588977281	KVRPCVYEYFRGLL-UHFFFAOYSA-N	196.338	3.191	30	20	AGED	
C=CCCC[C@@H](C)NC(=O)CCCC	678881854	XSQUHQOPHSNLCO-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
CC(C)ON=C1CC2(CCCC2)C1	901249874	JUYQJQOUFFNUHB-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C#CCCSc1ccc(C)cc1C	82496827	AGRIIRSCDJPENV-UHFFFAOYSA-N	190.311	3.419	30	20	AGED	
C=C(C)CCN[C@H]1CCCC12CCC2	394780179	YNDPXODJEBVACG-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
CC[C@H]1CCC1=NN[C@H](C)C(C)(C)C	793115534	RLRUAEMUSLFJAU-ZJUUUORDSA-N	196.338	3.187	30	20	AGED	
C#Cc1cccc(N[C@H]2CC[C@@H](C)C2)c1	70747537	ITTMEEKGKNJAHQ-RISCZKNCSA-N	199.297	3.268	30	20	AGED	
C=C(C)COc1ccc(F)c(C)c1	135406241	ZBQPBZSBVJLBEI-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
C=CCOc1cccc(Cl)c1F	307324629	SBUNOMIGFPKUHP-UHFFFAOYSA-N	186.613	3.044	30	20	AGED	
C#CCCCN[C@@H](CCC)CCC=C	308633614	ADFJYQTZCOIAHT-ZDUSSCGKSA-N	193.334	3.124	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NCC1CC=CC1	624076111	HUXDQMBRXBHZJQ-NWDGAFQWSA-N	193.334	3.143	30	20	AGED	
CC[C@H]1CCCC1=NOCC1CCC1	853439804	RFQOETGKHLRSNL-NSHDSACASA-N	195.306	3.369	30	20	AGED	
CC[C@@H]1CCCC[C@@H]1C1(C=O)CC1	306257329	PNOVHGPIMSAISJ-MNOVXSKESA-N	180.291	3.182	30	20	AGED	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2S	20476509	MDCBFUJJCQRQPI-CBAPKCEASA-N	194.299	3.179	30	20	AGED	
C[C@@H](C#N)Sc1cccc(Cl)c1	54185550	RFTGWQZXLAROSE-ZETCQYMHSA-N	197.690	3.344	30	20	AGED	
C=CCSc1ccc(F)cc1F	306601121	JUIHLMBCAIUQKW-UHFFFAOYSA-N	186.226	3.243	30	20	AGED	
C=C(CC)CN(C)[C@H](C)C1(C)CC1	308204386	XLZNKMIHCYQQMU-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=CCCCSCc1cc(C)no1	308389059	WWEQUWSNDUVYOL-UHFFFAOYSA-N	197.303	3.182	30	20	AGED	
N#C[C@@H](Sc1ccccc1)C1CC1	601070338	OBVWKBKDIZFWKW-LLVKDONJSA-N	189.283	3.081	30	20	AGED	
C=CCCCN(CC)c1ccccc1	605149951	USVDDSZFGPDDJB-UHFFFAOYSA-N	189.302	3.479	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CC=C(C)CC1	648733593	UHAYMQXZQVNLNU-GFCCVEGCSA-N	193.334	3.287	30	20	AGED	
CC[C@@H](C)C(C)=NN1CCCC[C@H]1C	853379016	LUOYZVJMOTWWIZ-GHMZBOCLSA-N	196.338	3.283	30	20	AGED	
CC#CCOc1ccc2ccccc2c1	6820197	OEERPBUHVWHFDK-UHFFFAOYSA-N	196.249	3.242	30	20	AGED	
CC(C)(C#N)Cc1ccccc1Cl	49804137	VIUWFGBZUGWGGU-UHFFFAOYSA-N	193.677	3.432	30	20	AGED	
C=CCCN1C[C@H](C)[C@H]2CCCC[C@H]21	679861033	KLSVKENLCPRIKX-YNEHKIRRSA-N	193.334	3.073	30	20	AGED	
Cc1ccc(SCCC#N)s1	830037119	LKTKDFMLFAAYSE-UHFFFAOYSA-N	183.301	3.062	30	20	AGED	
C=CCOc1cccc(C)c1Cl	39116897	WBZKXRBECZCLOD-UHFFFAOYSA-N	182.650	3.213	30	20	AGED	
CC(C)CCC[C@@H](C)NCCCC#N	42222296	BTJHYJFYDAMZIT-GFCCVEGCSA-N	196.338	3.095	30	20	AGED	
CC#CCNc1cccc(C)c1Cl	300763541	ACVOOOYMVMKVEN-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCC[C@@H](CC)N[C@H](C)CC	307989780	SNXKACASFDBLRS-GHMZBOCLSA-N	169.312	3.119	30	20	AGED	
C=CCCCCNCc1ccsc1	393552327	DJUQSMRQUHTGKM-UHFFFAOYSA-N	195.331	3.194	30	20	AGED	
C=C[C@@](C)(CC)C(=O)OC[C@@H](C)CC	785755096	UJYLLJIVZFBNDX-JQWIXIFHSA-N	198.306	3.178	30	20	AGED	
C=C(C)CON=C[C@@H](C)CC(C)C	844618563	VYUGZPUTOSYAJB-NSHDSACASA-N	183.295	3.247	30	20	AGED	
CCCCCCCN[C@H](CC)CC#N	107599759	IUORZCYJKPLBNY-GFCCVEGCSA-N	196.338	3.239	30	20	AGED	
C#CCCCN1CCCC[C@@H]1CCC	163563608	PTFZKEOUNVGYND-ZDUSSCGKSA-N	193.334	3.054	30	20	AGED	
C#CCCCN[C@@H](CC)C[C@H](C)CC	224308601	VYKIFDAVXRYARD-OLZOCXBDSA-N	195.350	3.204	30	20	AGED	
Cc1cc(Cl)cc(CS)c1	306835121	SBJJDHRZFNCUED-UHFFFAOYSA-N	172.680	3.078	30	20	AGED	
C=C(C)CN1CCC[C@H]1C(C)(C)C	306971312	URGSJXMWTPESTO-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=CCSCCc1cccs1	307867697	KANJFNLSBFWFCZ-UHFFFAOYSA-N	184.329	3.210	30	20	AGED	
C=CC[C@@H](C)N[C@H](C)C(C)(C)CC	651263610	KCVUBEMOGMVONQ-GHMZBOCLSA-N	183.339	3.365	30	20	AGED	
C=C(C)CCN1CC[C@@H](C)C[C@H](C)C1	681406931	FYRWGMANSFHLEG-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
CC(C)CNN=C[C@@H]1CCC[C@@H](C)C1	771568169	WZNUTIDDWVFGEF-VXGBXAGGSA-N	196.338	3.044	30	20	AGED	
CCCC(CCC)=NOC(C)C	835004406	STTYVAIAXYODBJ-UHFFFAOYSA-N	171.284	3.368	30	20	AGED	
N#CCCCOc1ccccc1Cl	19434608	XZHPINUYXBRJEO-UHFFFAOYSA-N	195.649	3.023	30	20	AGED	
CCCCC[C@H](C)NCCCCC#N	42222544	JZEXBBIWWOVALU-LBPRGKRZSA-N	196.338	3.239	30	20	AGED	
C=CCC[C@H](C)NCC(C)(C)CC	232967316	MWAASIOBLYMXDE-NSHDSACASA-N	183.339	3.367	30	20	AGED	
C=C(Cl)CN(C)[C@@H](C)C(C)(C)C	379317618	GQDIMMBBKOJUIV-VIFPVBQESA-N	189.730	3.105	30	20	AGED	
CC[C@@H](CC#N)N[C@H](C)CC(C)(C)C	385008623	WLNJCQBCHOQHHR-MNOVXSKESA-N	196.338	3.093	30	20	AGED	
C#CCCCSCc1ccsc1	901776864	UIQMRWRPCZSLSV-UHFFFAOYSA-N	196.340	3.395	30	20	AGED	
CC(=NOC1CCC1)c1ccsc1	308348584	XCHNOFSDPVDUCD-UHFFFAOYSA-N	195.287	3.041	30	20	AGED	
C=CCCN[C@@]1(C)CCCC[C@H]1C	308711031	OCLWIQURGYURHS-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CCC(C)(C)CN[C@H]1CCC[C@@H]1C	310539266	BRPMEJPIFUCNRQ-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
CC(C)(C)CCSCCC#N	591132965	IYXNTEZSZROPQS-UHFFFAOYSA-N	171.309	3.069	30	20	AGED	
CCON=C(C)[C@H](C)c1ccccc1	746369648	ZCZQTMMJHSCCMN-JTQLQIEISA-N	191.274	3.203	30	20	AGED	
CC[C@H]1CCC[C@@H](S)CC1	83435135	XQUPXMPFBFMVFS-DTWKUNHWSA-N	158.310	3.275	30	20	AGED	
C=CCCCC(=O)OC1CCCCC1	113512033	WKWVDODYWNAXCH-UHFFFAOYSA-N	196.290	3.219	30	20	AGED	
C=CCCSc1ccoc1C	307613101	LDKSLFNYCUHVAY-UHFFFAOYSA-N	168.261	3.256	30	20	AGED	
C[C@H]1CCCCC1=NOC1CCC1	308269319	RGOGJMVQVXGLBN-VIFPVBQESA-N	181.279	3.122	30	20	AGED	
C=CCNCC1CCC(C(C)C)CC1	308584605	LNGPFPAKJRERKS-UHFFFAOYSA-N	195.350	3.224	30	20	AGED	
CC(C)CON=C[C@@H]1CCC[C@H](C)C1	768368408	XYZIRKDGGBLWQX-NWDGAFQWSA-N	197.322	3.471	30	20	AGED	
C=C(C)CON=C1C=C(C)CCC1	844617832	SHFADHNWUBZUBO-UHFFFAOYSA-N	179.263	3.065	30	20	AGED	
C#CCCSc1ccc(C)c(C)c1	82496836	GWCRRHKDLUHGBU-UHFFFAOYSA-N	190.311	3.419	30	20	AGED	
C=C(Cl)CSCc1ccco1	90476520	YPKZZGZWDACYTA-UHFFFAOYSA-N	188.679	3.265	30	20	AGED	
CON=C1CC(C)(C)CC(C)(C)C1	166686763	VVAHYHWQVUZSNZ-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=CC(C)(C)CN[C@H](C)CC(C)C	385019040	ZMOVAOCSRUXZKV-LLVKDONJSA-N	183.339	3.223	30	20	AGED	
C=CCCCCN1C[C@@H]2CCCC[C@@H]21	660934605	SYWGBRLEYUUNEM-STQMWFEESA-N	193.334	3.217	30	20	AGED	
C=C[C@@H]1CCCCN1[C@@H]1C=CCCC1	683793033	NEDSBXWRLVQHJV-CHWSQXEVSA-N	191.318	3.136	30	20	AGED	
C=CCCC(=O)NCCCCCCC	862359050	DKYLINPCSHUXPY-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=C(C)[C@](C)(O)CCC=C(C)C	328579599	QPUBJKWMVWSKFO-LLVKDONJSA-N	168.280	3.060	30	20	AGED	
CCC(=NOC1CCCC1)C1CC1	379394068	WJXISIOBGHJTRT-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=CCCCCn1ccnc1C(C)C	649528092	XNONOONJWYYPQQ-UHFFFAOYSA-N	192.306	3.363	30	20	AGED	
C=CCOc1cccc2nc(C)ccc12	680532240	KMGMEJHMJOLHEX-UHFFFAOYSA-N	199.253	3.108	30	20	AGED	
CCCCC=NOCc1ccccc1	755633652	YEJUEGQBHJAJMA-UHFFFAOYSA-N	191.274	3.379	30	20	AGED	
C=C(Cl)CN[C@@H](C)CCC(C)C	70184458	ZWBFZVLDMGWLLQ-JTQLQIEISA-N	189.730	3.153	30	20	AGED	
C#CCCCOc1cccc(C)c1C	75421165	OQJSPQJWXFMMIK-UHFFFAOYSA-N	188.270	3.096	30	20	AGED	
C#CCCSc1ccc(Cl)cc1	82496814	CSYSTCFGSDCZRN-UHFFFAOYSA-N	196.702	3.455	30	20	AGED	
C=C[C@H](C)N[C@H](C)C1CCCCC1	157234945	UPYHRLLPNZFOHG-WDEREUQCSA-N	181.323	3.119	30	20	AGED	
CC[C@H]1CCC[C@](C=O)(C2CC2)C1	306311073	RIDDUYMCOJEZGO-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
C=C(CC)CN1CCC[C@H](C)CC1	306685397	IXHURLZRDCJQNR-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CC[C@@H](C)C(C)=NOCC(C)C	379405984	VFUYLLKHAKVVNT-SNVBAGLBSA-N	183.295	3.247	30	20	AGED	
C=CCCOc1ccc2[nH]ccc2c1	87723401	PPZGNJZXCJUHGN-UHFFFAOYSA-N	187.242	3.123	30	20	AGED	
CC(C)[C@@H](C)[C@]1(C=O)CC[C@@H](C)C1	306531179	FDPLHJBMIBYWLK-IJLUTSLNSA-N	182.307	3.284	30	20	AGED	
O=C[C@@]1(CC2CCCC2)CCCS1	306735450	WDPVZBVHURYPRS-NSHDSACASA-N	198.331	3.031	30	20	AGED	
C#C[C@@H](C)N[C@H](C)CCCCCC=C	308651534	KURWGFYUVPNBFL-CHWSQXEVSA-N	193.334	3.123	30	20	AGED	
C=CCCC(CCC)=NNCC(C)C	814892391	SQHUYMFVGDTQQI-UHFFFAOYSA-N	196.338	3.354	30	20	AGED	
C=C(CC)CN1C[C@H](C)C[C@@H]1CC	388607147	WBBZGXVMKGJJTL-NEPJUHHUSA-N	181.323	3.073	30	20	AGED	
C=C(C)CCN1C[C@H](C)CC(C)(C)C1	681410505	XSCYYZRXTJJJDT-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
CCCCNN=C1CCC[C@@H]1C(C)C	747753327	NQCYCKCHERKTDZ-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
C=CCC(CC=C)C(=O)OCCCC	758509941	LVJORSRETOCAEA-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
C=CCCN(CCCC)CCCC	5309077	PSZVXJSAVQUQTQ-UHFFFAOYSA-N	183.339	3.465	30	20	AGED	
CCCCCCCN[C@@H](C)C1CC1	59312472	ISZLRYFNQLDICZ-NSHDSACASA-N	183.339	3.345	30	20	AGED	
C=CC[C@H](C)N[C@@H](C)CCC(C)C	161662654	NFWHBBBZCFVKRE-RYUDHWBXSA-N	183.339	3.365	30	20	AGED	
C=CCC[C@H](NCCC1CC1)C1CC1	308644518	GWACIMXNIGVQIK-ZDUSSCGKSA-N	193.334	3.121	30	20	AGED	
CCCON=CC1CCCCCC1	842557170	OSNLRENJWUVGMS-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
CC(C)CC[C@@H](C)NCCCCC#N	70184459	XRFWNFPXLMTBOH-GFCCVEGCSA-N	196.338	3.095	30	20	AGED	
CCCC(CCC)NCC(C)(C)C#N	164689453	JNSKKZXLZVYSBF-UHFFFAOYSA-N	196.338	3.095	30	20	AGED	
CC(C)[C@]1(C=O)CCCC[C@H]1C	306387079	YSVYBWFSXRFQFN-GHMZBOCLSA-N	168.280	3.038	30	20	AGED	
C=CCCCCN[C@@H]1CC[C@H]1C1CC1	308556744	ZUHPLUJECBHHQT-QWHCGFSZSA-N	193.334	3.121	30	20	AGED	
CCCC(CCC)=NNCC(C)C	379406864	XJVSKJCFGUWGMC-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
C#CCCN(C(C)C)C1CCCCC1	760853711	DOJOFMLUYNUPQC-UHFFFAOYSA-N	193.334	3.053	30	20	AGED	
CC(C)C(=NOCCC1CC1)C1CC1	814246467	NWCKIYQEBGNSPQ-UHFFFAOYSA-N	195.306	3.225	30	20	AGED	
C=CCCN[C@H](C)CCCCC	70591891	ZWDLKKROQMCXKX-LLVKDONJSA-N	169.312	3.121	30	20	AGED	
CON=C1CCC[C@@H](CC(C)C)C1	308502478	XOIIHLJTRKIQDO-JTQLQIEISA-N	183.295	3.225	30	20	AGED	
CC(C)CON=CC1CCCCC1	379411574	IMDKAWKNCRHYKX-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=C(C)CSc1cccc(OC)c1	379418660	WLIQJCMERXCSKD-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
CCON=CCC1CCCCCC1	388362315	TYXREQGCBVTZDV-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C[C@H](CCC#N)SCC(C)(C)C	393326680	RQLAINCOONNAAI-SECBINFHSA-N	185.336	3.458	30	20	AGED	
C1CC(ON=C2CC[C@H]2C2CCC2)C1	814937024	RDCYBTKUQURXBZ-NSHDSACASA-N	193.290	3.122	30	20	AGED	
