smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccnc(N[C@H](C)C2CCC2)n1	160063803	PIOBWVJIVBBOGH-SECBINFHSA-N	191.278	2.386	70	20	AEID	
C[C@H]1CCC[C@H](CNC(=O)N(C)C)C1	218048110	FQJIFYOSXUZSNN-UWVGGRQHSA-N	198.310	2.084	70	20	AEID	
Cc1cc(C)nc(NC2(C)CCC2)n1	160438521	ICSNVIJJRUBBOJ-UHFFFAOYSA-N	191.278	2.448	70	20	AEID	
CC(C)COC(=O)c1ccncc1F	161433947	YYEMLYRKHMNBLW-UHFFFAOYSA-N	197.209	2.034	70	20	AEID	
Cc1cc(C)c(S(=O)(=O)F)s1	238850620	CBALISWZCKPLRP-UHFFFAOYSA-N	194.252	2.023	70	20	AEID	
Cc1cc(C)cc([B-](F)(F)F)c1	203320743	XFXVBQZQTLSUNM-UHFFFAOYSA-N	172.966	2.358	70	20	AEID	
C[C@H](O)C[C@H]1CCCCN1CC1CC1	159980846	KGDFGHMCXPBXQZ-CMPLNLGQSA-N	197.322	2.022	70	20	AEID	
COC(=O)[C@@H](C)CC1CCCC1	218169969	UWDYYLFVLFRSCE-QMMMGPOBSA-N	170.252	2.376	70	20	AEID	
CC[C@H](OC)c1nc(C(C)C)no1	218591401	SCNCLSNXAGAGLK-ZETCQYMHSA-N	184.239	2.291	70	20	AEID	
CC(C)C[C@H](C)NC(=O)N1CCCC1	159490142	LBBJAXHINJKCMC-JTQLQIEISA-N	198.310	2.226	70	20	AEID	
C[C@H](N)[C@@H]1CCN(CCC(C)(C)C)C1	160573246	RLKATGDXMOIGFX-WDEREUQCSA-N	198.354	2.092	70	20	AEID	
CC(C)NC(=O)N1CC[C@H](C)[C@H](C)C1	160862816	DWPAGDOAVZKFJM-VHSXEESVSA-N	198.310	2.082	70	20	AEID	
CC(C)CN(C)C(=O)[C@H]1CC=CCC1	218395954	VIMWCDQJNOAHOH-NSHDSACASA-N	195.306	2.457	70	20	AEID	
Cc1cnccc1CNCC1CCC1	160597108	NQRBQAZEXSDHLB-UHFFFAOYSA-N	190.290	2.280	70	20	AEID	
CCN(C)C(=O)c1cccc(C)c1F	161445129	KGUMJALENXMLFI-UHFFFAOYSA-N	195.237	2.226	70	20	AEID	
CC(C)c1noc([C@@H](C)NC2CC2)n1	218590333	KPLMKIFJVDUATK-SSDOTTSWSA-N	195.266	2.006	70	20	AEID	
Cc1ccccc1C(=O)NC1CCC1	218229152	OPKIPZNTVNVJMX-UHFFFAOYSA-N	189.258	2.277	70	20	AEID	
COC(=O)c1cc2cccc(F)c2o1	217999313	ONADHEDUCYVSCD-UHFFFAOYSA-N	194.161	2.359	70	20	AEID	
C[C@H]1CCC[C@@H](S(=O)(=O)Cl)C1	88251645	DMIRYBXAVYPDPN-NKWVEPMBSA-N	196.699	2.134	70	20	AEID	
CC(C)=CCN1CCC[C@H]1C[C@@H](C)O	159370513	SQOPACGUQLCLRM-NEPJUHHUSA-N	197.322	2.188	70	20	AEID	
C[C@@H](O)C[C@H]1CCCN1CCC1CC1	159367455	ZCVKNCWYSLBZPL-ZYHUDNBSSA-N	197.322	2.022	70	20	AEID	
CCC[C@@H]1C[C@H]1NC(=O)N(CC)CC	218005853	LMDFFXTUSJCERX-NXEZZACHSA-N	198.310	2.226	70	20	AEID	
Cc1cccc(NC(=O)C(F)F)c1	217593182	FNHILJLIGVKVRB-UHFFFAOYSA-N	185.173	2.199	70	20	AEID	
CC(C)(C)CCN1CC[C@@H](CCN)C1	160049190	KTYDSBFPKPJHBJ-LLVKDONJSA-N	198.354	2.093	70	20	AEID	
CC(C)C[C@@H](C)NC(=O)N1CCCC1	159490046	LBBJAXHINJKCMC-SNVBAGLBSA-N	198.310	2.226	70	20	AEID	
Cc1nnc(N[C@@H](C)C2CCC2)s1	160066193	GAXDZPZLCKQPPL-LURJTMIESA-N	197.307	2.447	70	20	AEID	
CCN(CC)C(=O)[C@@H](C)C(F)(F)F	218491839	MKNGHVXMGMNWHT-ZCFIWIBFSA-N	197.200	2.053	70	20	AEID	
C[C@H](NC(=O)NC1CCC1)C1CCC1	160199715	ULFMZMZZICULJR-QMMMGPOBSA-N	196.294	2.027	70	20	AEID	
CSCC[C@@H](C)NCC(C)C	161059798	ASQOHPGBPYVRPP-SECBINFHSA-N	175.341	2.374	70	20	AEID	
CCCCN(CCO)[C@@H]1C=CCCC1	161123220	NYPKFJTVEQLDBB-GFCCVEGCSA-N	197.322	2.190	70	20	AEID	
Cc1cc(C)nc(NC2CC(C)C2)n1	160434093	IINHAGCWGCEJEM-UHFFFAOYSA-N	191.278	2.304	70	20	AEID	
CCC[C@H](CCO)CNCC(C)C	218119071	RWEBFDXMASVHEZ-LLVKDONJSA-N	187.327	2.031	70	20	AEID	
C[C@@H]1CCCCN1c1ccccn1	217035401	ACLHMTUUTCLYMP-SNVBAGLBSA-N	176.263	2.460	70	20	AEID	
CCC(CC)CN1CC[C@@H]([C@@H](C)N)C1	160575442	GUFMCBTZCXNZLB-ZYHUDNBSSA-N	198.354	2.092	70	20	AEID	
CCC[C@@H](O)CN1CCC[C@@H](C)CC1	216828996	CVUVUFQYHNVOTF-VXGBXAGGSA-N	199.338	2.269	70	20	AEID	
CCC[C@@H](O)CNCCCC(C)C	217904536	YKQSHSPCTWUCLX-LLVKDONJSA-N	187.327	2.173	70	20	AEID	
CCNC(=O)NC[C@@H]1CCC[C@H](C)C1	218003116	OQTJGGFQPDHWED-VHSXEESVSA-N	198.310	2.132	70	20	AEID	
CC[C@H](O)CCN[C@@H]1CCC[C@@H](C)C1	217873036	FLIKGNKPAPWVLI-UTUOFQBUSA-N	199.338	2.316	70	20	AEID	
CCCCNC(=O)NC1(C)CCC1	159964036	PHNAESDZCMVCEX-UHFFFAOYSA-N	184.283	2.028	70	20	AEID	
Cc1cccnc1CS[C@H](C)CO	161176304	FXDGAEKDVFXZOY-SECBINFHSA-N	197.303	2.004	70	20	AEID	
Oc1cc(F)cc(CN2CCCC2)c1	159811462	HCFVOOMWBFBLKA-UHFFFAOYSA-N	195.237	2.127	70	20	AEID	
CC[C@H]1CC[C@H](S(=O)(=O)Cl)C1	112596031	HAYUYJZSJGWVLP-BQBZGAKWSA-N	196.699	2.134	70	20	AEID	
CCC(CC)CN1CC[C@H]([C@@H](C)N)C1	160575313	GUFMCBTZCXNZLB-PWSUYJOCSA-N	198.354	2.092	70	20	AEID	
CCCCOC(=O)CCn1cccc1	218331157	SDQIMXGKLXLDBZ-UHFFFAOYSA-N	195.262	2.222	70	20	AEID	
CCOc1cc2c(cc1F)NCC2	159838498	LUPKTSWWARHLAJ-UHFFFAOYSA-N	181.210	2.192	70	20	AEID	
CC(C)(C)CCCN1CCC[C@@H](N)C1	217844142	VYEYNBGKJPWRNM-LLVKDONJSA-N	198.354	2.236	70	20	AEID	
CC(C)CCCN1CC[C@H]([C@@H](C)N)C1	160600692	FYIPSOSDCCDBCJ-NEPJUHHUSA-N	198.354	2.092	70	20	AEID	
CCC(=O)NC[C@@H]1CCC[C@H](C)C1	218008076	RIIUTEANMSIURM-VHSXEESVSA-N	183.295	2.339	70	20	AEID	
CC[C@@H](C1CCC1)S(=O)(=O)Cl	307618880	VCFONOCDHIBLPT-ZETCQYMHSA-N	196.699	2.134	70	20	AEID	
Cc1ccccc1NC(=O)C(F)F	217593321	WUTIRIXORUYZKE-UHFFFAOYSA-N	185.173	2.199	70	20	AEID	
CC[C@H](CCO)NCCC(C)(C)C	217698912	UGBYKMPRZZKDTH-SNVBAGLBSA-N	187.327	2.173	70	20	AEID	
C[C@H](O)CCN(C)[C@@H]1CCC[C@@H](C)C1	216960564	BTCJOSMGVOTPMI-GRYCIOLGSA-N	199.338	2.268	70	20	AEID	
