smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN1CCNC(=O)[C@H]1CO	218659358	HAAPPNHGVSKBCD-ZCFIWIBFSA-N	158.201	-1.201	70	10	AAIE	
CNS(=O)(=O)NC[C@@H](N)[C@H](C)O	160886882	ZZNDIQQWJBTEEL-CRCLSJGQSA-N	197.260	-2.252	70	10	AAIE	
O=C(Cn1cncn1)NC1(CO)CC1	161080832	HVCFAUGEYHHHFQ-UHFFFAOYSA-N	196.210	-1.081	70	10	AAIE	
N[C@@H]1COCCN(S(=O)(=O)F)C1	2241914873	KKLZEVVXRWJZJB-YFKPBYRVSA-N	198.219	-1.140	70	10	AAIE	
CN1CCCN[C@@H](CO)C1=O	218660230	AJOVAWKZKUMSHA-LURJTMIESA-N	158.201	-1.201	70	10	AAIE	
C[C@H](O)[C@@H](O)[SiH3]	238472437	HYZJLZJNOZFIPY-HRFVKAFMSA-N	106.197	-1.949	70	10	AAIE	
CN(C[C@@H](O)CN)S(=O)(=O)F	2241921189	STMREHCASZADLV-BYPYZUCNSA-N	186.208	-1.548	70	10	AAIE	
CNC(=O)Cn1c(=O)cc[nH]c1=O	218675672	ZEUFVEDODMBYTD-UHFFFAOYSA-N	183.167	-1.717	70	10	AAIE	
CCNC(=O)[C@@H](C)NOCC(N)=O	160338205	ZWTBOVGTUCCGEJ-RXMQYKEDSA-N	189.215	-1.483	70	10	AAIE	
NC(=O)On1cnnn1	104589579	ACSLFLQIVSEMMB-UHFFFAOYSA-N	129.079	-1.820	70	10	AAIE	
OCCO[Cl+3](O)(O)O	39644117	PRRJHWVYEDALIF-UHFFFAOYSA-N	147.534	-2.211	70	10	AAIE	
CCNS(=O)(=O)N[C@H](C)C(=N)N	161137563	ARBGRPAGZXDODG-SCSAIBSYSA-N	194.260	-1.245	70	10	AAIE	
C1=NN=C(NN/C=C2/C#CNN2)N=1	885197921	UZEIDIDWWCZFHQ-HYXAFXHYSA-N	175.155	-1.551	70	10	AAIE	
C/[N+](=C1/N=C=N[C-](N)N1)[C@H]1CCOC1	885768359	YWPUXIOYIJCHLU-LURJTMIESA-O	195.226	-1.044	70	10	AAIE	
CN([C@@H]1CNC[C@H]1O)S(=O)(=O)F	2241914263	BENURSALHXBXCY-RFZPGFLSSA-N	198.219	-1.535	70	10	AAIE	
C[C@@]1(O)CC/[N+](=C2/N=C=N[C-](N)N2)C1	885768269	UVUSWMXYCPEUEJ-MRVPVSSYSA-O	195.226	-1.308	70	10	AAIE	
CN(C[C@H](O)CN)S(=O)(=O)F	2241921190	STMREHCASZADLV-SCSAIBSYSA-N	186.208	-1.548	70	10	AAIE	
CCCNC(=O)CNOCC(N)=O	160340964	PGXLALGYDUMHKZ-UHFFFAOYSA-N	189.215	-1.481	70	10	AAIE	
CCN1CCNC(=O)[C@@H]1CO	218659265	HAAPPNHGVSKBCD-LURJTMIESA-N	158.201	-1.201	70	10	AAIE	
Nc1ccc(=O)n(CCOCCO)n1	161160101	PYOBAPHLFADSNP-UHFFFAOYSA-N	199.210	-1.166	70	10	AAIE	
N=[C]CNC(=O)C(=O)N=C1N=C=NN1	885209210	QMXPWZAEHROZFF-UHFFFAOYSA-N	193.146	-1.796	70	10	AAIE	
O=S(=O)(F)N[C@H]1CNC[C@@H]1O	2241915850	YDHVPVLHQMWASY-IMJSIDKUSA-N	184.192	-1.877	70	10	AAIE	
COCC1(NS(=O)(=O)F)CNC1	2241921390	WHNZDEHTTPHACE-UHFFFAOYSA-N	198.219	-1.221	70	10	AAIE	
CO[C@@H](C)C(=O)NCCNC(N)=O	160631383	FXWHZVADUTVUIM-YFKPBYRVSA-N	189.215	-1.194	70	10	AAIE	
O=C1NCCN(C2CC2)[C@@H]1CO	218782138	SVSNVYBWBUKQDH-SSDOTTSWSA-N	170.212	-1.059	70	10	AAIE	
NC(=O)CONC[C@H]1CCCNC1	160289359	NOLPETPGONKMBS-ZETCQYMHSA-N	187.243	-1.008	70	10	AAIE	
OB1OCc2cc3c(cc21)COB3O	201996396	NOCXETWUHNVFBQ-UHFFFAOYSA-N	189.772	-1.878	70	10	AAIE	
CN1CC(=O)N[C@@H](CN)C1	218563736	QEWWILRZXVUOCJ-YFKPBYRVSA-N	143.190	-1.625	70	10	AAIE	
O=C1[C@@H](CO)NCCN1C1CC1	218781709	WXZSZCAZPROYDW-SSDOTTSWSA-N	170.212	-1.059	70	10	AAIE	
CCN1CCNC(=O)[C@@H]1CN	218641901	NATFWDNYANMMGV-LURJTMIESA-N	157.217	-1.235	70	10	AAIE	
N[C@@H](CO)CNS(=O)(=O)F	2241914977	LVODTRUIFFPVQE-GSVOUGTGSA-N	172.181	-1.890	70	10	AAIE	
NCC1NNNN1	218362278	HTJCWMJXGNLGLL-UHFFFAOYSA-N	103.129	-2.612	70	10	AAIE	
CN1N=C([C@H](N)C2=[N+](C)N=C=N2)NN1	885670872	KJWRSOOVHNYAMC-BYPYZUCNSA-N	195.210	-2.275	70	10	AAIE	
CNS(=O)(=O)NC[C@H](O)COC	160686794	YJUREIBJMMKVRN-YFKPBYRVSA-N	198.244	-1.953	70	10	AAIE	
CNS(=O)(=O)N[C@H](C)CC(=N)N	161107408	HSYGURUPDYLNMS-SCSAIBSYSA-N	194.260	-1.245	70	10	AAIE	
O=S(=O)(F)NC[C@H]1CNC[C@@H]1O	2241919850	BDQNIZNDEVFZGH-UHNVWZDZSA-N	198.219	-1.629	70	10	AAIE	
CNC(=O)CC1(O)CNC1	218566614	OKUGQHXMPKOJPS-UHFFFAOYSA-N	144.174	-1.543	70	10	AAIE	
CN(C)C(=O)Cn1c(=O)cc[nH]c1=O	218675474	KQHUHQBJWGOZTC-UHFFFAOYSA-N	197.194	-1.375	70	10	AAIE	
COCCNS(=O)(=O)N(C)OC	161207490	KWNLYMBPIGEJBN-UHFFFAOYSA-N	198.244	-1.040	70	10	AAIE	
CCNC(=O)CCNOCC(N)=O	160326325	PUAXVKAMQHJMNB-UHFFFAOYSA-N	189.215	-1.481	70	10	AAIE	
C[C@H](O)C(=O)[SiH](C)O	238484749	GDOQNVOSZLZCMX-DXXKLEEJSA-N	134.207	-1.179	70	10	AAIE	
CN1C#CN[C-]1CN1N=C=N[C-]1CN	885594305	MIOFCOLMHIZUTB-UHFFFAOYSA-N	190.210	-1.218	70	10	AAIE	
CCOC(=O)[C@@H](N)C(=O)NOC	160110475	IGYOTVCCUXMOFI-BYPYZUCNSA-N	176.172	-1.446	70	10	AAIE	
CN(C[C-]1N=C=NN1C)C(=O)CO	885449603	NZIDDALAFMCAEB-UHFFFAOYSA-N	183.191	-1.039	70	10	AAIE	
Cn1cnc(CNC2=NCCN2)n1	218721483	KMJULCHOQCCNBO-UHFFFAOYSA-N	180.215	-1.136	70	10	AAIE	
CN1N=C=C(CN2N=C=N[C-]2CN)N1	885615193	AAUCZVJZBHRJHP-UHFFFAOYSA-N	192.206	-1.242	70	10	AAIE	
CCNS(=O)(=O)N(C)CC(=N)N	161119436	FFOZDDPPKASANZ-UHFFFAOYSA-N	194.260	-1.292	70	10	AAIE	
[SiH3]C[SiH2][C@H]([SiH3])Cl	306272101	WAWAFMHDGKLWSC-REOHCLBHSA-N	154.821	-2.216	70	10	AAIE	
CN1CCN(NS(=O)(=O)F)CC1	1953505021	UPWXFWGHMAKZRN-UHFFFAOYSA-N	197.235	-1.047	70	10	AAIE	
CN1N=C=C(CN2N=C=N[C-]2CO)N1	885668887	JYKLJNHHOFLJJI-UHFFFAOYSA-N	193.190	-1.209	70	10	AAIE	
C[C@@H]1COCC/[N+]1=C1/N=C=N[C-](N)N1	885767985	DOSAZRWMHKRNAH-ZCFIWIBFSA-O	195.226	-1.044	70	10	AAIE	
CCS(=O)(=O)[C@H](N)CO	217454895	GJROQGBPJWZBED-BYPYZUCNSA-N	153.203	-1.302	70	10	AAIE	
CN1N=C=N[C]1C[C@H](O)C1=C=NNN1	885210371	CLIKTGMWQYMSFN-LURJTMIESA-N	193.190	-1.162	70	10	AAIE	
CN1N=C=N[C-]1CN1C[C@H](O)[C@H](O)C1	885894721	KTQHVFTYVNQYRJ-KNVOCYPGSA-N	197.218	-1.452	70	10	AAIE	
CN(C[C@H](N)C(N)=O)[C@@H]1CCOC1	159912165	HCNAOLKTILUGJD-RQJHMYQMSA-N	187.243	-1.480	70	10	AAIE	
CC(=O)NCCN[C@H](C)CC(N)=O	218561310	DMXRMGPXCCSECS-ZCFIWIBFSA-N	187.243	-1.024	70	10	AAIE	
CN1CCNC(=O)[C@@H]1CO	218567692	AUUDMELYGZZUDS-YFKPBYRVSA-N	144.174	-1.591	70	10	AAIE	
C#CC[C@H](N)C(=O)N[C-]1N=C=NN1C	885614922	QYJYPXKOSNHXHT-LURJTMIESA-N	192.202	-1.066	70	10	AAIE	
C[C@@H](O)[C@H](O)[SiH3]	238465564	HYZJLZJNOZFIPY-PWNYCUMCSA-N	106.197	-1.949	70	10	AAIE	
CN1CCC[C@@H](NC(=O)C(N)=O)C1	218678670	IMXWXHGSHHWYHO-ZCFIWIBFSA-N	185.227	-1.318	70	10	AAIE	
CNS(=O)(=O)N(C)C[C@@H](C)CN	160151733	YKHWNZVZKMEGGF-LURJTMIESA-N	195.288	-1.023	70	10	AAIE	
CNS(=O)(=O)N(C)CCC(=N)N	161139707	DFSYSIJCJQFEHK-UHFFFAOYSA-N	194.260	-1.292	70	10	AAIE	
CCN(C)CCNS(N)(=O)=O	160922722	SCKIRNGTRMCPNC-UHFFFAOYSA-N	181.261	-1.269	70	10	AAIE	
C[N+]1=C=C(CN2N=C=N[C-]2CN)NN1	885615411	PATJCJIZPTUVLK-UHFFFAOYSA-N	193.214	-1.942	70	10	AAIE	
NCCNC[C@@H]1CCS(=O)(=O)C1	161178568	STUONPSLVOXBQJ-ZETCQYMHSA-N	192.284	-1.031	70	10	AAIE	
CCOC(=O)[C@H](N)C(=O)NC#N	160117401	YWCKYRWPNCQBCN-SCSAIBSYSA-N	171.156	-1.526	70	10	AAIE	
CN1N=C=C([C@@H](N)[C-]2N=C=NN2C)N1	885615401	NVNRUFKRUZJXLE-ZCFIWIBFSA-N	192.206	-1.244	70	10	AAIE	
[SiH3]N1CCNCC1	227684971	MBNZWTSAAPQLKH-UHFFFAOYSA-N	116.240	-1.828	70	10	AAIE	
NOCCNS(=O)(=O)F	2241915409	RNDXBZCHKRICMF-UHFFFAOYSA-N	158.154	-1.319	70	10	AAIE	
CN1C#CN[C-]1[C@H](N)[C-]1N=C=NN1C	885594266	GSCDBQPXENSLFN-LURJTMIESA-N	190.210	-1.220	70	10	AAIE	
O=S(=O)(F)c1nnc(O)nc1O	1928380375	QXTSYDOTOVAJIS-UHFFFAOYSA-N	195.131	-1.059	70	10	AAIE	
CNS(=O)(=O)NC[C@@H](O)CO	160713273	LRZQQBXZUSTWNA-SCSAIBSYSA-N	184.217	-2.607	70	10	AAIE	
CC[C@H](NS(=O)(=O)NC)C(=N)N	161127229	UUIOFDCHPAISRT-BYPYZUCNSA-N	194.260	-1.245	70	10	AAIE	
CN1N=C=N[C-]1CNC(=O)C(=O)O	885449182	NOSSOODKJLDOFP-UHFFFAOYSA-N	183.147	-1.289	70	10	AAIE	
NCCN1NNN/C1=C1/C#CN=C=N1	885573125	IYTXLKRIAHTKNT-VOTSOKGWSA-N	191.198	-1.908	70	10	AAIE	
C[C@@H](CO)O[Cl+3](O)(O)O	196465761	WZOSXFVPDWGLQG-VKHMYHEASA-N	161.561	-1.823	70	10	AAIE	
O[C@H]1CN(C[C-]2N=C=NO2)C[C@H]1O	885470837	MTFQATNSGGRBQB-OLQVQODUSA-N	184.175	-1.368	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)C1=C=[N+](C)NN1	885669001	WNQIISFTIUMSJI-LURJTMIESA-N	194.198	-1.910	70	10	AAIE	
O=C1C=CC(=O)N1CCN1N=C=NN1	885610783	PEMKTQHGFDHJLT-UHFFFAOYSA-N	193.166	-1.265	70	10	AAIE	
CNC(C)(C)C(=O)NOCC(N)=O	160347127	AUHQONRQPRVYEL-UHFFFAOYSA-N	189.215	-1.483	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)C1=C=S=NN1	642816175	QQHYRKCQGPDQBB-RXMQYKEDSA-N	196.215	-1.060	70	10	AAIE	
NC(=O)CONC(=O)[C@@H]1C=C[C@H](N)C1	160358969	DSCCTNVUVMNTSI-RITPCOANSA-N	199.210	-1.577	70	10	AAIE	
[SiH3]C[SiH2][C@@H]([SiH3])Cl	306272102	WAWAFMHDGKLWSC-UWTATZPHSA-N	154.821	-2.216	70	10	AAIE	
C/[N+](CC(C)(C)O)=C1/N=C=N[C-](N)N1	885854132	YMLWEFRLVBMQHE-UHFFFAOYSA-O	197.242	-1.062	70	10	AAIE	
NCO[SiH3]	227700414	SXJNUIUFPKKUKO-UHFFFAOYSA-N	77.159	-1.800	70	10	AAIE	
CN1CCN(C)[C@@H](CN)C1=O	218641714	XDKAQSGIBDQOBM-LURJTMIESA-N	157.217	-1.283	70	10	AAIE	
[SiH3]C[SiH2][C@H]([SiH3])Br	307200682	CFAFQVZRELXFLQ-REOHCLBHSA-N	199.272	-2.060	70	10	AAIE	
O=S(=O)(F)N[C@@H]1CCNC[C@@H]1O	2241915393	RGOFWJMWFLRDFO-UHNVWZDZSA-N	198.219	-1.487	70	10	AAIE	
CO[C@]1(CCO)C[C@@H](O)[C@H](CO)O1	217628161	QAFIQGLQJIXTEO-CSMHCCOUSA-N	192.211	-1.146	70	10	AAIE	
N[C@H]1C[C@H]1NS(=O)(=O)F	2241918863	MRJPOXPYEOTABG-STHAYSLISA-N	154.166	-1.110	70	10	AAIE	
O=C(NC1=NN=C=N1)C1=C=N[C-](O)N1	885209145	QIENLMRFCPMNRO-UHFFFAOYSA-N	191.130	-1.463	70	10	AAIE	
N[C@H]1C[C@@H](O)CN(S(=O)(=O)F)C1	2241920423	JSWCJEOMUBATSR-CRCLSJGQSA-N	198.219	-1.405	70	10	AAIE	
CC(C)[C@H](N)C(=O)NOCC(N)=O	159606577	SJBIHKCNTWUVNM-LURJTMIESA-N	189.215	-1.497	70	10	AAIE	
O=C1NC[C@@H]([C@H]2CNC(=O)N2)N1	216915870	FPUGYFYIMCODQR-ZXZARUISSA-N	170.172	-1.651	70	10	AAIE	
CN1CC(=O)N[C@H](CN)C1	218563805	QEWWILRZXVUOCJ-RXMQYKEDSA-N	143.190	-1.625	70	10	AAIE	
C[C@H]1CN(C)[C@H](CO)C(=O)N1	218660040	CFKIXEFLUMRAGJ-NTSWFWBYSA-N	158.201	-1.203	70	10	AAIE	
O=S(=O)(F)NC[C@@H]1CNCCO1	2241915249	PELAQSBPUNDCLU-YFKPBYRVSA-N	198.219	-1.221	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)[C@@H]1CNCCO1	885894833	VUCIBZTVLICEMU-NKWVEPMBSA-N	197.218	-1.141	70	10	AAIE	
C[C@@H](O)CO[Cl+3](O)(O)O	196465831	XZHMMIAWCSAOEJ-GSVOUGTGSA-N	161.561	-1.823	70	10	AAIE	