C=C(CC)CN[C@H]1CCC[C@@H](C)C1	85057365	LHEQEGYZZVGHNM-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1sccc1C	157248499	NMNFCAAEKPSCTQ-UWVGGRQHSA-N	195.331	3.282	30	20	AGED	
C=C(C)CN[C@H]1CCC[C@H](C(C)C)C1	230998748	NEAYADNCJQVRME-STQMWFEESA-N	195.350	3.367	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CC[C@H](C)C1	307096257	HJOIBPUYFJFNJI-GARJFASQSA-N	168.280	3.038	30	20	AGED	
CCC[C@@H](CC)SCCC#N	307884015	SQTGATJEURLQAW-SECBINFHSA-N	171.309	3.212	30	20	AGED	
CCC(CC)=NN1CCCC[C@@H]1C	853379038	LYDAWORKMBIADE-JTQLQIEISA-N	182.311	3.037	30	20	AGED	
CC#CCSc1ccc(F)cc1F	306926951	RSJOFOHUPSPIAW-UHFFFAOYSA-N	198.237	3.080	30	20	AGED	
CC[C@H](C)NN=C(C)CCC=C(C)C	790190445	VPHDLVXPESNSTF-NSHDSACASA-N	196.338	3.497	30	20	AGED	
C=CCCOC(=O)[C@](C)(CC)CCC	796327575	TVOIIYPPUSEDFD-GFCCVEGCSA-N	198.306	3.322	30	20	AGED	
C=CCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	35439033	NUKLOZQNJQRSBK-RWMBFGLXSA-N	195.350	3.223	30	20	AGED	
C=CCCN[C@H]1CCCC[C@H]1C(C)C	126077345	UFVGEWNFIBQKQD-STQMWFEESA-N	195.350	3.367	30	20	AGED	
C=C(Cl)CN[C@H]1CCCC12CCC2	307202735	CVFBYTWXCUKEJR-JTQLQIEISA-N	199.725	3.051	30	20	AGED	
Cc1cccc(NN=C[C@@H]2C[C@H]2C)c1	758360699	YZZDUGACZNQQSD-MNOVXSKESA-N	188.274	3.049	30	20	AGED	
C=C(C)CON=C1CCC2(CC1)CC2	844618198	LGGRMALFDFTCCV-UHFFFAOYSA-N	193.290	3.289	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@H]1C(C)C	844622171	VXUNFTZZSAAPIH-MNOVXSKESA-N	195.306	3.390	30	20	AGED	
N#Cc1ccccc1-c1ccccc1F	1258431	XFQKBLLWMIEWET-UHFFFAOYSA-N	197.212	3.364	30	20	AGED	
C=CCCNc1cccc(F)c1C	70592087	KWDWDMOMVFDDGT-UHFFFAOYSA-N	179.238	3.122	30	20	AGED	
C=CCCN[C@@H](C)c1cccc(C)c1	88162292	CRMAPWSZEMUUOD-LBPRGKRZSA-N	189.302	3.222	30	20	AGED	
C=CC[C@H](C)NC1CCCCCC1	124238122	VPJYDEXAWHFWHS-NSHDSACASA-N	181.323	3.263	30	20	AGED	
C=C(C)CSc1nc(C)cs1	306387848	PUOAGHWLWVEZIF-UHFFFAOYSA-N	185.317	3.120	30	20	AGED	
CC#CCSc1ccccc1C	306507588	YJJZGFNQKWXKBM-UHFFFAOYSA-N	176.284	3.110	30	20	AGED	
C=CCCCCCN(C)[C@H](C)CC	379390328	NPWUDXVFOCGIOH-GFCCVEGCSA-N	183.339	3.463	30	20	AGED	
CC(C)CSc1ccc(C#N)cc1	26516456	OVKNAFXKFRUYLW-UHFFFAOYSA-N	191.299	3.306	30	20	AGED	
C=C(C)CN[C@H](C)c1ccc(C)cc1	51753529	OCOVGQYORXAVIK-GFCCVEGCSA-N	189.302	3.222	30	20	AGED	
C=C(CC)CSCCCCOC	307956638	RSIWVPNKIIEVML-UHFFFAOYSA-N	188.336	3.112	30	20	AGED	
CC(C)CON=C[C@@H]1CC[C@@H](C)C1	308170810	ZLHKLWNRIKWKMD-GHMZBOCLSA-N	183.295	3.081	30	20	AGED	
C=CCCN1CCC(CC)(CC)C1	308218453	KEBQYGWFOJHOES-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCN[C@@H]1CCC[C@@H]1CCCC	308229164	NZRCXLULFAQVRP-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CCCN1CCC(C)(CC)CC1	308501172	WVBCAAWVTONRJG-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
CC(C)C[C@H](C)C=NOCC1CC1	388283487	OHDYPONPPUDXCE-JTQLQIEISA-N	183.295	3.081	30	20	AGED	
CC(C)C(=NOC(C)(C)C)C1CC1	393706813	WJWYNMADGCEECE-UHFFFAOYSA-N	183.295	3.224	30	20	AGED	
C[C@H]1CCCC[C@H]1CSCCC#N	594904031	ZXXUTESGGHDHFL-QWRGUYRKSA-N	197.347	3.460	30	20	AGED	
N#CC1(c2cc(F)cc(Cl)c2)CC1	95642957	VZUIWRHEJCDZGE-UHFFFAOYSA-N	195.624	3.034	30	20	AGED	
C[C@H]1C[C@@H](C2(C=O)CC2)CC[C@H]1C	307407734	OAQSCTBVMQFYFP-VWYCJHECSA-N	180.291	3.038	30	20	AGED	
C=CCCC[C@H](C)N[C@@H](C)C1CC1	308278047	VYNQUCFVZRECSY-QWRGUYRKSA-N	181.323	3.119	30	20	AGED	
C#C[C@H](N[C@@H](CC)C(C)C)C(C)(C)C	379650124	DLJIXKFRZLQLJP-RYUDHWBXSA-N	195.350	3.059	30	20	AGED	
C=CCC[C@H](C)Nc1cc(C)ccn1	134940696	JOWJGHZQPHMACB-NSHDSACASA-N	190.290	3.157	30	20	AGED	
C=CCCCON=Cc1cccs1	308329678	JRQXEQBGJRJMRX-UHFFFAOYSA-N	195.287	3.065	30	20	AGED	
C=CC[C@H](C)N[C@H]1CC=C(C)CC1	646140432	VZWJWKOECCKCBT-RYUDHWBXSA-N	179.307	3.039	30	20	AGED	
CC(CC1CC1)=NN[C@@H](C)C(C)(C)C	793115324	MAAZRMGNEPGXRX-JTQLQIEISA-N	196.338	3.187	30	20	AGED	
C=CCON=C1CCCCC1(C)C	835015670	MRMLQDXEUVXGLF-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CCCCOC(=O)CCCCC	32214601	KYVZSXSMBHODIC-UHFFFAOYSA-N	184.279	3.076	30	20	AGED	
CC[C@H](CC#N)N[C@H](C)CCC(C)C	54183213	QLSAQSHRPKEAEG-VXGBXAGGSA-N	196.338	3.093	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CCC[C@H]1C	308307591	PECATXKRSBFUHZ-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=CCC[C@@H](C)NCC1=CCCCC1	379587465	LZWJNRKBMBQHIQ-GFCCVEGCSA-N	193.334	3.431	30	20	AGED	
C=CCCNC[C@H]1C(C)=CCC[C@H]1C	657583106	ZTAZIFQDIAKWKD-OLZOCXBDSA-N	193.334	3.145	30	20	AGED	
C=CCON=C(C)CCC(C)C	835011967	OMYGEPJXTSNEHD-UHFFFAOYSA-N	169.268	3.001	30	20	AGED	
CCCCC=NN1CCCC[C@@H]1C	853380689	VROCJKDSVQIIDA-NSHDSACASA-N	182.311	3.037	30	20	AGED	
C=CCC[C@H](NCC)c1ccccc1	70594394	QOBXUZJCZFLHBH-ZDUSSCGKSA-N	189.302	3.303	30	20	AGED	
C=C(C)CNc1cc(F)ccc1Cl	219561549	LKLOWCXXJAWXIE-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
[N-]=[N+]=Nc1cc(F)ccc1Cl	231832214	VMRHOCDNMVXBPW-UHFFFAOYSA-N	171.562	3.421	30	20	AGED	
C=C(CC)CN[C@@H]1CC[C@@H](C)C[C@H]1C	251228925	PRXWTRPWAYZXMX-JHJVBQTASA-N	195.350	3.367	30	20	AGED	
C[C@H]1CC[C@](C=O)(C[Si](C)(C)C)C1	306411893	PJPFTIUGAPPULS-QWRGUYRKSA-N	198.382	3.330	30	20	AGED	
C=CCCCN1C[C@@H](C)C[C@@H]1CC	308376515	SKNOUSRCZRBBQA-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCCCN(C)[C@@H]1CCCC[C@H]1C	605149748	JIZUCKPJJQKWQM-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=CCCCC(=O)OCCC(C)(C)C	748233887	KTZVZKWFQNEOOD-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
CC(C)CSCC1(CC#N)CC1	83862441	MAYOJSNVXTVTMC-UHFFFAOYSA-N	183.320	3.069	30	20	AGED	
C[C@H]1CC(C)(C)CC[C@H]1S	88132158	ZLNZYASRNJONIF-JGVFFNPUSA-N	158.310	3.131	30	20	AGED	
C=CCC[C@H](C)NC[C@@H]1CC=CCC1	126795321	DGQBSMJZCMJUMV-QWHCGFSZSA-N	193.334	3.287	30	20	AGED	
C=CC(C)(C)CNc1cccc(C)n1	307433743	LDAYMXFXHJCOSC-UHFFFAOYSA-N	190.290	3.014	30	20	AGED	
CCCC[C@@H](C)[C@@H](C)NCCCC#N	308566267	ATOGGHJYNWWTPH-VXGBXAGGSA-N	196.338	3.095	30	20	AGED	
C=CCCN1CCCC[C@@H]1CCC	379391940	QUOAEZHGPITAOG-LBPRGKRZSA-N	181.323	3.217	30	20	AGED	
CCN(CCCCC#N)CC(C)(C)C	389297106	KMMFUJVEQZKUNW-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CCCCN1CCC[C@@](C)(CC)C1	608508102	ZAWHJIVLAURMAW-CYBMUJFWSA-N	195.350	3.465	30	20	AGED	
C=C(CC)Cn1cc(C2CCC2)cn1	655690875	MPDKYBRJUCIVBX-UHFFFAOYSA-N	190.290	3.117	30	20	AGED	
C[C@@H]1CC(=NOCC2CC2)C[C@@H](C)C1	814244561	ZURYWNAVGZLPMV-UWVGGRQHSA-N	195.306	3.225	30	20	AGED	
C=CC(C)(C)c1nnc([C@H](C)CC)o1	1118430079	LQCNGPKZHBFYGC-MRVPVSSYSA-N	194.278	3.047	30	20	AGED	
C#Cc1cccc(NC2CCCCC2)c1	19877015	IEUNAYMAZUCWIW-UHFFFAOYSA-N	199.297	3.413	30	20	AGED	
C=CCCCOc1cccnc1Cl	83119368	IVPIFCPGYMBRSR-UHFFFAOYSA-N	197.665	3.080	30	20	AGED	
C#Cc1cccc(N[C@@H](C)CCC=C)c1	131909883	JGIUWIDOZXKFNR-LBPRGKRZSA-N	199.297	3.435	30	20	AGED	
C=CC[C@H](CC)NCc1ccc(C)o1	308616986	SABJBJKKOLOZKF-NSHDSACASA-N	193.290	3.032	30	20	AGED	
C=CCOCCSC(CC)CC	378873686	UYRQTCFJDHRCGF-UHFFFAOYSA-N	188.336	3.111	30	20	AGED	
C=CCCCCN[C@@H](C)c1ccco1	379512388	ZMOMSLQSWHWUOI-NSHDSACASA-N	193.290	3.287	30	20	AGED	
C=C[C@H](C)ON=C1CCCC1(C)C	844621990	RKMVRRINCTUCRR-VIFPVBQESA-N	181.279	3.144	30	20	AGED	
C#CCCSc1ccccc1C	82496870	QQVFNWYCXHIYHL-UHFFFAOYSA-N	176.284	3.110	30	20	AGED	
C=CCC[C@H](C)Nc1cnccc1C	96034340	IBHIUYYZHSWLGS-NSHDSACASA-N	190.290	3.157	30	20	AGED	
CSCCC1(C#N)CCCCC1	131642450	OIRYCNRYDSGOED-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CCCCCCN(C)CCC=C	388746702	ZGQRDYBOKOZVMC-UHFFFAOYSA-N	181.323	3.241	30	20	AGED	
C#C[C@H](N[C@@H](C)[C@@H](C)CC)C(C)(C)C	389346067	LTURTPWYVFDEGB-SRVKXCTJSA-N	195.350	3.059	30	20	AGED	
CCCC[C@@H](CCC)CNCCC#N	591749339	UNKZSNLNQIFUQV-GFCCVEGCSA-N	196.338	3.096	30	20	AGED	
C=CCCCN(C)[C@H]1CCC[C@H](C)C1	605149949	UNDDFHXZNCODBL-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=CCCN[C@@H](C)CCCCC	70591892	ZWDLKKROQMCXKX-NSHDSACASA-N	169.312	3.121	30	20	AGED	
C=C(CC)CN[C@@H](C)c1ccsc1	85058461	XDEGZRDGNCTXCM-JTQLQIEISA-N	195.331	3.365	30	20	AGED	
C=C(C)CCN[C@@H]1CCC[C@@H](C)C1	168956299	OXSTXVHHASGUQN-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
C=CCSC[C@H]1CC1(Cl)Cl	306926254	POGHDBOCANYMAZ-ZCFIWIBFSA-N	197.130	3.099	30	20	AGED	
C=C(Cl)CN[C@@H]1CCCC12CCC2	307202736	CVFBYTWXCUKEJR-SNVBAGLBSA-N	199.725	3.051	30	20	AGED	
C=C(C)CSCC1CCCC1	307568539	TXWRFKUMASHHBI-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
C=CCON=CC1CCC(C)(C)CC1	835013892	ZSLZTWVEDGFTFD-UHFFFAOYSA-N	195.306	3.391	30	20	AGED	
CCCON=C[C@@H](C)CC(C)C	842551733	UCYGSKYGPMUKOU-JTQLQIEISA-N	171.284	3.081	30	20	AGED	
C=C(Cl)CN1CCC[C@@H]1CCC	1176782702	MPTNMGKASBEUMH-JTQLQIEISA-N	187.714	3.003	30	20	AGED	
C=CCCCSCc1nccs1	307961514	LVAPQTKOBMHNDW-UHFFFAOYSA-N	199.344	3.343	30	20	AGED	
C=CC[C@H](CC)N[C@@H]1CC[C@H](C)C1	308298729	KZMZSFSNVKOVAI-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=CCCC(CC)=NOC1CCC1	308306854	OXXLZIXKMFHEJW-UHFFFAOYSA-N	181.279	3.288	30	20	AGED	
CCC[C@H](C)[C@@H](CC)NCCCC#N	308752551	UXQVJZQCRMDUCC-NWDGAFQWSA-N	196.338	3.095	30	20	AGED	
CCCON=C(CCC)CCC	221634138	ZRGKQFXIGIRUNU-UHFFFAOYSA-N	171.284	3.369	30	20	AGED	
C=CC[C@@H](CC)N[C@@H](C)c1ccoc1	308727590	HKICQIMFSDCLMD-CMPLNLGQSA-N	193.290	3.285	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCC1CC(C)C1	621739491	KCZARAPFBGBQRJ-ZFQMDJOTSA-N	195.350	3.223	30	20	AGED	
CC[C@@H](C)CC=NOC/C=C\Cl	834980132	VRICAYXTGWBYRP-IYHNZGCVSA-N	189.686	3.178	30	20	AGED	
C=C[C@@H](C)NC1CCC(C)(C)CC1	157291510	VJUZGNMTVBZWFH-SNVBAGLBSA-N	181.323	3.119	30	20	AGED	
C=C(Cl)CN(C)c1ccccc1F	306414836	PBLFVBHKRDEPEB-UHFFFAOYSA-N	199.656	3.014	30	20	AGED	
C=CCN(CCCC(C)C)C(C)C	388816403	SJMNUZLMWCUZQS-UHFFFAOYSA-N	183.339	3.319	30	20	AGED	
C=CCCCCN[C@H]1CCC[C@@H]2C[C@H]12	393435701	ULMYEZWCELKOTQ-AGIUHOORSA-N	193.334	3.121	30	20	AGED	
C=CCCN(C)C1CCC(CC)CC1	606897081	PKIAHKBZLIAIJL-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=C(C)CN1C[C@H](CC)CC[C@H]1C	661861953	YBUARBSPFAQQKU-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
CCCNN=C1CCCC[C@H]1C(C)C	764681276	FKLTXMCALYRCIC-NSHDSACASA-N	196.338	3.188	30	20	AGED	
C[C@@H](NN=C1CCCCC1)C(C)(C)C	793114492	HCVCMCRGHPZMJX-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
CCC(CC)NN=C1CCC12CCC2	799880950	WMRFVAUROMITHK-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
C=CCCN(C)C[C@@H](C)CC(C)C	308154201	QGXZTIIRLKMDGT-LBPRGKRZSA-N	183.339	3.177	30	20	AGED	
C=C(C)CS[C@H](C)c1cccnc1	308322669	ZRHSPFDEGHCYNM-SNVBAGLBSA-N	193.315	3.452	30	20	AGED	