CO[C@H]1C[C@@H](NCC(C)C)C1(C)C	218120838	HTHYWHCDFGIMTJ-ZJUUUORDSA-N	185.311	2.046	70	20	AEID	
C[C@@H](Nc1ncc(F)cn1)C1CCC1	160069098	QSDGMAOFEPNBHA-SSDOTTSWSA-N	195.241	2.216	70	20	AEID	
CC[C@H]1CCCCN1C(=O)C(F)F	217590396	CCSXVZTZIPWPLA-ZETCQYMHSA-N	191.221	2.043	70	20	AEID	
C[C@@H](O)C[C@@H]1CCCCN1CC1CC1	159980738	KGDFGHMCXPBXQZ-PWSUYJOCSA-N	197.322	2.022	70	20	AEID	
CCN[C@H](C)[C@H](OC)c1ccccc1	160740863	UBEJVMFWKIOFBI-PWSUYJOCSA-N	193.290	2.372	70	20	AEID	
COc1cccnc1NCC1CCC1	160201592	WMXYJOCSYUFFRC-UHFFFAOYSA-N	192.262	2.302	70	20	AEID	
C[C@H](O)C[C@@H]1CCCCN1CC1CC1	159980607	KGDFGHMCXPBXQZ-JQWIXIFHSA-N	197.322	2.022	70	20	AEID	
CC[C@@H]1CC[C@@H](C)N1C(=O)NC1CC1	161482445	FBDAMHBNDLEMFL-PSASIEDQSA-N	196.294	2.121	70	20	AEID	
Cn1cc(OCCC(C)(C)C)cn1	161360451	IDLGNMYQVXMGAX-UHFFFAOYSA-N	182.267	2.235	70	20	AEID	
COC(=O)C[C@H](C)SC1CCC1	161184966	UDSBHOOSQBTSRX-ZETCQYMHSA-N	188.292	2.224	70	20	AEID	
CC(C)CCCOc1cnn(C)c1	161352570	IVDROOSXVAKOAO-UHFFFAOYSA-N	182.267	2.235	70	20	AEID	
Cc1nsc(NC2CC(C)C2)n1	161422260	DMKRDKRCZDOUFL-UHFFFAOYSA-N	183.280	2.057	70	20	AEID	
CCNC(=O)NC[C@H]1CCC[C@H](C)C1	218003200	OQTJGGFQPDHWED-UWVGGRQHSA-N	198.310	2.132	70	20	AEID	
O=C(CC1CC1)N1[C@H]2C=CC[C@H]1CC2	218747552	KSUFLUVODIZSBC-QWRGUYRKSA-N	191.274	2.106	70	20	AEID	
Cc1cnc(NCCC2CCC2)nc1	160435353	CPBZXHPWPDGHLG-UHFFFAOYSA-N	191.278	2.387	70	20	AEID	
C[C@H](NC(=O)NC(C)(C)C)C1CCC1	160033986	PPHQNFKDXWZXCZ-QMMMGPOBSA-N	198.310	2.273	70	20	AEID	
CC[C@@H]1CC[C@H](C)N1C(=O)NC1CC1	161482187	FBDAMHBNDLEMFL-WCBMZHEXSA-N	196.294	2.121	70	20	AEID	
CCN(C)C(=O)c1sccc1C	218396286	QNKFBGCQUUFYJI-UHFFFAOYSA-N	183.276	2.148	70	20	AEID	
CO[C@@H]1CCCC[C@H]1N[C@@H](C)C1CC1	218014719	FNIDZOZTNATDMF-MVWJERBFSA-N	197.322	2.332	70	20	AEID	
CCNc1nccc2occc12	217844887	ZSLHZNZYIMTWMJ-UHFFFAOYSA-N	162.192	2.260	70	20	AEID	
CC[C@H](O)CCNCCC(C)(C)C	218757718	IQAGWMWYZCKUNL-JTQLQIEISA-N	187.327	2.173	70	20	AEID	
CCCC[C@H](SC)C(=O)OC	160691370	WVOPIXDZRHGUGU-ZETCQYMHSA-N	176.281	2.081	70	20	AEID	
CCN(CC)C(=O)N[C@@H](C)C1CCC1	160110358	WPRBHPMVHKIAQX-VIFPVBQESA-N	198.310	2.226	70	20	AEID	
CCC(CC)CSc1ncn[nH]1	217528564	FBVCJBNRCLBBCZ-UHFFFAOYSA-N	185.296	2.333	70	20	AEID	
C[C@H](NC[C@@H]1C[C@H]1C)c1ccccn1	160888605	HRPCOOQBHPYZTL-VWYCJHECSA-N	190.290	2.388	70	20	AEID	
CC(=O)c1cccn1C1CC1	216812404	PSKMQFHVXABWFD-UHFFFAOYSA-N	149.193	2.026	70	20	AEID	
CC(C)CCCN[C@H]1C[C@@H](O)C1(C)C	159555333	MKIMVVMUVZHWQJ-WDEREUQCSA-N	199.338	2.172	70	20	AEID	
C[C@H](NCc1cc[nH]c1)C1CCC1	160176408	LYGIXVYPBKSOSQ-VIFPVBQESA-N	178.279	2.293	70	20	AEID	
O=C(OC1CCCC1)c1ccc[nH]1	218270478	WRJAQRIQKBHDCR-UHFFFAOYSA-N	179.219	2.114	70	20	AEID	
C[C@H](Nc1ncccn1)C1CCC1	160072161	AJKVTXYHACMSCK-QMMMGPOBSA-N	177.251	2.077	70	20	AEID	
Cc1nnc(N[C@H](C)C2CCC2)s1	160066331	GAXDZPZLCKQPPL-ZCFIWIBFSA-N	197.307	2.447	70	20	AEID	
CCCNC(=N)NCC(C)(C)C(C)C	218744368	HHFSFPYINBJIQW-UHFFFAOYSA-N	199.342	2.193	70	20	AEID	
CCC[C@H](C1CC1)S(=O)(=O)Cl	307741907	SBYDQETYEJCDNL-SSDOTTSWSA-N	196.699	2.134	70	20	AEID	
CCNCCNCC1CCCCCC1	161298832	QEOINGRVZFTAOY-UHFFFAOYSA-N	198.354	2.156	70	20	AEID	
CC(C)CCCN[C@@H]1CCCNCC1	160670029	ILZPHOMXDKZCQO-GFCCVEGCSA-N	198.354	2.154	70	20	AEID	
CCC[C@H](CC)N[C@@H]1CCCNCC1	160676507	QQZZAMMMMZMBAU-NWDGAFQWSA-N	198.354	2.297	70	20	AEID	
CC[C@@](C)(CCO)NCCC(C)C	218111023	HRABXKPHLMRWHG-NSHDSACASA-N	187.327	2.173	70	20	AEID	
CC1(C)CCC[C@@H]1S(=O)(=O)Cl	125187914	JBLMTRUVEYNVMR-LURJTMIESA-N	196.699	2.134	70	20	AEID	
C[C@@H](O)C[C@H]1CCCCN1CC1CC1	159980951	KGDFGHMCXPBXQZ-ZYHUDNBSSA-N	197.322	2.022	70	20	AEID	
CCCNC(=O)N1CC[C@@H](C)[C@H](C)C1	160863412	UFMBMRDIZILXLO-NXEZZACHSA-N	198.310	2.084	70	20	AEID	
CC(C)CN(C)CCc1ccccn1	218135469	WSBMSUKINDUGFU-UHFFFAOYSA-N	192.306	2.212	70	20	AEID	
CCC(CC)CN(C)C(C)(C)CO	161046605	CZYOQPJURKIDRX-UHFFFAOYSA-N	187.327	2.125	70	20	AEID	
CCc1ccc(NC(=O)C(F)F)cc1	217628193	BJZAFKAVXLSANW-UHFFFAOYSA-N	199.200	2.453	70	20	AEID	
CCN(C)C(=O)N[C@@H](C)CC(C)C	159541353	MZRQKHODBLUJIV-VIFPVBQESA-N	186.299	2.082	70	20	AEID	
C[C@@H](CC1CCC1)S(=O)(=O)Cl	135264357	UPOLDINXDCNNKO-LURJTMIESA-N	196.699	2.134	70	20	AEID	
Cc1nccc(N[C@H](C)C2CCC2)n1	160066038	FVIJKKIAMNCPTD-MRVPVSSYSA-N	191.278	2.386	70	20	AEID	
CC[C@@H](O)CN(C)[C@@H]1CCC[C@@H](C)C1	218593039	QLPKLBPDSPMNDI-IJLUTSLNSA-N	199.338	2.268	70	20	AEID	
CC(C)CCCN1CC[C@H](CCN)C1	160050812	MLMGJEPPPZUDOK-LBPRGKRZSA-N	198.354	2.093	70	20	AEID	
C[C@H]1CCC[C@@H](CNC(=O)N(C)C)C1	218047974	FQJIFYOSXUZSNN-VHSXEESVSA-N	198.310	2.084	70	20	AEID	
COCC(C)(C)CNCC(C)(C)C	218544891	OFORDIHHYUVPFR-UHFFFAOYSA-N	187.327	2.295	70	20	AEID	
CC[C@@H](C)OC(=O)c1ccncc1F	161435340	YMSVJBILBBOOSI-SSDOTTSWSA-N	197.209	2.176	70	20	AEID	
C[C@@H](O)C[C@@H]1CCCN1CCC1CC1	159367154	ZCVKNCWYSLBZPL-PWSUYJOCSA-N	197.322	2.022	70	20	AEID	