CN1N=C=N[C-]1CN1C[C@H](O)[C@@H](O)C1	885894720	KTQHVFTYVNQYRJ-BQBZGAKWSA-N	197.218	-1.452	70	10	AAIE	
O=C(N[C]1N=C=NN1)[C@@H]1COCCN1	885217062	RXPLHYNCBQRWAL-YFKPBYRVSA-N	196.190	-1.770	70	10	AAIE	
C/[N+](CCO)=C1/N=C=N[C-](N)N1	642872878	VAUAYYVDYVNNOM-UHFFFAOYSA-O	169.188	-1.840	70	10	AAIE	
N[C@@H](CS(=O)(=O)F)C(=O)O	2208932644	FJPRIAPYHYGCJR-REOHCLBHSA-N	171.149	-1.302	70	10	AAIE	
O=S(=O)(F)NC[C@@]1(O)CCNC1	2241915938	ZQFCHMIOAGRQIJ-RXMQYKEDSA-N	198.219	-1.485	70	10	AAIE	
C[C@@]12BBBBBBBBB[C@@H]1B2	227516949	BWRZDMVEWILCSC-STHAYSLISA-N	158.265	-5.419	70	10	AAIE	
C[C@H](C=O)O[SiH3]	238414524	PISXFRKMFSRNDM-GSVOUGTGSA-N	104.181	-1.129	70	10	AAIE	
O=S(=O)(F)NC[C@H]1COCCN1	2241914775	JBBKFZHAXSFDOU-YFKPBYRVSA-N	198.219	-1.221	70	10	AAIE	
O=C(N[C]1N=C=NN1)[C@@H]1COCCO1	885217922	FGRBZMFPVKPRMS-YFKPBYRVSA-N	197.174	-1.343	70	10	AAIE	
Cn1cnnc1Cn1ncn(C)c1=O	160412803	BFMKJOPBRGNUDB-UHFFFAOYSA-N	194.198	-1.241	70	10	AAIE	
NC[C@@H]1C(=O)NCCN1C1CC1	218766995	FROAEMJHFCOMMD-SSDOTTSWSA-N	169.228	-1.092	70	10	AAIE	
COC(=O)C[C@H](C)NOCC(N)=O	160323721	FNENNFXWDWVBNI-YFKPBYRVSA-N	190.199	-1.056	70	10	AAIE	
CN1NNN=C1[C@H](N)[C-]1C#CN=C=N1	885573130	JJIZCJAMEYQRTR-ZCFIWIBFSA-N	190.190	-1.738	70	10	AAIE	
NC1=C=C([C-](O)N2CC(O)C2)N=C=N1	885666774	RMMXKNCKYSFHDH-UHFFFAOYSA-N	193.186	-1.005	70	10	AAIE	
COC1(CNS(=O)(=O)F)CNC1	2241918572	IXFCHNVFTQDIGU-UHFFFAOYSA-N	198.219	-1.221	70	10	AAIE	
C[C@@H](CO)CN(CCO)CCO	160942053	MPBBJCWBLXUNAC-MRVPVSSYSA-N	177.244	-1.099	70	10	AAIE	
NCC1(NS(=O)(=O)F)COC1	2241914871	KJJKBKVHMRWLIA-UHFFFAOYSA-N	184.192	-1.482	70	10	AAIE	
NC(=O)CONC[C@@H]1CCCNC1	160289508	NOLPETPGONKMBS-SSDOTTSWSA-N	187.243	-1.008	70	10	AAIE	
CN1N=C=N[C-]1C[N+]1=C=C(CN)NN1	885615276	CWVYKIXONRJEFD-UHFFFAOYSA-N	193.214	-1.942	70	10	AAIE	
O=S(=O)(F)NC[C@@H]1CNC[C@@H]1O	2241919851	BDQNIZNDEVFZGH-WHFBIAKZSA-N	198.219	-1.629	70	10	AAIE	
C[C@@H](CN)CC(=O)NOCC(N)=O	160349871	BKTYHWMCRLLATA-RXMQYKEDSA-N	189.215	-1.496	70	10	AAIE	
COCC(=O)NC[C@@H](O)C(=O)OC	217695537	RMACLAGFBXEZNI-RXMQYKEDSA-N	191.183	-1.717	70	10	AAIE	
[N-]=[N+]=NC(=O)[C-]1C#CC(=O)NN1	642876341	RYNZXNKTCFMQBU-UHFFFAOYSA-N	164.104	-1.007	70	10	AAIE	
CO[C@H]([C@@H](C)O)[C@H](O)[C@H](O)CO	218520723	YKUVNVZSMFZEGL-DBRKOABJSA-N	180.200	-1.904	70	10	AAIE	
N[C@H]1COCC[C@H]1NS(=O)(=O)F	2241914322	CDJSZTSULGCHSV-CRCLSJGQSA-N	198.219	-1.094	70	10	AAIE	
CS(=O)(=O)NOCCN	218606617	JYVANXLJZVDKKK-UHFFFAOYSA-N	154.191	-1.574	70	10	AAIE	
N[C-]1N=C=NC(=[N+]2C[C@H](O)[C@@H](O)C2)N1	885843356	FCSRZLGZQMWSQK-WHFBIAKZSA-O	197.198	-2.727	70	10	AAIE	
CO[C@H]1CN(S(=O)(=O)F)C[C@@H]1N	2241921380	WBTVPOGDUDKVDB-WHFBIAKZSA-N	198.219	-1.141	70	10	AAIE	
B1BB[C@@H]2BBBB[C@H]2BB1	195797856	MCHSQCXVSDCSNF-LWMBPPNESA-N	132.418	-5.161	70	10	AAIE	
N[C-]1N=C=N/C(=N/[C@@H]2COC[C@@H]2O)N1	885843368	GWZOWDHMYYNWQK-UHNVWZDZSA-N	196.190	-1.715	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CC[C@H](O)C2)N1	642827976	QZQAXDRHUYLWTA-YFKPBYRVSA-O	181.199	-1.698	70	10	AAIE	
CN1N=C([C@H](O)[C-]2C#CN=C=N2)NN1	885590780	UUVDMEUGNJCZHM-ZCFIWIBFSA-N	191.174	-1.704	70	10	AAIE	
NCCC[SiH2]O	206938338	JVRHDWRSHRSHHS-UHFFFAOYSA-N	105.213	-1.170	70	10	AAIE	
C[C@H]1CNC(=O)[C@@H](CN)N1C	218642494	TUCRKIGFAKXQRP-NTSWFWBYSA-N	157.217	-1.236	70	10	AAIE	
C[C@@H]1CN(C)[C@H](CO)C(=O)N1	218659971	CFKIXEFLUMRAGJ-PHDIDXHHSA-N	158.201	-1.203	70	10	AAIE	
C[C@H]1CNC(=O)[C@H](CN)N1C	218642339	TUCRKIGFAKXQRP-WDSKDSINSA-N	157.217	-1.236	70	10	AAIE	
C[C@H](O)C1C[N+](=C2N=C=N[C-](N)N2)C1	885767967	CYSDQOCRNYTYLG-YFKPBYRVSA-O	195.226	-1.452	70	10	AAIE	
NCCC(CCN)NS(=O)(=O)F	2241915534	TWHFGWAYIJHGNA-UHFFFAOYSA-N	199.251	-1.144	70	10	AAIE	
Cn1cc(OC[C@H](N)C(N)=O)cn1	161251772	HOTSJEDHDSQPEY-LURJTMIESA-N	184.199	-1.389	70	10	AAIE	
CN(C)[C@@H]1CNC(=O)NB1O	238289968	YEQQTXUCPHDBSK-SCSAIBSYSA-N	156.982	-1.751	70	10	AAIE	
CO[C@H](CO)[C@H]1OC[C@@H](OC)[C@H]1O	217725093	AHLORHYNNXKERP-WCTZXXKLSA-N	192.211	-1.232	70	10	AAIE	
Nc1ccn([SiH3])c(=O)n1	227676426	WKNCCQCZYRYISB-UHFFFAOYSA-N	141.206	-2.046	70	10	AAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)OC	160079980	YLLMGUZTIAYSDP-YFKPBYRVSA-N	190.199	-1.103	70	10	AAIE	
CC[C@@H](NOCC(N)=O)C(=O)OC	160297589	TXGWIBUSZNTXKN-RXMQYKEDSA-N	190.199	-1.056	70	10	AAIE	
CCCNS(=O)(=O)NCC(N)=O	160452111	RVLXTXUFGKNKJT-UHFFFAOYSA-N	195.244	-1.694	70	10	AAIE	
CN1NNN=C1[C@@H](N)[C-]1C#CN=C=N1	885573129	JJIZCJAMEYQRTR-LURJTMIESA-N	190.190	-1.738	70	10	AAIE	
CC(C)NS(=O)(=O)NCC(N)=O	160451551	HKODYZDRUGEKEQ-UHFFFAOYSA-N	195.244	-1.696	70	10	AAIE	
C#C[C@H](CO)/N=C1/N=C=N[C-](N)N1	885367287	NJWBFNMGKAWJQQ-RXMQYKEDSA-N	178.175	-1.481	70	10	AAIE	
O=S(=O)(F)N[C@H]1CNCCOC1	2241914319	CBTJLHMMPVYUHJ-YFKPBYRVSA-N	198.219	-1.221	70	10	AAIE	
CN1N=C=N[C-]1CNC(=O)[C@@H]1CCN1	885768227	OTMVEVAXWGUNPN-LURJTMIESA-N	194.218	-1.012	70	10	AAIE	
Cn1cc(OCC(=O)NC(N)=O)cn1	161345370	BXAGDLFIMYIOKG-UHFFFAOYSA-N	198.182	-1.006	70	10	AAIE	
NC(=O)C([SiH3])[SiH3]	227650920	LPHRTQQOKYRTQS-UHFFFAOYSA-N	119.272	-3.052	70	10	AAIE	
OC[C@H](O[C@H](O)[C@@H](O)CO)C(O)O	217658111	SXOUIFOKVAJROZ-FKZODXBYSA-N	198.171	-3.654	70	10	AAIE	
CCCS(=O)(=O)NOCC(N)=O	160322138	KZIYFCZEGGTXKI-UHFFFAOYSA-N	196.228	-1.267	70	10	AAIE	
Cn1cnc(CNC(N)=O)n1	218731806	RUDXFSDFNOXLON-UHFFFAOYSA-N	155.161	-1.017	70	10	AAIE	
C[C@@H]1CN(C)[C@H](CN)C(=O)N1	218642602	NWJQASBVXRLLBZ-PHDIDXHHSA-N	157.217	-1.236	70	10	AAIE	
N[C@@H](CNS(=O)(=O)F)C(=O)O	2241919995	CTQBABXAWLTXDQ-REOHCLBHSA-N	186.164	-1.798	70	10	AAIE	
C[C@@H]1C[C@@H](O)C/[N+]1=C1/N=C=N[C-](N)N1	885768250	SCEYPVKOSYLBCJ-PHDIDXHHSA-O	195.226	-1.309	70	10	AAIE	
NC[C@H](CO)NS(=O)(=O)F	2241920123	FSRGESDFOGPDQJ-GSVOUGTGSA-N	172.181	-1.890	70	10	AAIE	
NC(=O)CONC[C@H]1CCOCO1	160324423	RULSCWJTYUHPNY-ZCFIWIBFSA-N	190.199	-1.244	70	10	AAIE	
NC(=O)CONC(=O)NC1CC1	161484561	WNLLKPGUXNXXER-UHFFFAOYSA-N	173.172	-1.135	70	10	AAIE	
O=S(=O)(F)N[C@]1(CO)CCNC1	2241920942	PZFGUVUYIGGPFG-RXMQYKEDSA-N	198.219	-1.485	70	10	AAIE	
Cn1cc(OCC(=O)NCCO)cn1	161300008	LWIOGIXLROIBAT-UHFFFAOYSA-N	199.210	-1.093	70	10	AAIE	
O[Cl+3](O)(O)O[Cl+3](O)(O)O	263589259	HLJIAPXPPPSGTH-UHFFFAOYSA-N	188.947	-3.410	70	10	AAIE	in-vitro
OCC1=C=NNN1C[C-]1N=C=NO1	885388256	NANZXLCQDRRTBD-UHFFFAOYSA-N	180.147	-1.124	70	10	AAIE	
C[C@H](O)CO[Cl+3](O)(O)O	196465825	XZHMMIAWCSAOEJ-VKHMYHEASA-N	161.561	-1.823	70	10	AAIE	
NC(=O)C1(N)CN(S(=O)(=O)F)C1	2241915519	SXGQPOQTYXQXHM-UHFFFAOYSA-N	197.191	-2.301	70	10	AAIE	
NC(=O)CO[C@H](CC(N)=O)C(N)=O	217918506	KJSPLGUEFXREQE-GSVOUGTGSA-N	189.171	-2.782	70	10	AAIE	
NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)F	2241920454	KCITXSCXUACNRL-CRCLSJGQSA-N	198.219	-1.405	70	10	AAIE	
N[C@]1(CNS(=O)(=O)F)CCOC1	2241914556	GDJSUWONOAAQJD-YFKPBYRVSA-N	198.219	-1.092	70	10	AAIE	
N[C@H](CNS(=O)(=O)F)C(=O)O	2241917752	CTQBABXAWLTXDQ-UWTATZPHSA-N	186.164	-1.798	70	10	AAIE	
O=C(N[C]1N=C=NN1)OC1CNC1	885202253	WEELJARHQOCVAO-UHFFFAOYSA-N	182.163	-1.177	70	10	AAIE	
CN(C[C@@H](N)C(N)=O)[C@@H]1CCOC1	159912294	HCNAOLKTILUGJD-RNFRBKRXSA-N	187.243	-1.480	70	10	AAIE	
NCCNCCOP(=O)(O)O	218702591	DUUXPMHZQQJFMB-UHFFFAOYSA-N	184.132	-1.356	70	10	AAIE	
N#CNC1CN(S(=O)(=O)F)C1	2241569883	WEVYINXTNGEEKN-UHFFFAOYSA-N	179.176	-1.044	70	10	AAIE	
CC[C@](C)(N)C(=O)NOCC(N)=O	160350429	MCPUKVFSQYTVPD-ZETCQYMHSA-N	189.215	-1.353	70	10	AAIE	
[N-]=[N+]=Cc1ncccc1[SiH3]	306970168	IRQBEEQTKOTQIJ-UHFFFAOYSA-N	149.229	-1.279	70	10	AAIE	
c1ccc2c(c1)[SiH2]C[SiH2]2	1933260969	BUMBPCLHDDJZQA-UHFFFAOYSA-N	150.329	-1.336	70	10	AAIE	
O=C1NC(=O)/C(=C\N2CCOCC2)N1	217696484	YABVIRCNKZDWKX-AATRIKPKSA-N	197.194	-1.001	70	10	AAIE	
C[C@@H](O)C1=C=[N+](C[C-]2N=C=NO2)NN1	885743341	YSTNUQHRBIILNT-RXMQYKEDSA-N	195.182	-1.435	70	10	AAIE	
ClC1[SiH2]C[SiH2]C[SiH2]1	307083086	QNIYXABOPBDLOY-UHFFFAOYSA-N	166.832	-1.220	70	10	AAIE	
C[C@@H](C(N)=O)N(C)C1=N[C-](N)N=C=N1	885803024	FEWUFZCULAJVEF-BYPYZUCNSA-N	195.206	-1.259	70	10	AAIE	
O=S(=O)(NCCCO)NC1CC1	160655233	WUGNTGFHEWTJFZ-UHFFFAOYSA-N	194.256	-1.045	70	10	AAIE	
[SiH3][C@H](Cl)[SiH2][C@@H]([SiH3])Cl	307324712	FFNWGZPIIHRKDA-XIXRPRMCSA-N	189.266	-2.069	70	10	AAIE	
N[C@H](CNS(=O)(=O)F)C(=O)O	2241919996	CTQBABXAWLTXDQ-UWTATZPHSA-N	186.164	-1.798	70	10	AAIE	
O=C1CN([SiH3])C(=O)N1	307276484	WJMNNAJKUGEOOI-UHFFFAOYSA-N	130.179	-2.181	70	10	AAIE	
N[C@@H](CS(=O)(=O)Cl)C(=O)O	306876404	BSRNMQNVJNKTRX-REOHCLBHSA-N	187.604	-1.033	70	10	AAIE	
NC1=C=C(C(=O)N[C]2N=C=NN2)NO1	885209249	RYFNPMYXCFZSBQ-UHFFFAOYSA-N	193.146	-1.941	70	10	AAIE	
CC(C)(CN)C(=O)NOCC(N)=O	160348159	WZBPIEHJFCUILP-UHFFFAOYSA-N	189.215	-1.496	70	10	AAIE	
Cn1cc(CNOCC(N)=O)cn1	160281532	KDEZIFAVULLNSE-UHFFFAOYSA-N	184.199	-1.073	70	10	AAIE	
CNC(=O)CCCNOCC(N)=O	160330146	PUYBMMURMJUESK-UHFFFAOYSA-N	189.215	-1.481	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)[C@H]1COCCN1	885894782	QKQHNXAOKHBRLF-RNFRBKRXSA-N	197.218	-1.141	70	10	AAIE	
CN1CCNC(=O)[C@H]1CO	218567769	AUUDMELYGZZUDS-RXMQYKEDSA-N	144.174	-1.591	70	10	AAIE	
CNC1=C=C(C2=[N+](C)NNN2)N=C=N1	885573242	ZYYUTHBQCMLUDN-UHFFFAOYSA-O	192.206	-1.714	70	10	AAIE	
O[C@H]1CN(C[C-]2N=C=NO2)C[C@@H]1O	885470839	MTFQATNSGGRBQB-WDSKDSINSA-N	184.175	-1.368	70	10	AAIE	
CO[C@H](C)C(=O)N(CCO)CCO	160999442	FSUISRMCLYLJDI-SSDOTTSWSA-N	191.227	-1.166	70	10	AAIE	
NC(=O)CONC(=O)[C@H]1CCCN1	159603640	CDLNINAJQIPMLQ-RXMQYKEDSA-N	187.199	-1.729	70	10	AAIE	
NCC1(CNS(=O)(=O)F)COC1	2241915757	XEIHCHFJFJNTLF-UHFFFAOYSA-N	198.219	-1.234	70	10	AAIE	
CN1N=C=N[C-]1C[C@H](N)C(N)=O	885308434	JWXFQWZPDRVFSM-BYPYZUCNSA-N	168.180	-1.287	70	10	AAIE	