C=CCCN[C@H](C)c1csc(C)c1	394545945	DSTXDEMZEBPIBW-SNVBAGLBSA-N	195.331	3.283	30	20	AGED	
CCCCC(C)=NNc1ccccn1	916275961	CLCAFSIBHHKEMO-UHFFFAOYSA-N	191.278	3.060	30	20	AGED	
CCCCCCCC(=O)N[C@@H](C)CC	106167026	LSSDOBQCBAEMIJ-NSHDSACASA-N	199.338	3.262	30	20	AGED	
O=CC1([C@H]2C=CCCCCC2)CC1	316998087	MWQQTIBEGWCULE-NSHDSACASA-N	178.275	3.102	30	20	AGED	
C=CCCCCn1cc(C)c(C#N)c1	591367124	NHPIKBHHFRAXTR-UHFFFAOYSA-N	188.274	3.025	30	20	AGED	
C=CCC1(NC[C@@H]2C[C@H]2C)CCCC1	668624759	BCFURNLWSCGFSN-NEPJUHHUSA-N	193.334	3.121	30	20	AGED	
CC(C)CON=C1CC(C)(C)C[C@@H]1C	766026454	VTAASICKTYABMB-JTQLQIEISA-N	197.322	3.471	30	20	AGED	
CCCNN=C1CCCC12CCCC2	814804258	HHCSMDHCUWQILB-UHFFFAOYSA-N	194.322	3.086	30	20	AGED	
CC(C)CNN=C1C[C@@H](C)CC[C@H]1C	834968027	DNIWFYXPHPMIJS-WDEREUQCSA-N	196.338	3.044	30	20	AGED	
CCCON=C(C)c1cccc(C)c1	842565644	JLJZRECBZDPSMA-UHFFFAOYSA-N	191.274	3.146	30	20	AGED	
CC[C@@H]1C[C@H]1CSCCCC#N	902580928	XLSNQTNYVWEDMI-ZJUUUORDSA-N	183.320	3.069	30	20	AGED	
CC[C@H](C)C[C@H](S)CC	20476608	PEJZBJJDCQBUDH-JGVFFNPUSA-N	146.299	3.131	30	20	AGED	
C=CCC[C@@H](C)Nc1ccc(C)cn1	134940864	KCFCFRRGOCRTSO-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
CCC(=NOC[C@H](C)CC)C(C)C	308309144	QBUALOJSQPVYKK-SNVBAGLBSA-N	185.311	3.471	30	20	AGED	
C#C[C@H](NCC(CC)CC)C(C)(C)C	308618949	SMMGCQZVHRRSIF-LBPRGKRZSA-N	195.350	3.060	30	20	AGED	
C=C(C)CN1[C@H]2CCCC[C@H]2C[C@H]1C	605421712	WIOXXLISLVOWST-AGIUHOORSA-N	193.334	3.216	30	20	AGED	
C=CCON=C1[C@H]2CCC[C@H]2C1(C)C	853355148	ILDBQBLVNGUFHH-VHSXEESVSA-N	193.290	3.001	30	20	AGED	
C#Cc1cccc(NCCC(C)C)c1	19876846	CBTSEUYZXWZKEE-UHFFFAOYSA-N	187.286	3.126	30	20	AGED	
CCON=C(CC)C[C@H](C)CC	393340396	ZHKDXEJSSHUIBY-SECBINFHSA-N	171.284	3.225	30	20	AGED	
C=CCCOC(=O)[C@@H](CCC)C(C)C	763857617	RWFRBOLBYHRVKT-NSHDSACASA-N	198.306	3.178	30	20	AGED	
C=CCCCCCN1CC[C@H](CF)C1	880298648	GVXFPJSLPNKCNS-GFCCVEGCSA-N	199.313	3.024	30	20	AGED	
C=C(C)COC(=O)CCC1CCCC1	916587807	DXMALQNZTWYOSI-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
CCC(=NOC(C)(C)C)[C@H]1C[C@H]1C	1327461964	WSZZETFGKSWTQA-BDAKNGLRSA-N	183.295	3.224	30	20	AGED	
C#CCSc1cc(C)ccc1C	41634743	JDGIBCOUIWUCGZ-UHFFFAOYSA-N	176.284	3.029	30	20	AGED	
C=C(C)CN[C@@H](C)c1ccc(C)s1	51753491	SWMQJYLSSNVCKP-JTQLQIEISA-N	195.331	3.283	30	20	AGED	
C=C(C)CNc1c(F)cccc1Cl	135248100	QSXASGXJIVRRRM-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCC[C@H](C)NC[C@H]1CCC[C@@H]1C	230651358	ABNBOQAFVRHCSI-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](CC)N[C@@H](CC)CC#N	388817103	HPAYJLLAZSLQCH-NEPJUHHUSA-N	194.322	3.013	30	20	AGED	
C=C[C@@H]1CCCCN1CC1=CCCC1	645894003	SKNMAFVUYKMQCO-CYBMUJFWSA-N	191.318	3.137	30	20	AGED	
Cc1ccccc1C=NOCC(C)C	754280555	WAVKCJXOQLJZSS-UHFFFAOYSA-N	191.274	3.002	30	20	AGED	
CCC(C)=NN[C@H]1CCCCC1(C)C	773124021	IJRHWYDODCAXEK-NSHDSACASA-N	196.338	3.331	30	20	AGED	
C=C(C)CON=C1CCCC[C@@H]1C	844615403	QLBDUOUGKRYIFD-JTQLQIEISA-N	181.279	3.145	30	20	AGED	
C[C@H]1CCCCC1=NOCC1CCC1	853440097	SOJJBZWIDHXHPO-JTQLQIEISA-N	195.306	3.369	30	20	AGED	
CCCC(CC)=NOCC(F)(F)F	308362041	MKSRUUZYMRRLGG-UHFFFAOYSA-N	197.200	3.131	30	20	AGED	
C=CCCCN1CCC[C@H]1CC(C)C	605150268	WLAZIRALGAMFMJ-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
C=CCC[C@@H](NCC(=C)CC)C1CC1	651473191	OSVRWDCNLCZRIW-CYBMUJFWSA-N	193.334	3.287	30	20	AGED	
C=CC[C@H]1CCCN(C2CCCC2)C1	661381919	QCJZCJADGYLPLE-LBPRGKRZSA-N	193.334	3.217	30	20	AGED	
CC[C@H](C)NN=C1CCCC[C@@H]1CC	790182618	LCIGDGRFOPYJEN-QWRGUYRKSA-N	196.338	3.331	30	20	AGED	
CC(C)ON=C1CCCCC[C@H]1C	844601742	UPBSHLOYRRFMNS-SNVBAGLBSA-N	183.295	3.368	30	20	AGED	
C=C(CC)CN[C@H]1CCC(C)(C)C1	128979292	CAOAQZIRUHZOPO-NSHDSACASA-N	181.323	3.121	30	20	AGED	
N#Cc1ccc(SC2CCC2)cc1	306399809	KLGZVLSIAXBQLR-UHFFFAOYSA-N	189.283	3.203	30	20	AGED	
C[C@H](C#N)SCC1CCCCC1	306448089	VOTSKPDQRYGTIM-SECBINFHSA-N	183.320	3.212	30	20	AGED	
CC(C)(C)CC=NOC/C=C\Cl	307970482	WXOUZNFRBLDBNM-PFLWOJAJSA-N	189.686	3.178	30	20	AGED	
C=CCCCN1[C@H](C)CCC[C@H]1C	308314368	UHPJIYIKWFDKHW-VXGBXAGGSA-N	181.323	3.216	30	20	AGED	
C=CCCS[C@@H](C)c1ncc(C)o1	308316287	VQTBUMYWEIBAFR-VIFPVBQESA-N	197.303	3.353	30	20	AGED	
C=C(C)CSCc1nc(C)cs1	379319383	QFZCSNIMMYKXHW-UHFFFAOYSA-N	199.344	3.261	30	20	AGED	
C=CCCN(C)Cc1ccc(C)s1	379385391	SROYKRJITQDKEJ-UHFFFAOYSA-N	195.331	3.064	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCCC12CCC2	394783909	JDNSNQKEXGMXSG-NWDGAFQWSA-N	193.334	3.263	30	20	AGED	
CCON=C(CC)Cc1ccccc1	767464887	SSYIWGIPVDDAEO-UHFFFAOYSA-N	191.274	3.032	30	20	AGED	
CCCC=NNc1ccc(F)cc1F	864350529	JGBUALWWMYETBK-UHFFFAOYSA-N	198.216	3.163	30	20	AGED	
CC1CCC(C(C)(C)C=O)CC1	166523478	BVBNVDABCQMKLV-UHFFFAOYSA-N	168.280	3.038	30	20	AGED	
CC#CCCSc1ccc(F)cc1	307514715	RRDVZOGCNGFATE-UHFFFAOYSA-N	194.274	3.331	30	20	AGED	
C=CCCN1CCC[C@@H]1[C@@H](C)CCC	676041897	PLOOOMILSSPZMV-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
CCC(=NNC(CC)CC)[C@H]1C[C@@H]1C	841625730	JVWAZFAPORNURU-ONGXEEELSA-N	196.338	3.187	30	20	AGED	
C=C(CC)CN[C@H]1CCCC[C@@H]1C	85057135	AQNBHJDSGTZOKG-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
CCON=C1CC[C@@H](C)C[C@H]1CC	308202083	ZFXAHJPWAIIPFY-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
C=C(C)c1cccc(CNC(C)C)c1	629730113	RVXHEWQXPPLSQR-UHFFFAOYSA-N	189.302	3.218	30	20	AGED	
C=C[C@@H](C)ON=C1CCC[C@@H]1CCF	844626231	RZNUZUQSZKBWQL-NXEZZACHSA-N	199.269	3.093	30	20	AGED	
CCC(C)(C)N(C)CCC(C)(C)C#N	83640553	STRUKINTHRRYQC-UHFFFAOYSA-N	196.338	3.047	30	20	AGED	
C[C@H](SCC#N)c1cccs1	306445168	PXYFJRHGJOLEOH-ZETCQYMHSA-N	183.301	3.066	30	20	AGED	
C=C(C)CSCc1ncc(C)s1	379319919	SZCQKERAOOAISP-UHFFFAOYSA-N	199.344	3.261	30	20	AGED	
CCON=C/C(C)=C/c1ccccc1	767462965	KUYKXJDTELSOFP-DTUCTPGWSA-N	189.258	3.112	30	20	AGED	
C=CCON=C1C[C@H](C)CC[C@H]1C	835014611	JRVUXSRMDMSIHI-NXEZZACHSA-N	181.279	3.001	30	20	AGED	
C=CCCCCN(CC)C(C)(C)C	1117803881	IRISJOYLTPMOHO-UHFFFAOYSA-N	183.339	3.463	30	20	AGED	
C=CCC[C@H](O)c1ccc(Cl)cc1	70593639	YXPRUZITRUXZEF-NSHDSACASA-N	196.677	3.340	30	20	AGED	
CC(C)(C=O)[C@H]1C=CCCCCC1	316500056	VLZVGJSVQMOKBP-NSHDSACASA-N	180.291	3.348	30	20	AGED	
C=CCCCCSCC=C	591384551	OZBFXEKGKRYGGY-UHFFFAOYSA-N	156.294	3.262	30	20	AGED	
C#CCON=C(C)C[C@@H](C)CC(C)C	812234802	WRQHHWZZOJECBL-NSHDSACASA-N	195.306	3.084	30	20	AGED	
C=C(C)CON=C(C(C)C)C1CC1	844617844	SVBOVGXCLYGXGZ-UHFFFAOYSA-N	181.279	3.001	30	20	AGED	
C=CCCCNc1ccccc1C	70591467	RFIXWKPAYAQYFX-UHFFFAOYSA-N	175.275	3.373	30	20	AGED	
C=CCCCN[C@@H]1CC[C@H](C)C[C@H]1C	70592494	LEGHYBOAHJTCBK-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
C=C(C)CN[C@@H]1CCC[C@H](CC)C1	82847674	QYUCGGJQPZGPKY-NWDGAFQWSA-N	181.323	3.121	30	20	AGED	
C=CCCSc1ncc(C(C)C)[nH]1	629221972	XTAOHIMJLBJSSY-UHFFFAOYSA-N	196.319	3.201	30	20	AGED	
C=CCCC(=O)O[C@@H]1CCC(C)(C)C1	820331710	PEJFMRIFTPGYNW-SNVBAGLBSA-N	196.290	3.075	30	20	AGED	
C#C[C@H](CC)N[C@@H](C)CCC=C(C)C	379600937	LHJMPSMRYRLKPQ-QWHCGFSZSA-N	193.334	3.123	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1csc(C)c1	381671581	BZZMEBARLCOWPH-SCZZXKLOSA-N	195.331	3.282	30	20	AGED	
C=CC(C)(C)CN[C@@H]1CCCC[C@H]1C	385073739	XAYYFDSBEAKKDB-VXGBXAGGSA-N	195.350	3.367	30	20	AGED	
C=CCCOc1ccc2c(c1)CCC2	607148506	ZIJGYVJUQQCTHU-UHFFFAOYSA-N	188.270	3.130	30	20	AGED	
CC[C@H](C)NN=C1CC[C@@H](C)[C@@H](C)C1	790182025	HPVOZGFRWWMNNL-VWYCJHECSA-N	196.338	3.187	30	20	AGED	
CC1=CCC[C@H](C)[C@H]1C=NOC(C)C	835002112	JNTCAFMBAURZJN-RYUDHWBXSA-N	195.306	3.390	30	20	AGED	
CCC(=NN[C@@H](C)CC)[C@@H]1CC1(C)C	841636332	BKFUXOJDEZCLKV-UWVGGRQHSA-N	196.338	3.187	30	20	AGED	
CCCON=C(C)c1ccc(C)s1	842565851	OEOKWDAUXNHWIS-UHFFFAOYSA-N	197.303	3.207	30	20	AGED	
C=CC[C@@H](C)N[C@@H]1CCCC1(C)C	161690607	GGSYDTAFMDSXNB-GHMZBOCLSA-N	181.323	3.119	30	20	AGED	
CC(C)=CC[C@@]1(C=O)CCC[C@H]1C	306336965	UQNYYJFBLOWZHX-VXGBXAGGSA-N	180.291	3.348	30	20	AGED	
C=C(C)c1ccc([C@H]2CCCN2)cc1	629729911	JPXAFJAYNHKCPC-CYBMUJFWSA-N	187.286	3.144	30	20	AGED	
C=CCCCN1[C@@H](C)CCC1(C)C	650287039	NAGSFWZTIVKMLU-NSHDSACASA-N	181.323	3.216	30	20	AGED	
C=CCCC(CC)=NNC(CC)CC	734366259	KLQABYICHAPQEP-UHFFFAOYSA-N	196.338	3.497	30	20	AGED	
CCC(CC)NN=C1CCCC1(C)C	749858921	LHAQIKLMSOJDFO-UHFFFAOYSA-N	196.338	3.331	30	20	AGED	
CCCCCCCOC(=O)[C@@H]1C[C@H]1C	786375071	SYHHFYBDBOYQGU-GHMZBOCLSA-N	198.306	3.156	30	20	AGED	
CC(=NOC(C)C)c1sccc1C	835000168	KRCMEENVLJZXIC-UHFFFAOYSA-N	197.303	3.206	30	20	AGED	
CC#CCSc1ccc(C)cc1	6820226	KVXFWGBVRAJEDC-UHFFFAOYSA-N	176.284	3.110	30	20	AGED	
C=CC[C@@H](C)NC1CCCCCC1	124238386	VPJYDEXAWHFWHS-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=C(Cl)CN[C@H](CC)CCCC	161740661	SRBIBXIECRZOQY-SNVBAGLBSA-N	189.730	3.297	30	20	AGED	
C1=CC[C@@H](C=NOC2CCCC2)CC1	774603132	NLYDOEIJYYIHTF-LLVKDONJSA-N	193.290	3.288	30	20	AGED	
C=C(C)COc1cnc2ccccc2c1	228036244	SZEDRALNQXBINK-UHFFFAOYSA-N	199.253	3.190	30	20	AGED	
CCCCCC=NOC1CCC1	379314131	LMDXHMKQJQJZTF-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C=CC1CCN(C/C=C(\C)Cl)CC1	528382937	VBQSOBLUSIYUTM-ONNFQVAWSA-N	199.725	3.027	30	20	AGED	
C=C(C)CN1CCC[C@H](C(C)C)CC1	604055217	VLFDOEMMPJVNEX-ZDUSSCGKSA-N	195.350	3.321	30	20	AGED	
C=C(C)CN1CCC[C@@H](C)[C@@H]1CCC	608566553	MAJZTTOJSRNLMN-OLZOCXBDSA-N	195.350	3.463	30	20	AGED	
C=CCC1(NC[C@H]2C[C@H]2C)CCCC1	668624764	BCFURNLWSCGFSN-VXGBXAGGSA-N	193.334	3.121	30	20	AGED	
C=CC[C@@H]1CCCN(C/C=C/Cl)C1	852410192	JMOFGJONEUZOIU-TZOMUSMUSA-N	199.725	3.027	30	20	AGED	
CC(=NOC(C)(C)C)c1ccc(C)o1	1324558225	KUWZEATXFSLCKM-UHFFFAOYSA-N	195.262	3.127	30	20	AGED	
C=C(C)CCN[C@@H](C)c1ccc(C)o1	168060390	IXNRDEBRDPDPMY-NSHDSACASA-N	193.290	3.205	30	20	AGED	
CCCN(CCCCC#N)CC(C)C	379541378	PZJGHZSFZQUCRZ-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=C(Cl)CN(CC)C(CC)CC	393348872	OIKBMEQUWZCNAT-UHFFFAOYSA-N	189.730	3.249	30	20	AGED	
C=CCC[C@H](CC)NC/C=C/CC	648716752	SJZKJCNETDJVQD-CRALRDPISA-N	181.323	3.287	30	20	AGED	
C=CCN(CC1CC1)c1ccccc1	674505505	KHABMLHDYUGLCZ-UHFFFAOYSA-N	187.286	3.089	30	20	AGED	
C=CCCCOC(=O)CCC(C)(C)C	738800863	XOYKCDQMPZRCMX-UHFFFAOYSA-N	198.306	3.322	30	20	AGED	