CC(C)c1noc([C@H]2CCCO2)n1	218590954	OKNDTMQOEHWMCS-SSDOTTSWSA-N	182.223	2.045	70	20	AEID	
Cc1cccc(CS[C@H](C)CO)n1	160765157	ZSODPORESAJFDR-SECBINFHSA-N	197.303	2.004	70	20	AEID	
CCSCCn1ccnc1CC	160238589	ZEHCLKAYISESLF-UHFFFAOYSA-N	184.308	2.199	70	20	AEID	
CCCCNC(=O)N[C@@H](C)C1CCC1	160032366	IZERQGMIPRBVGY-VIFPVBQESA-N	198.310	2.274	70	20	AEID	
CC[C@H]1CC[C@@H](S(=O)(=O)Cl)C1	112596034	HAYUYJZSJGWVLP-NKWVEPMBSA-N	196.699	2.134	70	20	AEID	
COc1cccnc1NC1CCC1	159500695	CVYHBCNQSMYJIG-UHFFFAOYSA-N	178.235	2.055	70	20	AEID	
COc1cccnc1NC1CCCC1	159454795	BXEOZBYGTXEJCQ-UHFFFAOYSA-N	192.262	2.445	70	20	AEID	
C[C@H]1C[C@@H](NC(=O)N(C)C)CC[C@H]1C	159716343	AVUPXJAOTNPUKI-UTLUCORTSA-N	198.310	2.082	70	20	AEID	
CCC[C@H](CC)C(=O)N(C)CC	218023436	TXGDLBWGHPOCIW-VIFPVBQESA-N	171.284	2.291	70	20	AEID	
Cc1ccccc1C(=O)NCCCF	218229575	NRIXUJIXKGYQBV-UHFFFAOYSA-N	195.237	2.084	70	20	AEID	
C[C@@H](NCc1cc[nH]c1)C1CCC1	160176507	LYGIXVYPBKSOSQ-SECBINFHSA-N	178.279	2.293	70	20	AEID	
CCc1nsc(NC2(C)CCC2)n1	161425707	MWDWHATWVYITKJ-UHFFFAOYSA-N	197.307	2.455	70	20	AEID	
C[C@H](NCC1CC1)c1cscn1	161151918	YKODHWAZEVEOKM-ZETCQYMHSA-N	182.292	2.204	70	20	AEID	
CC[C@@H]1CC[C@@H](S(=O)(=O)Cl)C1	112596032	HAYUYJZSJGWVLP-RNFRBKRXSA-N	196.699	2.134	70	20	AEID	
CC[C@@H](OC)c1nc(C(C)C)no1	218591463	SCNCLSNXAGAGLK-SSDOTTSWSA-N	184.239	2.291	70	20	AEID	
CCCC[C@H](C)N[C@@H]1CCCNCC1	160677006	USIIXLHVMSNBTR-NWDGAFQWSA-N	198.354	2.297	70	20	AEID	
Cn1cccc1CNC[C@H]1CC1(C)C	217806619	YTQBNZIPBJWHKR-SNVBAGLBSA-N	192.306	2.161	70	20	AEID	
CC[C@H]1CNc2ccc(O)cc21	218124307	BDFDCYRHRSZLRG-ZETCQYMHSA-N	163.220	2.311	70	20	AEID	
CCSCc1ncc(CC)o1	218426832	HWYDQTAMYLXJPK-UHFFFAOYSA-N	171.265	2.490	70	20	AEID	
CC(C)CCCN[C@H]1C[C@H](O)C1(C)C	159555050	MKIMVVMUVZHWQJ-QWRGUYRKSA-N	199.338	2.172	70	20	AEID	
C[C@H]1CCCC[C@@H]1S(=O)(=O)Cl	88251598	NYXIZHREBQGNOF-BQBZGAKWSA-N	196.699	2.134	70	20	AEID	
CCCCN(CCO)[C@H]1C=CCCC1	161123093	NYPKFJTVEQLDBB-LBPRGKRZSA-N	197.322	2.190	70	20	AEID	
CC(C)(C)CCN1CC[C@H](CCN)C1	160049038	KTYDSBFPKPJHBJ-NSHDSACASA-N	198.354	2.093	70	20	AEID	
Cc1cccnc1CS[C@@H](C)CO	161176172	FXDGAEKDVFXZOY-VIFPVBQESA-N	197.303	2.004	70	20	AEID	
CCC(=O)NC[C@H]1CCC[C@@H](C)C1	218007992	RIIUTEANMSIURM-ZJUUUORDSA-N	183.295	2.339	70	20	AEID	
C[C@H](C1CCCC1)S(=O)(=O)Cl	107588407	OWWWPSOVKLQCCG-ZCFIWIBFSA-N	196.699	2.134	70	20	AEID	
CCN[C@H](C)C1(OC)CCCCC1	160397545	PUVHYGZLXREVAW-SNVBAGLBSA-N	185.311	2.334	70	20	AEID	
C[C@H]1CCCCN1c1ccccn1	217035441	ACLHMTUUTCLYMP-JTQLQIEISA-N	176.263	2.460	70	20	AEID	
CCCOC(=O)[C@@H](C)C(F)(F)F	218476859	NOQDJBUIMXFYDJ-RXMQYKEDSA-N	184.157	2.138	70	20	AEID	
CCCC[C@H](CC)Cn1ccnn1	218384727	MLPSDPIKLZHEHI-JTQLQIEISA-N	181.283	2.495	70	20	AEID	
CCN(CC)C(=O)N[C@H](C)C1CCC1	160110471	WPRBHPMVHKIAQX-SECBINFHSA-N	198.310	2.226	70	20	AEID	
CCN(CC)C(=O)[C@H](C)C(F)(F)F	218491892	MKNGHVXMGMNWHT-LURJTMIESA-N	197.200	2.053	70	20	AEID	
CCCC(=O)N[C@H](C)C1CCC1	160203190	MGRUHZYROATVPT-MRVPVSSYSA-N	169.268	2.091	70	20	AEID	
Cc1nsc(N[C@@H](C)C2CCC2)n1	160066749	YQXFWYQUSGKMON-LURJTMIESA-N	197.307	2.447	70	20	AEID	
CCCCNC(=O)N[C@H](C)C1CCC1	160032489	IZERQGMIPRBVGY-SECBINFHSA-N	198.310	2.274	70	20	AEID	
Cc1cnccc1CN[C@H](C)C1CC1	160599760	ZJRMCJHCSFRWAW-SNVBAGLBSA-N	190.290	2.278	70	20	AEID	
Oc1ccc([B-](F)(F)F)c(Cl)c1	238722224	IJHWCTHQOOSDND-UHFFFAOYSA-N	195.356	2.100	70	20	AEID	
C[C@H](CC(C)(C)C)S(=O)(=O)Cl	307260762	UCARSPYMPZJRAC-ZCFIWIBFSA-N	198.715	2.380	70	20	AEID	
CCC(CC)c1nnc(C)o1	218768128	NJWFATAHSVMWAF-UHFFFAOYSA-N	154.213	2.282	70	20	AEID	
CCC(CC)CN(C)CC[C@H](C)O	161046870	QOBUXFUTFTYBRA-JTQLQIEISA-N	187.327	2.125	70	20	AEID	
CCC1(CS(=O)(=O)Cl)CCC1	213992842	USSSSRNKEOAMDH-UHFFFAOYSA-N	196.699	2.135	70	20	AEID	
CC1(NC(=O)OC(C)(C)C)CCC1	159989361	PGFMVVANRBIVFJ-UHFFFAOYSA-N	185.267	2.454	70	20	AEID	
CC(C)C(C(C)C)S(=O)(=O)Cl	307265292	DLVCTBZAWYZSEY-UHFFFAOYSA-N	198.715	2.236	70	20	AEID	
CC[C@@H](C)NCc1ccncc1C	160597244	LPNAAVFYOFUJSO-SNVBAGLBSA-N	178.279	2.278	70	20	AEID	
CCCNC(=O)N1CC[C@@H](C)[C@@H](C)C1	160863591	UFMBMRDIZILXLO-ZJUUUORDSA-N	198.310	2.084	70	20	AEID	
Cc1ccncc1NC(=O)CC(C)C	218062727	RLWOTDOCJIADFG-UHFFFAOYSA-N	192.262	2.375	70	20	AEID	
CCC[C@H](O)CN1CCC[C@@H](C)CC1	216829033	CVUVUFQYHNVOTF-NEPJUHHUSA-N	199.338	2.269	70	20	AEID	
COc1cccnc1NCC(C)C	159449961	KOAFASXYSIIPNR-UHFFFAOYSA-N	180.251	2.158	70	20	AEID	
CCC[C@@H](CC)N[C@H]1CCCNCC1	160676624	QQZZAMMMMZMBAU-NEPJUHHUSA-N	198.354	2.297	70	20	AEID	
COc1cccnc1N[C@@H]1CC1(C)C	160223964	QKYRTJRURFRTKZ-SECBINFHSA-N	192.262	2.301	70	20	AEID	
COc1ccccc1OCCSC	217834397	SXHVDVUQNPLFFP-UHFFFAOYSA-N	198.287	2.437	70	20	AEID	
C/C=C/C[B-](F)(F)F	195963385	ZIEHKTGXSQCVOA-NSCUHMNNSA-N	122.906	2.410	70	20	AEID	
C[C@H](NC(=O)c1ccco1)C1CCC1	160201321	NVORSKIKXIEPRD-QMMMGPOBSA-N	193.246	2.198	70	20	AEID	
CC(C)CCCN[C@@H]1C[C@@H](O)C1(C)C	159555201	MKIMVVMUVZHWQJ-GHMZBOCLSA-N	199.338	2.172	70	20	AEID	