N[C@@H]1CCN(CCN2N=C=NN2)C1=O	885803182	ZVKPHCZXQZHDRR-ZCFIWIBFSA-N	196.214	-1.630	70	10	AAIE	
NC(=O)CONCC1CCNCC1	160276808	SUGVXSJDBRJRPS-UHFFFAOYSA-N	187.243	-1.008	70	10	AAIE	
CNC[C@@H]1CN(C)CC(=O)N1	218643296	DMXXRJCKZPQALZ-ZCFIWIBFSA-N	157.217	-1.364	70	10	AAIE	
OCCNC1=C2N[C]=N[C-]2N=C=N1	642847874	MUCGVJFQGACBOP-UHFFFAOYSA-N	177.167	-1.077	70	10	AAIE	
O=C1NCCB(O)N1	238658975	CWYLBLSHKHQZQY-UHFFFAOYSA-N	113.913	-1.220	70	10	AAIE	
CN1N=C=N[C-]1CN[C@H]1COC[C@@H]1O	885894839	WQQGFDOYGKXJLA-BQBZGAKWSA-N	197.218	-1.141	70	10	AAIE	
CO[C@H]1CN(S(=O)(=O)F)C[C@H]1N	2241921379	WBTVPOGDUDKVDB-UHNVWZDZSA-N	198.219	-1.141	70	10	AAIE	
O=S(=O)(F)NCC1(O)CNC1	2241920234	HCSHLQUWQWRUDP-UHFFFAOYSA-N	184.192	-1.875	70	10	AAIE	
C[N+]1=C=C(C(=O)N[C]2N=C=NN2)NN1	885206479	NSLHACWPIHLNQS-UHFFFAOYSA-O	193.170	-2.540	70	10	AAIE	
CCNS(=O)(=O)NC[C@@H](O)CO	160713561	XNBLWOLSGRECJB-RXMQYKEDSA-N	198.244	-2.217	70	10	AAIE	
CNS(=O)(=O)NC[C@@](C)(O)CO	160715068	NCRORFCCTFDCNL-RXMQYKEDSA-N	198.244	-2.217	70	10	AAIE	
O=S(=O)(F)NCC1(CO)CNC1	2241919802	AJIMZRBHURICBM-UHFFFAOYSA-N	198.219	-1.628	70	10	AAIE	
N[C-]1N=C=NC(=[N+]2CC3(COC3)C2)N1	885613899	KMZBNACAXIIMSQ-UHFFFAOYSA-O	193.210	-1.432	70	10	AAIE	
O=C(O)[C@@H]1C[C@H]1C(=O)N[C]1N=C=NN1	885215191	SACLBSLLCYHFBQ-QWWZWVQMSA-N	195.158	-1.038	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)[C@H]1COCCN1	885894783	QKQHNXAOKHBRLF-RQJHMYQMSA-N	197.218	-1.141	70	10	AAIE	
NC[C@H](O)CNS(=O)(=O)F	2241920111	FLVGDQKSCBYWLO-VKHMYHEASA-N	172.181	-1.890	70	10	AAIE	
C[SiH](C#CCO)C#CCO	238510322	PEUQKKFPXVJYHZ-UHFFFAOYSA-N	154.241	-1.087	70	10	AAIE	
CN1CCNC(=O)[C@H]1CCO	218659535	KYYQQHCPSHUHBS-ZCFIWIBFSA-N	158.201	-1.201	70	10	AAIE	
Cn1ncnc1CNOCC(N)=O	160327792	NBIARKWBNSYIEQ-UHFFFAOYSA-N	185.187	-1.678	70	10	AAIE	
OCC1=C=N/C(=C2\N=C=NN2)N1	885194484	AXVXRYWKQNHFGC-WAYWQWQTSA-N	163.140	-1.046	70	10	AAIE	
NC1=C=NNN1C[C-]1N=C=NO1	885278511	WKDXTNFTOIHDRC-UHFFFAOYSA-N	165.136	-1.200	70	10	AAIE	
Cn1nnnc1NCCn1ccnn1	159623251	HLDVDFNNLYRYPL-UHFFFAOYSA-N	194.202	-1.086	70	10	AAIE	
CNS(=O)(=O)NC[C@@H]1CCNC1	160929683	KDAVHALUWDAHGX-ZCFIWIBFSA-N	193.272	-1.350	70	10	AAIE	
Cn1nccc1CNOCC(N)=O	160296149	HQIOZAZRKYUSHB-UHFFFAOYSA-N	184.199	-1.073	70	10	AAIE	
NCCNS(=O)(=O)F	2241919066	PLIBQDIDNBAOEX-UHFFFAOYSA-N	142.155	-1.251	70	10	AAIE	
CN1N=C=N[C]1C[C@H](N)C1=C=NNN1	885209648	YXSRIWJOFRSYRJ-YFKPBYRVSA-N	192.206	-1.196	70	10	AAIE	
C[C@@H]1C/[N+](=C2/N=C=N[C-](N)N2)C[C@@H]1O	885767993	FIOQBXARQHYNAW-RITPCOANSA-O	195.226	-1.452	70	10	AAIE	
O=C(N[C]1N=C=NN1)[C@H]1COCCO1	885217920	FGRBZMFPVKPRMS-RXMQYKEDSA-N	197.174	-1.343	70	10	AAIE	
C[N+]1=C(Cn2c(=O)[cH-][cH-]c2=O)N=C=N1	885589580	OVTQBGMMJMYVHO-UHFFFAOYSA-N	191.170	-1.210	70	10	AAIE	
N[C@H]1CCOC[C@H]1NS(=O)(=O)F	2241914282	BMLPOPZAPFMHIA-CRCLSJGQSA-N	198.219	-1.094	70	10	AAIE	
NC(=O)CONCC(=O)NC(N)=O	160342657	HPNVCTOYOKFRBJ-UHFFFAOYSA-N	190.159	-2.812	70	10	AAIE	
C[C@]12BBBBBBBBB[C@H]1B2	227516930	BWRZDMVEWILCSC-GBXIJSLDSA-N	158.265	-5.419	70	10	AAIE	
[SiH3][SiH2]CBr	306186459	SLIMZYJUFMWWJU-UHFFFAOYSA-N	155.143	-1.212	70	10	AAIE	
CCSC[C@@H](O)[C@H](O)[C@H](O)CO	217403159	GJCXGDMHAPQQBZ-FSDSQADBSA-N	196.268	-1.186	70	10	AAIE	
C#CC[N+](CC#C)=C1N=C=N[C-](N)N1	885505301	RJPRUDIMEVAYMV-UHFFFAOYSA-O	187.206	-1.196	70	10	AAIE	
C[C@@](N)(CO)CNS(=O)(=O)F	2241914485	FFIBOJDNUXQETR-BYPYZUCNSA-N	186.208	-1.500	70	10	AAIE	
CNC[C@H](C)C(=O)NOCC(N)=O	160347879	QFVKDFANZVWJSJ-YFKPBYRVSA-N	189.215	-1.625	70	10	AAIE	
COCCNS(=O)(=O)NOC	161208862	KFTOCMVLAOZKBO-UHFFFAOYSA-N	184.217	-1.382	70	10	AAIE	
CC12CN3CCN(C1)CC(N)(C3)C2=O	217342898	WBNDXRKVIHQDSP-UHFFFAOYSA-N	195.266	-1.096	70	10	AAIE	
Nc1nc([SiH3])nc2[nH]c([SiH3])nc12	307445392	FGFCHMZKEKSCIX-UHFFFAOYSA-N	195.334	-4.084	70	10	AAIE	
C[C@H](N)C(=O)NC[C-]1N=C=NN1C	885429593	RIKRPQYSRAICLL-YFKPBYRVSA-N	182.207	-1.026	70	10	AAIE	
NC(=O)CNS(=O)(=O)NC1CC1	160451952	GYUUTEYTDAQDND-UHFFFAOYSA-N	193.228	-1.942	70	10	AAIE	
CN1B(O)[C@H](N(C)C)CNC1=O	238289948	APEKNCPHXQNPSW-RXMQYKEDSA-N	171.009	-1.409	70	10	AAIE	
CN1N=C=C([C@H](O)[C-]2N=C=NN2C)N1	885668934	PTLLTWMPPJDZGE-LURJTMIESA-N	193.190	-1.210	70	10	AAIE	
CN1CCN(C)[C@H](CO)C1=O	218659150	UJEPSPZCUKEBEU-ZCFIWIBFSA-N	158.201	-1.249	70	10	AAIE	
N[C@H]1COC[C@H]1NS(=O)(=O)F	2241915632	VCNJRYBAAZYMRP-IUYQGCFVSA-N	184.192	-1.484	70	10	AAIE	
CCONC(=O)[C@@H](N)C(=O)OCC	160110637	GESOICDSABGHRR-RXMQYKEDSA-N	190.199	-1.056	70	10	AAIE	
CCN(CC(=N)N)S(=O)(=O)NC	161120851	DJPOZQXGKBGGBX-UHFFFAOYSA-N	194.260	-1.292	70	10	AAIE	
C1=NN=C(NNC=C2NC#CN2)N=1	885197796	JWDDIPGPUYDOGD-UHFFFAOYSA-N	175.155	-1.551	70	10	AAIE	
CN1N=C=N[C-]1CN[C@H]1CCNC1=O	885768192	MNYRWKZEJSAHRY-LURJTMIESA-N	194.218	-1.012	70	10	AAIE	
CN(CC1(O)CNC1)S(=O)(=O)F	2241932178	CMTWWNVVODDZCU-UHFFFAOYSA-N	198.219	-1.533	70	10	AAIE	
CNS(=O)(=O)NC(C)(CO)CO	160726424	RUBLOKAHIVFUDZ-UHFFFAOYSA-N	198.244	-2.217	70	10	AAIE	
O=C(O)[C@H]1C[C@@H]1C(=O)N[C]1N=C=NN1	885215188	SACLBSLLCYHFBQ-IMJSIDKUSA-N	195.158	-1.038	70	10	AAIE	
CC(C)NC(=O)CNOCC(N)=O	160323066	DCJCLDPAAWTWTP-UHFFFAOYSA-N	189.215	-1.483	70	10	AAIE	
NC(=O)CONC(=O)[C@H]1CCNC1	160349242	STGKHFCVFXBCCQ-YFKPBYRVSA-N	187.199	-1.871	70	10	AAIE	
CN1CCN2C(=O)CNC[C@@H]2C1	218768247	SSKSOGAJELPFFO-SSDOTTSWSA-N	169.228	-1.268	70	10	AAIE	
CN1CCCNC(=O)[C@H]1CN	218642869	ASHZQZFKLWTIHX-ZCFIWIBFSA-N	157.217	-1.235	70	10	AAIE	
CO[C@H]1CNC[C@H]1NS(=O)(=O)F	2241919974	CLPQLXDBEGLPLD-UHNVWZDZSA-N	198.219	-1.223	70	10	AAIE	
O=C(N[C]1N=C=NN1)[C@H]1C[C@H]1C(=O)O	885215190	SACLBSLLCYHFBQ-IUYQGCFVSA-N	195.158	-1.038	70	10	AAIE	
O=C(O)C(=O)CS(=O)(=O)F	725262223	FYDUOCQWTPBIMD-UHFFFAOYSA-N	170.117	-1.061	70	10	AAIE	
CCC[C@@H](N)C(=O)NOCC(N)=O	159604734	DCZHKUUHWXKOMI-RXMQYKEDSA-N	189.215	-1.353	70	10	AAIE	
O=CNCC1CN(S(=O)(=O)F)C1	1953627847	IZJJJWKFYAJHKF-UHFFFAOYSA-N	196.203	-1.122	70	10	AAIE	
CNC[C@H]1C(=O)NCCN1C	218642152	QHCUSFJUWMGNLZ-LURJTMIESA-N	157.217	-1.364	70	10	AAIE	
[SiH3][SiH2]CCl	227756871	AFQQIZUQLQKSIR-UHFFFAOYSA-N	110.692	-1.368	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CCC[C@H]2CO)N1	885767927	YGIYIFWQGMFCLF-LURJTMIESA-O	195.226	-1.308	70	10	AAIE	
O=S(=O)(F)NC1CNC1	2241919248	RUSPABXGQRMLFH-UHFFFAOYSA-N	154.166	-1.238	70	10	AAIE	
CN1NNN=C1C[N+]1=C(CN)N=C=N1	885670887	LCZUNCBSVBFNIH-UHFFFAOYSA-N	195.210	-2.273	70	10	AAIE	
Cc1nnc(CNOCC(N)=O)n1C	160346137	BWYITQQZTWLHCN-UHFFFAOYSA-N	199.214	-1.370	70	10	AAIE	
O[C@@H](CCl)CO[Cl+3](O)(O)O	307487236	VSSRZLOTFBTYNN-VKHMYHEASA-N	196.006	-1.604	70	10	AAIE	
CC(C)(NC1=N[C-](N)N=C=N1)C(N)=O	885803136	RMEHCDURHQAFLU-UHFFFAOYSA-N	195.206	-1.211	70	10	AAIE	
CCOC(=O)[C@H](N)C(=O)NC(N)=O	160117633	UEFCXMYAVAXICC-GSVOUGTGSA-N	189.171	-1.928	70	10	AAIE	
C[C@H]1CN(C)[C@H](CN)C(=O)N1	218642679	NWJQASBVXRLLBZ-NTSWFWBYSA-N	157.217	-1.236	70	10	AAIE	
NC(=O)C[SiH3]	227650895	NCLIGEZQAPUUQU-UHFFFAOYSA-N	89.170	-1.745	70	10	AAIE	
NC(=O)CONC(=O)[C@@H]1CCCN1	159603817	CDLNINAJQIPMLQ-YFKPBYRVSA-N	187.199	-1.729	70	10	AAIE	
N#CNCCNC(N)=O	161173747	UKZSKNHLTHRXEW-UHFFFAOYSA-N	128.135	-1.275	70	10	AAIE	
CN1N=C=N[C-]1CN1C#CN[C-]1CN	885594296	LKFWPSLHSPAQED-UHFFFAOYSA-N	190.210	-1.218	70	10	AAIE	
CCN1CC(=O)N[C@H](CN)C1	218643198	PKSMPAPVTACKPG-ZCFIWIBFSA-N	157.217	-1.235	70	10	AAIE	
NC(=O)CONCc1ncccn1	160325433	CAHBWTZRTKWJAO-UHFFFAOYSA-N	182.183	-1.017	70	10	AAIE	
CN1N=C([C@H](O)C2=[N+](C)N=C=N2)NN1	885745552	ZVECSHXZEGEAMS-BYPYZUCNSA-N	196.194	-2.241	70	10	AAIE	
CN(CC(F)F)C[C@H](N)C(N)=O	159391230	CGYTXULUNKFFOJ-BYPYZUCNSA-N	181.186	-1.004	70	10	AAIE	
COCCOCCNOCC(N)=O	160327532	GAYNWYQMBXGHPD-UHFFFAOYSA-N	192.215	-1.344	70	10	AAIE	
COCNC(=O)NCCOCCO	217310287	BLGVYWZILNBSDU-UHFFFAOYSA-N	192.215	-1.102	70	10	AAIE	
OCC1=C=N/C(=C2/N=C=NN2)N1	885194483	AXVXRYWKQNHFGC-AATRIKPKSA-N	163.140	-1.046	70	10	AAIE	
N=c1nn[nH]n1CCN1N=C=NN1	885388268	OLMTWMLONJZNRF-UHFFFAOYSA-N	181.163	-2.090	70	10	AAIE	
O=C(NCC1=C=NNN1)C1=NN=C=N1	885206379	IXCRKAJGWJFUJG-UHFFFAOYSA-N	191.154	-1.820	70	10	AAIE	
O=S(=O)(F)NC[C@]1(O)CCNC1	2241915939	ZQFCHMIOAGRQIJ-YFKPBYRVSA-N	198.219	-1.485	70	10	AAIE	
[SiH3]O[C@H]1CNCCO1	227735959	IFNWSDRGVKBTSQ-BYPYZUCNSA-N	133.223	-1.771	70	10	AAIE	
NC(=O)CONCCn1cccn1	160338544	GIBWHYPBAXVGPM-UHFFFAOYSA-N	184.199	-1.110	70	10	AAIE	
CC[C@H](NOCC(N)=O)C(=O)OC	160297444	TXGWIBUSZNTXKN-YFKPBYRVSA-N	190.199	-1.056	70	10	AAIE	
N[C@H]1C[C@H](O)CN(S(=O)(=O)F)C1	2241920426	JSWCJEOMUBATSR-WHFBIAKZSA-N	198.219	-1.405	70	10	AAIE	
N[C@H]1CCOC[C@@H]1NS(=O)(=O)F	2241914284	BMLPOPZAPFMHIA-WHFBIAKZSA-N	198.219	-1.094	70	10	AAIE	
CCNCCC(=O)NOCC(N)=O	160349485	XKNKUKVNHVUWTF-UHFFFAOYSA-N	189.215	-1.481	70	10	AAIE	
CO[C@@H]1CC/[N+](=C2/N=C=N[C-](N)N2)C1	885767844	AGMPXRHHOUEITK-ZCFIWIBFSA-O	195.226	-1.044	70	10	AAIE	
CC[C@H](N)CC(=O)NOCC(N)=O	160362792	NQBBOUCAXJBCDD-YFKPBYRVSA-N	189.215	-1.353	70	10	AAIE	
CN1CC[C@H](N(C)C(=O)C(N)=O)C1	218670017	WVNSHZWZKJVTLP-LURJTMIESA-N	185.227	-1.366	70	10	AAIE	
C[C@@]12BBBBBBBBB[C@H]1B2	227516935	BWRZDMVEWILCSC-PWNYCUMCSA-N	158.265	-5.419	70	10	AAIE	
NC1=C=C(C2=NN=C=N2)NN1	885193763	WXCCYIOGSVVVOK-UHFFFAOYSA-N	148.129	-1.122	70	10	AAIE	
N[C@H]1C[C@@H]1NS(=O)(=O)F	2241918861	MRJPOXPYEOTABG-HRFVKAFMSA-N	154.166	-1.110	70	10	AAIE	
CN1N=C=N[C]1[C@@H](O)C1=C=NNN1	885199304	FZWSHKJBBJCWNV-YFKPBYRVSA-N	179.163	-1.553	70	10	AAIE	
C[C@@H](N)C1=C=[N+](C[C-]2N=C=NO2)NN1	885668972	UKOZLZQIAQDIKA-RXMQYKEDSA-N	194.198	-1.469	70	10	AAIE	