CC#CCNc1cc(C)ccc1Cl	224838606	LBMGPZZWQXBDGQ-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCCCN1CCC[C@@H]1C(C)(C)C	605150733	URJWQFKFNVQLEE-GFCCVEGCSA-N	195.350	3.463	30	20	AGED	
C=C(C)CN1CCC[C@H]1C1CCCC1	615352965	MBAILYQSVGYXKG-ZDUSSCGKSA-N	193.334	3.217	30	20	AGED	
CC#CCN1CCC[C@H]1CCCCC	676041902	PVHWBCULQRLIRL-CYBMUJFWSA-N	193.334	3.054	30	20	AGED	
C[C@@H]1CCCCCC1=NOCC1CC1	844599009	ZAINNJVXNHIWJC-SNVBAGLBSA-N	195.306	3.369	30	20	AGED	
C[C@@H]1CCC[C@@](C=O)(CC(F)F)C1	306468182	NLPQMGUHTXYKEC-SCZZXKLOSA-N	190.233	3.037	30	20	AGED	
CC[C@@H]1CC[C@](C=O)(C(C)C)C1	306595202	UAXGLTPFTUHOIL-MNOVXSKESA-N	168.280	3.038	30	20	AGED	
CCCCCCCSCCOC	307976993	MAIBOCBZOSZRNP-UHFFFAOYSA-N	190.352	3.336	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC[C@@H]1CC1(C)C	308685280	ZDJBPLQFKWGDAQ-SRVKXCTJSA-N	195.350	3.223	30	20	AGED	
C=CCC[C@@H](CC)NC/C=C/C1CC1	378862875	UMNYPZHIYVBVIJ-KTRBRXNASA-N	193.334	3.287	30	20	AGED	
C=C(C)CN(C)[C@H](C)CCCC	379316444	YXSUZQWCAKQJJA-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
C=CCCN(c1ccccc1)C1CC1	832156766	OGFQOJPSZQYHKX-UHFFFAOYSA-N	187.286	3.232	30	20	AGED	
C=CCC[C@@H](C)NC(CC)CC	126703786	VGMQMKRBCOQUOC-SNVBAGLBSA-N	169.312	3.119	30	20	AGED	
C=CCCNC1CCC(CC)CC1	70591911	HUCSBTSJZBTHFV-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
O=CC1(CC(F)(F)F)CCCCC1	257827569	HXJMUSSDYHZYHS-UHFFFAOYSA-N	194.196	3.088	30	20	AGED	
CC(C)[C@H](C)C1(C=O)CCCC1	306319404	ABZZEBNRRZBSJI-JTQLQIEISA-N	168.280	3.038	30	20	AGED	
C=CCN(CC(C)C)CC(C)(C)C	308154203	QGYZOUDFZNAGTF-UHFFFAOYSA-N	183.339	3.177	30	20	AGED	
C=C(CC)CN(CC)CC(C)(C)C	308232182	PJEKMOKGMIZKCC-UHFFFAOYSA-N	183.339	3.321	30	20	AGED	
C#C[C@H](N[C@@H](C)[C@H](C)CC)C(C)(C)C	389346094	LTURTPWYVFDEGB-WOPDTQHZSA-N	195.350	3.059	30	20	AGED	
C=CCC[C@H](N[C@@H]1C=CCC1)C1CC1	850511132	ZSGLLWCUZZMQEN-OLZOCXBDSA-N	191.318	3.039	30	20	AGED	
CC1CC(CSCCCC#N)C1	901884765	WXRAOXMNSKXWIV-UHFFFAOYSA-N	183.320	3.069	30	20	AGED	
CCc1ccc([C@H](C)S)s1	41062346	MXFPNVZDDWXDHD-LURJTMIESA-N	172.318	3.301	30	20	AGED	
C=CC[C@@]1(O)C[C@H](C)CC(C)(C)C1	78675703	KZFXQYPCFAVZPH-ZYHUDNBSSA-N	182.307	3.140	30	20	AGED	
C=C[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C	157302977	ZEQPLMIUBRWZOU-WOPDTQHZSA-N	195.350	3.365	30	20	AGED	
CC(C)C[C@]1(C=O)CC[C@@H](C)C1	306195656	IWGKTLGZKZGGLS-GHMZBOCLSA-N	168.280	3.038	30	20	AGED	
CC#CCOc1c(C)cccc1Cl	306420216	YYHAQJHMLSAWNY-UHFFFAOYSA-N	194.661	3.051	30	20	AGED	
CC(C)[C@H](C)[C@]1(C=O)CC[C@@H](C)C1	306531177	FDPLHJBMIBYWLK-GRYCIOLGSA-N	182.307	3.284	30	20	AGED	
C=C(C)CCN1C[C@@H](C)C[C@@H]1CC	388589463	KSHFOFKZBJYVFV-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CC[C@@H]1CCCN(CCC2CC2)C1	661381283	ZDTCKOQHFXNQLX-CYBMUJFWSA-N	193.334	3.075	30	20	AGED	
C=CCC1(NCCCCF)CCCC1	661851129	QCKPFDPGANJQER-UHFFFAOYSA-N	199.313	3.215	30	20	AGED	
CC[C@H](C)NN=C1CCC[C@@H](C)[C@H]1C	790183868	WLAUKHFFEHEQAT-OUAUKWLOSA-N	196.338	3.187	30	20	AGED	
CC[C@@H](C)NN=C1CCCCCCC1	790191286	YICUWKBGEQWIRS-LLVKDONJSA-N	196.338	3.475	30	20	AGED	
C=C(CC)CNc1cccc(F)c1	85057097	QKAJVFMBIFLESR-UHFFFAOYSA-N	179.238	3.204	30	20	AGED	
C=C(CC)COc1ccccc1	85071466	RPZHLIXAUZEUBJ-UHFFFAOYSA-N	162.232	3.032	30	20	AGED	
C=CCCNc1cc(F)ccc1Cl	226151021	XRLNGIMTNGDPEM-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCCCN(C)Cc1cccs1	379401115	KCEWEOLDGURNLI-UHFFFAOYSA-N	195.331	3.146	30	20	AGED	
CCON=C1CCC(C)(C)C[C@@H]1C	388222968	IZZUJRWKJCBRBX-VIFPVBQESA-N	183.295	3.225	30	20	AGED	
C=CCC[C@H](CC)NCC1=CCCC1	658292892	OJVFZFJQDGBGNU-ZDUSSCGKSA-N	193.334	3.431	30	20	AGED	
C=C(CC)CN(C)[C@H]1CCCC[C@@H]1C	682031687	PTAIBAYPADJZLF-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=C[C@H](C)N[C@@H](C)CCCC(C)C	224559234	JJGFGRANNNWSTG-RYUDHWBXSA-N	183.339	3.365	30	20	AGED	
CC(C)(C)CSCCCCC#N	388509306	QGBQWGHZZDNUHE-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C=CCN1CCC[C@@H]1C1CCCCC1	613480405	LZYWKVVWYDRFDC-CYBMUJFWSA-N	193.334	3.217	30	20	AGED	
C=CCCCCN(CC1CC1)C(C)C	649361597	OMBHUNFRBGIXOW-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
CCON=CC[C@H](C)c1ccccc1	755627213	KOPSGRGUDQVKNQ-NSHDSACASA-N	191.274	3.203	30	20	AGED	
CC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1	70586431	OQSWCVRBDZMAJQ-AYEZCSMPSA-N	190.242	3.005	30	20	AGED	
C=CCCCNc1ccccc1OC	70591243	RPJZRVXZOFNVQN-UHFFFAOYSA-N	191.274	3.073	30	20	AGED	
C=C[C@@H](C)N[C@H](C)CCCC(C)C	224559280	JJGFGRANNNWSTG-VXGBXAGGSA-N	183.339	3.365	30	20	AGED	
C[C@H]1CC[C@@H](C=NOC(C)(C)C)C1	379395439	ZLXRJQVFZNMTBP-VHSXEESVSA-N	183.295	3.224	30	20	AGED	
CCCC(CCC)=NN[C@@H](C)CC	379398860	FXCQVKZIYUZWMT-JTQLQIEISA-N	184.327	3.331	30	20	AGED	
C=C(Cl)CNC(C(C)C)C(C)C	393353535	CKVGCSPCLHEMCN-UHFFFAOYSA-N	189.730	3.009	30	20	AGED	
C=C[C@](C)(CC)C(=O)OC[C@H](C)CC	785755105	UJYLLJIVZFBNDX-ZYHUDNBSSA-N	198.306	3.178	30	20	AGED	
C[C@H]1CCCC[C@@]1(C=O)C1CCC1	307602311	WJUQXJWPDMEMKK-JQWIXIFHSA-N	180.291	3.182	30	20	AGED	
C=C(C)CN1C[C@@H](C)CCC[C@@H]1C	307745689	SLOGUYYEAPXNOC-RYUDHWBXSA-N	181.323	3.073	30	20	AGED	
C=CCCCCNC(C1CC1)C1CC1	308460895	FMYAOBRKEGOZAM-UHFFFAOYSA-N	193.334	3.121	30	20	AGED	
N#CC1(CSCC2CCCC2)CC1	388353051	PFLVQQZKPIKNNX-UHFFFAOYSA-N	195.331	3.214	30	20	AGED	
C=C(C)CN(CC)C[C@@H]1CC=CCC1	678121246	ZRMBKFFOMKTMKJ-CYBMUJFWSA-N	193.334	3.241	30	20	AGED	
C=C(CC)CN1CCC[C@@H]1CC(C)C	678623808	MYFSCUDHHBFQKZ-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
C=C[C@@H]1CCCCN1CC/C=C\CC	683792955	IVVAFQYCQCOXPN-CFHLNLSMSA-N	193.334	3.383	30	20	AGED	
CC[C@H](C)NN=C1CC[C@@H](C)C[C@H]1C	790189522	OOAHGYCXWAXALT-MXWKQRLJSA-N	196.338	3.187	30	20	AGED	
C=C(C)CCN(CC)c1ccccc1	681408207	LNCISVFWHHTOMF-UHFFFAOYSA-N	189.302	3.479	30	20	AGED	
C=CCCCCCN1CC[C@@H](C)[C@H]1C	683782098	JXHUDBZBJLJLHY-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=CCCCCCN1C[C@@H](C)[C@H](C)C1	683783290	RYDMXHDJFOGAMU-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
C=CCON=C(C)[C@@H]1CCCC[C@@H]1C	835014566	IYCUAXSFCGMFKO-CMPLNLGQSA-N	195.306	3.391	30	20	AGED	
C=CCNc1c(C)cccc1CC	41578662	JXEINDOSJHSWCK-UHFFFAOYSA-N	175.275	3.155	30	20	AGED	
C=CCCSc1ccccc1O	70595308	CKQGPCOJWZUSIC-UHFFFAOYSA-N	180.272	3.060	30	20	AGED	
N#Cc1cccc(Cc2ccccc2)c1	83317282	GOFIMQVJGKCLGF-UHFFFAOYSA-N	193.249	3.149	30	20	AGED	
CC[C@H](C)CSCC1(CC#N)CC1	234001657	UIAPQWUPWCNUNG-JTQLQIEISA-N	197.347	3.460	30	20	AGED	
C=CCNc1ccc2ccoc2c1	307217023	FUHZNNFYQYGWKE-UHFFFAOYSA-N	173.215	3.031	30	20	AGED	
C=CCCSC[C@@H](C)CC	307417304	KQDFYGOMPPNFBQ-VIFPVBQESA-N	158.310	3.342	30	20	AGED	
CC1(C)CCC[C@H]([C@@H]2C[C@H]2C=O)C1	521401343	XLFWBVNWIBODHU-DCAQKATOSA-N	180.291	3.038	30	20	AGED	
C=C(C)CSCC1CC=CC1	596347644	MRMOUIVXGBQPMZ-UHFFFAOYSA-N	168.305	3.262	30	20	AGED	
C=C(C)CC[C@]1(C)CCC[C@@]1(C)O	306301690	LOFGSMYVRKXVJD-NWDGAFQWSA-N	182.307	3.284	30	20	AGED	
O=CC1(Cc2ccsc2)CCCC1	307114371	SVHMOHOBFHPMCI-UHFFFAOYSA-N	194.299	3.050	30	20	AGED	
C=CCS[C@@H](CC)CCC	307527141	KGABPKBNJSUSHY-VIFPVBQESA-N	158.310	3.484	30	20	AGED	
C=CC[C@@H](CC)N[C@@H](C)C1CCC1	308300339	LLHJSHMTLQLCKR-CMPLNLGQSA-N	181.323	3.119	30	20	AGED	
C=C(CC)CN1CC[C@](C)(CC)C1	308315919	VLHCQVZGWOVEKA-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
C=CC[C@@H](CC)N[C@H](CC)C1CC1	388846482	ZONCJMBFGJFCKA-VXGBXAGGSA-N	181.323	3.119	30	20	AGED	
N#C[C@H](SC1CCCCC1)C1CC1	601070451	RTJPCDATGMGKOI-NSHDSACASA-N	195.331	3.354	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CC=C(C)CC1	646140431	VZWJWKOECCKCBT-NWDGAFQWSA-N	179.307	3.039	30	20	AGED	
C=C(C)CN(CC)C[C@H]1CC=CCC1	678121247	ZRMBKFFOMKTMKJ-ZDUSSCGKSA-N	193.334	3.241	30	20	AGED	
CCCNN=C1CCC[C@H](C(C)C)C1	794494250	RRKSHJPLRTXLNC-NSHDSACASA-N	196.338	3.188	30	20	AGED	
C=C(C)c1ccc([C@@H](O)C2CC2)cc1	204367585	MRNKTGALSRCYDX-CYBMUJFWSA-N	188.270	3.163	30	20	AGED	
C=CCCCN[C@H](CC)C1CCC1	322296891	STCRHAVKSKDVHE-GFCCVEGCSA-N	181.323	3.121	30	20	AGED	
C=CCCOc1ccccc1SC	642428640	YFWMTTZWQBDEEM-UHFFFAOYSA-N	194.299	3.363	30	20	AGED	
C=C[C@@H](C)N[C@H](CC)CCCC	157288083	JPXPHFAXJVTQRE-GHMZBOCLSA-N	169.312	3.119	30	20	AGED	
C=C(Cl)CN1CCCC[C@@H]1CC	306425403	JJDKWRPWMQTVDJ-JTQLQIEISA-N	187.714	3.003	30	20	AGED	
C=C(C)CCN1C[C@H](C)CC1(C)C	307599781	QJDAFGBZVRMSKI-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=C(C)CCN1C[C@H](C)C[C@H]1CC	388589464	KSHFOFKZBJYVFV-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C[C@H](CCC#N)CNc1ccccc1	602492059	LFAWEIHKGWRYPX-LLVKDONJSA-N	188.274	3.038	30	20	AGED	
CCCCNN=C[C@@H]1CCC[C@H](C)C1	768359171	ANASVGRNRRMAKN-NWDGAFQWSA-N	196.338	3.188	30	20	AGED	
C#CCCNc1ccc(Cl)c(C)c1	848662969	AAYQIIRXNMBZOC-UHFFFAOYSA-N	193.677	3.084	30	20	AGED	
C=CCCN[C@H](C)c1cc(C)oc1C	70592136	IZTMNWVRXFCALS-SNVBAGLBSA-N	193.290	3.123	30	20	AGED	
C=CCCCCN[C@H](C)[C@H](C)CC	308164555	YSTSZSVSTGKRBP-VXGBXAGGSA-N	183.339	3.367	30	20	AGED	
C=C(C)CSCC1=CCCC1	592453755	XZYCAPMRQJIWRS-UHFFFAOYSA-N	168.305	3.406	30	20	AGED	
C=CCCN(Cc1ccco1)C(C)C	606897075	OQGNAKKUKQZLFE-UHFFFAOYSA-N	193.290	3.066	30	20	AGED	
C=CC[C@H](C)N[C@H](C)C(C)(C)CC	651263613	KCVUBEMOGMVONQ-WDEREUQCSA-N	183.339	3.365	30	20	AGED	
C=CCCCOC(=O)/C=C(\C)CCC	735532183	LBDFZIPNMSTRKU-ZHACJKMWSA-N	196.290	3.242	30	20	AGED	
C#CCCCNc1ccc(Cl)cc1	147638535	JVQVSRGIXKYTOA-UHFFFAOYSA-N	193.677	3.165	30	20	AGED	
CCC[C@@]1(C=O)CCCC[C@@H]1C	306198401	PJSLGCVQAAVHGU-QWRGUYRKSA-N	168.280	3.182	30	20	AGED	
C=C(CC)CN(CC)C1CCCC1	308227255	NLGWIKSPTVDANT-UHFFFAOYSA-N	181.323	3.217	30	20	AGED	
C#CCCCN[C@H](C)[C@@H](C)CCCC	389302155	MJRYBRKNTLMCOB-QWHCGFSZSA-N	195.350	3.204	30	20	AGED	
C=CC[C@H](C)N[C@H]1CCCC12CCC2	394784274	JDNSNQKEXGMXSG-RYUDHWBXSA-N	193.334	3.263	30	20	AGED	
C=CC1CCN(CCCCCF)CC1	671241079	KNPHHHGAYLREPJ-UHFFFAOYSA-N	199.313	3.024	30	20	AGED	
CCC(C=NNCC(CC)CC)CC	774471759	NOTIRXMWVXKZJB-UHFFFAOYSA-N	198.354	3.434	30	20	AGED	
CCC(=NN[C@@H](C)C(C)(C)C)C1CC1	793116447	SRSLGOWSCAXNIF-VIFPVBQESA-N	196.338	3.187	30	20	AGED	
CC#CCSc1ccc(Cl)cc1	6820234	RVFZBQLHTWYKLH-UHFFFAOYSA-N	196.702	3.455	30	20	AGED	
CC(C)CCSCCCC#N	58263095	JQOVQQWNHFKRTP-UHFFFAOYSA-N	171.309	3.069	30	20	AGED	
C=CCC[C@@H](C)Nc1ccc(C)nc1	96034333	UAMXLNWEEHNSIW-LLVKDONJSA-N	190.290	3.157	30	20	AGED	
C#CCCCCN[C@@H](C)CCCCC	222293535	DCJWXUHGFSBEJL-ZDUSSCGKSA-N	195.350	3.348	30	20	AGED	