CCCCCCN1CC[C@@H](O)[C@H](C)C1	159411518	SDIKBBOVKURVFM-VXGBXAGGSA-N	199.338	2.269	70	20	AEID	
CCC(CC)CN1CC[C@H]([C@@H](C)O)C1	159473621	YCDAWLKRUVUOFP-PWSUYJOCSA-N	199.338	2.125	70	20	AEID	
CC[C@H](C)CN[C@H](C)CSC	161508369	QNTMEUBVXVCRPH-DTWKUNHWSA-N	175.341	2.374	70	20	AEID	
CCCCCCN1CCC[C@@](C)(O)C1	161000129	NGKBWCXGBXJXCE-GFCCVEGCSA-N	199.338	2.414	70	20	AEID	
O=C(NC1CCCCCC1)C(F)F	217631949	NFZKAOQMAFTSHZ-UHFFFAOYSA-N	191.221	2.091	70	20	AEID	
CC[C@@H](C)N(C)Cc1ccc(CO)o1	161159087	PUJRPXSIEXYWRR-SECBINFHSA-N	197.278	2.002	70	20	AEID	
CC[C@H]1CCC[C@@H]1S(=O)(=O)Cl	135262472	PSUIFEGHKKRBNY-BQBZGAKWSA-N	196.699	2.134	70	20	AEID	
CCN(Cc1ccc(CO)o1)C(C)C	161156756	JVRJVSROKUTRFN-UHFFFAOYSA-N	197.278	2.002	70	20	AEID	
CCCCN1CCC[C@@H]1C[C@@H](C)O	159369468	IXZLFDWWCQMCGV-GHMZBOCLSA-N	185.311	2.022	70	20	AEID	
CCCCC(=O)N1[C@H]2C=CC[C@H]1CC2	218687793	NORHJMGZALKAEB-QWRGUYRKSA-N	193.290	2.496	70	20	AEID	
Cc1cnc(NC[C@H](C)C2CC2)nc1	160423619	QVPMFNZSXWHWTL-VIFPVBQESA-N	191.278	2.243	70	20	AEID	
c1ccc2c(c1)ncn2Cc1ccno1	160869732	XSDBTXSIVCYRIQ-UHFFFAOYSA-N	199.213	2.073	70	20	AEID	
C[C@H]1CCCC[C@H]1S(=O)(=O)Cl	88251601	NYXIZHREBQGNOF-NKWVEPMBSA-N	196.699	2.134	70	20	AEID	
CC[C@H]1CCC[C@H]1S(=O)(=O)Cl	135262512	PSUIFEGHKKRBNY-NKWVEPMBSA-N	196.699	2.134	70	20	AEID	
CC[C@@H]1CCC[C@H]1S(=O)(=O)Cl	135262493	PSUIFEGHKKRBNY-RNFRBKRXSA-N	196.699	2.134	70	20	AEID	
CCCOc1ccnc(NC(C)C)n1	159583147	QXATXDQPDQWZTL-UHFFFAOYSA-N	195.266	2.086	70	20	AEID	
CC(C)c1noc(C2CCOCC2)n1	218588950	SOFLMWHRCIBOLD-UHFFFAOYSA-N	196.250	2.087	70	20	AEID	
CCC[C@@H](CC)N[C@@H]1CCCNCC1	160676374	QQZZAMMMMZMBAU-VXGBXAGGSA-N	198.354	2.297	70	20	AEID	
CC[C@H]1CCCN1C[C@@H](O)C(C)(C)C	216865677	LAOMXZKDXWZJIU-WDEREUQCSA-N	199.338	2.268	70	20	AEID	
C[C@H](Nc1ncc(F)cn1)C1CCC1	160068976	QSDGMAOFEPNBHA-ZETCQYMHSA-N	195.241	2.216	70	20	AEID	
CCC(CC)COc1cnn(C)c1	161365855	MPTDNRUAOVEZFI-UHFFFAOYSA-N	182.267	2.235	70	20	AEID	
CCC(CC)CN1CCC[C@@](C)(O)C1	161293986	HIVLQHSJDGPUIN-GFCCVEGCSA-N	199.338	2.269	70	20	AEID	
COCCCCCNCC(C)(C)C	218169310	DLPRRMGEUZYOLR-UHFFFAOYSA-N	187.327	2.439	70	20	AEID	
Cc1noc2c(F)cccc12	218051899	NPNOMEWVRJCNBG-UHFFFAOYSA-N	151.140	2.275	70	20	AEID	
Cc1ccc(NC(=O)C(F)F)cc1	217598885	VWPVYXZAVWNTCZ-UHFFFAOYSA-N	185.173	2.199	70	20	AEID	
CSC(C)(C)CNCC(C)C	161061707	FIMQDQXBDWKPRR-UHFFFAOYSA-N	175.341	2.374	70	20	AEID	
CC[C@H](C)CNC[C@](C)(O)C(C)C	161499936	WWAOPENMHWTNOG-QWRGUYRKSA-N	187.327	2.029	70	20	AEID	
C[C@@H](O)[C@@H]1CCN(CCC(C)(C)C)C1	159465929	YVWHIHJOZXOKLQ-GHMZBOCLSA-N	199.338	2.125	70	20	AEID	
CCN(CC(C)(C)O)[C@H]1C=CCCC1	161239293	ODFBWZDHTXHPBK-NSHDSACASA-N	197.322	2.188	70	20	AEID	
CC[C@H](C)[C@@H](C)N1CCC[C@@H](CN)C1	217500932	XQNPILMPLWAGLS-TUAOUCFPSA-N	198.354	2.092	70	20	AEID	
COC(=O)[C@H](C)CC1CCCC1	218170052	UWDYYLFVLFRSCE-MRVPVSSYSA-N	170.252	2.376	70	20	AEID	
Cc1cc(N[C@H](C)C2CCC2)ncn1	160064355	RHTULEBHHRAJOG-SECBINFHSA-N	191.278	2.386	70	20	AEID	
CC(C)C[C@H](C)NC(=O)NC1CCC1	159403225	LZNAZGSTWWYHSH-VIFPVBQESA-N	198.310	2.273	70	20	AEID	
CCCCNC(=O)N1CC=C(C)CC1	160031065	KSYHUEFSLPIQKR-UHFFFAOYSA-N	196.294	2.148	70	20	AEID	
Cc1cccc(CS[C@@H](C)CO)n1	160765050	ZSODPORESAJFDR-VIFPVBQESA-N	197.303	2.004	70	20	AEID	
CC[C@@H]1CC[C@H](S(=O)(=O)Cl)C1	112596029	HAYUYJZSJGWVLP-RQJHMYQMSA-N	196.699	2.134	70	20	AEID	
CCCC(=O)Nc1ccnn1C(C)C	217441087	CXIAOISYXRCNSU-UHFFFAOYSA-N	195.266	2.203	70	20	AEID	
CCCNC(=O)N1CC[C@H](C)[C@@H](C)C1	160863492	UFMBMRDIZILXLO-UWVGGRQHSA-N	198.310	2.084	70	20	AEID	
C[C@H](O)C[C@@H]1CCCN1CCC1CC1	159367007	ZCVKNCWYSLBZPL-JQWIXIFHSA-N	197.322	2.022	70	20	AEID	
C[C@H](CNCc1ccn(C)c1)C1CC1	160683048	ACAHZLQXEAMJJP-SNVBAGLBSA-N	192.306	2.161	70	20	AEID	
C#C[C@H](C)CCBr	168284496	CZUYKJFVAUEVTB-LURJTMIESA-N	161.042	2.041	70	20	AEID	
Cn1cccc1CNC[C@@H]1CC1(C)C	217806566	YTQBNZIPBJWHKR-JTQLQIEISA-N	192.306	2.161	70	20	AEID	
CC1=CC[C@H](S(=O)(=O)Cl)CC1	97972412	XJLDAKNKZYBQPO-ZETCQYMHSA-N	194.683	2.054	70	20	AEID	
C[C@H](NC(=O)C(C)(C)C)C1CCC1	160204119	PGMCAJKEESVSIH-QMMMGPOBSA-N	183.295	2.337	70	20	AEID	
COC(=O)NC[C@H]1CCC[C@@H](C)C1	218029291	CTORFUFPZUUCIG-BDAKNGLRSA-N	185.267	2.169	70	20	AEID	
CC[C@H](C)CNC[C@@](C)(O)C(C)C	161500140	WWAOPENMHWTNOG-WDEREUQCSA-N	187.327	2.029	70	20	AEID	
CCCC[C@@H](C)N(C)CCCCO	218721077	QOUHQOITWLQZHE-LLVKDONJSA-N	187.327	2.269	70	20	AEID	
CCCC1(CS(=O)(=O)Cl)CC1	307643562	PHXPJDHDXWQBJD-UHFFFAOYSA-N	196.699	2.135	70	20	AEID	
CC[C@H](C)N(C)C[C@@H](O)C(C)(C)C	216895909	SBBUZHRECALOSP-VHSXEESVSA-N	187.327	2.124	70	20	AEID	
C[C@@H](CNCc1ccn(C)c1)C1CC1	160682916	ACAHZLQXEAMJJP-JTQLQIEISA-N	192.306	2.161	70	20	AEID	
C[C@@H]1CCC[C@@H](S(=O)(=O)Cl)C1	88251643	DMIRYBXAVYPDPN-RNFRBKRXSA-N	196.699	2.134	70	20	AEID	
N#Cc1cccc(C[B-](F)(F)F)c1	169990754	WRBNQUJEJXXVOW-UHFFFAOYSA-N	183.949	2.487	70	20	AEID	