C[C@H]1CN[C@H](CO)C(=O)N1C	218658457	DFXWWHGZSKGHIU-NTSWFWBYSA-N	158.201	-1.203	70	10	AAIE	
C1=NN=C(NN/C=C2\C#CNN2)N=1	885197920	UZEIDIDWWCZFHQ-HWKANZROSA-N	175.155	-1.551	70	10	AAIE	
CNC(=O)N(C)[SiH3]	227745698	DRXOBIUKGBENRT-UHFFFAOYSA-N	118.212	-1.462	70	10	AAIE	
C[C@@H]1C[C@H](O)C/[N+]1=C1/N=C=N[C-](N)N1	885768251	SCEYPVKOSYLBCJ-RITPCOANSA-O	195.226	-1.309	70	10	AAIE	
N[C-]1N=C=NC(=[N+]2C[C@H](O)[C@H](O)C2)N1	885843355	FCSRZLGZQMWSQK-SYDPRGILSA-O	197.198	-2.727	70	10	AAIE	
N[C@H](CO)CNS(=O)(=O)F	2241920626	LVODTRUIFFPVQE-VKHMYHEASA-N	172.181	-1.890	70	10	AAIE	
CN(C)S(=O)(=O)NOCC(N)=O	160321326	KXAVKNMHCXSPGG-UHFFFAOYSA-N	197.216	-2.201	70	10	AAIE	
C[C@@H](O)C(=O)O[SiH3]	238419319	QBMDWHIIRGUAOX-UWTATZPHSA-N	120.180	-1.809	70	10	AAIE	
CNS(=O)(=O)NOCCOC	160455962	XRSZAMJKSMNKNB-UHFFFAOYSA-N	184.217	-1.382	70	10	AAIE	
CO[C@@H](C)C(=O)N(CCO)CCO	160999321	FSUISRMCLYLJDI-ZETCQYMHSA-N	191.227	-1.166	70	10	AAIE	
CNC(=O)N1CC(=O)NC(=O)C1	160333830	PGISXHIJANWWEU-UHFFFAOYSA-N	171.156	-1.716	70	10	AAIE	
CC(=O)N[C@@H](C)C(=O)N[C]1N=C=NN1	885216993	FPMDRXZPKMBHSO-BYPYZUCNSA-N	196.190	-1.234	70	10	AAIE	
N[C@@H]1C[C@H](O)CN(S(=O)(=O)F)C1	2241920425	JSWCJEOMUBATSR-UHNVWZDZSA-N	198.219	-1.405	70	10	AAIE	
NC[C@H]1COCCN1CCC(N)=O	159548220	RRDCKUOAHCSDAJ-ZETCQYMHSA-N	187.243	-1.479	70	10	AAIE	
CN1N=C=N[C-]1CNC(=O)C1CNC1	885768105	IGSGMNFJBKXXHP-UHFFFAOYSA-N	194.218	-1.154	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CC[C@@H](O)C2)N1	642827975	QZQAXDRHUYLWTA-RXMQYKEDSA-O	181.199	-1.698	70	10	AAIE	
NCC1=C=[N+](C[C-]2N=C=NO2)NN1	885374881	PFRWXSBWNFGTLV-UHFFFAOYSA-N	180.171	-1.857	70	10	AAIE	
C[C@@H]1CN[C@@H](CO)C(=O)N1C	218658533	DFXWWHGZSKGHIU-RITPCOANSA-N	158.201	-1.203	70	10	AAIE	
OC[C@H](O)[C@@H](O)OC[C@H](O)C(O)O	217659201	RUCVFJSZUQDRKY-FKZODXBYSA-N	198.171	-3.654	70	10	AAIE	
C[C@H](O)C(=O)O[SiH3]	238484410	QBMDWHIIRGUAOX-REOHCLBHSA-N	120.180	-1.809	70	10	AAIE	
O=C(C[C-]1C#CNN1)NC1=NN=C=N1	885206340	JBAYPCAFSYJUFT-UHFFFAOYSA-N	189.158	-1.448	70	10	AAIE	
CNS(=O)(=O)NC[C@](C)(O)CO	160715202	NCRORFCCTFDCNL-YFKPBYRVSA-N	198.244	-2.217	70	10	AAIE	
CCC(CO)(CO)NC(=O)[C@H](C)N	218668849	AHZHOVRLPHGMHO-LURJTMIESA-N	190.243	-1.417	70	10	AAIE	
C[C@H]1COCC/[N+]1=C1/N=C=N[C-](N)N1	885767984	DOSAZRWMHKRNAH-LURJTMIESA-O	195.226	-1.044	70	10	AAIE	
C[C@H](CO)O[Cl+3](O)(O)O	196465773	WZOSXFVPDWGLQG-GSVOUGTGSA-N	161.561	-1.823	70	10	AAIE	
O=C1C[C@@H]([C-]2N=C=NO2)NN1	885247138	NJAGLSUHEXFILC-VKHMYHEASA-N	153.121	-1.012	70	10	AAIE	
NCC1(O)CN(S(=O)(=O)F)C1	2241918623	JNLCYPRPUCCFHN-UHFFFAOYSA-N	184.192	-1.794	70	10	AAIE	
NCC(O)=[P+]([O-])C[C@@H](O)CO	216029055	FRZNXCXLDSWJFV-BYPYZUCNSA-N	181.128	-2.442	70	10	AAIE	
C[C@H]1CN(C)C(=O)[C@@H](CO)N1	218658959	CXWDAMUUYBJWSZ-NTSWFWBYSA-N	158.201	-1.203	70	10	AAIE	
CCC[C@H](O)CNC1=NC(=O)C(=O)N1	218000191	ALEKUAUCSMMKIH-YFKPBYRVSA-N	199.210	-1.251	70	10	AAIE	
CO[C@H](C)C(=O)NC[C@@H](O)CO	160963741	MNTCYWCVKMQLJH-PHDIDXHHSA-N	177.200	-1.509	70	10	AAIE	
CN1CC(=O)N(C)[C@@H](CN)C1	218643448	BNKLJAFBFCWXFQ-LURJTMIESA-N	157.217	-1.283	70	10	AAIE	
CN([C@H]1CNC[C@@H]1O)S(=O)(=O)F	2241914264	BENURSALHXBXCY-WHFBIAKZSA-N	198.219	-1.535	70	10	AAIE	
NC(=O)[C@H]1NC=P[C@H]1N	104598867	ZZFZWXARFQYQIK-VVJJHMBFSA-N	145.102	-1.566	70	10	AAIE	
CNC(=O)CN(C)S(=O)(=O)F	1923856175	MXTRNLXZHDXDJQ-UHFFFAOYSA-N	184.192	-1.122	70	10	AAIE	
[SiH3]C([SiH3])Cl	306298931	HMLZKYWHPBLZIN-UHFFFAOYSA-N	110.692	-1.760	70	10	AAIE	
CCNS(=O)(=O)N[C@@H](C)C(=N)N	161137435	ARBGRPAGZXDODG-BYPYZUCNSA-N	194.260	-1.245	70	10	AAIE	
CCN1N=C=N[C]1[C@H](O)C1=C=NNN1	885210562	WKGSHQIJTKXNJH-ZCFIWIBFSA-N	193.190	-1.162	70	10	AAIE	
C[C@H](N)CCC(=O)NOCC(N)=O	160348718	JOKWJBJRXJORTF-YFKPBYRVSA-N	189.215	-1.353	70	10	AAIE	
NC(=O)CONC(=O)[C@H]1C=C[C@H](N)C1	160359087	DSCCTNVUVMNTSI-WDSKDSINSA-N	199.210	-1.577	70	10	AAIE	
CO[C-]1N=C=NC(N2NC#CN2)=C1N	885590493	AJIZOLHMLOTDNJ-UHFFFAOYSA-N	191.174	-1.319	70	10	AAIE	
N[C@H]1COCCN(S(=O)(=O)F)C1	2241914872	KKLZEVVXRWJZJB-RXMQYKEDSA-N	198.219	-1.140	70	10	AAIE	
CC(=O)[C@H](C)O[Cl+3](O)(O)O	238464827	BFJUVTUZPHZUCD-BYPYZUCNSA-N	173.572	-1.226	70	10	AAIE	
NC[C@H]1COCCN1S(=O)(=O)F	2241914411	DHOASWKPAMCBHG-YFKPBYRVSA-N	198.219	-1.140	70	10	AAIE	
NC[C@H]1CN(C2CC2)CC(=O)N1	218767131	WBJHOWBGUAHQDA-LURJTMIESA-N	169.228	-1.092	70	10	AAIE	
CN1N=C=N[C-]1CN=c1nn[nH]n1C	885671031	SYEBJOFSWPXRQH-UHFFFAOYSA-N	193.194	-1.432	70	10	AAIE	
C[C@H](ON)C(=O)N[C-]1N=C=NN1C	885470851	RILCYGHYULLGLN-BYPYZUCNSA-N	184.179	-1.137	70	10	AAIE	
NCC1(C(=O)NOCC(N)=O)CC1	160351476	HRPMPDZMACIHTP-UHFFFAOYSA-N	187.199	-1.742	70	10	AAIE	
OC[C@H](O)[C@H](O)OC[C@H](O)C(O)O	217659371	RUCVFJSZUQDRKY-RVJQKOHUSA-N	198.171	-3.654	70	10	AAIE	
N[C@H](CS(=O)(=O)Cl)C(=O)O	306876409	BSRNMQNVJNKTRX-UWTATZPHSA-N	187.604	-1.033	70	10	AAIE	
CCS(=O)(=O)NOCC(N)=O	160322019	HYVXIOAPRXLUKX-UHFFFAOYSA-N	182.201	-1.657	70	10	AAIE	
CO[C@H]1CNC[C@@H]1NS(=O)(=O)F	2241919975	CLPQLXDBEGLPLD-WHFBIAKZSA-N	198.219	-1.223	70	10	AAIE	
O=S(=O)(F)N[C@H]1CNOC1	2241914423	DKHHDQCIKYRQGH-VKHMYHEASA-N	170.165	-1.306	70	10	AAIE	
COC(=O)[C@@H](C)CNOCC(N)=O	160330879	AZAAKXRJEWQACZ-YFKPBYRVSA-N	190.199	-1.198	70	10	AAIE	
N[C@H]1CCN(CCN2N=C=NN2)C1	642845570	GJWGEXPPCAXYNW-ZETCQYMHSA-N	182.231	-1.157	70	10	AAIE	
O=C1NC[C@H]([C@H]2CNC(=O)N2)N1	216915927	FPUGYFYIMCODQR-QWWZWVQMSA-N	170.172	-1.651	70	10	AAIE	
CO[C@@H](CN)CNS(=O)(=O)F	1888846706	ZUPQYTYTPVUEJO-BYPYZUCNSA-N	186.208	-1.236	70	10	AAIE	
[SiH3]C[SiH](C[SiH3])C[SiH3]	238678939	FSDJIXWDVNLEJP-UHFFFAOYSA-N	164.505	-2.818	70	10	AAIE	
NC[C@H]1COC[C@H]1NS(=O)(=O)F	2241919719	ZHPTUJIEEJUCOF-CRCLSJGQSA-N	198.219	-1.236	70	10	AAIE	
N=C(N)NCCn1ccnn1	159611879	UFPALQFNTSZPQF-UHFFFAOYSA-N	154.177	-1.239	70	10	AAIE	
N[C-]1N=C=N/C(=N/[C@H]2CNC(=O)C2)N1	885668903	LMSBNEINVFHDNL-SCSAIBSYSA-N	193.190	-1.586	70	10	AAIE	
CCCNC(=O)[C@H](O)CN	218573696	XOHLJCCRNHBBII-RXMQYKEDSA-N	146.190	-1.168	70	10	AAIE	
CCC[C@H](N)C(=O)NOCC(N)=O	159604628	DCZHKUUHWXKOMI-YFKPBYRVSA-N	189.215	-1.353	70	10	AAIE	
CCNS(=O)(=O)NCCC(=N)N	161113704	HHSIVUDFFNWIBU-UHFFFAOYSA-N	194.260	-1.244	70	10	AAIE	
COC(OC)[C@@H](N)[SiH3]	227674638	OTRQDARSSYGDIY-VKHMYHEASA-N	135.239	-1.745	70	10	AAIE	
N[C@H](CS(=O)(=O)F)C(=O)O	2208932646	FJPRIAPYHYGCJR-UWTATZPHSA-N	171.149	-1.302	70	10	AAIE	
NS(=O)(=O)NCCn1ccnn1	159619438	JHVFNFQCTYBYCF-UHFFFAOYSA-N	191.216	-1.929	70	10	AAIE	
CNC(=O)CN(C)C1=N[C-](N)N=C=N1	885803031	GOUGHSKGZRPVOJ-UHFFFAOYSA-N	195.206	-1.387	70	10	AAIE	
C[C@@H]1CN[C@H](CO)C(=O)N1C	218658379	DFXWWHGZSKGHIU-PHDIDXHHSA-N	158.201	-1.203	70	10	AAIE	
C[C@@H]1CNC(=O)[C@H](CO)N1C	218659623	ZLBDZTJLXBJWNF-RITPCOANSA-N	158.201	-1.203	70	10	AAIE	
CCCNCC(=O)NOCC(N)=O	160352422	RYVFUTZBMGIIPE-UHFFFAOYSA-N	189.215	-1.481	70	10	AAIE	
O=S(=O)(F)NC1(CO)CNC1	2241918473	IKUIAFPZQISGIM-UHFFFAOYSA-N	184.192	-1.875	70	10	AAIE	
Cc1nonc1CNOCC(N)=O	160327678	OSERJJIXEUSWEJ-UHFFFAOYSA-N	186.171	-1.115	70	10	AAIE	
CCOC(=O)[C@H](C)NOCC(N)=O	160946603	OUCWKZWCARKBOH-YFKPBYRVSA-N	190.199	-1.056	70	10	AAIE	
CN1N=C=N[C-]1C[C@@H](N)C(N)=O	885308440	JWXFQWZPDRVFSM-SCSAIBSYSA-N	168.180	-1.287	70	10	AAIE	
N[C@@H]1CN(CCN2N=C=NN2)C1=O	885404229	BDMVKFQJVVKRCW-RXMQYKEDSA-N	182.187	-2.020	70	10	AAIE	
N[C@H]1COC[C@@H]1NS(=O)(=O)F	2241915631	VCNJRYBAAZYMRP-IMJSIDKUSA-N	184.192	-1.484	70	10	AAIE	
N[C@@H]1C[C@H]1NS(=O)(=O)F	2241918862	MRJPOXPYEOTABG-PWNYCUMCSA-N	154.166	-1.110	70	10	AAIE	
N[C@@H]1C[C@@H](O)CN(S(=O)(=O)F)C1	2241920424	JSWCJEOMUBATSR-RFZPGFLSSA-N	198.219	-1.405	70	10	AAIE	
O=S(=O)(F)NC[C@@H]1COCCN1	2241914774	JBBKFZHAXSFDOU-RXMQYKEDSA-N	198.219	-1.221	70	10	AAIE	
NC(=O)[C@H]1P=CN[C@H]1N	104598871	OSSYDJGBUNEXCF-STHAYSLISA-N	145.102	-1.566	70	10	AAIE	
CN1C#CN[C-]1[C@@H](O)[C-]1N=C=NN1C	885614914	PUXBBIVCTPBIAM-ZCFIWIBFSA-N	191.194	-1.186	70	10	AAIE	
CC(=O)NCCN[C@@H](C)CC(N)=O	218561234	DMXRMGPXCCSECS-LURJTMIESA-N	187.243	-1.024	70	10	AAIE	
N[C@@H]1COCC[C@H]1NS(=O)(=O)F	2241914323	CDJSZTSULGCHSV-RFZPGFLSSA-N	198.219	-1.094	70	10	AAIE	
CCOC(=O)[C@H](N)C(=O)NCCO	160048675	DKZNSUSTMPWGDM-RXMQYKEDSA-N	190.199	-2.015	70	10	AAIE	
NC[C@H]1CN(S(=O)(=O)F)CCO1	2241915526	TUHXMIJCWNHJQU-YFKPBYRVSA-N	198.219	-1.140	70	10	AAIE	
C[C@H](NOCC(N)=O)C(=O)N(C)C	160324543	RWDQUPYEEUFPGF-YFKPBYRVSA-N	189.215	-1.530	70	10	AAIE	
N[C@H](CO)CNS(=O)(=O)F	2241918810	LVODTRUIFFPVQE-VKHMYHEASA-N	172.181	-1.890	70	10	AAIE	
CCN1CCN[C@H](CO)C1=O	218658208	INPBDKBKDJBXOB-ZCFIWIBFSA-N	158.201	-1.201	70	10	AAIE	
[SiH3]C1([SiH3])[C@@H]2CC[C@H]1N=N2	238678850	CGOOIEIIHIKVGQ-ZXZARUISSA-N	156.337	-1.170	70	10	AAIE	
NC(=O)[C@@H](N)CN1CC[C@@H](CO)C1	159390640	JPXZNYYAFUSLKJ-RQJHMYQMSA-N	187.243	-1.887	70	10	AAIE	
NC[C@@H]1COCCN1CCC(N)=O	159548362	RRDCKUOAHCSDAJ-SSDOTTSWSA-N	187.243	-1.479	70	10	AAIE	
O=S(=O)(F)N1CCNC[C@H]1CO	2241914951	LMPINOFPMJTTNV-YFKPBYRVSA-N	198.219	-1.533	70	10	AAIE	
NS(=O)(=O)CCS(=O)(=O)F	958538680	DRCCYVLYRWYDLH-UHFFFAOYSA-N	191.205	-1.426	70	10	AAIE	
NC(=O)NC(=O)Cn1cccnc1=O	160870954	KPWVEMWFLSPEAA-UHFFFAOYSA-N	196.166	-1.562	70	10	AAIE	
CN1C[C@H](CN)NC1=O	218537962	IGPFYVSVUOETTB-BYPYZUCNSA-N	129.163	-1.031	70	10	AAIE	
CN1CC[C@@]2(C1)OC(N)=NC2=O	160715214	AQAIIYXNAQYNNW-ZETCQYMHSA-N	169.184	-1.068	70	10	AAIE	
CN1CCN(C)[C@H](CN)C1=O	218641795	XDKAQSGIBDQOBM-ZCFIWIBFSA-N	157.217	-1.283	70	10	AAIE	
OCCCO[Cl+3](O)(O)O	238673624	JBVCDOMBTRQLMM-UHFFFAOYSA-N	161.561	-1.821	70	10	AAIE	
CCOC(=O)[C@@H](N)C(=O)NC#N	160117512	YWCKYRWPNCQBCN-BYPYZUCNSA-N	171.156	-1.526	70	10	AAIE	