C=C(C)CCN1C[C@@H](C)CC1(C)C	307599782	QJDAFGBZVRMSKI-NSHDSACASA-N	181.323	3.073	30	20	AGED	
CCC(CC)CSCC1(C#N)CC1	596381044	VQNWXDWGPNCMDE-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=C1CCN(C[C@H](C)CC(C)C)CC1	685001088	JKYWMZJWOSMQJQ-CYBMUJFWSA-N	195.350	3.321	30	20	AGED	
CC[C@H](C)NN=C[C@@H]1CCCC[C@H]1C	790182914	NJCGPPDWZZCMCI-WOPDTQHZSA-N	196.338	3.187	30	20	AGED	
CC[C@H](C)CON=C[C@H]1CC=CCC1	793159970	SHMSYHXYIRVFJJ-RYUDHWBXSA-N	195.306	3.391	30	20	AGED	
CC(C)=CC[C@@]1(C=O)CCC[C@@H]1C	306336962	UQNYYJFBLOWZHX-NWDGAFQWSA-N	180.291	3.348	30	20	AGED	
CC(CC1CCC1)=NOCC(C)C	308143750	KGRQYRIKEHMNPN-UHFFFAOYSA-N	183.295	3.225	30	20	AGED	
C=C(C)CCN1CCC(C(C)C)CC1	681404675	YVCKOBSMUYDONO-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
CC[C@H](C)NN=C1C[C@@H](C)C[C@H](C)C1	790184711	ZVOFSEFWXCJESS-DCAQKATOSA-N	196.338	3.187	30	20	AGED	
C[C@H]1CCC(=NOC2CCC2)[C@@H](C)C1	812235340	SNDLUSMKKLMLFI-UWVGGRQHSA-N	195.306	3.368	30	20	AGED	
CC[C@@H](C)CC=NOC[C@H](C)CC	834981645	VKLSTHNWBCFWFN-GHMZBOCLSA-N	185.311	3.471	30	20	AGED	
C=C(CC)CSc1ccncc1C	382163432	UEDSUHUNSLBJME-UHFFFAOYSA-N	193.315	3.448	30	20	AGED	
CCC(CC)=NNCC(CC)CC	388301326	NRLVCUVKVBKQFC-UHFFFAOYSA-N	184.327	3.188	30	20	AGED	
C=CC[C@H](CC)N[C@H]1C[C@H]2CC[C@H]1C2	394274566	BOFABNKZZDNEDR-CYDGBPFRSA-N	193.334	3.119	30	20	AGED	
C=C(CC)CN(C)[C@H]1CCC(C)(C)C1	684625302	NWJPGDFYKGFAMX-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
C#CCN(CCCCC)CCCCC	755064162	OSRZQVDSYCGQFK-UHFFFAOYSA-N	195.350	3.302	30	20	AGED	
C#CCCCCCCNC1(CC)CC1	877560452	QZGJKEBBARVVFO-UHFFFAOYSA-N	193.334	3.102	30	20	AGED	
CCC(=NOC(C)(C)C)C1CCC1	1117831400	NIGLHDNTVHVYPJ-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=CCCSCCCC	197039401	MQXKUWHOMRSWCE-UHFFFAOYSA-N	144.283	3.096	30	20	AGED	
C=C(CC)C[C@]1(C)CCC[C@]1(C)O	306404444	UBJWPGKHPUQJQD-RYUDHWBXSA-N	182.307	3.284	30	20	AGED	
CCCNN=C(CC)C[C@H](C)CC	308446026	BDLVBOFVRLSJJN-SNVBAGLBSA-N	184.327	3.188	30	20	AGED	
CC(C)CON=C[C@@H](C)C(C)(C)C	388587869	JMKIAAXIGXGVKO-SNVBAGLBSA-N	185.311	3.327	30	20	AGED	
C=CCC[C@@H](CC)NCC(=C)CC	648840287	SXZJZCTVISECGU-GFCCVEGCSA-N	181.323	3.287	30	20	AGED	
C=CCCCN1CC[C@@H](C)C[C@H](C)C1	676903748	BXVYAQGSWSJQDG-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
C=CCC[C@H](C)NCC1CCCC1	126784213	MQACAKLRFRXCKH-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C#CCCCN[C@@H](C)CCCCCC	160885374	WBPYEQVCMRACMJ-ZDUSSCGKSA-N	195.350	3.348	30	20	AGED	
C#CCCCCNC1CCCCCC1	165932050	MLIGVKZMXDZJCE-UHFFFAOYSA-N	193.334	3.102	30	20	AGED	
C#CC(C)(C)CCC(C)C	201915085	CPJCSGNJXXSWEH-UHFFFAOYSA-N	138.254	3.082	30	20	AGED	
C=CCCNc1cccc(F)c1Cl	306424598	INXKTRPOXJKNKX-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=C(C)CSc1ccc(C)cn1	306450415	PHSQJECJDIVOCE-UHFFFAOYSA-N	179.288	3.058	30	20	AGED	
C[C@@H](CCC#N)SCc1ccco1	308282773	XRDWRDJAQADJJY-VIFPVBQESA-N	195.287	3.205	30	20	AGED	
C=C(CC)CNc1nc(CC)cs1	313490901	WHAPXNFYUJLBIX-UHFFFAOYSA-N	196.319	3.084	30	20	AGED	
C=CCCN(C)C[C@H]1CCCC[C@H]1C	682436658	RZASMZYUEBRHPB-CHWSQXEVSA-N	195.350	3.321	30	20	AGED	
C=CCC1(NC/C=C\Cl)CCCC1	690753643	FFEASGCXVCCBOY-UITAMQMPSA-N	199.725	3.217	30	20	AGED	
CCCCSCCC(C)(C)C#N	83640627	JDCNLYINNJGZQB-UHFFFAOYSA-N	185.336	3.460	30	20	AGED	
C/C=C/C[C@@]1(C=O)CCCC[C@@H]1C	306413544	SKIPHHUAZOIADO-QSKOYVBTSA-N	180.291	3.348	30	20	AGED	
C=CCN[C@H]1CCC[C@H]1CCCC	308229163	NZRCXLULFAQVRP-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
C=CCSCCSC(C)(C)C	388163698	XQAMOCSBJHDGNL-UHFFFAOYSA-N	190.377	3.437	30	20	AGED	
CC(C)CNN=C1CC[C@H](C)[C@@H](C)C1	767385508	KLZXEGGPHXNRTR-QWRGUYRKSA-N	196.338	3.044	30	20	AGED	
C=CCCOC(=O)/C=C/C(=C\C)CC	767662883	VAQKQIBUQWGNTB-ODPXIJKVSA-N	194.274	3.018	30	20	AGED	
CCC(C)=NNc1ccccc1CC	915051881	XCSRTQPDBCDTAD-UHFFFAOYSA-N	190.290	3.447	30	20	AGED	
C=CCCCCN[C@@H](C(C)C)C1CC1	308544135	VIIQZSFAEMRYEY-ZDUSSCGKSA-N	195.350	3.367	30	20	AGED	
C=CCCCCCN(C)C(C)C	379321074	ZRBBVFJPTNQZJI-UHFFFAOYSA-N	169.312	3.073	30	20	AGED	
C=C(C)CCN[C@H]1CCC[C@@H]1CC	379397504	OJCVFCQMSJWZJD-RYUDHWBXSA-N	181.323	3.121	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC=C(C)CC1	379668671	ZXZJICXWNHHDPC-STQMWFEESA-N	193.334	3.430	30	20	AGED	
C=C(C)CCOC(=O)CCCCCC	168010531	LBFGUJJSPACVFK-UHFFFAOYSA-N	198.306	3.466	30	20	AGED	
CC[C@H](C)[C@@]1(C=O)CC[C@@H](C)C1	307096259	HJOIBPUYFJFNJI-VWYCJHECSA-N	168.280	3.038	30	20	AGED	
CC[C@@H](C#N)SCCCC(C)C	388423786	JCCSVHWHFRDXEP-JTQLQIEISA-N	185.336	3.458	30	20	AGED	
C=CCCCC[C@H](C)NCCC=C	658114157	LYIBSCKGCZKWPU-LBPRGKRZSA-N	181.323	3.287	30	20	AGED	
C=CCN(C[C@@H](C)CC(C)C)C1CC1	685003137	MRCJZALRNNZKPG-LBPRGKRZSA-N	195.350	3.319	30	20	AGED	
CC(C)CNN=C1CCC[C@@H]1C(C)C	771566036	CUBLJBRCBMEONA-LLVKDONJSA-N	196.338	3.044	30	20	AGED	
CCCCCCCS[C@H](C)CO	160705577	JQVDJLDUMPSLQJ-SNVBAGLBSA-N	190.352	3.071	30	20	AGED	
C=CCC[C@H](C)NC[C@H]1CC[C@@H](C)C1	230403354	CQKNDLWYIZTULU-AGIUHOORSA-N	195.350	3.367	30	20	AGED	
C=CCCCCCCCNCCC#N	819316960	MMMHKHZMCORZJZ-UHFFFAOYSA-N	194.322	3.016	30	20	AGED	
C=C(C)CN(C)CCC1CCCC1	308491017	REDPDQMIBFYGFT-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=CCCCCSCC1CC1	590738923	VRXSKMDJJLMVOP-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
C=CCCN[C@@H]1CCCC[C@H]1C1CC1	658115464	VUABUCRHXJTJDK-QWHCGFSZSA-N	193.334	3.121	30	20	AGED	
CCCCCCCC(=O)NC1CCC1	712333532	HJCQWFJUMLTYOE-UHFFFAOYSA-N	197.322	3.016	30	20	AGED	
C=C/C=C\CCN[C@@H](C)CCC=C	713476248	YVPXSHRBVYYKDI-VFFGBVLKSA-N	179.307	3.063	30	20	AGED	
C=C[C@H](C)ON=C1CC[C@H]1C1CCC1	844619853	DZKNDGKQTPPKLL-ONGXEEELSA-N	193.290	3.144	30	20	AGED	
C=C[C@@H](C)NCc1cc(C)sc1C	131321211	QAPBNBCGFKEIFY-MRVPVSSYSA-N	195.331	3.029	30	20	AGED	
C#CCN[C@@H](CCC(C)C)C(C)(C)C	308683319	YMAHAFYLGCHMMQ-LBPRGKRZSA-N	195.350	3.060	30	20	AGED	
C=CCC(C)(C)CN[C@H](C)C1CCC1	382143211	NFXZQNIQLDPEJU-LLVKDONJSA-N	195.350	3.367	30	20	AGED	
C=C(C)CCN(CC)CCC1CC1	388304000	OUKMWZACCJCBCO-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=C(C)CN1CCC(CC(C)C)CC1	760927056	RTFHANMMOLIITB-UHFFFAOYSA-N	195.350	3.321	30	20	AGED	
C=CCCCOC(=O)[C@](C)(C=C)CC	785762106	QEXYOXVOKNPOCU-GFCCVEGCSA-N	196.290	3.098	30	20	AGED	
CCCON=C(C)CCC(C)C	842565675	KRNHLEFIGKMFQD-UHFFFAOYSA-N	171.284	3.225	30	20	AGED	
CC(C)C(=NOCC1CCC1)C1CC1	853439929	PUMJJPDGNSMNTO-UHFFFAOYSA-N	195.306	3.225	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1ccc(F)cc1	157279450	CBDJXAAOVXMKFH-ZJUUUORDSA-N	193.265	3.051	30	20	AGED	
CC(C)CC1(C=O)CCC(C)CC1	306413204	RTQGRUARGWKJSW-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
C=C(C)CN1C[C@H](C)CCC[C@H]1C	307745690	SLOGUYYEAPXNOC-VXGBXAGGSA-N	181.323	3.073	30	20	AGED	
C=CC(C)(C)CNC1CCCCC1	395380896	JVTHUFDMZDVRQT-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CCCCN1CC(C)(C)C[C@H]1C	665221256	ZFLVCEDPQZUTND-LLVKDONJSA-N	181.323	3.073	30	20	AGED	
C=CCCCCCN1C2CCC1CC2	683779488	ZAJRAHJUINPBDA-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
CCCC=NNc1ccc(F)cc1C	755802307	UJCVWUZECRNUHP-UHFFFAOYSA-N	194.253	3.332	30	20	AGED	
CCCON=C1CC2(CCCC2)C1	901259080	OVUHXUKXYNNIGV-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
C=CCCNc1cc(C)cc(C)c1	70591413	QGGYGCQQSZEJIL-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C=C(C)CN[C@@H]1CCCCC1(C)C	86875047	MZFMNWHQJFOOJC-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=C(C)CCN[C@@H]1CC[C@H](C)C[C@@H]1C	228801771	PBGIYEBNYLXKRB-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
CC(C)C1(C=O)CCC(C)(C)CC1	307038033	GRYDFFWCRBPOEU-UHFFFAOYSA-N	182.307	3.428	30	20	AGED	
C=CCN[C@H](C)c1cccc(C)c1C	308602404	AZPRFVIFQQMKIP-GFCCVEGCSA-N	189.302	3.140	30	20	AGED	
C=CCCCCNc1cccc(C)n1	379525384	GCTLTNRLMBGISH-UHFFFAOYSA-N	190.290	3.158	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCCC(=C)C	648727238	PRMKUOVELDINLJ-RYUDHWBXSA-N	181.323	3.143	30	20	AGED	
CC[C@@H](C)NN=C1CCC(C)(C)CC1	790190467	VVAULXZKMFWPTH-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
C[C@H]1CCC(=NOC2CCC2)[C@H](C)C1	812235341	SNDLUSMKKLMLFI-VHSXEESVSA-N	195.306	3.368	30	20	AGED	
CC(C)ON=C1CC[C@H](C)[C@@H](C)C1	835003683	YBLKBUWQLZYBMG-UWVGGRQHSA-N	183.295	3.224	30	20	AGED	
C=CCCCCOC(=O)C(C)(C)C=C	835450277	TUWMEBDIJSHZFU-UHFFFAOYSA-N	196.290	3.098	30	20	AGED	
CCCON=C1CCC[C@@H](C2CC2)C1	842556600	JYRVIRYTZCYPSM-LLVKDONJSA-N	195.306	3.369	30	20	AGED	
CCC(=NOCC1CCC1)[C@H]1C[C@@H]1C	853440983	PTORFSPLSDKXQX-ONGXEEELSA-N	195.306	3.225	30	20	AGED	
C=C(Cl)CN[C@H](C)CCCCC	42222539	IHCGAKLRNNLDNF-SNVBAGLBSA-N	189.730	3.297	30	20	AGED	
C=C(CC)CN[C@@H]1CC[C@H](C)C[C@@H]1C	85058650	PRXWTRPWAYZXMX-RWMBFGLXSA-N	195.350	3.367	30	20	AGED	
FC(F)c1ccc(CS)cc1	124726801	MPRBMDSLLDWKFR-UHFFFAOYSA-N	174.215	3.054	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1ccccc1F	136203811	DAFDMLBBDMQLLG-UWVGGRQHSA-N	193.265	3.051	30	20	AGED	
C=CCSCCSC(C)C	306964610	MLTCYEBIZZYMDN-UHFFFAOYSA-N	176.350	3.047	30	20	AGED	
CC#CCSCCC(C)(C)C	307643094	OERZDLBJCSOIJR-UHFFFAOYSA-N	170.321	3.179	30	20	AGED	
C=CCCC(C)=NOCCC1CC1	308413561	PPEXSDPHQXIAIL-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
CC[C@H](C)C=NOC[C@@H](C)CC	388499099	LIZOVBPTKHPXIO-UWVGGRQHSA-N	171.284	3.081	30	20	AGED	
C=CCC[C@H](C)N[C@H](CC)CC=C	388845036	ZEZROTZLQLKEDV-NWDGAFQWSA-N	181.323	3.285	30	20	AGED	
C=C(CC)CNC(=O)CCCCCC	686492353	VTGFQUFMRGZQQZ-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C=CCCCOC(=O)[C@H](C)CCCC	800276992	PJTLVRLKDWFWNH-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
C#CCCSCc1ccccc1C	82496894	OLGAFEPAGYGSSJ-UHFFFAOYSA-N	190.311	3.252	30	20	AGED	
C=C(CC)CNCc1ccc(C)s1	85058251	CCGWALKYIBWWCG-UHFFFAOYSA-N	195.331	3.112	30	20	AGED	
C=CCCCN[C@H]1CCCC1(C)C	86874570	ZJFJJBYQFAGRFN-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CC[C@@H]1CCC[C@@H](C2(C=O)CC2)C1	306215936	JROSBVWGFBTEKT-GHMZBOCLSA-N	180.291	3.182	30	20	AGED	
CC[C@H](C)C1(C=O)CCC(C)CC1	306252817	RZTVLGDIFIIQNZ-CXQJBGSLSA-N	182.307	3.428	30	20	AGED	
C=CCCCCN[C@H]1CC[C@@H](C)C1	308147760	PEMYCHBPQRMLPU-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
CCCCCC(C)=NNCCCC	308425155	QSAFGYVVAFJLLZ-UHFFFAOYSA-N	184.327	3.332	30	20	AGED	
C=CC[C@H](CC)N[C@H](CC)[C@@H]1C[C@H]1C	321750515	ATNQUEKSOOKOTN-YVECIDJPSA-N	195.350	3.365	30	20	AGED	