CC[C@@H](C)CN[C@@H](C)CSC	161508037	QNTMEUBVXVCRPH-BDAKNGLRSA-N	175.341	2.374	70	20	AEID	
C[C@H]1CCCN(c2ccccn2)C1	217861552	JOMNTGWLHKQFDP-JTQLQIEISA-N	176.263	2.318	70	20	AEID	
Cc1ccc(F)c(-c2nc(C)no2)c1	217648597	PBEKLTXHUKMGMY-UHFFFAOYSA-N	192.193	2.493	70	20	AEID	
CCc1ncnc(NCC2CC2)c1F	217964478	MANUMHTVQSLLIE-UHFFFAOYSA-N	195.241	2.000	70	20	AEID	
CCCN(C)C(=O)CC1CCCC1	218477028	XZXXFZPLOQZKQR-UHFFFAOYSA-N	183.295	2.435	70	20	AEID	
CCCCCCN1CC[C@H](CCN)C1	160044618	QHFCEHVAQMGPCY-LBPRGKRZSA-N	198.354	2.237	70	20	AEID	
CCC(CC)N(CC)CCCCO	218772928	KYYLTRQGMCKNAR-UHFFFAOYSA-N	187.327	2.269	70	20	AEID	
Cn1ccc(CNCCC2CCC2)c1	160690233	MXWWQXJLDLHIFT-UHFFFAOYSA-N	192.306	2.305	70	20	AEID	
CC[C@H]1CC[C@@H](C)N1C(=O)NC1CC1	161482560	FBDAMHBNDLEMFL-SCZZXKLOSA-N	196.294	2.121	70	20	AEID	
CO[C@H]1C[C@H](NCC(C)C)C1(C)C	218121020	HTHYWHCDFGIMTJ-UWVGGRQHSA-N	185.311	2.046	70	20	AEID	
CC(C)=CCC[C@@H](C)CCNCCO	216671879	SWZGINXCODXVEU-GFCCVEGCSA-N	199.338	2.341	70	20	AEID	
C[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl	88251596	NYXIZHREBQGNOF-RQJHMYQMSA-N	196.699	2.134	70	20	AEID	
C[C@@H]1CCCN1CCC(F)(F)F	218771831	YGCADNLWVOGLRS-SSDOTTSWSA-N	181.201	2.423	70	20	AEID	
CC[C@H](N[C@H]1CCCNCC1)C(C)C	160672962	HTYHMZUWTLQDDC-RYUDHWBXSA-N	198.354	2.153	70	20	AEID	
CCCNCCNCC(CC)CC	161339462	AHIVITBUGRWJFW-UHFFFAOYSA-N	186.343	2.012	70	20	AEID	
CC(C)=CCN1CCC[C@@H]1C[C@@H](C)O	159370815	SQOPACGUQLCLRM-VXGBXAGGSA-N	197.322	2.188	70	20	AEID	
COC(=O)NC[C@@H]1CCC[C@@H](C)C1	218029219	CTORFUFPZUUCIG-RKDXNWHRSA-N	185.267	2.169	70	20	AEID	
CC[C@H](C)[C@H](C)N1CCC[C@@H](CN)C1	217501101	XQNPILMPLWAGLS-SRVKXCTJSA-N	198.354	2.092	70	20	AEID	
C[C@@H](Nc1cnccn1)C1CCC1	160056970	WKNDZJINKXJHFJ-MRVPVSSYSA-N	177.251	2.077	70	20	AEID	
CCC(=O)NC[C@H]1CCC[C@H](C)C1	218008162	RIIUTEANMSIURM-UWVGGRQHSA-N	183.295	2.339	70	20	AEID	
CCCC[C@@H](CC)NCCCCO	218779744	ZRYPLPNDMDIQHV-LLVKDONJSA-N	187.327	2.317	70	20	AEID	
CCC(CC)CN1CC[C@@H](CCN)C1	160044510	RSHXLTNFDLFQNE-GFCCVEGCSA-N	198.354	2.093	70	20	AEID	
C[C@H](NC[C@H]1C[C@H]1C)c1ccccn1	160888318	HRPCOOQBHPYZTL-OUAUKWLOSA-N	190.290	2.388	70	20	AEID	
C=CCCC(C)(C)S(=O)(=O)Cl	97972406	NUDXVWQLXXVRSO-UHFFFAOYSA-N	196.699	2.300	70	20	AEID	
CCCC[C@@H](C)N[C@@H]1CCCNCC1	160676894	USIIXLHVMSNBTR-VXGBXAGGSA-N	198.354	2.297	70	20	AEID	
CCc1nsc(NC2CC(C)C2)n1	161422936	KMIWLYHLYSKQDT-UHFFFAOYSA-N	197.307	2.311	70	20	AEID	
CC1=CC[C@@H](S(=O)(=O)Cl)CC1	97972413	XJLDAKNKZYBQPO-SSDOTTSWSA-N	194.683	2.054	70	20	AEID	
CC1=CCN(C(=O)NC(C)(C)C)CC1	160031922	WTRSFQRVTVGJTO-UHFFFAOYSA-N	196.294	2.147	70	20	AEID	
CC[C@@H](C)CNC[C@@](C)(O)C(C)C	161500021	WWAOPENMHWTNOG-GHMZBOCLSA-N	187.327	2.029	70	20	AEID	
CCC[C@H](CC)N[C@H]1CCCNCC1	160676728	QQZZAMMMMZMBAU-RYUDHWBXSA-N	198.354	2.297	70	20	AEID	
CC[C@H](CCO)NCCCC(C)C	217842771	WZSYJHJJFYMFQF-LLVKDONJSA-N	187.327	2.173	70	20	AEID	
CC[C@H](C)N(C)Cc1ccc(CO)o1	161159176	PUJRPXSIEXYWRR-VIFPVBQESA-N	197.278	2.002	70	20	AEID	
CCCC[C@@H](C)N[C@H]1CCCNCC1	160677139	USIIXLHVMSNBTR-NEPJUHHUSA-N	198.354	2.297	70	20	AEID	
CCCOC(=O)[C@H](C)C(F)(F)F	218476926	NOQDJBUIMXFYDJ-YFKPBYRVSA-N	184.157	2.138	70	20	AEID	
Fc1cc(F)c([B-](F)(F)F)c(F)c1	195876449	CMHITZZNCPHXCG-UHFFFAOYSA-N	198.882	2.158	70	20	AEID	
Cc1cc(N[C@@H](C)C2CCC2)ncn1	160064220	RHTULEBHHRAJOG-VIFPVBQESA-N	191.278	2.386	70	20	AEID	
C[C@@H](N)[C@H]1CCN(CCC(C)(C)C)C1	160573631	RLKATGDXMOIGFX-MNOVXSKESA-N	198.354	2.092	70	20	AEID	
CCC[C@@H](CCO)CNCC(C)C	218118987	RWEBFDXMASVHEZ-NSHDSACASA-N	187.327	2.031	70	20	AEID	
CC1(NC(=O)NC2CCCC2)CCC1	159969727	POJDVAWKFJJENX-UHFFFAOYSA-N	196.294	2.171	70	20	AEID	
CCC(CC)CN1CCC[C@](C)(O)C1	161294117	HIVLQHSJDGPUIN-LBPRGKRZSA-N	199.338	2.269	70	20	AEID	
C[C@@H]1CCCN(c2ccccn2)C1	217861454	JOMNTGWLHKQFDP-SNVBAGLBSA-N	176.263	2.318	70	20	AEID	
CC[C@H](O)CN(C)[C@@H]1CCC[C@@H](C)C1	218593105	QLPKLBPDSPMNDI-UTUOFQBUSA-N	199.338	2.268	70	20	AEID	
CC[C@H](C)CN[C@@H](C)CSC	161508132	QNTMEUBVXVCRPH-IUCAKERBSA-N	175.341	2.374	70	20	AEID	
CCN[C@@H](C)C1(OC)CCCCC1	160397428	PUVHYGZLXREVAW-JTQLQIEISA-N	185.311	2.334	70	20	AEID	
COc1cccc(OCCSC)c1	217821833	UOEXTOAEYIMAMS-UHFFFAOYSA-N	198.287	2.437	70	20	AEID	
Cc1cc(NC2(C)CCC2)ncn1	159975361	ZWGVCNJACSTIGA-UHFFFAOYSA-N	177.251	2.140	70	20	AEID	
CCCCCCN1CCC[C@](C)(O)C1	161000277	NGKBWCXGBXJXCE-LBPRGKRZSA-N	199.338	2.414	70	20	AEID	
CC[C@H](C)OC(=O)c1ccncc1F	161435464	YMSVJBILBBOOSI-ZETCQYMHSA-N	197.209	2.176	70	20	AEID	
C=C([B-](F)(F)F)C(F)(F)F	299803923	LGHIWFDPWWDTFP-UHFFFAOYSA-N	162.849	2.492	70	20	AEID	
CC[C@@H]1CCC[C@@H]1S(=O)(=O)Cl	135262450	PSUIFEGHKKRBNY-RQJHMYQMSA-N	196.699	2.134	70	20	AEID	
CCCCNc1ncccc1OC	160195201	QCVKRITVCDWUPM-UHFFFAOYSA-N	180.251	2.302	70	20	AEID	
CCN(CC(C)(C)O)[C@@H]1C=CCCC1	161239416	ODFBWZDHTXHPBK-LLVKDONJSA-N	197.322	2.188	70	20	AEID	
CCCOC(=O)c1cnccc1Cl	161406550	RMWJOLMPDJTJJC-UHFFFAOYSA-N	199.637	2.302	70	20	AEID	