CN1CCO[C@H](CN)C1=O	218567057	HGTHPPFLNSPVQA-RXMQYKEDSA-N	144.174	-1.198	70	10	AAIE	
NC[C@H]1C[C@@H](O)CN1S(=O)(=O)F	2241920455	KCITXSCXUACNRL-RFZPGFLSSA-N	198.219	-1.405	70	10	AAIE	
O=S(=O)(F)N[C@H]1CCNC[C@@H]1O	2241915394	RGOFWJMWFLRDFO-WHFBIAKZSA-N	198.219	-1.487	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)[C@]1(N)CCOC1	885894670	HFZDHZQPBXAUAF-SVRRBLITSA-N	197.218	-1.011	70	10	AAIE	
NC(=O)[C@@H]1NC=P[C@H]1N	104598860	ZZFZWXARFQYQIK-ZAFYKAAXSA-N	145.102	-1.566	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)C1=C=S=NN1	642816176	QQHYRKCQGPDQBB-YFKPBYRVSA-N	196.215	-1.060	70	10	AAIE	
NC1=C(NC=O)[C-](N)N=C=N1	885243710	ISSBDDUOELTZMA-UHFFFAOYSA-N	152.137	-1.504	70	10	AAIE	
CN1N=C=N[C-]1C#CC1(O)CNC1	885359431	CNXGMHXRMULQQL-UHFFFAOYSA-N	177.187	-1.152	70	10	AAIE	
CCOC(=O)[C@H](N)C(=O)N(C)OC	160079867	YLLMGUZTIAYSDP-RXMQYKEDSA-N	190.199	-1.103	70	10	AAIE	
NC(=O)C1(O)CN(C[B-](F)(F)F)C1	1915344950	CSGJEZPBUNTYFQ-UHFFFAOYSA-N	196.945	-1.095	70	10	AAIE	
CN1N=C=N[C-]1NC(=O)C#CCN	885367205	HDXZYBBESPQCKV-UHFFFAOYSA-N	178.175	-1.454	70	10	AAIE	
N[C@@H]1CCOC[C@H]1NS(=O)(=O)F	2241914283	BMLPOPZAPFMHIA-RFZPGFLSSA-N	198.219	-1.094	70	10	AAIE	
CN1CCCNC(=O)[C@@H]1CN	218642780	ASHZQZFKLWTIHX-LURJTMIESA-N	157.217	-1.235	70	10	AAIE	
O=S(=O)(F)N[C@H]1CCNC[C@H]1O	2241915392	RGOFWJMWFLRDFO-CRCLSJGQSA-N	198.219	-1.487	70	10	AAIE	
CCCNS(=O)(=O)NCC(=N)N	161117236	SSWUOHHRVRAYJF-UHFFFAOYSA-N	194.260	-1.244	70	10	AAIE	
NC(=O)C1(N)CN(C[B-](F)(F)F)C1	1953654321	IOHYVOIAOXBXTJ-UHFFFAOYSA-N	195.961	-1.129	70	10	AAIE	
CCN1CCNC(=O)[C@H]1CN	218641971	NATFWDNYANMMGV-ZCFIWIBFSA-N	157.217	-1.235	70	10	AAIE	
CO[C@@H](C)C(=O)NC[C@H](O)CO	160963401	MNTCYWCVKMQLJH-WDSKDSINSA-N	177.200	-1.509	70	10	AAIE	
CC[C@@H](NS(=O)(=O)NC)C(=N)N	161127357	UUIOFDCHPAISRT-SCSAIBSYSA-N	194.260	-1.245	70	10	AAIE	
NC(=O)CCC(C(N)=O)C(N)=O	217545152	QGVQLXURZDFIDQ-UHFFFAOYSA-N	173.172	-2.161	70	10	AAIE	
CN1NNN=C1[C@H](O)[C-]1C#CN=C=N1	885590809	WMTKREOTIJWZPR-ZCFIWIBFSA-N	191.174	-1.704	70	10	AAIE	
CNS(=O)(=O)NCCC(N)=S	160572713	MLZQZXBNKFQBNT-UHFFFAOYSA-N	197.285	-1.284	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](N)C1=C=[N+](C)NN1	885615593	YEKXMBJKCRCEQV-LURJTMIESA-N	193.214	-1.944	70	10	AAIE	
CO[C@H]([C@H](C)O)[C@H](O)[C@H](O)CO	218520634	YKUVNVZSMFZEGL-BDVNFPICSA-N	180.200	-1.904	70	10	AAIE	
CO[C@H](C)C(=O)NC[C@H](O)CO	160963528	MNTCYWCVKMQLJH-RITPCOANSA-N	177.200	-1.509	70	10	AAIE	
CCN(C)C(=O)CNC(=S)NN	218569334	MKXLMDDEZPLDMA-UHFFFAOYSA-N	190.272	-1.198	70	10	AAIE	
CNCCNCCCNCCNC	217681020	JPYIOLMRZWSLKG-UHFFFAOYSA-N	188.319	-1.006	70	10	AAIE	
[SiH3][Si]([SiH3])[SiH3]	256057113	NGPYGJHPFRZHPN-UHFFFAOYSA-N	121.416	-3.933	70	10	AAIE	
NC(=O)CON[C@@H]1CC(=O)NC1=O	160344441	SNBJDDYARICDBJ-GSVOUGTGSA-N	187.155	-2.592	70	10	AAIE	
B1BB[C@H]2BBBB[C@H]2BB1	195797852	MCHSQCXVSDCSNF-XIXRPRMCSA-N	132.418	-5.161	70	10	AAIE	
B1BB[C@H]2BBBB[C@@H]2BB1	195797853	MCHSQCXVSDCSNF-JCYAYHJZSA-N	132.418	-5.161	70	10	AAIE	
CN1NNN=C1[C@@H](O)[C-]1C#CN=C=N1	885590805	WMTKREOTIJWZPR-LURJTMIESA-N	191.174	-1.704	70	10	AAIE	
CCOC(=O)[C@@H](N)C(=O)NC(N)=O	160117768	UEFCXMYAVAXICC-VKHMYHEASA-N	189.171	-1.928	70	10	AAIE	
CNS(=O)(=O)NOCC(N)=O	160458299	DSNSLEUVBGACCO-UHFFFAOYSA-N	183.189	-2.543	70	10	AAIE	
CNS(=O)(=O)NCc1cn[nH]c1	160770544	GIZOMGUNZBXXIS-UHFFFAOYSA-N	190.228	-1.037	70	10	AAIE	
CCNS(=O)(=O)NCC(=N)N	161117108	TUUXAYMNVXPKPM-UHFFFAOYSA-N	180.233	-1.634	70	10	AAIE	
C[C@H](CO)CN(CCO)CCO	160941920	MPBBJCWBLXUNAC-QMMMGPOBSA-N	177.244	-1.099	70	10	AAIE	
NC[C@@H](O)CNS(=O)(=O)F	2241920110	FLVGDQKSCBYWLO-GSVOUGTGSA-N	172.181	-1.890	70	10	AAIE	
O=C1[C@H](CO)NCCN1C1CC1	218781783	WXZSZCAZPROYDW-ZETCQYMHSA-N	170.212	-1.059	70	10	AAIE	
CCNC(=O)[C@H](C)NOCC(N)=O	160338339	ZWTBOVGTUCCGEJ-YFKPBYRVSA-N	189.215	-1.483	70	10	AAIE	
N[C-]1N=C=NC(=[N+]2C[C@@H](O)[C@H](O)C2)N1	885843354	FCSRZLGZQMWSQK-RFZPGFLSSA-O	197.198	-2.727	70	10	AAIE	
CCCN(CCO)S(N)(=O)=O	161019870	WFZLKOFYKZJCSZ-UHFFFAOYSA-N	182.245	-1.106	70	10	AAIE	
CNS(=O)(=O)NC[C@@H](C)C(=N)N	161125493	GRQHTRFVYZYKMC-SCSAIBSYSA-N	194.260	-1.388	70	10	AAIE	
O=C1NC=CB(O)N1	238659066	RTBSLUSZSWPSTD-UHFFFAOYSA-N	111.897	-1.167	70	10	AAIE	
N#CC[N+](CC#N)=C1N=C=N[C-](N)N1	885535338	QFAVTMTVNXXBTK-UHFFFAOYSA-O	189.182	-1.415	70	10	AAIE	
COC(=O)C[C@@H](C)NOCC(N)=O	160323839	FNENNFXWDWVBNI-RXMQYKEDSA-N	190.199	-1.056	70	10	AAIE	
CO[C@H](C)C(=O)NCCNC(N)=O	160631504	FXWHZVADUTVUIM-RXMQYKEDSA-N	189.215	-1.194	70	10	AAIE	
N[C@@H]1C[C@@H]1NS(=O)(=O)F	2241918860	MRJPOXPYEOTABG-GBXIJSLDSA-N	154.166	-1.110	70	10	AAIE	
COC(=O)CNC(=O)/C=C/CN	217346741	HAMVCMBKUREDAT-NSCUHMNNSA-N	172.184	-1.210	70	10	AAIE	
C[C@@H](CCN)C(=O)NOCC(N)=O	160359522	XINSRQCPLBBQKJ-YFKPBYRVSA-N	189.215	-1.496	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)[C@@H]1CNCCO1	885894832	VUCIBZTVLICEMU-BQBZGAKWSA-N	197.218	-1.141	70	10	AAIE	
NCC(O)=[P+]([O-])C[C@H](O)CO	216029102	FRZNXCXLDSWJFV-SCSAIBSYSA-N	181.128	-2.442	70	10	AAIE	
N[C-]1N=C=N/C(=N/[C@@H]2COC[C@H]2O)N1	885843367	GWZOWDHMYYNWQK-RFZPGFLSSA-N	196.190	-1.715	70	10	AAIE	
CN1N=C(C[N+]2=C(CN)N=C=N2)NN1	885670821	CXSNKZSWLOOZFL-UHFFFAOYSA-N	195.210	-2.273	70	10	AAIE	
C[C@]12BBBBBBBBB[C@@H]1B2	227516942	BWRZDMVEWILCSC-HRFVKAFMSA-N	158.265	-5.419	70	10	AAIE	
O=S(=O)(F)N[C@@]1(CO)CCNC1	2241920943	PZFGUVUYIGGPFG-YFKPBYRVSA-N	198.219	-1.485	70	10	AAIE	
NC(=O)[C@@H]1P=CN[C@@H]1N	104598884	OSSYDJGBUNEXCF-GBXIJSLDSA-N	145.102	-1.566	70	10	AAIE	
CN1N=C(C(=O)[C-]2C#CN=C=N2)NN1	885555230	CJEDNAFYXHBWCZ-UHFFFAOYSA-N	189.158	-1.496	70	10	AAIE	
C[C@H](C(N)=O)N(C)C1=N[C-](N)N=C=N1	885803025	FEWUFZCULAJVEF-SCSAIBSYSA-N	195.206	-1.259	70	10	AAIE	
C[C@@H](C=O)O[SiH3]	238464946	PISXFRKMFSRNDM-VKHMYHEASA-N	104.181	-1.129	70	10	AAIE	
Cn1cnc(CNC(=N)N)n1	218721581	PYCGADOBILLREL-UHFFFAOYSA-N	154.177	-1.202	70	10	AAIE	
NC1CC(O)(CNS(=O)(=O)F)C1	2241915682	VWAQSJBBIYQGBD-UHFFFAOYSA-N	198.219	-1.358	70	10	AAIE	
CCOC(=O)CCNOCC(N)=O	160334929	ZNCUEUKLPZUOEE-UHFFFAOYSA-N	190.199	-1.054	70	10	AAIE	
CN1N=C=N[C-]1CN[C@@H]1COC[C@@H]1O	885894842	WQQGFDOYGKXJLA-RQJHMYQMSA-N	197.218	-1.141	70	10	AAIE	
CCNS(=O)(=O)NOCC(N)=O	160458021	QHTCCSGAWGRREB-UHFFFAOYSA-N	197.216	-2.153	70	10	AAIE	
CNS(=O)(=O)N[C@@H](C)CC(=N)N	161107312	HSYGURUPDYLNMS-BYPYZUCNSA-N	194.260	-1.245	70	10	AAIE	
[SiH2]=C1NC=CN1	307064551	RWGNWDOSEWVLFJ-UHFFFAOYSA-N	98.181	-1.629	70	10	AAIE	
CNS(=O)(=O)N(C)C[C@H](C)CN	160151869	YKHWNZVZKMEGGF-ZCFIWIBFSA-N	195.288	-1.023	70	10	AAIE	
CN1N=C=C([C@@H](O)[C-]2N=C=NN2C)N1	885668935	PTLLTWMPPJDZGE-ZCFIWIBFSA-N	193.190	-1.210	70	10	AAIE	
[SiH3]P([SiH3])[SiH3]	256080816	UANZKUUHUWJRJL-UHFFFAOYSA-N	124.304	-2.691	70	10	AAIE	
[N-]=[N+]=Cc1cccc([SiH3])n1	306976402	AGOQLFMGZHNLAM-UHFFFAOYSA-N	149.229	-1.279	70	10	AAIE	
OCC1=C=[N+](C[C-]2N=C=NO2)NN1	885388354	YTHJVFWQQVHLMT-UHFFFAOYSA-N	181.155	-1.824	70	10	AAIE	
C/[N+](=C1/N=C=N[C-](N)N1)[C@@H]1CCOC1	885768365	YWPUXIOYIJCHLU-ZCFIWIBFSA-O	195.226	-1.044	70	10	AAIE	
NC(=O)CONC(=O)[C@@H]1C=C[C@@H](N)C1	160359187	DSCCTNVUVMNTSI-PHDIDXHHSA-N	199.210	-1.577	70	10	AAIE	
C[C@H]1CN(C)C(=O)[C@H](CO)N1	218658804	CXWDAMUUYBJWSZ-WDSKDSINSA-N	158.201	-1.203	70	10	AAIE	
CCNS(=O)(=O)NC[C@H](O)CO	160713428	XNBLWOLSGRECJB-YFKPBYRVSA-N	198.244	-2.217	70	10	AAIE	
O=C(CN1C#CNN1)N[C]1N=C=NN1	885206686	WIEZFYGLOLQZCX-UHFFFAOYSA-N	192.162	-2.515	70	10	AAIE	
O[C@@H]1CN(C[C-]2N=C=NO2)C[C@H]1O	885470838	MTFQATNSGGRBQB-PHDIDXHHSA-N	184.175	-1.368	70	10	AAIE	
O=S(=O)(F)NN1CCNCC1	2241914674	HVGNRUOYJUTSAI-UHFFFAOYSA-N	183.208	-1.390	70	10	AAIE	
CN1N=C=N[C]1[C@H](O)C1=C=NNN1	885199302	FZWSHKJBBJCWNV-RXMQYKEDSA-N	179.163	-1.553	70	10	AAIE	
C[N+]1=C=C(CN2N=C=N[C-]2CO)NN1	885668959	RWYXJLLBMLGWGI-UHFFFAOYSA-N	194.198	-1.909	70	10	AAIE	
C[C@@H](O)C1C[N+](=C2N=C=N[C-](N)N2)C1	885767964	CYSDQOCRNYTYLG-RXMQYKEDSA-O	195.226	-1.452	70	10	AAIE	
C[C@H]1CNC(=O)[C@@H](CO)N1C	218659867	ZLBDZTJLXBJWNF-NTSWFWBYSA-N	158.201	-1.203	70	10	AAIE	
C[C@@H]1CNC(=O)[C@@H](CO)N1C	218659795	ZLBDZTJLXBJWNF-PHDIDXHHSA-N	158.201	-1.203	70	10	AAIE	
CCNS(=O)(=O)NC/C=C/CN	160965196	BLWVROSZQUBYIF-ONEGZZNKSA-N	193.272	-1.055	70	10	AAIE	
CCC1(O)C[N+](=C2N=C=N[C-](N)N2)C1	885767858	AWRXSASVTCBXTP-UHFFFAOYSA-O	195.226	-1.308	70	10	AAIE	
N[C-]1N=C=N/C(=N/C[C]2C#CNN2)N1	885205768	QWIUTZKEMUJUIC-UHFFFAOYSA-N	189.182	-1.874	70	10	AAIE	
CN1NNN=C1C[N+]1=C(CO)N=C=N1	885745449	JVUOXRYQRSHLPJ-UHFFFAOYSA-N	196.194	-2.240	70	10	AAIE	
N#C[C@@H]1CNCCN1S(=O)(=O)F	2241915963	ZULMTXGDVMCLPO-RXMQYKEDSA-N	193.203	-1.002	70	10	AAIE	
Nc1ccc(O)c([SiH3])c1[SiH3]	307633178	NPJIHFBMKVGYOF-UHFFFAOYSA-N	169.332	-3.044	70	10	AAIE	
C[C@@H](CO)/[N+](C)=C1/N=C=N[C-](N)N1	885429528	BZRZODGZPIGFMP-YFKPBYRVSA-O	183.215	-1.452	70	10	AAIE	
CN1N=C=N[C]1[C@H](NN)C1=C=NNN1	885210375	CXTPCKYVNBGFPU-RXMQYKEDSA-N	193.194	-2.082	70	10	AAIE	
C#CC(=O)NCCN1N=C=NN1	885275037	SVNGQMHPIDLVNM-UHFFFAOYSA-N	165.156	-1.440	70	10	AAIE	
NC[C@H](O)CNS(=O)(=O)F	2241914510	FLVGDQKSCBYWLO-VKHMYHEASA-N	172.181	-1.890	70	10	AAIE	
C[C@H](N)C1=C=[N+](C[C-]2N=C=NO2)NN1	885668973	UKOZLZQIAQDIKA-YFKPBYRVSA-N	194.198	-1.469	70	10	AAIE	
CCN1CC(=O)N[C@@H](CN)C1	218643123	PKSMPAPVTACKPG-LURJTMIESA-N	157.217	-1.235	70	10	AAIE	
[SiH3]C([SiH3])=CCl	307020958	BSIATDNLXDCQQV-UHFFFAOYSA-N	122.703	-1.245	70	10	AAIE	
O=CNC1CN(S(=O)(=O)F)C1	2241569051	LFNHFXTYMBKOMS-UHFFFAOYSA-N	182.176	-1.369	70	10	AAIE	