C#CCCCN[C@H](CC)[C@H](C)CCC	379661629	QIKGTUDMADAEER-CHWSQXEVSA-N	195.350	3.204	30	20	AGED	
C[C@H]1CCCC(=NNC2CCCC2)C1	727652621	UKEKLKGRASZEEC-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
CCCNN=C(C)[C@H]1CCCC[C@H]1C	834940355	DQMIKPFWISJOPM-PWSUYJOCSA-N	196.338	3.188	30	20	AGED	
CC(C)ON=C1CCC[C@@H]1C(C)C	835001652	YSEJYDOZMSZTPQ-SNVBAGLBSA-N	183.295	3.224	30	20	AGED	
CCCON=C1CC[C@H](C)C[C@@H]1C	842554588	QIXUIGNELYPUII-UWVGGRQHSA-N	183.295	3.225	30	20	AGED	
C=C(C)CON=CC[C@H](C)CC	844619752	KRGFKAOYXTUYTO-SNVBAGLBSA-N	169.268	3.001	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@@H](C)C1	844624652	YPFCAFUDUOJLRU-ZJUUUORDSA-N	181.279	3.144	30	20	AGED	
C=C(C)CN[C@H](CC)c1ccccc1	51753683	BROXBRRMDRNDCI-CYBMUJFWSA-N	189.302	3.303	30	20	AGED	
CC[C@@H](C)CON=CC1CCCC1	308306369	OQBFCKYMHDKWOU-SNVBAGLBSA-N	183.295	3.225	30	20	AGED	
C=C[C@H](C)N[C@@H](CCC(C)C)C1CC1	308568440	ZRYCBGJZKIMBMD-AAEUAGOBSA-N	195.350	3.365	30	20	AGED	
C=CCCCC[C@H](C)N[C@H]1C=CCC1	850509507	RBHZNBDBGVGGFS-STQMWFEESA-N	193.334	3.430	30	20	AGED	
CC[C@H](C)C(C)=NN1CCCC[C@@H]1C	853379019	LUOYZVJMOTWWIZ-QWRGUYRKSA-N	196.338	3.283	30	20	AGED	
CC(C)Nc1ccc(Cl)c(C#N)c1	35224505	XXPHHCRZTXYLFD-UHFFFAOYSA-N	194.665	3.032	30	20	AGED	
C=C(Cl)CNC1CCC2(CC1)CC2	307710006	ODIRVBCNPLESKY-UHFFFAOYSA-N	199.725	3.051	30	20	AGED	
C=CCCC[C@H](C)NC[C@H](C)CC	379357129	QMWMFCMYIOPIFC-NEPJUHHUSA-N	183.339	3.367	30	20	AGED	
C=CCCCN1CC[C@@H](C(C)(C)C)C1	680112005	NYCHQOVQTZSXKO-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
Fc1cccc(NN=C2CCCC2)c1	920383285	COTAMMVOXXQVCM-UHFFFAOYSA-N	192.237	3.168	30	20	AGED	
CC(C)C[C@@H](C)C=NOCC1CC1	388283489	OHDYPONPPUDXCE-SNVBAGLBSA-N	183.295	3.081	30	20	AGED	
C=CCCN[C@H](C)CC1CCCC1	658117537	WFOWGOZACOLXRH-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
C=C(C)CON=C(C)CC1CCC1	844618938	OIKDOQOHJJJNIB-UHFFFAOYSA-N	181.279	3.145	30	20	AGED	
C=CCCCN[C@@H](C)C1CCCC1	70592501	NVQPKDUZZUKIAR-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=C(C)CCN(CC)C[C@@H](C)CC	393591220	QKLULHJOMLODPV-LBPRGKRZSA-N	183.339	3.321	30	20	AGED	
C=CCN(C)C[C@H]1CCC[C@H](CC)C1	681758369	VPPLEEFWTFRJCM-STQMWFEESA-N	195.350	3.321	30	20	AGED	
N#CCCCSCc1ccccc1	19847550	SWTGSLBVXBEXOV-UHFFFAOYSA-N	191.299	3.224	30	20	AGED	
C#CCCCOc1ccccc1Cl	75421170	MGLCKHIBNMEBEU-UHFFFAOYSA-N	194.661	3.132	30	20	AGED	
C=CC[C@H](C)N[C@@H]1CCCC[C@@H]1C	161686872	ZUFNTFYRCWRPDW-SDDRHHMPSA-N	181.323	3.119	30	20	AGED	
C=CCCNc1cc(F)cc(Cl)c1	217532546	MKGYUXKCBKXGQN-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C#C[C@H](CC)N[C@@H](CC)C[C@H](C)CC	300399843	XMKTYHWIFMBHEG-UPJWGTAASA-N	195.350	3.203	30	20	AGED	
C=CC(C)(C)CN[C@H]1CCC[C@H]1CC	385083123	ZHEZQWNCPJGCAT-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CC1CCN([C@H](C)CC(C)C)CC1	678349360	KFQMQAQSGCMSCQ-GFCCVEGCSA-N	195.350	3.319	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@H](C)[C@H]1C	844621755	MLVLSHYBLRHBQP-GARJFASQSA-N	195.306	3.390	30	20	AGED	
CCCCC=NN1CCCC[C@H]1C	853380686	VROCJKDSVQIIDA-LLVKDONJSA-N	182.311	3.037	30	20	AGED	
C#CCCCSc1cccc(F)c1	161043852	WFRRMOCSEINWSQ-UHFFFAOYSA-N	194.274	3.331	30	20	AGED	
C=CCCCSCC1CCC1	379255561	IUJOPDVJYICBLU-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
C=CCN1CCCC[C@H]1CCC(C)C	675509189	MKTNDIOGOUHOQR-ZDUSSCGKSA-N	195.350	3.463	30	20	AGED	
C=CCCCNc1c(F)cccc1F	70591512	FSSNKCPRIRGHSA-UHFFFAOYSA-N	197.228	3.343	30	20	AGED	
C=CCCCCSCC	196738936	ZABYFSURQSVPHA-UHFFFAOYSA-N	144.283	3.096	30	20	AGED	
C=CCC[C@@H](CC)NC/C=C\C1CC1	378862873	UMNYPZHIYVBVIJ-FMFIFOJESA-N	193.334	3.287	30	20	AGED	
C=CCCSc1ccc(C)cn1	379330842	YMOKITVNDRRKAM-UHFFFAOYSA-N	179.288	3.058	30	20	AGED	
C=CC(C)(C)CN[C@H](C(C)C)C1CC1	651425968	NHZKYJPLZLMSTI-GFCCVEGCSA-N	195.350	3.223	30	20	AGED	
CCON=CC[C@@H](C)c1ccccc1	755627212	KOPSGRGUDQVKNQ-LLVKDONJSA-N	191.274	3.203	30	20	AGED	
CCC(CC)NN=C1CCC[C@H]1CC	758371669	YSUSXJNGVNNABR-SNVBAGLBSA-N	196.338	3.331	30	20	AGED	
C=CCNc1cc(F)ccc1Cl	229005307	UUDKSWLHCWIKNE-UHFFFAOYSA-N	185.629	3.077	30	20	AGED	
CC(C)(C)ON=C[C@@H]1CC=CCC1	308161092	VAVJFNJYMVGLPF-SNVBAGLBSA-N	181.279	3.144	30	20	AGED	
C=CCC[C@@H](N[C@H](C)CC=C)C1CC1	308592429	WHDQOEQVXMVWKF-DGCLKSJQSA-N	193.334	3.285	30	20	AGED	
CC/C(=N\c1ccccc1F)S[O]	1857775868	QTIFOHWFJYBWLS-PKNBQFBNSA-N	198.242	3.344	30	20	AGED	
C=C(C)CNC1CCCCCCC1	41582106	RGXBJTHAQJWSJE-UHFFFAOYSA-N	181.323	3.265	30	20	AGED	
C=CCCSc1ccccc1C#N	196661040	JFMXUTQEYUULDK-UHFFFAOYSA-N	189.283	3.226	30	20	AGED	
C=CCNc1cc(C)ccc1Cl	227559153	FDJIPVMAHAIZCF-UHFFFAOYSA-N	181.666	3.246	30	20	AGED	
C=C(CC)CSCC1CC1	307417387	KQSJXMXZWWLUCR-UHFFFAOYSA-N	156.294	3.096	30	20	AGED	
C=C(C)CCN(C)[C@H](C)CCC	307995323	VZJDXEBXEPRHOD-LLVKDONJSA-N	169.312	3.073	30	20	AGED	
C[C@@H]1CCCCC1=NOC1CCC1	308269318	RGOGJMVQVXGLBN-SECBINFHSA-N	181.279	3.122	30	20	AGED	
C=CC[C@H](CC)N[C@H](C)c1ccco1	308722044	DOVNQTIGJSDNLH-MNOVXSKESA-N	193.290	3.285	30	20	AGED	
C#Cc1cccc(N(CC)CCC=C)c1	739912634	PFFMOQGGSMUGQN-UHFFFAOYSA-N	199.297	3.070	30	20	AGED	
C=CCN(CC1CCCCC1)OCC	832787084	NLFGDTJDNFAXIY-UHFFFAOYSA-N	197.322	3.006	30	20	AGED	
C1CCC(=NOCC2CCC2)CC1	853440149	VEVBNFRPBKUKSG-UHFFFAOYSA-N	181.279	3.123	30	20	AGED	
C=C(C)CN(C)C1CCC(C)(C)CC1	674872369	YXWNVDZCOFMPCP-UHFFFAOYSA-N	195.350	3.463	30	20	AGED	
C=C(C)CN1CC=C(C(C)(C)C)CC1	677561444	QQNTWPGAUVINOM-UHFFFAOYSA-N	193.334	3.241	30	20	AGED	
C=CCCCCCN1CC[C@H](C)[C@H]1C	683782100	JXHUDBZBJLJLHY-QWHCGFSZSA-N	195.350	3.463	30	20	AGED	
C=CCCCCCN1C[C@@H](C)C[C@@H]1C	683782228	QWRUWSCQXMGIRW-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=CCCCC(=O)N[C@H](CC)CCC	748295044	CWGMJSMSJHJAIG-LLVKDONJSA-N	197.322	3.038	30	20	AGED	
CCCON=C[C@H](C)CC(C)C	842551735	UCYGSKYGPMUKOU-SNVBAGLBSA-N	171.284	3.081	30	20	AGED	
C=C/C=C/CCSCC1(C#N)CC1	1339183060	LZMLMDVBLZVKHU-ONEGZZNKSA-N	193.315	3.156	30	20	AGED	
C=CC[C@@H](C)[C@@H](C)NCC=C(C)C	308152773	PGUVEROYOHZRKL-VXGBXAGGSA-N	181.323	3.143	30	20	AGED	
C=C(CC)CN1CCC[C@H]1C(C)C	379358748	WHWZNQXOAYPUIX-LBPRGKRZSA-N	181.323	3.073	30	20	AGED	
C=CCN[C@@H](CC)c1ccc(F)cc1	19875873	NIDWUOSGSUBQSE-LBPRGKRZSA-N	193.265	3.052	30	20	AGED	
CCC[C@H](CC)SCCC#N	307884016	SQTGATJEURLQAW-VIFPVBQESA-N	171.309	3.212	30	20	AGED	
C#CCN[C@H](CCC(C)C)C(C)(C)C	308683317	YMAHAFYLGCHMMQ-GFCCVEGCSA-N	195.350	3.060	30	20	AGED	
C#CCCCN[C@@H](CC)[C@H](C)CCC	379661630	QIKGTUDMADAEER-OLZOCXBDSA-N	195.350	3.204	30	20	AGED	
C=CCC1(NCCC2CC2)CCCC1	661849671	YNRCYOJRUHTCAM-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=C(C)CN(C)[C@H](C)c1ccccc1	680866040	SJSMSPGSGOXPOM-GFCCVEGCSA-N	189.302	3.256	30	20	AGED	
C=C(CC)CN1CC[C@H](C)[C@H]1CC	308417087	NLEJAMQMIJSGHJ-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CC(C)(C)CNc1ccc(C#N)cc1	48505653	XQFMRDUTUKRDIV-UHFFFAOYSA-N	188.274	3.016	30	20	AGED	
CC[C@@H](C)Sc1cccc(C#N)c1	229754466	FSJOHAFKXSYCMU-SECBINFHSA-N	191.299	3.449	30	20	AGED	
C=C(CC)CN[C@H](C)CCC1CC1	398129760	DTZGQTLRQIODLJ-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
CC(C)ON=C[C@@H]1CCCC[C@H]1C	835003738	ZTKOOMKIZSHSCP-MNOVXSKESA-N	183.295	3.224	30	20	AGED	
CCCON=C(C)CC(C)(C)C	842551857	VECPMUCWGHGRSZ-UHFFFAOYSA-N	171.284	3.225	30	20	AGED	
C=C(C)CON=C1CCC[C@H]1C(C)C	844618858	LAPSTYDBXGLCPU-NSHDSACASA-N	195.306	3.391	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CCC[C@H]1C	126871532	CQPUNMRILKQFHW-WOPDTQHZSA-N	181.323	3.119	30	20	AGED	
C=CC[C@H](CC)NCCC(C)(C)C	388797718	NPZVBBLKOVJZKQ-NSHDSACASA-N	183.339	3.367	30	20	AGED	
CCCN(C[C@H](C)CCC#N)C(C)C	602705791	POISSTAYKPALIA-GFCCVEGCSA-N	196.338	3.047	30	20	AGED	
C=CCC[C@H](CC)NCC1CC=CC1	624076515	ZHNRYPAQAMRBTM-ZDUSSCGKSA-N	193.334	3.287	30	20	AGED	
C=CCON=C(CC)c1ccccc1	835012625	WXFFJZLYBJNABO-UHFFFAOYSA-N	189.258	3.003	30	20	AGED	
C=CC[C@@H](CC)NCCCC(C)C	308170382	BDCWYJUWASFJSC-GFCCVEGCSA-N	183.339	3.367	30	20	AGED	
C=CCCC(CC)=NOCC(F)F	308303182	NABVCNHPPQRVCN-UHFFFAOYSA-N	191.221	3.000	30	20	AGED	
CCON=C[C@H]1CCC[C@H](CC)C1	308317831	YELLLPCWNDVGGU-QWRGUYRKSA-N	183.295	3.225	30	20	AGED	
CC[C@@H](C)CON=CCCC(C)C	378872183	QMDOXKWBNCCCQI-LLVKDONJSA-N	185.311	3.471	30	20	AGED	
C=C(Cl)CNc1ccc(C)c(C)c1	37488436	SEMFZRMZHRGKRW-UHFFFAOYSA-N	195.693	3.468	30	20	AGED	
CC(C)[C@H]1CCCC[C@H]1S	125785746	FXPDMIZSJNPDAF-RKDXNWHRSA-N	158.310	3.131	30	20	AGED	
C=C(C)c1cccc(C2(C#N)CC2)c1	259959164	AXZAUMARYMDQMI-UHFFFAOYSA-N	183.254	3.275	30	20	AGED	
C=C(CC)CN(C(C)C)C(C)C	308054624	UAWDJPJGMGZNIH-UHFFFAOYSA-N	169.312	3.071	30	20	AGED	
C=CCCCCN[C@@H](C)C1CCC1	379408239	ASBLKZBRQGVZOS-NSHDSACASA-N	181.323	3.121	30	20	AGED	
CCCCC(C)=NO[C@H]1CCCCO1	755820574	JIHUGJGCTMLYQZ-NSHDSACASA-N	199.294	3.096	30	20	AGED	
CC(C)CNN=C1CCCCC1(C)C	771566933	LBCIBGQZAUWUEN-UHFFFAOYSA-N	196.338	3.188	30	20	AGED	
CC(=NOC(C)C)c1cc(C)c(C)o1	835003404	SQLWXPFZSVSWPF-UHFFFAOYSA-N	195.262	3.045	30	20	AGED	
C=C[C@H](C)ON=C1CC[C@@H]1C1CCC1	844619850	DZKNDGKQTPPKLL-GXSJLCMTSA-N	193.290	3.144	30	20	AGED	
C=CCCCCCN(C)[C@@H](C)C1CC1	682075714	ZFCBOMRSYJJMHB-LBPRGKRZSA-N	195.350	3.463	30	20	AGED	
CC[C@H](C)NN=C1CC[C@H](C)C[C@H]1C	790189519	OOAHGYCXWAXALT-AXFHLTTASA-N	196.338	3.187	30	20	AGED	
CCCC(C)=NN1CCCC[C@H]1C	853381018	VHLPVDUEUQBXII-LLVKDONJSA-N	182.311	3.037	30	20	AGED	
C=CCCCSCc1cnoc1C	853767852	TWHMKFQYJAAIIG-UHFFFAOYSA-N	197.303	3.182	30	20	AGED	
C=C(C)CCN[C@H]1CCC(C)(C)C1	128984541	WYOCGYCMIJRJHS-NSHDSACASA-N	181.323	3.121	30	20	AGED	
C=CCCCNC[C@@H](C)CC(C)C	308138382	JPSJUODZDOHRDF-LBPRGKRZSA-N	183.339	3.224	30	20	AGED	
C=CCSc1ccc(COC)cc1	308390978	ZLMNXDPCXNZZBJ-UHFFFAOYSA-N	194.299	3.111	30	20	AGED	
C=CCCC(CCC)=NNCCC	378915067	MAXKZYPBFFKVAE-UHFFFAOYSA-N	182.311	3.108	30	20	AGED	
C=CCC[C@@H](NCC1(C)CC1)C1CC1	379613979	XGTKNZVQPAUOIC-GFCCVEGCSA-N	193.334	3.121	30	20	AGED	
C=CC[C@@H](C)[C@H](C)NCCC1CCC1	389274699	NUYYHLIPJYSCNK-NEPJUHHUSA-N	195.350	3.367	30	20	AGED	
C=CCCN(C)c1cc(C)ccc1C	606897126	UINGQLJPSBHXBK-UHFFFAOYSA-N	189.302	3.316	30	20	AGED	
CC[C@H](S)c1cccc(F)c1	164099443	RWFQJXDSWDYOGN-VIFPVBQESA-N	170.252	3.207	30	20	AGED	
C=C(CC)CN(CC)CCCC	307978943	NJRYDFVMDVIBQE-UHFFFAOYSA-N	169.312	3.075	30	20	AGED	
C=CCC[C@H](NCC1CCC1)C1CC1	308648374	IZCIFOWGHPTFKD-ZDUSSCGKSA-N	193.334	3.121	30	20	AGED	