COc1cccnc1NCCC1CC1	160244920	LQYVGNLFMHTPIH-UHFFFAOYSA-N	192.262	2.302	70	20	AEID	
Cc1cnccc1CN[C@@H](C)C1CC1	160599656	ZJRMCJHCSFRWAW-JTQLQIEISA-N	190.290	2.278	70	20	AEID	
CC[C@@H](CCO)NCCCC(C)C	217842698	WZSYJHJJFYMFQF-NSHDSACASA-N	187.327	2.173	70	20	AEID	
CC[C@H](O)CCN[C@H]1CCC[C@@H](C)C1	217873191	FLIKGNKPAPWVLI-WOPDTQHZSA-N	199.338	2.316	70	20	AEID	
CCCN(CC)Cc1ccc(CO)o1	160962467	BYKFJSYMKDYGOJ-UHFFFAOYSA-N	197.278	2.004	70	20	AEID	
CC(C)CCCN[C@@H]1C[C@H](O)C1(C)C	159554919	MKIMVVMUVZHWQJ-MNOVXSKESA-N	199.338	2.172	70	20	AEID	
CCCCN1CCC[C@H]1C[C@@H](C)O	159369601	IXZLFDWWCQMCGV-MNOVXSKESA-N	185.311	2.022	70	20	AEID	
C[C@H](O)[C@H]1CCN(CCC(C)(C)C)C1	159466075	YVWHIHJOZXOKLQ-QWRGUYRKSA-N	199.338	2.125	70	20	AEID	
CCCNC(=O)c1cccc(C)c1F	161393293	FSQOFYGAPLDBCP-UHFFFAOYSA-N	195.237	2.274	70	20	AEID	
CCc1cccc(NC(=O)C(F)F)c1	217645644	YBCMEBBASJDPPG-UHFFFAOYSA-N	199.200	2.453	70	20	AEID	
CC[C@H](C)NCc1ccncc1C	160597339	LPNAAVFYOFUJSO-JTQLQIEISA-N	178.279	2.278	70	20	AEID	
NC(=O)c1ccc(-c2cccs2)o1	218427155	ATWKRIBDUUNNBP-UHFFFAOYSA-N	193.227	2.107	70	20	AEID	
CCCC(=O)N1[C@H]2C=CC[C@H]1CC2	218724835	QVTKYCHDBCCOHY-UWVGGRQHSA-N	179.263	2.106	70	20	AEID	
Cc1ccnc(N[C@@H](C)C2CCC2)n1	160063657	PIOBWVJIVBBOGH-VIFPVBQESA-N	191.278	2.386	70	20	AEID	
CC[C@@H]1CNc2ccc(O)cc21	218124223	BDFDCYRHRSZLRG-SSDOTTSWSA-N	163.220	2.311	70	20	AEID	
CC(C)NC(=N)NCC(C)(C)C(C)C	218744275	XWNJPQXDNMNNRE-UHFFFAOYSA-N	199.342	2.191	70	20	AEID	
CCC[C@H](CC)N[C@@H]1C[C@H](O)C1(C)C	159557712	BGJWAOQETDLFSL-AXFHLTTASA-N	199.338	2.314	70	20	AEID	
C[C@@H](N)[C@@H]1CCN(CCC(C)(C)C)C1	160573362	RLKATGDXMOIGFX-GHMZBOCLSA-N	198.354	2.092	70	20	AEID	
CC1=CCN(C(=O)C(C)(C)C)CC1	160174205	VIPIPLLSKBOQIX-UHFFFAOYSA-N	181.279	2.211	70	20	AEID	
CC[C@@H](O)CCNCCC(C)(C)C	218757667	IQAGWMWYZCKUNL-SNVBAGLBSA-N	187.327	2.173	70	20	AEID	
C[C@@H](NC(=O)c1ccco1)C1CCC1	160201453	NVORSKIKXIEPRD-MRVPVSSYSA-N	193.246	2.198	70	20	AEID	
Cc1nccc(N[C@@H](C)C2CCC2)n1	160065908	FVIJKKIAMNCPTD-QMMMGPOBSA-N	191.278	2.386	70	20	AEID	
CC(C)CCCN[C@H]1CCCNCC1	160670157	ILZPHOMXDKZCQO-LBPRGKRZSA-N	198.354	2.154	70	20	AEID	
C[C@@H](NCC1CC1)c1cscn1	161152009	YKODHWAZEVEOKM-SSDOTTSWSA-N	182.292	2.204	70	20	AEID	
Cc1nccc(NC2(C)CCC2)n1	159975516	AQXIGALWTQWNJZ-UHFFFAOYSA-N	177.251	2.140	70	20	AEID	
CC(C)NC(=O)N1CC[C@@H](C)[C@H](C)C1	160862718	DWPAGDOAVZKFJM-NXEZZACHSA-N	198.310	2.082	70	20	AEID	
CC[C@@H](C)CNC[C@](C)(O)C(C)C	161499835	WWAOPENMHWTNOG-MNOVXSKESA-N	187.327	2.029	70	20	AEID	
CC(C)C[C@@H](C)NC(=O)NC1CCC1	159403086	LZNAZGSTWWYHSH-SECBINFHSA-N	198.310	2.273	70	20	AEID	
C[C@H](NC[C@H]1C[C@@H]1C)c1ccccn1	160888459	HRPCOOQBHPYZTL-GARJFASQSA-N	190.290	2.388	70	20	AEID	
C[C@H](O)C[C@H]1CCCN1CCC1CC1	159367324	ZCVKNCWYSLBZPL-CMPLNLGQSA-N	197.322	2.022	70	20	AEID	
C[C@@H](O)[C@H]1CCN(CCC(C)(C)C)C1	159466212	YVWHIHJOZXOKLQ-MNOVXSKESA-N	199.338	2.125	70	20	AEID	
Cc1cnc(NC[C@@H](C)C2CC2)nc1	160423485	QVPMFNZSXWHWTL-SECBINFHSA-N	191.278	2.243	70	20	AEID	
CC(C)CCCN1CC[C@@H](CCN)C1	160050961	MLMGJEPPPZUDOK-GFCCVEGCSA-N	198.354	2.093	70	20	AEID	
COCCCCOc1cccnc1F	159593852	YMPOQCNGOSUKHG-UHFFFAOYSA-N	199.225	2.026	70	20	AEID	
Cc1cnccc1CNCC(C)C	160599877	GVMYPTGCJZHCLY-UHFFFAOYSA-N	178.279	2.136	70	20	AEID	
CC(C)N(C)Cc1cc(O)cc(F)c1	159814518	PEUMAYSJVFIQOS-UHFFFAOYSA-N	197.253	2.372	70	20	AEID	
CCCNCc1cc(F)cc(OC)c1	159672353	ZLEJOSMDCKQJJI-UHFFFAOYSA-N	197.253	2.334	70	20	AEID	
CC(C)CCCN1CC[C@@H](N)[C@@H](C)C1	217975507	UPFIQEOEGYXBAZ-NWDGAFQWSA-N	198.354	2.092	70	20	AEID	
CCSCCOCC(C)C	217994991	MDQQORVCSBSRGD-UHFFFAOYSA-N	162.298	2.412	70	20	AEID	
CCN[C@@H](C)[C@@H](OC)c1ccccc1	160740972	UBEJVMFWKIOFBI-CMPLNLGQSA-N	193.290	2.372	70	20	AEID	
CCCn1cnc2c1CCCC2	160403539	XIPPRYKIGNNQLL-UHFFFAOYSA-N	164.252	2.172	70	20	AEID	
C[C@@H](Nc1ncccn1)C1CCC1	160072252	AJKVTXYHACMSCK-MRVPVSSYSA-N	177.251	2.077	70	20	AEID	
CC[C@@H](N[C@@H]1CCCNCC1)C(C)C	160672848	HTYHMZUWTLQDDC-VXGBXAGGSA-N	198.354	2.153	70	20	AEID	
CC(C)=CCC[C@H](C)CCNCCO	216671838	SWZGINXCODXVEU-LBPRGKRZSA-N	199.338	2.341	70	20	AEID	
CC[C@@H](C)N(C)C[C@@H](O)C(C)(C)C	216895874	SBBUZHRECALOSP-NXEZZACHSA-N	187.327	2.124	70	20	AEID	
C[C@@H](NCc1cncs1)C1CCC1	160175048	NBDVVANDCXGLKZ-MRVPVSSYSA-N	196.319	2.421	70	20	AEID	
CCc1cc(CC)n(CC2CC2)n1	160523459	WZXSWPRDTQWOOY-UHFFFAOYSA-N	178.279	2.418	70	20	AEID	
CC[C@@H]1CCCCN1C(=O)C(F)F	217590317	CCSXVZTZIPWPLA-SSDOTTSWSA-N	191.221	2.043	70	20	AEID	
CCc1nccn1CCCSC	160238434	MDVLVGLHFIGHPR-UHFFFAOYSA-N	184.308	2.199	70	20	AEID	
CC[C@@H](N[C@H]1CCCNCC1)C(C)C	160673087	HTYHMZUWTLQDDC-NWDGAFQWSA-N	198.354	2.153	70	20	AEID	
C[C@@H](NC(=O)C(C)(C)C)C1CCC1	160204245	PGMCAJKEESVSIH-MRVPVSSYSA-N	183.295	2.337	70	20	AEID	
CC(C)c1noc([C@H](C)NC2CC2)n1	218590403	KPLMKIFJVDUATK-ZETCQYMHSA-N	195.266	2.006	70	20	AEID	