C[C@@H](O)C/[N+](C)=C1/N=C=N[C-](N)N1	885429758	ZUOWWHGEJZOENX-RXMQYKEDSA-O	183.215	-1.452	70	10	AAIE	
O=S(=O)(F)Cc1nn[nH]n1	1535628502	WUTYCQIEZJCKOS-UHFFFAOYSA-N	166.137	-1.001	70	10	AAIE	
CNC[C@@H]1C(=O)NCCN1C	218642075	QHCUSFJUWMGNLZ-ZCFIWIBFSA-N	157.217	-1.364	70	10	AAIE	
CN1N=C=N[C-]1CN1CCNCC1=O	885767991	FFNOXZPYQFLZKF-UHFFFAOYSA-N	194.218	-1.058	70	10	AAIE	
O=C(NC[C-]1NC#CN1)C1=NN=C=N1	885206432	RICFXYHFVKLMHS-UHFFFAOYSA-N	189.158	-1.796	70	10	AAIE	
O=S(=O)(F)Cn1cnnn1	1952864350	FTCMXIMIBZDGCL-UHFFFAOYSA-N	166.137	-1.070	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)[C@]1(N)CCOC1	885894671	HFZDHZQPBXAUAF-XPUUQOCRSA-N	197.218	-1.011	70	10	AAIE	
CC(=O)NCC(=O)OCC(N)=O	218177144	YYTPHYQWFMEUFS-UHFFFAOYSA-N	174.156	-1.849	70	10	AAIE	
CN1CCN2C(=O)CNC[C@H]2C1	218768328	SSKSOGAJELPFFO-ZETCQYMHSA-N	169.228	-1.268	70	10	AAIE	
CNS(=O)(=O)NC(C)(C)C(=N)N	161111108	KGLCTWYSIKFFMA-UHFFFAOYSA-N	194.260	-1.245	70	10	AAIE	
CN1CC[C@@H](N(C)C(=O)C(N)=O)C1	218670102	WVNSHZWZKJVTLP-ZCFIWIBFSA-N	185.227	-1.366	70	10	AAIE	
C[C@@H](N)CCC(=O)NOCC(N)=O	160348839	JOKWJBJRXJORTF-RXMQYKEDSA-N	189.215	-1.353	70	10	AAIE	
[SiH3]C#C[SiH3]	195753817	OFIDJMJLBNOBIL-UHFFFAOYSA-N	86.242	-2.364	70	10	AAIE	
C[C@@H](O)[C@@H](O)[SiH3]	238431605	HYZJLZJNOZFIPY-GBXIJSLDSA-N	106.197	-1.949	70	10	AAIE	
CCNC(=O)Cn1c(=O)cc[nH]c1=O	218675866	MWCIRZPKGYBTCS-UHFFFAOYSA-N	197.194	-1.327	70	10	AAIE	
CN1N=C=N[C-]1S(=O)(=O)CCO	885573271	QYTXWSRTULOGCY-UHFFFAOYSA-N	190.204	-1.125	70	10	AAIE	
N[S@@](=O)CCS(=O)(=O)F	675071404	LBYLSCZZCQHEGA-QMMMGPOBSA-N	175.206	-1.092	70	10	AAIE	
CNS(=O)(=O)N(C)[C@H](C)C(=N)N	161133225	IWDATRDZADJMNY-SCSAIBSYSA-N	194.260	-1.293	70	10	AAIE	
CN(CC(F)F)C[C@@H](N)C(N)=O	159391363	CGYTXULUNKFFOJ-SCSAIBSYSA-N	181.186	-1.004	70	10	AAIE	
CC(C)NCC(=O)NOCC(N)=O	160354611	GVHRGKIDQSUERM-UHFFFAOYSA-N	189.215	-1.483	70	10	AAIE	
CN1N=C=N[C-]1CN1C[C@@H](O)[C@H](O)C1	885894722	KTQHVFTYVNQYRJ-RNFRBKRXSA-N	197.218	-1.452	70	10	AAIE	
C[C@H](O)[C@H](O)[SiH3]	238421341	HYZJLZJNOZFIPY-STHAYSLISA-N	106.197	-1.949	70	10	AAIE	
CNC1(C(=O)N[C]2N=C=NN2)CC1	885200102	VZZQNQIRLLBQLZ-UHFFFAOYSA-N	180.191	-1.006	70	10	AAIE	
O=S(=O)(F)N1CCNC[C@@H](O)C1	2241915152	NVHXDNMYHCQAFG-RXMQYKEDSA-N	198.219	-1.533	70	10	AAIE	
CN1C[C@@H](CN)N(C)CC1=O	218643033	GMYJXJHKLIJZNK-ZCFIWIBFSA-N	157.217	-1.283	70	10	AAIE	
COCO[C@H](CO)[C@@H](O)CO	218762199	MVRPDXYQDJREJM-NTSWFWBYSA-N	166.173	-1.679	70	10	AAIE	
O=S(=O)(F)NC[C@@H]1CNC[C@H]1O	2241919849	BDQNIZNDEVFZGH-CRCLSJGQSA-N	198.219	-1.629	70	10	AAIE	
CC[C@@](C)(N)C(=O)NOCC(N)=O	160350553	MCPUKVFSQYTVPD-SSDOTTSWSA-N	189.215	-1.353	70	10	AAIE	
CCOC(=O)[C@@H](C)NOCC(N)=O	160946477	OUCWKZWCARKBOH-RXMQYKEDSA-N	190.199	-1.056	70	10	AAIE	
CONCCNS(=O)(=O)F	2241920594	LOKMUDAFMZQHOF-UHFFFAOYSA-N	172.181	-1.059	70	10	AAIE	
O=C(N[C]1N=C=NN1)[C@H]1COCCN1	885217061	RXPLHYNCBQRWAL-RXMQYKEDSA-N	196.190	-1.770	70	10	AAIE	
NC1=C=NN/C1=C(\O)N=C1N=C=NN1	885206565	RRWVRDHAJDSNDA-PLNGDYQASA-N	191.154	-1.208	70	10	AAIE	
NC1=NCCN1CP(=O)(O)O	218047440	IZQXMKUAAOQMGW-UHFFFAOYSA-N	179.116	-1.248	70	10	AAIE	
O[Cl+3](O)(O)OF	256056015	GCKVAJGBBGHQMW-UHFFFAOYSA-N	121.471	-1.319	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CCC[C@@H]2CO)N1	885767930	YGIYIFWQGMFCLF-ZCFIWIBFSA-O	195.226	-1.308	70	10	AAIE	
O=S(=O)(F)NCCOC1CNC1	1887412244	BLHXGHQIUWIVJD-UHFFFAOYSA-N	198.219	-1.221	70	10	AAIE	
NCCONS(=O)(=O)F	2241920507	KQGIBERZUBNEJC-UHFFFAOYSA-N	158.154	-1.319	70	10	AAIE	
NC[C@H]1C[C@H](O)CN1S(=O)(=O)F	2241920456	KCITXSCXUACNRL-UHNVWZDZSA-N	198.219	-1.405	70	10	AAIE	
O=C1NC[C@@H]([C@@H]2CNC(=O)N2)N1	216915898	FPUGYFYIMCODQR-IMJSIDKUSA-N	170.172	-1.651	70	10	AAIE	
CNS(=O)(=O)NCCCC(=N)N	161124114	OWBQEBQMTRRSAT-UHFFFAOYSA-N	194.260	-1.244	70	10	AAIE	
CCC(CO)(CO)NC(=O)[C@@H](C)N	218668766	AHZHOVRLPHGMHO-ZCFIWIBFSA-N	190.243	-1.417	70	10	AAIE	
CC(C)[C@@H](N)C(=O)NOCC(N)=O	160349349	SJBIHKCNTWUVNM-ZCFIWIBFSA-N	189.215	-1.497	70	10	AAIE	
CN1N=C=N[C-]1CNC(=O)[C@H]1CCN1	725469581	OTMVEVAXWGUNPN-ZCFIWIBFSA-N	194.218	-1.012	70	10	AAIE	
CN1NN=C=C1[C@H](O)[C-]1N=C=NN1C	885668911	MLPXMWCRQSNRNB-LURJTMIESA-N	193.190	-1.210	70	10	AAIE	
O=S(=O)(F)NC1CNCCNC1	2242018886	HBELZCAEFUXYMI-UHFFFAOYSA-N	197.235	-1.648	70	10	AAIE	
C[C@@H](N)C(=O)NC[C-]1N=C=NN1C	885429592	RIKRPQYSRAICLL-RXMQYKEDSA-N	182.207	-1.026	70	10	AAIE	
C[C@H](O)C/[N+](C)=C1/N=C=N[C-](N)N1	885429759	ZUOWWHGEJZOENX-YFKPBYRVSA-O	183.215	-1.452	70	10	AAIE	
CNS(=O)(=O)NC[C@H]1CCNC1	160929809	KDAVHALUWDAHGX-LURJTMIESA-N	193.272	-1.350	70	10	AAIE	
C[C@@H](O)[C@@H](N)CNS(=O)(=O)F	2241921238	UEXRGALTQLJRFH-DMTCNVIQSA-N	186.208	-1.502	70	10	AAIE	
NC(=O)CONCC(=O)NC1CC1	160333525	FKUPTWXEVZLHTL-UHFFFAOYSA-N	187.199	-1.729	70	10	AAIE	
NC(=O)CONC(=O)CNC1CC1	159604890	PRCGQCUZCIEBIW-UHFFFAOYSA-N	187.199	-1.729	70	10	AAIE	
CC(C)S(=O)(=O)NOCC(N)=O	160321471	CGRGHZKTKUEZCR-UHFFFAOYSA-N	196.228	-1.269	70	10	AAIE	
CN(CC(N)=O)C1=N[C-](N)N=C=N1	642872823	QVVMHPFTCWAAKG-UHFFFAOYSA-N	181.179	-1.647	70	10	AAIE	
[SiH3]c1cccc([SiH3])n1	307028376	BOOGZBHISZGNAC-UHFFFAOYSA-N	139.306	-2.937	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CC[C@@H](CO)C2)N1	885767754	QHXISEDGBPQQEW-ZCFIWIBFSA-O	195.226	-1.450	70	10	AAIE	
CN1C#CN[C-]1CN1N=C=N[C-]1CO	885614928	SEQLZILVWNBKDC-UHFFFAOYSA-N	191.194	-1.184	70	10	AAIE	
N[C@@]1(CNS(=O)(=O)F)CCOC1	2241914555	GDJSUWONOAAQJD-RXMQYKEDSA-N	198.219	-1.092	70	10	AAIE	
CNS(=O)(=O)NC[C@H](N)[C@H](C)O	160887144	ZZNDIQQWJBTEEL-WHFBIAKZSA-N	197.260	-2.252	70	10	AAIE	
C[C@@H](ON)C(=O)N[C-]1N=C=NN1C	885470852	RILCYGHYULLGLN-SCSAIBSYSA-N	184.179	-1.137	70	10	AAIE	
CO[C@H](CN)CNS(=O)(=O)F	1888846707	ZUPQYTYTPVUEJO-SCSAIBSYSA-N	186.208	-1.236	70	10	AAIE	
CO[C@@H](C)C(=O)NC[C@@H](O)CO	160963642	MNTCYWCVKMQLJH-NTSWFWBYSA-N	177.200	-1.509	70	10	AAIE	
CNS(=O)(=O)NCCC(=N)N	161113155	FLGKRYBYMRHKDQ-UHFFFAOYSA-N	180.233	-1.634	70	10	AAIE	
NC(=O)C1(NS(=O)(=O)F)CNC1	2241915535	TWMGDZGWMXJJIL-UHFFFAOYSA-N	197.191	-2.382	70	10	AAIE	
NCCNC1=C2N[C]=N[C-]2N=C=N1	885198369	CCRFYMVDVJVXGV-UHFFFAOYSA-N	176.183	-1.111	70	10	AAIE	
OCCC#C[SiH3]	238634856	RCKPVOBMUADUDM-UHFFFAOYSA-N	100.193	-1.305	70	10	AAIE	
NC(=O)CONC(=O)C1(N)CCC1	160356121	LJAZXALOIXNGCO-UHFFFAOYSA-N	187.199	-1.599	70	10	AAIE	
CCS(=O)(=O)[C@@H](N)CO	217454965	GJROQGBPJWZBED-SCSAIBSYSA-N	153.203	-1.302	70	10	AAIE	
CN1N=N[C](C(=O)NC2=NN=C=N2)N1	885208893	ADMQZMWXZMKJNX-UHFFFAOYSA-N	193.150	-1.132	70	10	AAIE	
CN1CC(=O)N(C)[C@H](CN)C1	218643525	BNKLJAFBFCWXFQ-ZCFIWIBFSA-N	157.217	-1.283	70	10	AAIE	
NCCNC[C@H]1CCS(=O)(=O)C1	161178685	STUONPSLVOXBQJ-SSDOTTSWSA-N	192.284	-1.031	70	10	AAIE	
NC(=O)CONCc1cncnc1	160287717	YREJHOAIQKEZCL-UHFFFAOYSA-N	182.183	-1.017	70	10	AAIE	
Cn1cc(OC[C@@H](N)C(N)=O)cn1	161251897	HOTSJEDHDSQPEY-ZCFIWIBFSA-N	184.199	-1.389	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CCC[C@H](O)C2)N1	885767601	IMUBHTVGSVWWHH-LURJTMIESA-O	195.226	-1.308	70	10	AAIE	
C[C@@H]1C/[N+](=C2/N=C=N[C-](N)N2)CCO1	885768249	RRCHOIWTBFMAIA-ZCFIWIBFSA-O	195.226	-1.044	70	10	AAIE	
CCO[Cl+3](O)(O)O	39238798	KCVRXMAVQRWWRL-UHFFFAOYSA-N	131.535	-1.184	70	10	AAIE	
COC([SiH3])(OC)OC	575408796	TUQLLQQWSNWKCF-UHFFFAOYSA-N	136.223	-1.098	70	10	AAIE	
CCN(C)C(=O)CNOCC(N)=O	160330301	NWFOXGSVEROUGU-UHFFFAOYSA-N	189.215	-1.529	70	10	AAIE	
CN1NN=C=C1CN[C-]1N=C=NN1C	885615313	GLDOQQAGMVACGT-UHFFFAOYSA-N	192.206	-1.024	70	10	AAIE	
CN1N=C=N[C]1NC(=O)C1=C=NNN1	885206483	ODEXBHKODDXYCW-UHFFFAOYSA-N	192.162	-1.840	70	10	AAIE	
O=C1C[C@H]([C-]2N=C=NO2)NN1	885247136	NJAGLSUHEXFILC-GSVOUGTGSA-N	153.121	-1.012	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)[C@H]1CNCCO1	885894835	VUCIBZTVLICEMU-RQJHMYQMSA-N	197.218	-1.141	70	10	AAIE	
CNS(=O)(=O)NC[C@H](C)C(=N)N	161125367	GRQHTRFVYZYKMC-BYPYZUCNSA-N	194.260	-1.388	70	10	AAIE	
C[C@@H](O)[C@H](N)CNS(=O)(=O)F	2241921241	UEXRGALTQLJRFH-QWWZWVQMSA-N	186.208	-1.502	70	10	AAIE	
COCCN(CCN)CC(N)=O	160765625	YOMQRIPCLQVWSK-UHFFFAOYSA-N	175.232	-1.621	70	10	AAIE	
[SiH3][C@@H](Cl)[SiH2][C@@H]([SiH3])Cl	307324710	FFNWGZPIIHRKDA-JCYAYHJZSA-N	189.266	-2.069	70	10	AAIE	
CCCB(O)On1cnnn1	238217089	KGNTVPQFSFKMSF-UHFFFAOYSA-N	155.954	-1.008	70	10	AAIE	
NC(=O)CONC(=O)CC1CNC1	159603963	OTCURBCGLAOCSM-UHFFFAOYSA-N	187.199	-1.871	70	10	AAIE	
NC[C@@H]1CN(S(=O)(=O)F)CCO1	2241915525	TUHXMIJCWNHJQU-RXMQYKEDSA-N	198.219	-1.140	70	10	AAIE	
O=S(=O)(F)N1CCNC[C@@H]1CO	2241914950	LMPINOFPMJTTNV-RXMQYKEDSA-N	198.219	-1.533	70	10	AAIE	
COCCNC(=O)CNC1CNC1	161199551	IGXMVUFTESOUFC-UHFFFAOYSA-N	187.243	-1.690	70	10	AAIE	
O=S(=O)(F)N[C@@H]1CNCC[C@@H]1O	2241920957	QBOKCFBFMGAEKW-UHNVWZDZSA-N	198.219	-1.487	70	10	AAIE	
O=S(=O)(F)N[C@H]1CCNC[C@@H]1O	2241921049	RGOFWJMWFLRDFO-WHFBIAKZSA-N	198.219	-1.487	70	10	AAIE	
CN1N=C=N[C-]1CN[C@H]1CNC(=O)C1	885767690	OCXINVFFVKIZCR-ZCFIWIBFSA-N	194.218	-1.012	70	10	AAIE	
NCCN(CCO)S(=O)(=O)F	2241915023	MGJHTDRXJDQPEJ-UHFFFAOYSA-N	186.208	-1.546	70	10	AAIE	
CC(C)NC(=O)[C@H](O)CN	218573802	QVLPXERNCXSAQC-RXMQYKEDSA-N	146.190	-1.169	70	10	AAIE	
CN1CCN(C)[C@@H](CO)C1=O	218659060	UJEPSPZCUKEBEU-LURJTMIESA-N	158.201	-1.249	70	10	AAIE	
C[C@H](CO)/[N+](C)=C1/N=C=N[C-](N)N1	885429527	BZRZODGZPIGFMP-RXMQYKEDSA-O	183.215	-1.452	70	10	AAIE	
NC(=O)C1CN(C2=N[C-](N)N=C=N2)C1	885668851	GNLWDSGLHRTWMA-UHFFFAOYSA-N	193.190	-1.647	70	10	AAIE	
NC(=O)Cn1c(=O)cc[nH]c1=O	218679411	NCMRXDZRXPAZFW-UHFFFAOYSA-N	169.140	-1.978	70	10	AAIE	
[SiH3]O[C@@H]1CNCCO1	227735956	IFNWSDRGVKBTSQ-SCSAIBSYSA-N	133.223	-1.771	70	10	AAIE	