C=CC[C@@H](CC)Nc1ncc(C)s1	379368386	YCBUDQKBUCZHCN-SECBINFHSA-N	196.319	3.218	30	20	AGED	
C=CC[C@H](C)[C@@H](C)N[C@@]1(C)CC1(C)C	658308388	PHOYREHEJNFJEV-LOWVWBTDSA-N	195.350	3.365	30	20	AGED	
C=C(C)CON=C(C)CCC(C)C	844615253	PFCPEVXGQBKYTE-UHFFFAOYSA-N	183.295	3.391	30	20	AGED	
C#Cc1cccc(NCC/C=C/CC)c1	309213621	TXXXOPGVXMIABA-AATRIKPKSA-N	199.297	3.436	30	20	AGED	
CC1(CSCC#N)CCCCC1	590741492	JWFINJISDWYMLU-UHFFFAOYSA-N	183.320	3.214	30	20	AGED	
C=CCN1CC[C@H](C(C)(C)C)C[C@@H]1C	672578394	OGISXEHUKFLYON-RYUDHWBXSA-N	195.350	3.319	30	20	AGED	
C=CCCN(CC(C)C)CC(C)C	196772268	IZGYTDAZQLVEAE-UHFFFAOYSA-N	183.339	3.177	30	20	AGED	
C[C@H]1CCC[C@H](CSCCC#N)C1	591133806	ZDDIOYMHOQLPGH-QWRGUYRKSA-N	197.347	3.460	30	20	AGED	
C=CCC[C@H](C)NCC1=CCCC1	658290914	IGBMRZZWZOQMQC-NSHDSACASA-N	179.307	3.041	30	20	AGED	
C=CCC(CC=C)C(=O)O[C@@H](C)CC	758517026	LCVBSXSMYZJRAO-JTQLQIEISA-N	196.290	3.097	30	20	AGED	
C#C[C@H](C)N[C@@H](C)C[C@@H](C)CC(C)C	389289777	YLPZEFLHVMEIQL-AVGNSLFASA-N	195.350	3.059	30	20	AGED	
CN(CCCCC#N)CCC(C)(C)C	399747351	CCDJPIGIDKTSQA-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=CC[C@H](C)[C@H](C)NCC(=C)CC	648840054	BRLHBVWORVCFEJ-RYUDHWBXSA-N	181.323	3.143	30	20	AGED	
C=C(C)CCN1C[C@@H](C)CCC[C@@H]1C	681403845	LKUFKYLVTLFOCX-STQMWFEESA-N	195.350	3.463	30	20	AGED	
C=C(C)c1cc(N(C)C)ccc1C	854189147	CYWCDWOTXIYJKD-UHFFFAOYSA-N	175.275	3.094	30	20	AGED	
CCC[C@@]1(C=O)CCC[C@H](C)C1	306449621	AWAQTPKXGDZBNO-WDEREUQCSA-N	168.280	3.182	30	20	AGED	
C=CCCCN1CCC[C@H](C)[C@H]1C	308199070	TVWJTLAQVOIMGC-NWDGAFQWSA-N	181.323	3.073	30	20	AGED	
CCSCc1ccc(CC#N)cc1	308423225	PMBLDSDSOXWOKP-UHFFFAOYSA-N	191.299	3.006	30	20	AGED	
C=CCC[C@H](N[C@H](C)CC=C)C1CC1	308592431	WHDQOEQVXMVWKF-YPMHNXCESA-N	193.334	3.285	30	20	AGED	
CCC[C@@H](C)N(C)C[C@@H](C)CCC#N	602441163	UNQQNVMFOWDHQH-NWDGAFQWSA-N	196.338	3.047	30	20	AGED	
C=C(C)CN(C)C[C@H]1CCC[C@@H](C)C1	679220451	YALCWVMLIWMMTL-OLZOCXBDSA-N	195.350	3.321	30	20	AGED	
C=C(C)CCN1CCCC[C@@H]1C(C)C	681404441	SJGWSUWYFNKZJL-CYBMUJFWSA-N	195.350	3.463	30	20	AGED	
C=CCCN[C@H]1CCCC[C@H]1CC	70591901	GDQDTALBZYXFDQ-NEPJUHHUSA-N	181.323	3.121	30	20	AGED	
CC(C)Cc1ccc(CS)cc1	77268653	QFYAJPFWVSCKEK-UHFFFAOYSA-N	180.316	3.315	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1ccccc1C	157265507	RIWNWFPKTZQGQR-RYUDHWBXSA-N	189.302	3.220	30	20	AGED	
C=CCCN[C@H]1CCC(C)(C)C[C@@H]1C	168501978	OWPIIQOEMQGMCY-RYUDHWBXSA-N	195.350	3.367	30	20	AGED	
CC[C@H](C)[C@]1(C=O)CCC[C@H](C)C1	306184504	PXVFDGOQGMZALK-SDDRHHMPSA-N	182.307	3.428	30	20	AGED	
CCC[C@H](S)C1CCCC1	306254241	LHMMUIMEHFUFEI-VIFPVBQESA-N	158.310	3.275	30	20	AGED	
C=CCN(CC=C)[C@@H](C)CC(C)C	308170844	ZMYNYTYGHWWJFV-LBPRGKRZSA-N	181.323	3.095	30	20	AGED	
C=CCCN(C)c1ccccc1C	653467317	KMEHIVDSESWLHO-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
CCCCCCCCc1nc(C)no1	733740272	XWLZBKMCXDUCBN-UHFFFAOYSA-N	196.294	3.281	30	20	AGED	
C=CCNC1CCC2(CCCC2)CC1	161358926	RPWGYRLBKRBQFM-UHFFFAOYSA-N	193.334	3.265	30	20	AGED	
C=C[C@H]1CCCCN1C/C=C(\C)Cl	528480730	IZINVMRKLSYHCO-HUYFXPKMSA-N	199.725	3.170	30	20	AGED	
C=C[C@@](C)(CC)C(=O)OC[C@H](C)CC	785755101	UJYLLJIVZFBNDX-PWSUYJOCSA-N	198.306	3.178	30	20	AGED	
CC[C@H](C)NN=C1CCCC[C@H]1CC	790182620	LCIGDGRFOPYJEN-WDEREUQCSA-N	196.338	3.331	30	20	AGED	
C[C@@H](C=NNC1CCCC1)C(C)(C)C	800811718	GMHXYXCLUHLWMH-JTQLQIEISA-N	196.338	3.187	30	20	AGED	
C[C@H]1C[C@H](C)CCC1=NOCC1CC1	814243710	KKOBVBGLMSEIIP-ZJUUUORDSA-N	195.306	3.225	30	20	AGED	
CC(CC(C)(C)C)=NNCC(C)C	1326637421	OTXYCGUQTTZOQK-UHFFFAOYSA-N	184.327	3.044	30	20	AGED	
C=CCSC1CCCCC1	38282170	PPNNVWQGVFZHNA-UHFFFAOYSA-N	156.294	3.238	30	20	AGED	
C=CC[C@H](CC)NC[C@@H]1CC=CCC1	308574156	CWGPEQVPMJWMLA-OLZOCXBDSA-N	193.334	3.287	30	20	AGED	
C=CCCCCC[C@@H](C)NCCC#N	308681041	XPUVACGCKOSKJL-GFCCVEGCSA-N	194.322	3.015	30	20	AGED	
C=CCCCN(C)[C@@H]1CCC[C@@H](C)C1	605149946	UNDDFHXZNCODBL-CHWSQXEVSA-N	195.350	3.463	30	20	AGED	
C=C(C)CN(C)c1ccccc1C	653467471	QPWYMQDTBDVKSG-UHFFFAOYSA-N	175.275	3.007	30	20	AGED	
C=C(Cl)COc1ccc(C)cc1C	70233668	AYMDZNQRMFWYEG-UHFFFAOYSA-N	196.677	3.435	30	20	AGED	
C=C(CC)CNc1ccncc1Cl	306176378	YDNKHFPEILIWSX-UHFFFAOYSA-N	196.681	3.113	30	20	AGED	
CC(CC1CCC1)=NOC(C)(C)C	308162701	WAGMWIOECKOQNT-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=CCN[C@@H](C)c1cccc(C)c1C	308602405	AZPRFVIFQQMKIP-LBPRGKRZSA-N	189.302	3.140	30	20	AGED	
C=CC(C)(C)CN[C@@H](C)c1ccco1	385042185	OGMQCJKFMGPICW-JTQLQIEISA-N	193.290	3.142	30	20	AGED	
CCC(=NOC1CCCC1)C(C)C	388661854	VQHBILVINHGZIE-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
C=CCCCCSC[C@@H](C)OC	591388977	VGXMFPSYNNEVSH-SNVBAGLBSA-N	188.336	3.111	30	20	AGED	
CCCNN=C(CC)C1CCCCC1	750935048	UDRVRCKQMWEIOL-UHFFFAOYSA-N	196.338	3.332	30	20	AGED	
CCCC(CC)=NO[C@H]1CCCCO1	776187908	PGGHZRIGSZINDZ-NSHDSACASA-N	199.294	3.096	30	20	AGED	
C[C@H]1CCCCCC1=NOCC1CC1	844599008	ZAINNJVXNHIWJC-JTQLQIEISA-N	195.306	3.369	30	20	AGED	
C=C(C)CN1CCCc2ccccc21	79392229	QVWDFRLLSNSAMA-UHFFFAOYSA-N	187.286	3.015	30	20	AGED	
C#Cc1cccc(N[C@H]2CC[C@@H]2CC)c1	309088384	BGOREGBOQOMTPQ-JSGCOSHPSA-N	199.297	3.268	30	20	AGED	
C=C(C)CN(CCC(C)C)C1CC1	642634803	YCUVQTBIKABVQQ-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
C=CCCN[C@H](CC)C[C@H](C)CC	168504356	MSCQYTYPHBIBKR-VXGBXAGGSA-N	183.339	3.367	30	20	AGED	
C=CCCSCCCCC	306757218	MZOHECNSJUGNGU-UHFFFAOYSA-N	158.310	3.486	30	20	AGED	
C[C@H]1CC[C@@](C=O)(C/C=C/Cl)C1	307309338	PCIKBNUQERLSFR-BIAHNBGISA-N	186.682	3.134	30	20	AGED	
CC(C)(C)ON=C1CCC12CCC2	308156693	RSWYVYWDKWWBQQ-UHFFFAOYSA-N	181.279	3.122	30	20	AGED	
C=CCCSCC1CCCC1	379231325	OZWFHAAOQMPEKB-UHFFFAOYSA-N	170.321	3.486	30	20	AGED	
C=C(C)CCN[C@H]1CC=C(C)CC1	648727806	ULTUBMKMWVUNTP-LBPRGKRZSA-N	179.307	3.041	30	20	AGED	
C=CCCCCOC(=O)C[C@H](C)CC	811011036	LQASRRFSRSQRTL-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
C=C[C@H](CC)OC(=O)C(C)(C)C(=C)C	820505001	JYVJYSPSGOSONQ-SNVBAGLBSA-N	196.290	3.097	30	20	AGED	
C=C[C@@H](N)c1ccc(C(C)(C)C)cc1	83966355	VBTUZLQGBMWJBF-GFCCVEGCSA-N	189.302	3.170	30	20	AGED	
C=CCCOc1ccc(F)c(C)c1	158878047	VUELSQKOEHJKSZ-UHFFFAOYSA-N	180.222	3.089	30	20	AGED	
CCC(=NOC1CCCC1)[C@H]1C[C@H]1C	841632312	VIKCCSYZNQDPMW-KOLCDFICSA-N	195.306	3.368	30	20	AGED	
C=C/C=C\CCSCCCC#N	902454189	WDAOKVNYSNQSEA-ARJAWSKDSA-N	181.304	3.156	30	20	AGED	
C=CCCNc1ccc(Cl)c(F)c1	70591909	BDVDFQMQOWXGOT-UHFFFAOYSA-N	199.656	3.467	30	20	AGED	
C=CCCN[C@H](C)c1ccccc1C	70592003	RNABYISHWGVVJN-GFCCVEGCSA-N	189.302	3.222	30	20	AGED	
C=C(CC)CN[C@@H]1CCC(C)(C)C1	128979062	CAOAQZIRUHZOPO-LLVKDONJSA-N	181.323	3.121	30	20	AGED	
N#Cc1cc(Cl)cc(C(F)F)c1	238659383	VWLVLYSVBANGFC-UHFFFAOYSA-N	187.576	3.149	30	20	AGED	
C=C(C)CNC[C@@H]1CCCC(C)(C)C1	308489696	BBKHAIPXNSJAMK-GFCCVEGCSA-N	195.350	3.369	30	20	AGED	
C=CCCC(=O)NC(CC)(CC)CC	607571301	AQBURVUJPZNHBK-UHFFFAOYSA-N	197.322	3.038	30	20	AGED	
C=C(C)c1ccc2c(c1)C[C@@H](C)O2	649444250	KCGKLJWIGYVKCG-SECBINFHSA-N	174.243	3.043	30	20	AGED	
C[C@@H]1CCCCC1=NNC1CCCC1	727652605	TTYFZOJBJLGIAA-SNVBAGLBSA-N	194.322	3.085	30	20	AGED	
C=CCCCOC(=O)/C=C(/C)CCC	735532182	LBDFZIPNMSTRKU-KHPPLWFESA-N	196.290	3.242	30	20	AGED	
CCCNN=C[C@@H]1CCCC(C)(C)C1	752728393	ZYAFMVPNBXHLTG-LLVKDONJSA-N	196.338	3.188	30	20	AGED	
CCCCNN=C1CC(C)(C)C[C@@H]1C	766011769	SABQMCLORTYZRJ-JTQLQIEISA-N	196.338	3.188	30	20	AGED	
CCC(C=NN[C@@H](C)C(C)(C)C)CC	793115278	QMGNUEIFSINAKS-JTQLQIEISA-N	198.354	3.433	30	20	AGED	
C#Cc1cccc(NCCCC=C)c1	70591201	NXQFWQSLWSFSEN-UHFFFAOYSA-N	185.270	3.046	30	20	AGED	
O=CCCc1csc2ccccc12	82579977	QRUNYWVFXJQVJD-UHFFFAOYSA-N	190.267	3.033	30	20	AGED	
C=C(C)CCNC[C@H](C)C(C)(C)C	169017508	CAZQBVSJLIDXFF-NSHDSACASA-N	183.339	3.224	30	20	AGED	
C=CCN1CCC2(CCCCC2)CC1	584631010	INVGTLZYKJURCL-UHFFFAOYSA-N	193.334	3.219	30	20	AGED	
C=CCNc1cccc2c1CCCC2	50521761	XFBSPEHRCAHSDT-UHFFFAOYSA-N	187.286	3.163	30	20	AGED	
CC[C@@H](S)c1cccc(C)c1	306186048	IWFTUAJYYBHMQO-SNVBAGLBSA-N	166.289	3.376	30	20	AGED	
C=CCNc1nc(C2CCC2)cs1	306510371	KWADMKASLOWKMB-UHFFFAOYSA-N	194.303	3.009	30	20	AGED	
CC1=CC(=NOC2CCC2)CCC1	308311562	RUYPFBRXQZVZJK-UHFFFAOYSA-N	179.263	3.042	30	20	AGED	
C#CC(C)(C)Cc1cccc(C)c1	585142561	LJBHQRDTQSPBSP-UHFFFAOYSA-N	172.271	3.197	30	20	AGED	
C=C(C)c1cccc(C2=CCNCC2)c1	629729910	JOUPWTJHIVCBIZ-UHFFFAOYSA-N	199.297	3.096	30	20	AGED	
C=CCC[C@H](C)NCC[C@@H](C)CC	658123372	ZQCUPNGLCFIKGI-RYUDHWBXSA-N	183.339	3.367	30	20	AGED	
C=CCCCCOC(=O)[C@H](C)CCC	811013389	SLXCNMUKCKUJQR-LLVKDONJSA-N	198.306	3.322	30	20	AGED	
CC[C@@H](C)Sc1ccccc1C#N	20077591	LCMZDQUMDPGEKW-SECBINFHSA-N	191.299	3.449	30	20	AGED	
CC(C)C[C@@]1(C=O)CCCC[C@H]1C	306267713	QPJGGGGLQCUQDO-VXGBXAGGSA-N	182.307	3.428	30	20	AGED	
C=CCCSc1nc(C)cs1	307619430	XRRUXUCWHGURLU-UHFFFAOYSA-N	185.317	3.120	30	20	AGED	
C=CCC[C@@H](CCC)NC1CCC1	308145821	ACUZZPSKCLWYOH-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=CC[C@H](C)[C@@H](C)NC[C@@H]1CC1(C)C	308685283	ZDJBPLQFKWGDAQ-TUAOUCFPSA-N	195.350	3.223	30	20	AGED	
C[C@H]1CCCC(=NOC2CCC2)[C@@H]1C	812235222	PIPKYXSAUOYVQJ-VHSXEESVSA-N	195.306	3.368	30	20	AGED	
C=CCCN[C@@H](C)c1sccc1C	168569604	PFARGQWNBRLYCG-JTQLQIEISA-N	195.331	3.283	30	20	AGED	
C=CC[C@H](CC)N[C@H]1CC[C@H]1C1CC1	308723834	FOZHIYPGWGPULK-AVGNSLFASA-N	193.334	3.119	30	20	AGED	
C=C(C)CN[C@@H](CCC)C(C)(C)C	649931249	CZFAUQPRGNYBAN-NSHDSACASA-N	183.339	3.367	30	20	AGED	
CCC(=NNC1CCCCC1)C1CC1	786041188	XPUFJGMKUQBNPG-UHFFFAOYSA-N	194.322	3.085	30	20	AGED	
CC(C)(C)CCC(C)(C)C=O	17438759	UYUGJIUEXFPBFL-UHFFFAOYSA-N	156.269	3.038	30	20	AGED	
C=C(C)CNc1cc(C)ccc1C	48936947	UMPQTJHXPZITAJ-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
CCCCCCCN[C@H](C)C1CC1	59312473	ISZLRYFNQLDICZ-LLVKDONJSA-N	183.339	3.345	30	20	AGED	
C=CCCNc1ccc(C)c(C)c1	70591371	NBZSROFFMJIRBE-UHFFFAOYSA-N	175.275	3.291	30	20	AGED	
C#CCCSc1cccc(C)c1	82496875	QKUMEMJEBRLZMM-UHFFFAOYSA-N	176.284	3.110	30	20	AGED	
Cc1ccc([C@@H](C)S)cc1F	87284381	XEJMHBSDDGHDPU-SSDOTTSWSA-N	170.252	3.125	30	20	AGED	
C=C(Cl)COc1cc(C)ccc1C	87555503	AYRROUXVRMGBQP-UHFFFAOYSA-N	196.677	3.435	30	20	AGED	
C=C(CC)CN1C[C@@H](C)CC1(C)C	306689454	KVJFUNAKQKZYQJ-NSHDSACASA-N	181.323	3.073	30	20	AGED	