CCC(CC)CN1CC[C@H](CCN)C1	160044400	RSHXLTNFDLFQNE-LBPRGKRZSA-N	198.354	2.093	70	20	AEID	
Cc1cnc(NC2(C)CCC2)nc1	160438643	GBMPNDIVLMAXCK-UHFFFAOYSA-N	177.251	2.140	70	20	AEID	
CCCC[C@@H](SC)C(=O)OC	160691493	WVOPIXDZRHGUGU-SSDOTTSWSA-N	176.281	2.081	70	20	AEID	
C[C@H](CC1CCC1)S(=O)(=O)Cl	135264377	UPOLDINXDCNNKO-ZCFIWIBFSA-N	196.699	2.134	70	20	AEID	
CCN(C)C(=O)N[C@H](C)CC(C)C	159541483	MZRQKHODBLUJIV-SECBINFHSA-N	186.299	2.082	70	20	AEID	
CCC(CC)NCc1ccnn1CC	160640788	HFPPFLOGHREMAF-UHFFFAOYSA-N	195.310	2.181	70	20	AEID	
COC(=O)C[C@@H](C)SC1CCC1	161185080	UDSBHOOSQBTSRX-SSDOTTSWSA-N	188.292	2.224	70	20	AEID	
CC(C)CN(C)Cc1cccnc1	218662709	CLQAVZUMBMNAMT-UHFFFAOYSA-N	178.279	2.169	70	20	AEID	
CC(C)CNC(=O)N1CCCC[C@H]1C	217269465	UYHWVSCTYPDICY-SNVBAGLBSA-N	198.310	2.226	70	20	AEID	
CCNC(=O)NC[C@H]1CCC[C@@H](C)C1	218003022	OQTJGGFQPDHWED-ZJUUUORDSA-N	198.310	2.132	70	20	AEID	
C[C@H]1CCC[C@H](S(=O)(=O)Cl)C1	88251642	DMIRYBXAVYPDPN-BQBZGAKWSA-N	196.699	2.134	70	20	AEID	
CO[C@@H]1C[C@H](NCC(C)C)C1(C)C	218120932	HTHYWHCDFGIMTJ-VHSXEESVSA-N	185.311	2.046	70	20	AEID	
COC(=O)NC[C@@H]1CCC[C@H](C)C1	218029366	CTORFUFPZUUCIG-DTWKUNHWSA-N	185.267	2.169	70	20	AEID	
CC[C@H](N[C@@H]1CCCNCC1)C(C)C	160672720	HTYHMZUWTLQDDC-NEPJUHHUSA-N	198.354	2.153	70	20	AEID	
CC(C)C(C)(C)CNC(=O)NC1CC1	218703193	PWXYMYDCUBKLJV-UHFFFAOYSA-N	198.310	2.130	70	20	AEID	
O=S(=O)(F)CC1CCCCCC1	258099582	NSIYAJKCXSNYBX-UHFFFAOYSA-N	194.271	2.256	70	20	AEID	
C[C@H](NCc1cncs1)C1CCC1	160174948	NBDVVANDCXGLKZ-QMMMGPOBSA-N	196.319	2.421	70	20	AEID	
CCC[C@H](O)CNCCCC(C)C	217904608	YKQSHSPCTWUCLX-NSHDSACASA-N	187.327	2.173	70	20	AEID	
COCCN(C)C1CCC(C)CC1	218782954	GNNUKBNJWFFUSR-UHFFFAOYSA-N	185.311	2.143	70	20	AEID	
CCCN1CCC(C)(F)CC1	217530268	ZRYKFBYGMLGWAZ-UHFFFAOYSA-N	159.248	2.220	70	20	AEID	
Cc1occc1C(=O)N(C)CC(C)C	218396679	YSLMQWHFYQSTRF-UHFFFAOYSA-N	195.262	2.316	70	20	AEID	
C[C@@H](CC(C)(C)C)S(=O)(=O)Cl	307260761	UCARSPYMPZJRAC-LURJTMIESA-N	198.715	2.380	70	20	AEID	
CN(C)C(=O)c1ccc(C2CC2)cc1	216872430	JCMAUTWAIOTZKL-UHFFFAOYSA-N	189.258	2.266	70	20	AEID	
COC(=O)NC[C@H]1CCC[C@H](C)C1	218029442	CTORFUFPZUUCIG-IUCAKERBSA-N	185.267	2.169	70	20	AEID	
Cc1cccnc1CSCCCO	159884953	LBIBNCGFJXPOOB-UHFFFAOYSA-N	197.303	2.006	70	20	AEID	
CC1(C)CCC[C@H]1S(=O)(=O)Cl	125188108	JBLMTRUVEYNVMR-ZCFIWIBFSA-N	196.699	2.134	70	20	AEID	
Cc1nsc(NC2(C)CCC2)n1	161425391	KGSNHBGVNMLSIE-UHFFFAOYSA-N	183.280	2.201	70	20	AEID	
C[C@H](Nc1cnccn1)C1CCC1	160056845	WKNDZJINKXJHFJ-QMMMGPOBSA-N	177.251	2.077	70	20	AEID	
c1ccc2c(c1)ncn2CC1CC1	160867221	JHKGNLFOIQOWKL-UHFFFAOYSA-N	172.231	2.446	70	20	AEID	
CCc1ncnc(NCC(C)C)c1F	217953963	CHOZAAJDPGUDEX-UHFFFAOYSA-N	197.257	2.246	70	20	AEID	
CCCC[C@H](C)N[C@H]1CCCNCC1	160677235	USIIXLHVMSNBTR-RYUDHWBXSA-N	198.354	2.297	70	20	AEID	
CCCC(=O)N[C@@H](C)C1CCC1	160203057	MGRUHZYROATVPT-QMMMGPOBSA-N	169.268	2.091	70	20	AEID	
CCCCCCN1CC[C@H](O)[C@H](C)C1	159411374	SDIKBBOVKURVFM-NEPJUHHUSA-N	199.338	2.269	70	20	AEID	
C[C@H](O)[C@@H]1CCN(CCC(C)(C)C)C1	159465798	YVWHIHJOZXOKLQ-WDEREUQCSA-N	199.338	2.125	70	20	AEID	
CCC(CC)CN(C)CC[C@@H](C)O	161046748	QOBUXFUTFTYBRA-SNVBAGLBSA-N	187.327	2.125	70	20	AEID	
CCNC(=O)NC[C@@H]1CCC[C@@H](C)C1	218002941	OQTJGGFQPDHWED-NXEZZACHSA-N	198.310	2.132	70	20	AEID	
COCC1(CNCC(C)C)CCCC1	160752246	BDQARTHBPPPBNG-UHFFFAOYSA-N	199.338	2.439	70	20	AEID	
CC[C@](C)(CCO)NCCC(C)C	218111096	HRABXKPHLMRWHG-LLVKDONJSA-N	187.327	2.173	70	20	AEID	
CC(C)CCCN1CC[C@@H]([C@@H](C)N)C1	160600803	FYIPSOSDCCDBCJ-VXGBXAGGSA-N	198.354	2.092	70	20	AEID	
C[C@@H]1CCC[C@H](CNC(=O)N(C)C)C1	218048042	FQJIFYOSXUZSNN-ZJUUUORDSA-N	198.310	2.084	70	20	AEID	
COC(=O)N1CC=C(C(C)(C)C)CC1	160511713	JHTIPMQRFUSKIC-UHFFFAOYSA-N	197.278	2.431	70	20	AEID	
CC(C)=CCN1CCC[C@H]1C[C@H](C)O	159370378	SQOPACGUQLCLRM-RYUDHWBXSA-N	197.322	2.188	70	20	AEID	
C[C@@H]1CCC[C@@H](CNC(=O)N(C)C)C1	218047895	FQJIFYOSXUZSNN-NXEZZACHSA-N	198.310	2.084	70	20	AEID	
CCC[C@@H](C1CC1)S(=O)(=O)Cl	307741908	SBYDQETYEJCDNL-ZETCQYMHSA-N	196.699	2.134	70	20	AEID	
CCC(CC)CN1CC[C@@H]([C@@H](C)O)C1	159473752	YCDAWLKRUVUOFP-ZYHUDNBSSA-N	199.338	2.125	70	20	AEID	
CCC(CC)NC(=O)NCC(C)C	217304906	YLXPDTPAKKPGOZ-UHFFFAOYSA-N	186.299	2.130	70	20	AEID	
COc1cc(F)cc(CNC2CC2)c1	159669728	RORWEEJNKLVPDM-UHFFFAOYSA-N	195.237	2.086	70	20	AEID	
CO[C@@H]1C[C@@H](NCC(C)C)C1(C)C	218120782	HTHYWHCDFGIMTJ-NXEZZACHSA-N	185.311	2.046	70	20	AEID	
CC(C)NC(=O)N1CC[C@@H](C)[C@@H](C)C1	160862539	DWPAGDOAVZKFJM-ZJUUUORDSA-N	198.310	2.082	70	20	AEID	
CC(C)c1noc(Cc2ccco2)n1	218591313	NXVOLCDRWXJKEI-UHFFFAOYSA-N	192.218	2.377	70	20	AEID	
CCc1ncnc(N[C@H](C)CC)c1F	217951209	JJELBCYCIKSFFW-SSDOTTSWSA-N	197.257	2.389	70	20	AEID	
CCc1ncnc(N[C@@H](C)CC)c1F	217951128	JJELBCYCIKSFFW-ZETCQYMHSA-N	197.257	2.389	70	20	AEID	
CC(C)=CCN1CCC[C@@H]1C[C@H](C)O	159370676	SQOPACGUQLCLRM-NWDGAFQWSA-N	197.322	2.188	70	20	AEID	