CN1N=C=C([C@H](N)[C-]2N=C=NN2C)N1	885615400	NVNRUFKRUZJXLE-LURJTMIESA-N	192.206	-1.244	70	10	AAIE	
C#CC/[N+](C)=C1/N=C=N[C-](N)N1	642872887	WAAFRAMENGUTFV-UHFFFAOYSA-O	163.184	-1.199	70	10	AAIE	
CN1N=C=N[C]1[C@@H](N)C1=C=NNN1	885198267	LNJZKIGVOCSWIC-YFKPBYRVSA-N	178.179	-1.586	70	10	AAIE	
N[C-]1N=C=NC(N2CCNC(=O)C2)=N1	885669010	XFKZSXXHSFLLRE-UHFFFAOYSA-N	193.190	-1.633	70	10	AAIE	
N[C@H](CO[SiH3])C(=O)O	238581832	FCQOPQJAEUTZRF-UWTATZPHSA-N	135.195	-2.305	70	10	AAIE	
NCCCN(CCCN)[N+](=O)NO	217490573	XXWLADAZKFVMSP-UHFFFAOYSA-N	192.243	-1.426	70	10	AAIE	
Sc1nnnn1CCN1N=C=NN1	885892268	XANVZZPOHLWIKF-UHFFFAOYSA-N	198.215	-1.214	70	10	AAIE	
CC(=O)N[C@H](C)C(=O)OCC(N)=O	218177573	YGNCZCFUYPDXGT-SCSAIBSYSA-N	188.183	-1.461	70	10	AAIE	
CCOC(=O)CNCCNC(N)=O	160974735	NKHCPLWURVXBTF-UHFFFAOYSA-N	189.215	-1.193	70	10	AAIE	
CCNC(=O)CC1(O)CNC1	218653057	DVKJTFZPUSZVOF-UHFFFAOYSA-N	158.201	-1.153	70	10	AAIE	
O=C(O)CO[Cl+3](O)(O)O	60003366	QZIQIPBHBSRNGQ-UHFFFAOYSA-N	161.517	-2.119	70	10	AAIE	
CCOC(=O)[C@@H](N)C(=O)NCCO	160048807	DKZNSUSTMPWGDM-YFKPBYRVSA-N	190.199	-2.015	70	10	AAIE	
CN1N=C=N[C-]1CN[C@@H]1CNC(=O)C1	885767687	OCXINVFFVKIZCR-LURJTMIESA-N	194.218	-1.012	70	10	AAIE	
O=S(=O)(F)NC[C@H]1CNCCO1	2241915248	PELAQSBPUNDCLU-RXMQYKEDSA-N	198.219	-1.221	70	10	AAIE	
CN1C#CN[C-]1[C@@H](N)[C-]1N=C=NN1C	885594267	GSCDBQPXENSLFN-ZCFIWIBFSA-N	190.210	-1.220	70	10	AAIE	
CN1N=C(C[N+]2=C(CO)N=C=N2)NN1	885745443	IXNOJQSSPJHRQH-UHFFFAOYSA-N	196.194	-2.240	70	10	AAIE	
NC(=O)CONCc1cnccn1	160315471	PTQUNMRGEBNELP-UHFFFAOYSA-N	182.183	-1.017	70	10	AAIE	
O=S(=O)(F)NCCC1(O)CNC1	2241920012	DAMQSIRKQVHLQB-UHFFFAOYSA-N	198.219	-1.485	70	10	AAIE	
[SiH3][SiH]([SiH3])[SiH3]	725441281	KLXUSFHSWONPAC-UHFFFAOYSA-N	122.424	-4.200	70	10	AAIE	
CCOC[C@@H](O)CNOCC(N)=O	160345424	AFWFJFNIQFXUKS-LURJTMIESA-N	192.215	-1.610	70	10	AAIE	
CN(C)C1C[N+](=C2N=C=N[C-](N)N2)C1	885688689	UBPYXSXNHGESMR-UHFFFAOYSA-O	194.242	-1.519	70	10	AAIE	
C[C@H](CCN)C(=O)NOCC(N)=O	160359652	XINSRQCPLBBQKJ-RXMQYKEDSA-N	189.215	-1.496	70	10	AAIE	
NC(=O)CONC(=O)OCCO	160363751	AMRSWBXRTFIQGP-UHFFFAOYSA-N	178.144	-1.878	70	10	AAIE	
CN(C)C[C@H](O)CNOCC(N)=O	160333275	SUJOMTDQDWFURX-ZCFIWIBFSA-N	191.231	-2.085	70	10	AAIE	
Cn1cncc1CNOCC(N)=O	160288688	LHGAEYHUNPYBFG-UHFFFAOYSA-N	184.199	-1.073	70	10	AAIE	
O/C=C1/O[C@H](CO)[C@H](O)[C@H]1O	218578871	FZRJRIPXNVGOHZ-UKWBRNESSA-N	162.141	-1.501	70	10	AAIE	
NC[C@@H]1COC[C@@H]1NS(=O)(=O)F	2241919720	ZHPTUJIEEJUCOF-UHNVWZDZSA-N	198.219	-1.236	70	10	AAIE	
COC1(C)C[N+](=C2N=C=N[C-](N)N2)C1	885767989	FBGLNGYRFZLFJM-UHFFFAOYSA-O	195.226	-1.044	70	10	AAIE	
CN1N=C=N[C-]1C[N+]1=C=C(CO)NN1	885668981	UTVQYELREIXMNF-UHFFFAOYSA-N	194.198	-1.909	70	10	AAIE	
NC(=O)CONC[C@@H]1CCOCO1	160324322	RULSCWJTYUHPNY-LURJTMIESA-N	190.199	-1.244	70	10	AAIE	
NS(=O)(=O)CS(=O)(=O)Cl	958684961	AFCQVTIPATYRFM-UHFFFAOYSA-N	193.633	-1.199	70	10	AAIE	
CNS(=O)(=O)NC[C@H](O)CO	160713140	LRZQQBXZUSTWNA-BYPYZUCNSA-N	184.217	-2.607	70	10	AAIE	
N[S@](=O)CCS(=O)(=O)F	675071403	LBYLSCZZCQHEGA-MRVPVSSYSA-N	175.206	-1.092	70	10	AAIE	
NC(=O)CON[C@H]1CC(=O)NC1=O	160344329	SNBJDDYARICDBJ-VKHMYHEASA-N	187.155	-2.592	70	10	AAIE	
CCOC1C[N+](=C2N=C=N[C-](N)N2)C1	885768247	ROSOARPLRJIXKH-UHFFFAOYSA-O	195.226	-1.044	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)[C@@]1(N)CCOC1	885894668	HFZDHZQPBXAUAF-HTRCEHHLSA-N	197.218	-1.011	70	10	AAIE	
CN1N=C([C@@H](N)[C-]2C#CN=C=N2)NN1	885573148	NKTKYNGJWWFWHO-LURJTMIESA-N	190.190	-1.738	70	10	AAIE	
[SiH3][Si]([SiH3])([SiH3])[SiH3]	606521094	XFPJTCMBFSZPEX-UHFFFAOYSA-N	152.526	-5.116	70	10	AAIE	
CN1CCNC(=O)[C@@H]1CCO	218659462	KYYQQHCPSHUHBS-LURJTMIESA-N	158.201	-1.201	70	10	AAIE	
CC[C@@H](CCO)NC1=NC(=O)C(=O)N1	217992462	IUZDPUUXHPQXLG-YFKPBYRVSA-N	199.210	-1.251	70	10	AAIE	
[SiH3]c1cncnc1	307111275	NJTLXLZAVUEAEI-UHFFFAOYSA-N	110.192	-1.533	70	10	AAIE	
CCC[C@@H](O)CNC1=NC(=O)C(=O)N1	218000097	ALEKUAUCSMMKIH-RXMQYKEDSA-N	199.210	-1.251	70	10	AAIE	
C[C@@H]1CN(C)C(=O)[C@H](CO)N1	218658721	CXWDAMUUYBJWSZ-RITPCOANSA-N	158.201	-1.203	70	10	AAIE	
CN1CCCNC(=O)[C@@H]1CO	218660337	IECQUWOCRJHUKO-LURJTMIESA-N	158.201	-1.201	70	10	AAIE	
O=C(O)C1(NS(=O)(=O)F)CNC1	2241915403	RKDBGZLRLGEXNO-UHFFFAOYSA-N	198.175	-1.783	70	10	AAIE	
NC(=O)[C@@H]1NC=P[C@@H]1N	104598856	ZZFZWXARFQYQIK-OKKQSCSOSA-N	145.102	-1.566	70	10	AAIE	
C[C@@H](O)C(=O)[SiH](C)O	238419667	GDOQNVOSZLZCMX-ZIBWXETASA-N	134.207	-1.179	70	10	AAIE	
CN1N=C=N[C]1[C@@H](NN)C1=C=NNN1	885210376	CXTPCKYVNBGFPU-YFKPBYRVSA-N	193.194	-2.082	70	10	AAIE	
CN1N=C([C@@H](O)C2=[N+](C)N=C=N2)NN1	885745559	ZVECSHXZEGEAMS-SCSAIBSYSA-N	196.194	-2.241	70	10	AAIE	
C[C@H]1C/[N+](=C2/N=C=N[C-](N)N2)CCO1	885768248	RRCHOIWTBFMAIA-LURJTMIESA-O	195.226	-1.044	70	10	AAIE	
CN1N=C=N[C-]1CN[C@@H]1COC[C@H]1O	885894841	WQQGFDOYGKXJLA-RNFRBKRXSA-N	197.218	-1.141	70	10	AAIE	
NC[C@@H]1COCCN1S(=O)(=O)F	2241914410	DHOASWKPAMCBHG-RXMQYKEDSA-N	198.219	-1.140	70	10	AAIE	
CN1N=C=N[C]1C[C@@H](O)C1=C=NNN1	885210372	CLIKTGMWQYMSFN-ZCFIWIBFSA-N	193.190	-1.162	70	10	AAIE	
NC1=C=C(C(=O)N[C-]2N=C=NN2)N=N1	885206573	RUFZXLSXXHQDGX-UHFFFAOYSA-N	190.146	-1.010	70	10	AAIE	
COC(OC)[C@H](N)[SiH3]	227674643	OTRQDARSSYGDIY-GSVOUGTGSA-N	135.239	-1.745	70	10	AAIE	
C#C[C@@H](CO)/N=C1/N=C=N[C-](N)N1	885367311	NJWBFNMGKAWJQQ-YFKPBYRVSA-N	178.175	-1.481	70	10	AAIE	
N[C-]1N=C=N/C(=N/[C@@H]2CNC(=O)C2)N1	885668902	LMSBNEINVFHDNL-BYPYZUCNSA-N	193.190	-1.586	70	10	AAIE	
N[C-]1N=C=NC(=[N+]2CCC(O)CC2)N1	885767708	OHKBSUMSMVJULG-UHFFFAOYSA-O	195.226	-1.308	70	10	AAIE	
N#C[C@H]1CNCCN1S(=O)(=O)F	2241915964	ZULMTXGDVMCLPO-YFKPBYRVSA-N	193.203	-1.002	70	10	AAIE	
CCONC(=O)[C@H](N)C(=O)OCC	160110785	GESOICDSABGHRR-YFKPBYRVSA-N	190.199	-1.056	70	10	AAIE	
CN1CC[N+](=C2N=C=N[C-](N)N2)CC1	885688650	KIUSYOKAINNPQB-UHFFFAOYSA-O	194.242	-1.517	70	10	AAIE	
CN1N=C=N[C-]1CN1C#CN[C-]1CO	885614983	ZXWSKJXOPYEAKT-UHFFFAOYSA-N	191.194	-1.184	70	10	AAIE	
CCOC[C@H](O)CNOCC(N)=O	160345273	AFWFJFNIQFXUKS-ZCFIWIBFSA-N	192.215	-1.610	70	10	AAIE	
CN[C@H]([C]1N=C=NN1C)C1=C=NNN1	885208571	WCPCWODZOXVMGF-LURJTMIESA-N	192.206	-1.325	70	10	AAIE	
C[C@@H]1CNC(=O)[C@@H](CN)N1C	218642412	TUCRKIGFAKXQRP-PHDIDXHHSA-N	157.217	-1.236	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CCCOCC2)N1	885767607	JVAIRHAORAMYRW-UHFFFAOYSA-O	195.226	-1.042	70	10	AAIE	
N[C@@H]1CCN(CCN2N=C=NN2)C1	642845567	GJWGEXPPCAXYNW-SSDOTTSWSA-N	182.231	-1.157	70	10	AAIE	
CCOC(=O)[C@H](N)C(=O)NOC	160110340	IGYOTVCCUXMOFI-SCSAIBSYSA-N	176.172	-1.446	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)C1=C=[N+](C)NN1	885669002	WNQIISFTIUMSJI-ZCFIWIBFSA-N	194.198	-1.910	70	10	AAIE	
CNS(=O)(=O)N(C)[C@@H](C)C(=N)N	161133116	IWDATRDZADJMNY-BYPYZUCNSA-N	194.260	-1.293	70	10	AAIE	
CN[C@@H]([C]1N=C=NN1C)C1=C=NNN1	885208572	WCPCWODZOXVMGF-ZCFIWIBFSA-N	192.206	-1.325	70	10	AAIE	
COCCNS(=O)(=O)NCCN	161163896	VJTNJFLEQJEPBO-UHFFFAOYSA-N	197.260	-1.985	70	10	AAIE	
NC[C@@H]1CN(C2CC2)CC(=O)N1	218767170	WBJHOWBGUAHQDA-ZCFIWIBFSA-N	169.228	-1.092	70	10	AAIE	
CC[C@H](CCO)NC1=NC(=O)C(=O)N1	217992531	IUZDPUUXHPQXLG-RXMQYKEDSA-N	199.210	-1.251	70	10	AAIE	
O=C1NCCN1[SiH3]	227750386	KALKGCGSTZIGFZ-UHFFFAOYSA-N	116.196	-1.708	70	10	AAIE	
NC1=C=NN/C1=C(/O)N=C1N=C=NN1	885206570	RRWVRDHAJDSNDA-SNAWJCMRSA-N	191.154	-1.208	70	10	AAIE	
CC(C)NS(=O)(=O)NCC(=N)N	161116449	ZGFWZIHQKXGNPS-UHFFFAOYSA-N	194.260	-1.245	70	10	AAIE	
COCNC(=O)N(CCO)CCO	217310223	PGTARILJRBSPEN-UHFFFAOYSA-N	192.215	-1.414	70	10	AAIE	
CN1CCCN[C@H](CO)C1=O	218660141	AJOVAWKZKUMSHA-ZCFIWIBFSA-N	158.201	-1.201	70	10	AAIE	
N[C@@H](CO[SiH3])C(=O)O	238601718	FCQOPQJAEUTZRF-REOHCLBHSA-N	135.195	-2.305	70	10	AAIE	
CNS(=O)(=O)NC[C@@H](N)[C@@H](C)O	160887016	ZZNDIQQWJBTEEL-RFZPGFLSSA-N	197.260	-2.252	70	10	AAIE	
NC[C@H]1C(=O)NCCN1C1CC1	218766959	FROAEMJHFCOMMD-ZETCQYMHSA-N	169.228	-1.092	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CCC[C@@H](O)C2)N1	885767602	IMUBHTVGSVWWHH-ZCFIWIBFSA-O	195.226	-1.308	70	10	AAIE	
CN1N=C([C@@H](O)[C-]2C#CN=C=N2)NN1	885590779	UUVDMEUGNJCZHM-LURJTMIESA-N	191.174	-1.704	70	10	AAIE	
CN1NN=C=C1[C@@H](O)[C-]1N=C=NN1C	885668912	MLPXMWCRQSNRNB-ZCFIWIBFSA-N	193.190	-1.210	70	10	AAIE	
CN1N=C=N[C]1[C@H](N)C1=C=NNN1	885198265	LNJZKIGVOCSWIC-RXMQYKEDSA-N	178.179	-1.586	70	10	AAIE	
C[C@H](CO)CNC(C)(CO)CO	160962957	WOVLHKCPKLIIJP-ZETCQYMHSA-N	177.244	-1.052	70	10	AAIE	
CN1N=C=N[C-]1CN1NN=C=C1N	885367477	ZOPMRSUHQZKDLB-UHFFFAOYSA-N	178.179	-1.285	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)[C@@H]1COCCN1	885894781	QKQHNXAOKHBRLF-NKWVEPMBSA-N	197.218	-1.141	70	10	AAIE	
O=S(=O)(F)N[C@@H]1CNCCOC1	2241914318	CBTJLHMMPVYUHJ-RXMQYKEDSA-N	198.219	-1.221	70	10	AAIE	
Cn1ccc(CNOCC(N)=O)n1	160328614	UHZOULPLSVOPFD-UHFFFAOYSA-N	184.199	-1.073	70	10	AAIE	
[SiH3]N1CCN([SiH3])CC1	306881685	MIUIMZIKLWKICY-UHFFFAOYSA-N	146.342	-2.835	70	10	AAIE	
CO[C@H]1CC/[N+](=C2/N=C=N[C-](N)N2)C1	885767842	AGMPXRHHOUEITK-LURJTMIESA-O	195.226	-1.044	70	10	AAIE	
CCSC[C@H](O)[C@@H](O)[C@H](O)CO	217403238	GJCXGDMHAPQQBZ-VQVTYTSYSA-N	196.268	-1.186	70	10	AAIE	
NCc1nc(NS(=O)(=O)F)n[nH]1	2241921665	ZPGWANBGKCQHPU-UHFFFAOYSA-N	195.179	-1.110	70	10	AAIE	
CN1C[C@H](CN)N(C)CC1=O	218642963	GMYJXJHKLIJZNK-LURJTMIESA-N	157.217	-1.283	70	10	AAIE	
COC(=O)CCCNOCC(N)=O	160326490	CHECSJIPDUHKIG-UHFFFAOYSA-N	190.199	-1.054	70	10	AAIE	
CN1CCO[C@@H](CN)C1=O	218567112	HGTHPPFLNSPVQA-YFKPBYRVSA-N	144.174	-1.198	70	10	AAIE	