C=CCC1(CNC(C)C)CCCC1	317823034	IFLKBIWJYMCJHS-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
C=CCCCN1CCC[C@H]2CCC[C@@H]21	608498522	QTGPFVLZAVXGRM-OLZOCXBDSA-N	193.334	3.217	30	20	AGED	
C=C(CC)CNC1(CC(C)C)CC1	662073425	ZJBRVYBTYYOLQA-UHFFFAOYSA-N	181.323	3.121	30	20	AGED	
CC(C)CNN=C1CC[C@H](C)C[C@@H]1C	783865068	VWFJUHJESQVYGP-QWRGUYRKSA-N	196.338	3.044	30	20	AGED	
C=C[C@@H](C)ON=C[C@@H](C)CC(C)C	844625117	LGXNKOFWAWBNCT-WDEREUQCSA-N	183.295	3.246	30	20	AGED	
C=CC[C@H](C)NC[C@H](C)CC(C)C	300836346	CPGDFCYRLHFUNZ-NEPJUHHUSA-N	183.339	3.223	30	20	AGED	
C=C(C)C[C@]1(C=O)CCCC[C@@H]1C	307622211	KZEXDKPIBRKZGO-RYUDHWBXSA-N	180.291	3.348	30	20	AGED	
C=CCCCCCN(C)CCC1CC1	608497679	UGFJTBYLVYUACF-UHFFFAOYSA-N	195.350	3.465	30	20	AGED	
C=CCCCOC(=O)C1(C)CCCC1	735527677	KWABWFZOYLBPHT-UHFFFAOYSA-N	196.290	3.076	30	20	AGED	
C[C@H]1CCC[C@@H](C=NOCC2CC2)C1	814244545	ZKNIKHAWHMKHHC-CMPLNLGQSA-N	195.306	3.225	30	20	AGED	
C=C[C@H](C)ON=C1CCC[C@H](C)C1	844624647	YPFCAFUDUOJLRU-UWVGGRQHSA-N	181.279	3.144	30	20	AGED	
C=CCCCN[C@@H]1CCCC[C@H]1C	70591403	HZCZDFVSPNMAPL-VXGBXAGGSA-N	181.323	3.121	30	20	AGED	
CC[C@@H](C)N(C)CCCC(C)(C)C#N	83642701	ZUGSOUASSNUOTD-LLVKDONJSA-N	196.338	3.047	30	20	AGED	
C=CC[C@H](C)N[C@H]1CC(C)(C)C[C@@H]1C	235075951	JNECSFAZHCDOQP-SRVKXCTJSA-N	195.350	3.365	30	20	AGED	
CC[C@@H](C)CON=CC(C)(C)C	307949728	MUUHVAMYMUPNGO-SECBINFHSA-N	171.284	3.081	30	20	AGED	
C=CCC[C@H](CCC)N[C@H](C)CF	308371831	QNCCATOXTHQJNP-MNOVXSKESA-N	187.302	3.069	30	20	AGED	
CC(C)CS[C@@H]1CC[C@@H](C#N)C1	336195168	PCZQUVKBOXXEJL-NXEZZACHSA-N	183.320	3.068	30	20	AGED	
C=CCCCCN1CCC[C@H](C)C1	649238560	VCIQIDLMCNWBCZ-LBPRGKRZSA-N	181.323	3.075	30	20	AGED	
CC[C@@H](C)NN=C(C)CC(C)(C)C	834971715	AJBASWNLHVCKTE-SECBINFHSA-N	184.327	3.187	30	20	AGED	
CC[C@@H]1CCC1=NN1CCCC[C@H]1C	853381745	KOKUFQINIDGJLV-GHMZBOCLSA-N	194.322	3.037	30	20	AGED	
CC1(C)CCC[C@@H](S)CC1	83435137	XLISCJPJAPHQKK-MRVPVSSYSA-N	158.310	3.275	30	20	AGED	
CCCCCCCNC[C@@H]1C[C@@H]1C	166828451	WCVAQJVSSOSXPY-RYUDHWBXSA-N	183.339	3.202	30	20	AGED	
C=CCCCCCn1cc(Cl)cn1	379373665	LREJMUXSPHQLEZ-UHFFFAOYSA-N	198.697	3.283	30	20	AGED	
C=CCC[C@H](C)N[C@H]1CCC[C@@H]2C[C@H]12	657231807	UYDCXNSQICQXMY-RNJOBUHISA-N	193.334	3.119	30	20	AGED	
C=CC[C@H]1CCCN(CCC2CC2)C1	661381284	ZDTCKOQHFXNQLX-ZDUSSCGKSA-N	193.334	3.075	30	20	AGED	
C[C@@H]1CCCC(=NOCCC2CC2)C1	814246384	KCGJMUINFPWFQO-SNVBAGLBSA-N	195.306	3.369	30	20	AGED	
CCC(=NOC(C)C)c1ccsc1	835002798	RGTIXJDUKCTONT-UHFFFAOYSA-N	197.303	3.287	30	20	AGED	
CCCCC(CC)=NOCC1CC1	308420743	STMUJPRSFVDUBJ-UHFFFAOYSA-N	183.295	3.369	30	20	AGED	
C=C(C)CCN[C@@H]1CC[C@H](C)C[C@H]1C	168065841	PBGIYEBNYLXKRB-YNEHKIRRSA-N	195.350	3.367	30	20	AGED	
C=CCC[C@@H](CCC)N[C@H](C)CF	308371830	QNCCATOXTHQJNP-GHMZBOCLSA-N	187.302	3.069	30	20	AGED	
CON=CC[C@@H](C)CCC=C(C)C	379406378	WFBHPEOVMWTQHI-NSHDSACASA-N	183.295	3.391	30	20	AGED	
C#C[C@H](CC)N[C@H](CCC)CCC=C	389291908	ZSSLJHPLVPNHKR-CHWSQXEVSA-N	193.334	3.123	30	20	AGED	
C=CCCN(C1CC1)[C@H](C)[C@H](C)CC	606897849	IPHPWJSVUDWZER-VXGBXAGGSA-N	195.350	3.462	30	20	AGED	
C=C(CC)CN[C@H]1CCC12CCCC2	649960397	FCYSTUWDWYIHQK-LBPRGKRZSA-N	193.334	3.265	30	20	AGED	
C=CCC[C@H](CCC)N[C@@H]1C=CCC1	850509685	PNFBNEUFKMYLIT-QWHCGFSZSA-N	193.334	3.430	30	20	AGED	
C#CCCNc1ccc(C(C)C)cc1	70159493	RSXGHUSEGQLPSF-UHFFFAOYSA-N	187.286	3.245	30	20	AGED	
CC(C)(C)C#CCC1(O)CCCCC1	104837231	CKSLRYULOUBEOF-UHFFFAOYSA-N	194.318	3.121	30	20	AGED	
CC#CCNc1c(C)cc(C)cc1C	306350859	WSEHDFHBHHIMRM-UHFFFAOYSA-N	187.286	3.047	30	20	AGED	
CC(=NOC(C)(C)C)C1CCCC1	308142086	JJGPDKZQAXCWEP-UHFFFAOYSA-N	183.295	3.368	30	20	AGED	
CCON=C[C@@H]1CCC[C@@H](CC)C1	308317823	YELLLPCWNDVGGU-GHMZBOCLSA-N	183.295	3.225	30	20	AGED	
C=CCCCN(C1CCC1)C1CCC1	644784857	QXUGGRIICBGXCT-UHFFFAOYSA-N	193.334	3.360	30	20	AGED	
C=CCCNC[C@H]1C(C)=CCC[C@@H]1C	657583108	ZTAZIFQDIAKWKD-STQMWFEESA-N	193.334	3.145	30	20	AGED	
C=CCON=C1CCC[C@@H](CC)C1	835015323	IHVSRHUZFDKJJN-SNVBAGLBSA-N	181.279	3.145	30	20	AGED	
CCCON=CC(C(C)C)C(C)C	842551926	VJEINUDLWWKTKU-UHFFFAOYSA-N	185.311	3.327	30	20	AGED	
C[C@@H]1CCCC[C@@H]1CON=CC1CC1	853736071	KPICGSSHPVMVIN-ZYHUDNBSSA-N	195.306	3.225	30	20	AGED	
CCCN(CC)CCCC(C)(C)C#N	83642695	JJWKPTBKJURIID-UHFFFAOYSA-N	196.338	3.048	30	20	AGED	
C=C[C@H](C)NC1CCCCCCC1	157254745	CJUAMCCMIIYEOL-NSHDSACASA-N	181.323	3.263	30	20	AGED	
C#C[C@@H](N[C@@H](C)CCC(C)C)C(C)C	300915084	MHBAQUWYGVIOHN-QWHCGFSZSA-N	195.350	3.059	30	20	AGED	
CC(C)(C#N)CCCSCC1CC1	308142396	JKMZNNWKIBACFN-UHFFFAOYSA-N	197.347	3.460	30	20	AGED	
C=CCCCCSC(C)C	591381211	UUOPPBOQUANEJF-UHFFFAOYSA-N	158.310	3.484	30	20	AGED	
C=CCCCSC[C@@H](CC)OC	591384547	MVIPWEXUPYHGRS-SNVBAGLBSA-N	188.336	3.111	30	20	AGED	
CC#CCN(C(C)C)C1CCCCC1	607728772	WRRDUVIRRMCSRU-UHFFFAOYSA-N	193.334	3.053	30	20	AGED	
C=CCCCCN1CC[C@H]2CCC[C@H]21	649457286	MYCIOHFQSDBHAH-CHWSQXEVSA-N	193.334	3.217	30	20	AGED	
C[C@@H]1CC(=NOC2CCC2)C[C@@H](C)C1	812235316	RVTXVVYPLRPABF-UWVGGRQHSA-N	195.306	3.368	30	20	AGED	
CC(C)=CCC[C@H](C)[C@H](C)C=O	34402397	RQJWDOKNRPUUJN-WDEREUQCSA-N	168.280	3.204	30	20	AGED	in-vitro
C=C(C)CSc1ccc(O)cc1	37995678	NYVMESOHCROKQY-UHFFFAOYSA-N	180.272	3.060	30	20	AGED	
C=C(CC)COc1ccccc1F	85071469	SANQHOCTDPPERV-UHFFFAOYSA-N	180.222	3.171	30	20	AGED	
C=C(C)CCN1CCCC(C)(C)C1	306420183	WYUBHGDTTONITN-UHFFFAOYSA-N	181.323	3.075	30	20	AGED	
C=C[C@H](C)N[C@@H](C)c1csc(C)c1	381671584	BZZMEBARLCOWPH-WPRPVWTQSA-N	195.331	3.282	30	20	AGED	
C=CCCCN(C)[C@@H]1CCC(C)(C)C1	680369783	UJMIWBLMPRATLX-GFCCVEGCSA-N	195.350	3.463	30	20	AGED	
C#Cc1cccc(NCC2CC=CC2)c1	692036436	VBMIZBGSDLZYOQ-UHFFFAOYSA-N	197.281	3.046	30	20	AGED	
C=CCCCCCOC(=O)C=C(C)C	781952165	RRIUFDZICYQRRK-UHFFFAOYSA-N	196.290	3.242	30	20	AGED	
Cc1ccc(S[C@H](C)C#N)s1	830037474	QTNMGKUSKLAAOT-SSDOTTSWSA-N	183.301	3.061	30	20	AGED	
C=CCC[C@H](C)N[C@H](C)CC(C)C	126883714	VVCVCXIEOAMEJA-NWDGAFQWSA-N	183.339	3.365	30	20	AGED	
C#CCCCNc1ccc(CC)cc1	161053955	QXCJEFHEQHJLPJ-UHFFFAOYSA-N	187.286	3.074	30	20	AGED	
C=C(CC)CSc1ccccn1	200474726	VDHBBUWCXUCFMN-UHFFFAOYSA-N	179.288	3.140	30	20	AGED	
CCCCCS[C@H](C#N)CC	232044322	XGUIWUBEBIZSQV-VIFPVBQESA-N	171.309	3.212	30	20	AGED	
C=C(CC)CN(CC(C)C)C1CC1	379356228	NKQMFGVMWOCPGZ-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
CCCC(C)=NOC1CCCC1	388523862	YQZQBBLMYMELTD-UHFFFAOYSA-N	169.268	3.122	30	20	AGED	
C(#CC1CC1)c1nccc2sccc12	585143753	KVIDKARDPAAQOP-UHFFFAOYSA-N	199.278	3.058	30	20	AGED	
C=CCCN1CC(C)(C)[C@@H]2CCC[C@H]21	645248466	VILGNVFWVBIWLA-VXGBXAGGSA-N	193.334	3.073	30	20	AGED	
C=C[C@@H](C)N[C@@H](C)c1cccc(C)c1	157296978	DYPVIGLZPXOBQG-NEPJUHHUSA-N	189.302	3.220	30	20	AGED	
C=CCCN(CCC(C)C)C1CC1	308156311	RNNFNNORPKCWSF-UHFFFAOYSA-N	181.323	3.073	30	20	AGED	
CC[C@H](C)CON=C1CC2(CCC2)C1	793158518	IJCIMHHJTOUBLK-JTQLQIEISA-N	195.306	3.369	30	20	AGED	
C=C/C=C/CCSCC=C	902324822	NDRSFDWOBGULJT-AATRIKPKSA-N	154.278	3.038	30	20	AGED	
C=C(C)COc1ccc(CC)cc1	70233563	YIFJGMGMACQWBD-UHFFFAOYSA-N	176.259	3.204	30	20	AGED	
CC1(C)CCC(C)(C#N)CC1	83778480	QRCQBVOXWMOELZ-UHFFFAOYSA-N	151.253	3.116	30	20	AGED	
C=CCNC(=O)CCCCCCCC	105631840	CAXZCFQSMKMBNV-UHFFFAOYSA-N	197.322	3.039	30	20	AGED	
C#C[C@H](N[C@H](C)CCC(C)C)C(C)C	300915082	MHBAQUWYGVIOHN-OLZOCXBDSA-N	195.350	3.059	30	20	AGED	
C=C(C)COc1cc(F)c(F)cc1C	306203019	RCVYDJZDZHMKHT-UHFFFAOYSA-N	198.212	3.228	30	20	AGED	
C=C(C)CSCC(C)(C)C	306475526	RUMDXKSBWIBGQD-UHFFFAOYSA-N	158.310	3.342	30	20	AGED	
C=C(C)CSCC1CCC1	307327017	NZBLXTPUGWAOSD-UHFFFAOYSA-N	156.294	3.096	30	20	AGED	
C=CCCSc1ccc(F)cc1	308082787	KXGVCSZIALGWHL-UHFFFAOYSA-N	182.263	3.494	30	20	AGED	
C=CC[C@H](CC)NCC(CC)CC	308235322	QQQBWMJBFSDSGC-LBPRGKRZSA-N	183.339	3.367	30	20	AGED	
C=CC[C@H](CC)N[C@@H](C)C1CCC1	308300340	LLHJSHMTLQLCKR-JQWIXIFHSA-N	181.323	3.119	30	20	AGED	
C=C(C)CCN1CC[C@@H](C)C(C)(C)C1	681412316	LMNWITJTXGKJMX-GFCCVEGCSA-N	195.350	3.321	30	20	AGED	
CC(CCCCC#N)=NOC1CCC1	841639535	SGKWULHHQOMCNQ-UHFFFAOYSA-N	194.278	3.015	30	20	AGED	
C=C[C@H](C)ON=C[C@H](C)C(C)(C)C	844624941	KJSBAZSLUDUNHU-UWVGGRQHSA-N	183.295	3.246	30	20	AGED	
C=C[C@@H](C)ON=C[C@H](C)C(C)(C)C	844624944	KJSBAZSLUDUNHU-VHSXEESVSA-N	183.295	3.246	30	20	AGED	
C=CCCCSc1ccccc1O	70595309	MYCDFQXEINNELT-UHFFFAOYSA-N	194.299	3.451	30	20	AGED	
C=C(C)C[C@@]1(C=O)CCCC[C@H]1C	307622212	KZEXDKPIBRKZGO-VXGBXAGGSA-N	180.291	3.348	30	20	AGED	
C=CCC[C@@H](CCC)NC1(C)CC1	379412419	KDMSTWSQWKAYSP-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=CCC[C@H](C)NCC1=CCCCC1	379587466	LZWJNRKBMBQHIQ-LBPRGKRZSA-N	193.334	3.431	30	20	AGED	
C=CCCSCC1=CCCC1	592453049	VCMFNZJGVNKRPH-UHFFFAOYSA-N	168.305	3.406	30	20	AGED	
C=CCCCN(C)[C@H]1CCCC[C@@H]1C	605149751	JIZUCKPJJQKWQM-STQMWFEESA-N	195.350	3.463	30	20	AGED	
CC[C@H](C)NN=C1CCCC12CCC2	834973108	LZVLCXGFHYELIN-JTQLQIEISA-N	194.322	3.085	30	20	AGED	
C=C(C)CON=C1CCC[C@@H]1CC	844618844	KKIUFGZOHAQBJM-JTQLQIEISA-N	181.279	3.145	30	20	AGED	
C=CCCCN[C@H](C)c1ccsc1	70592347	ZGKKBVPFTVHUFU-SNVBAGLBSA-N	195.331	3.365	30	20	AGED	
C=C[C@H](C)ON=C1C[C@@H](C)CC[C@@H]1C	844620344	JZQGVGVVRXLKBV-DCAQKATOSA-N	195.306	3.390	30	20	AGED	
C=C/C=C/CCSCCCC#N	902454190	WDAOKVNYSNQSEA-ONEGZZNKSA-N	181.304	3.156	30	20	AGED	
CCCC[C@H](C)[C@H](C)NCCCC#N	308566266	ATOGGHJYNWWTPH-RYUDHWBXSA-N	196.338	3.095	30	20	AGED	
CC[C@@H](C)CON=C1CC[C@@H](C)C1	378872059	QDTUNUKMQXROMK-NXEZZACHSA-N	183.295	3.225	30	20	AGED	
C=CC[C@@H](CC)NCc1cccs1	388339845	JDRCNTIVRSFFSL-SNVBAGLBSA-N	195.331	3.192	30	20	AGED	
C=C(C)COC(=O)C(C)(C)CC(C)C	753400701	SUEAOTWAYOIFJX-UHFFFAOYSA-N	198.306	3.178	30	20	AGED	
CC(C)(C#N)c1ccc(F)cc1Cl	62606968	PUJZLSGUKAWWRL-UHFFFAOYSA-N	197.640	3.280	30	20	AGED	
C=CCC[C@@H](C)NC1CCCCC1	126714420	ISQFZGSLVMJIID-LLVKDONJSA-N	181.323	3.263	30	20	AGED	
C=C[C@H](C)N[C@@H](CC)[C@@H](C)CCC	308208160	DRPROQSGFAQKNH-SRVKXCTJSA-N	183.339	3.365	30	20	AGED	
C=CCSC/C(C)=C/Cl	387823984	PTFNTCHRZWSCCI-FNORWQNLSA-N	162.685	3.048	30	20	AGED	
C=CC[C@H](C)[C@H](C)NC1(C2CC2)CC1	389330347	UVICSMJGMCZCHT-QWRGUYRKSA-N	193.334	3.119	30	20	AGED	
CC[C@H](CC#N)NCCC(C)(C)CC	594008939	QNBBSXPHWQGXAM-LLVKDONJSA-N	196.338	3.095	30	20	AGED	
CC[C@H](C)NN=C1CC[C@H](C)[C@@H](C)C1	790182018	HPVOZGFRWWMNNL-DCAQKATOSA-N	196.338	3.187	30	20	AGED