CN(C(=O)OCCF)c1ccccc1	217404557	FIGNJBJACXUGSH-UHFFFAOYSA-N	197.209	2.229	70	20	AEID	
CC(C)CNCC1CCSCC1	161058644	DBBKPFIQIQSHKY-UHFFFAOYSA-N	187.352	2.375	70	20	AEID	
C[C@H](N)[C@H]1CCN(CCC(C)(C)C)C1	160573493	RLKATGDXMOIGFX-QWRGUYRKSA-N	198.354	2.092	70	20	AEID	
CC[C@H](C1CCC1)S(=O)(=O)Cl	307618879	VCFONOCDHIBLPT-SSDOTTSWSA-N	196.699	2.134	70	20	AEID	
CCC(=O)NC[C@@H]1CCC[C@@H](C)C1	218007916	RIIUTEANMSIURM-NXEZZACHSA-N	183.295	2.339	70	20	AEID	
CCc1cc(NC2(C)CCC2)ncn1	159971200	JQIGSWMJOATDSQ-UHFFFAOYSA-N	191.278	2.394	70	20	AEID	
Cc1ccc(F)c(-c2nnc(C)o2)c1	217647478	YHKXZHTXJTUMAK-UHFFFAOYSA-N	192.193	2.493	70	20	AEID	
CC[C@@H](CCO)NCCC(C)(C)C	217698841	UGBYKMPRZZKDTH-JTQLQIEISA-N	187.327	2.173	70	20	AEID	
CC1(NC(=O)c2cccs2)CCC1	160016246	UHXJRBMUNHFBPO-UHFFFAOYSA-N	195.287	2.421	70	20	AEID	
CC(C)CNC(=O)N1CCCC[C@@H]1C	217269464	UYHWVSCTYPDICY-JTQLQIEISA-N	198.310	2.226	70	20	AEID	
COCCC1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1	160199825	ULFMZMZZICULJR-MRVPVSSYSA-N	368.271	3.166	70	20	AEID	
C[C@@H](C1CCCC1)S(=O)(=O)Cl	107588400	OWWWPSOVKLQCCG-LURJTMIESA-N	196.699	2.134	70	20	AEID	
CCN[C@H](C)[C@@H](OC)c1ccccc1	160741102	UBEJVMFWKIOFBI-ZYHUDNBSSA-N	193.290	2.372	70	20	AEID	
C[C@@H]1CCCC[C@H]1S(=O)(=O)Cl	88251599	NYXIZHREBQGNOF-RNFRBKRXSA-N	196.699	2.134	70	20	AEID	
CCC[C@H](CC)N[C@H]1C[C@H](O)C1(C)C	159557987	BGJWAOQETDLFSL-DCAQKATOSA-N	199.338	2.314	70	20	AEID	
CCCC[C@H](C)N(C)CCCCO	218721159	QOUHQOITWLQZHE-NSHDSACASA-N	187.327	2.269	70	20	AEID	
CCCC[C@H](CC)NCCCCO	218779819	ZRYPLPNDMDIQHV-NSHDSACASA-N	187.327	2.317	70	20	AEID	
CC(C)NC(=O)N1CC[C@H](C)[C@@H](C)C1	160862634	DWPAGDOAVZKFJM-UWVGGRQHSA-N	198.310	2.082	70	20	AEID	
CC1(c2cc(N)n[nH]2)CCCCC1	216752123	JBVHPGFVTVMNEV-UHFFFAOYSA-N	179.267	2.214	70	20	AEID	
CCCCCCN1CC[C@@H](CCN)C1	160044801	QHFCEHVAQMGPCY-GFCCVEGCSA-N	198.354	2.237	70	20	AEID	
CC1=CCN(C(=O)c2ccco2)CC1	160171940	ZGZBHGIGTGTFBI-UHFFFAOYSA-N	191.230	2.072	70	20	AEID	
CC[C@@H](C)CN[C@H](C)CSC	161508254	QNTMEUBVXVCRPH-RKDXNWHRSA-N	175.341	2.374	70	20	AEID	
C[C@H]1C[C@H](NC(=O)N(C)C)CC[C@H]1C	159716646	AVUPXJAOTNPUKI-KXUCPTDWSA-N	198.310	2.082	70	20	AEID	
CC[C@@H]1CCCN1C[C@@H](O)C(C)(C)C	216865648	LAOMXZKDXWZJIU-GHMZBOCLSA-N	199.338	2.268	70	20	AEID	
CCCC[C@@H](CC)Cn1ccnn1	218384650	MLPSDPIKLZHEHI-SNVBAGLBSA-N	181.283	2.495	70	20	AEID	
C[C@@H]1CCC[C@H](S(=O)(=O)Cl)C1	88251640	DMIRYBXAVYPDPN-RQJHMYQMSA-N	196.699	2.134	70	20	AEID	
CC1(NC(=O)c2ccccc2)CCC1	159718819	JQZCXGZIOREPRZ-UHFFFAOYSA-N	189.258	2.359	70	20	AEID	
CCCNC(=O)N1CC[C@H](C)[C@H](C)C1	160863299	UFMBMRDIZILXLO-VHSXEESVSA-N	198.310	2.084	70	20	AEID	
COc1cccnc1N[C@H]1CC1(C)C	160223826	QKYRTJRURFRTKZ-VIFPVBQESA-N	192.262	2.301	70	20	AEID	
C[C@H](NC[C@@H]1C[C@@H]1C)c1ccccn1	160888746	HRPCOOQBHPYZTL-DCAQKATOSA-N	190.290	2.388	70	20	AEID	
C[C@@H](NC(=O)NC(C)(C)C)C1CCC1	160034137	PPHQNFKDXWZXCZ-MRVPVSSYSA-N	198.310	2.273	70	20	AEID	
Cc1cnc(N[C@@H](C)C2CCC2)nc1	160438757	XUOKLBZTQJAWIY-VIFPVBQESA-N	191.278	2.386	70	20	AEID	
FC(F)Cn1cnc2ccccc21	161214530	WCMGJYIFGMIODX-UHFFFAOYSA-N	182.173	2.301	70	20	AEID	
CCN[C@@H](C)[C@H](OC)c1ccccc1	160740724	UBEJVMFWKIOFBI-JQWIXIFHSA-N	193.290	2.372	70	20	AEID	
C#C[C@@H](C)CCBr	168284418	CZUYKJFVAUEVTB-ZCFIWIBFSA-N	161.042	2.041	70	20	AEID	
CCc1ncnc(NC2CCC2)c1F	218010074	XIVJJHYCSJOPCL-UHFFFAOYSA-N	195.241	2.143	70	20	AEID	
Cc1ccnc(NC2(C)CCC2)n1	159976604	WJOIIFJSIIJOEZ-UHFFFAOYSA-N	177.251	2.140	70	20	AEID	
C[C@@H](NCc1ccncc1)C1CCC1	160182114	YVDHPYODGJLGLI-SNVBAGLBSA-N	190.290	2.360	70	20	AEID	
CC(C)N(C[B-](F)(F)F)C(C)C	208326425	NCNXIIFBWVBZDH-UHFFFAOYSA-N	182.018	2.492	70	20	AEID	
CC(C)c1noc([C@@H]2CCCO2)n1	218590877	OKNDTMQOEHWMCS-ZETCQYMHSA-N	182.223	2.045	70	20	AEID	
CC[Si](F)(F)CC	195762701	OJBGGLLCYJYHPG-UHFFFAOYSA-N	124.206	2.407	70	20	AEID	
CSCC[C@H](C)NCC(C)C	161059707	ASQOHPGBPYVRPP-VIFPVBQESA-N	175.341	2.374	70	20	AEID	
CC(C)CN(C)C(=O)[C@@H]1CC=CCC1	218396022	VIMWCDQJNOAHOH-LLVKDONJSA-N	195.306	2.457	70	20	AEID	
CC[C@H]1CC[C@H](C)N1C(=O)NC1CC1	161482322	FBDAMHBNDLEMFL-WPRPVWTQSA-N	196.294	2.121	70	20	AEID	
COCC1(CNC(C)C)CCCC1	160751608	JDGVFYUOLRTWBZ-UHFFFAOYSA-N	185.311	2.191	70	20	AEID	
Cn1cc(OCC2CCCCC2)cn1	161346183	PERUQLGTYSMKPN-UHFFFAOYSA-N	194.278	2.379	70	20	AEID	
Fc1cc(N2CCCCC2)ccn1	159503412	GJFKAQMGIXQQPS-UHFFFAOYSA-N	180.226	2.211	70	20	AEID	
Cc1cnc(N[C@H](C)C2CCC2)nc1	160438904	XUOKLBZTQJAWIY-SECBINFHSA-N	191.278	2.386	70	20	AEID	
C[C@H]1CCCN1CCC(F)(F)F	218771913	YGCADNLWVOGLRS-ZETCQYMHSA-N	181.201	2.423	70	20	AEID	
CC(C)(C)NC(=O)NC1(C)CCC1	159964852	BNINDRHMTRQLGP-UHFFFAOYSA-N	184.283	2.027	70	20	AEID	
Cc1nsc(N[C@H](C)C2CCC2)n1	160066855	YQXFWYQUSGKMON-ZCFIWIBFSA-N	197.307	2.447	70	20	AEID	
Cc1nc(C2CCCC2)no1	218768226	PHFYJHWPUYHIBN-UHFFFAOYSA-N	152.197	2.036	70	20	AEID	
CCCCCNC(=O)c1ccoc1	218103400	BIGZHCQAYRYVAK-UHFFFAOYSA-N	181.235	2.200	70	20	AEID