CCN1N=C=N[C]1[C@H](N)C1=C=NNN1	885208566	UNPZALODACSMQW-ZCFIWIBFSA-N	192.206	-1.196	70	10	AAIE	
COC(=O)[C@H](C)CNOCC(N)=O	160330999	AZAAKXRJEWQACZ-RXMQYKEDSA-N	190.199	-1.198	70	10	AAIE	
O=C(CC1(O)CNC1)NC1CC1	218777676	DPCTVALOUFDWEO-UHFFFAOYSA-N	170.212	-1.011	70	10	AAIE	
NCCNC(=O)NCCO	218606696	FFAPUOGZYXJCKV-UHFFFAOYSA-N	147.178	-1.763	70	10	AAIE	
CN1N=C=N[C-]1[C@@H](O)[C@@H]1COCCN1	885894780	QKQHNXAOKHBRLF-BQBZGAKWSA-N	197.218	-1.141	70	10	AAIE	
[SiH3]C[SiH2]C[SiH3]	195756023	KSBGKOHSBWCTOP-UHFFFAOYSA-N	120.376	-2.362	70	10	AAIE	
N[C@H]1CC(=O)N(CCN2N=C=NN2)C1	885802991	BBLBDHGRAIDRNM-LURJTMIESA-N	196.214	-1.630	70	10	AAIE	
CN(C[C-]1N=C=NN1C)C(=O)CN	885429538	FMJLBJYMXAUXAJ-UHFFFAOYSA-N	182.207	-1.073	70	10	AAIE	
COC(=O)[C@@H](N)CS(=O)(=O)F	2208969765	IGGIJJLZEJYPPZ-VKHMYHEASA-N	185.176	-1.214	70	10	AAIE	
[B]C([B])([B])[B]	202179173	MAILHGBSRLHXRL-UHFFFAOYSA-N	55.259	-1.308	70	10	AAIE	
OC[C@H](O[C@@H](O)[C@@H](O)CO)C(O)O	217658293	SXOUIFOKVAJROZ-RVJQKOHUSA-N	198.171	-3.654	70	10	AAIE	
O=S(=O)(F)N[C@H]1CNCC[C@@H]1O	2241920958	QBOKCFBFMGAEKW-WHFBIAKZSA-N	198.219	-1.487	70	10	AAIE	
CN1C[C@@H](CN)NC1=O	218538038	IGPFYVSVUOETTB-SCSAIBSYSA-N	129.163	-1.031	70	10	AAIE	
NC(=O)[C@H]1NC=P[C@@H]1N	104598863	ZZFZWXARFQYQIK-FONMRSAGSA-N	145.102	-1.566	70	10	AAIE	
CN(C)C[C@@H](O)CNOCC(N)=O	160333375	SUJOMTDQDWFURX-LURJTMIESA-N	191.231	-2.085	70	10	AAIE	
CNCCNS(=O)(=O)NC1CC1	160843051	LUAZKNRBIQVHHI-UHFFFAOYSA-N	193.272	-1.208	70	10	AAIE	
O=C1CC[C@@H](C(=O)N[C]2N=C=NN2)N1	885212892	VWHIUXUDNJIXCO-BYPYZUCNSA-N	194.174	-1.480	70	10	AAIE	
NC[C@@H](O)CNS(=O)(=O)F	2241914509	FLVGDQKSCBYWLO-GSVOUGTGSA-N	172.181	-1.890	70	10	AAIE	
Cn1cc(CNOCC(N)=O)nn1	160308933	GDLQXVFKRGEOMA-UHFFFAOYSA-N	185.187	-1.678	70	10	AAIE	
Cn1cc(OCC(=O)NCCN)cn1	161267179	NQYDPGIJLGQBNE-UHFFFAOYSA-N	198.226	-1.126	70	10	AAIE	
C[C@H](O)C1=C=[N+](C[C-]2N=C=NO2)NN1	885743342	YSTNUQHRBIILNT-YFKPBYRVSA-N	195.182	-1.435	70	10	AAIE	
NC(=O)[C@@H](N)CN1CC[C@H](CO)C1	159390773	JPXZNYYAFUSLKJ-BQBZGAKWSA-N	187.243	-1.887	70	10	AAIE	
O=C(O)[C@H]1C[C@H]1C(=O)N[C]1N=C=NN1	885215187	SACLBSLLCYHFBQ-DMTCNVIQSA-N	195.158	-1.038	70	10	AAIE	
CCNS(=O)(=O)NCC(N)=S	160547188	WBPZUTJAMZTVBW-UHFFFAOYSA-N	197.285	-1.284	70	10	AAIE	
NC(=O)NCCn1ccnn1	159612342	LLUGWDCTEGXDSS-UHFFFAOYSA-N	155.161	-1.054	70	10	AAIE	
COC(=O)[C@H](N)CS(=O)(=O)F	2208969764	IGGIJJLZEJYPPZ-GSVOUGTGSA-N	185.176	-1.214	70	10	AAIE	
C#CC[C@@H](N)C(=O)N[C-]1N=C=NN1C	885614923	QYJYPXKOSNHXHT-ZCFIWIBFSA-N	192.202	-1.066	70	10	AAIE	
COCCOCNC(=O)NCCO	217311114	PQKNDYFHLAKMMX-UHFFFAOYSA-N	192.215	-1.102	70	10	AAIE	
CCN1N=C=N[C]1[C@@H](O)C1=C=NNN1	885210561	WKGSHQIJTKXNJH-LURJTMIESA-N	193.190	-1.162	70	10	AAIE	
CCSC[C@H](O)[C@H](O)[C@H](O)CO	217403075	GJCXGDMHAPQQBZ-DSYKOEDSSA-N	196.268	-1.186	70	10	AAIE	
CN1N=C=N[C-]1[C@H](N)C1=C=[N+](C)NN1	885615594	YEKXMBJKCRCEQV-ZCFIWIBFSA-N	193.214	-1.944	70	10	AAIE	
N=C(N)CNS(=O)(=O)NC1CC1	161116582	UALDNWSDRZGXKT-UHFFFAOYSA-N	192.244	-1.491	70	10	AAIE	
CN1CCCNC(=O)[C@H]1CO	218660402	IECQUWOCRJHUKO-ZCFIWIBFSA-N	158.201	-1.201	70	10	AAIE	
CN1NN=C=C1NC[C-]1N=C=NN1C	885615468	UQRBWUQQVBCLHH-UHFFFAOYSA-N	192.206	-1.024	70	10	AAIE	
NCCOCCNS(=O)(=O)F	2241915159	NYNUPUHOOIMZMR-UHFFFAOYSA-N	186.208	-1.234	70	10	AAIE	
O=C1CC[C@H](C(=O)N[C]2N=C=NN2)N1	885212893	VWHIUXUDNJIXCO-SCSAIBSYSA-N	194.174	-1.480	70	10	AAIE	
NC[C@@H]1C[C@H](O)CN1S(=O)(=O)F	2241920457	KCITXSCXUACNRL-WHFBIAKZSA-N	198.219	-1.405	70	10	AAIE	
O=S(=O)(F)N[C@H]1CNCC[C@H]1O	2241920956	QBOKCFBFMGAEKW-CRCLSJGQSA-N	198.219	-1.487	70	10	AAIE	
O=S(=O)(F)N[C@@H]1CNC[C@@H]1O	2241915849	YDHVPVLHQMWASY-DMTCNVIQSA-N	184.192	-1.877	70	10	AAIE	
NCC(CN)NS(=O)(=O)F	2241920307	IBCUPVULIBTACN-UHFFFAOYSA-N	171.197	-1.924	70	10	AAIE	
NC(=O)CONCc1ccncn1	160284009	DULZGLOCFCNKKJ-UHFFFAOYSA-N	182.183	-1.017	70	10	AAIE	
N[C@@H]1CC(=O)N(CCN2N=C=NN2)C1	885802992	BBLBDHGRAIDRNM-ZCFIWIBFSA-N	196.214	-1.630	70	10	AAIE	
CCNS(=O)(=O)NC1CC(N)C1	160815604	FQIYMEAOYZRMLU-UHFFFAOYSA-N	193.272	-1.080	70	10	AAIE	
C[C@H](O)[C@@H](N)CNS(=O)(=O)F	2241921239	UEXRGALTQLJRFH-IMJSIDKUSA-N	186.208	-1.502	70	10	AAIE	
CN1N=C([C@H](N)[C-]2C#CN=C=N2)NN1	885573149	NKTKYNGJWWFWHO-ZCFIWIBFSA-N	190.190	-1.738	70	10	AAIE	
Cn1cnnc1CNOCC(N)=O	160342090	CBLYLZWSWRUORV-UHFFFAOYSA-N	185.187	-1.678	70	10	AAIE	
NC(=O)CONC(=O)[C@H]1C=C[C@@H](N)C1	160359368	DSCCTNVUVMNTSI-NTSWFWBYSA-N	199.210	-1.577	70	10	AAIE	
[SiH3]C[SiH2][C@@H]([SiH3])Br	307200685	CFAFQVZRELXFLQ-UWTATZPHSA-N	199.272	-2.060	70	10	AAIE	
N[C@H]1CN(CCN2N=C=NN2)C1=O	885404230	BDMVKFQJVVKRCW-YFKPBYRVSA-N	182.187	-2.020	70	10	AAIE	
CN1N=C=N[C-]1CN[C@@H]1CCNC1=O	885768193	MNYRWKZEJSAHRY-ZCFIWIBFSA-N	194.218	-1.012	70	10	AAIE	
N[C@@H](CNS(=O)(=O)F)C(=O)O	2241914371	CTQBABXAWLTXDQ-REOHCLBHSA-N	186.164	-1.798	70	10	AAIE	
NCCOCC(=O)NOCC(N)=O	160347261	ZRLZOOIQGBHYML-UHFFFAOYSA-N	191.187	-2.505	70	10	AAIE	
CC(=O)N[C@H](C)C(=O)N[C]1N=C=NN1	885216994	FPMDRXZPKMBHSO-SCSAIBSYSA-N	196.190	-1.234	70	10	AAIE	
O=S(=O)(F)N1CCNC[C@H](O)C1	2241915153	NVHXDNMYHCQAFG-YFKPBYRVSA-N	198.219	-1.533	70	10	AAIE	
C[C@@H]1C/[N+](=C2/N=C=N[C-](N)N2)C[C@H]1O	885767992	FIOQBXARQHYNAW-PHDIDXHHSA-O	195.226	-1.452	70	10	AAIE	
NC[C@@H](CO)NS(=O)(=O)F	2241920124	FSRGESDFOGPDQJ-VKHMYHEASA-N	172.181	-1.890	70	10	AAIE	
O=S(=O)(F)NC1(CCO)CNC1	2241921108	SAVZIHKPCXEEGC-UHFFFAOYSA-N	198.219	-1.485	70	10	AAIE	
CN1NNN=C1C(=O)[C-]1C#CN=C=N1	885555334	PXEMYXFJWHPKQT-UHFFFAOYSA-N	189.158	-1.496	70	10	AAIE	
CN1N=C([C@@H](N)C2=[N+](C)N=C=N2)NN1	885670876	KJWRSOOVHNYAMC-SCSAIBSYSA-N	195.210	-2.275	70	10	AAIE	
C[C@@H]1CN(C)C(=O)[C@@H](CO)N1	218658887	CXWDAMUUYBJWSZ-PHDIDXHHSA-N	158.201	-1.203	70	10	AAIE	
C[C@@H](CO)CNC(C)(CO)CO	160963059	WOVLHKCPKLIIJP-SSDOTTSWSA-N	177.244	-1.052	70	10	AAIE	
OB1NN=Cc2ccoc21	196124049	AQWRYWSXPQWTSZ-UHFFFAOYSA-N	135.919	-1.096	70	10	AAIE	
O[CH]C1=C=[N+](CC2=NN=C=N2)NN1	885197805	KHPDRJFJFJZQIZ-UHFFFAOYSA-N	178.155	-1.389	70	10	AAIE	
N[C-]1N=C=N/C(=[N+]2/CC[C@H](CO)C2)N1	885767752	QHXISEDGBPQQEW-LURJTMIESA-O	195.226	-1.450	70	10	AAIE	
NC1(CNS(=O)(=O)F)COC1	2241914776	JBLVEZLFMCXRMI-UHFFFAOYSA-N	184.192	-1.482	70	10	AAIE	
C[C@H]1CNC(=O)[C@H](CO)N1C	218659700	ZLBDZTJLXBJWNF-WDSKDSINSA-N	158.201	-1.203	70	10	AAIE	
N[C-]1N=C=NC(OCCO)=N1	642872851	SOSDPELTJYERTK-UHFFFAOYSA-N	155.137	-1.056	70	10	AAIE	
CN1CC[C@]2(C1)OC(N)=NC2=O	160715082	AQAIIYXNAQYNNW-SSDOTTSWSA-N	169.184	-1.068	70	10	AAIE	
O=S(=O)(F)N[C@@H]1CNOC1	2241914422	DKHHDQCIKYRQGH-GSVOUGTGSA-N	170.165	-1.306	70	10	AAIE	
O=C1CN(S(=O)(=O)Cl)CCN1	100254180	VZWVQJXXLNFFPC-UHFFFAOYSA-N	198.631	-1.098	70	10	AAIE	
O=C(NCC1=NN=C=N1)C1=C=NNN1	885206532	QULRLTFCKCHAQY-UHFFFAOYSA-N	191.154	-1.820	70	10	AAIE	
CN1N=C=N[C]1C[C@@H](N)C1=C=NNN1	885209647	YXSRIWJOFRSYRJ-RXMQYKEDSA-N	192.206	-1.196	70	10	AAIE	
O=S(=O)(F)c1nn[nH]n1	1536219811	HDTBJVAOAXWOSK-UHFFFAOYSA-N	152.110	-1.142	70	10	AAIE	
NC(=O)[C@@H]1P=CN[C@H]1N	104598877	OSSYDJGBUNEXCF-PWNYCUMCSA-N	145.102	-1.566	70	10	AAIE	
NC(=O)CO[C@@H](CC(N)=O)C(N)=O	217918419	KJSPLGUEFXREQE-VKHMYHEASA-N	189.171	-2.782	70	10	AAIE	
CN1B(O)[C@@H](N(C)C)CNC1=O	238299534	APEKNCPHXQNPSW-YFKPBYRVSA-N	171.009	-1.409	70	10	AAIE	
NC1=NON[C]1C(=O)NC1=NN=C=N1	885212690	HFFPFAIXROILCW-UHFFFAOYSA-N	194.134	-2.100	70	10	AAIE	
NCCN1NNN/C1=C1\C#CN=C=N1	885573124	IYTXLKRIAHTKNT-SREVYHEPSA-N	191.198	-1.908	70	10	AAIE	
CNCCCC(=O)NOCC(N)=O	160360438	LPSUFAVYSIVITJ-UHFFFAOYSA-N	189.215	-1.481	70	10	AAIE	
CN1N=C=N[C-]1CN1NN=C=C1CO	885668827	FGTITQOFJOJDEH-UHFFFAOYSA-N	193.190	-1.209	70	10	AAIE	
NC(=O)CONC(=O)[C@@H]1CCNC1	160349116	STGKHFCVFXBCCQ-RXMQYKEDSA-N	187.199	-1.871	70	10	AAIE	
CC(=O)NCC(=O)NC1(CO)CC1	161080044	MSNLBBHPZZZPMY-UHFFFAOYSA-N	186.211	-1.236	70	10	AAIE	
CC[C@@H](N)CC(=O)NOCC(N)=O	160362890	NQBBOUCAXJBCDD-RXMQYKEDSA-N	189.215	-1.353	70	10	AAIE	
CNC[C@H]1CN(C)CC(=O)N1	218643365	DMXXRJCKZPQALZ-LURJTMIESA-N	157.217	-1.364	70	10	AAIE	
O[C@H](CCl)CO[Cl+3](O)(O)O	307487226	VSSRZLOTFBTYNN-GSVOUGTGSA-N	196.006	-1.604	70	10	AAIE	
CN1N=C=N[C-]1CN[C@H]1COC[C@H]1O	885894840	WQQGFDOYGKXJLA-NKWVEPMBSA-N	197.218	-1.141	70	10	AAIE	
CNS(=O)(=O)NCCOCCN	161041775	ILOBANBKYBEYJC-UHFFFAOYSA-N	197.260	-1.985	70	10	AAIE	
CCN1N=C=N[C]1[C@@H](N)C1=C=NNN1	885208565	UNPZALODACSMQW-LURJTMIESA-N	192.206	-1.196	70	10	AAIE	
CN(CC(N)=O)S(=O)(=O)F	1923412557	ABAWUUMAWHFGDA-UHFFFAOYSA-N	170.165	-1.382	70	10	AAIE	
C[C@]1(O)CC/[N+](=C2/N=C=N[C-](N)N2)C1	885768273	UVUSWMXYCPEUEJ-QMMMGPOBSA-O	195.226	-1.308	70	10	AAIE	
O=S(=O)(F)N1CCNNCC1	2241915895	YWQBCAYUMFOPTP-UHFFFAOYSA-N	183.208	-1.390	70	10	AAIE	
COC(=O)CCNS(N)(=O)=O	160787743	RPAVJEXQKXTHHR-UHFFFAOYSA-N	182.201	-1.657	70	10	AAIE	
CO[C@]1(CCO)C[C@H](O)[C@H](CO)O1	217628017	QAFIQGLQJIXTEO-FXQIFTODSA-N	192.211	-1.146	70	10	AAIE	
CN1C#CN[C-]1[C@H](O)[C-]1N=C=NN1C	885614913	PUXBBIVCTPBIAM-LURJTMIESA-N	191.194	-1.186	70	10	AAIE	
C[C@@H](NOCC(N)=O)C(=O)N(C)C	160324625	RWDQUPYEEUFPGF-RXMQYKEDSA-N	189.215	-1.530	70	10	AAIE	
O=S(=O)(F)N[C@H]1CNOC1	2241920032	DKHHDQCIKYRQGH-VKHMYHEASA-N	170.165	-1.306	70	10	AAIE	
CN(C)[C@H]1CNC(=O)NB1O	238299544	YEQQTXUCPHDBSK-BYPYZUCNSA-N	156.982	-1.751	70	10	AAIE	
O=CN1CCN(S(=O)(=O)F)CC1	1953574826	XJRKMOLEEHBYMN-UHFFFAOYSA-N	196.203	-1.025	70	10	AAIE	
C/[N+](=C1/N=C=N[C-](N)N1)C(C)(C)CO	885853957	BWLJPLBXRGBIAB-UHFFFAOYSA-O	197.242	-1.062	70	10	AAIE	
O=S(=O)(F)NNCCO	2241914734	IPTBMQKURSNCHW-UHFFFAOYSA-N	158.154	-1.713	70	10	AAIE	
O=C(CO)N1CC(S(=O)(=O)F)C1	1881477978	CVVFBCMLDOFMLA-UHFFFAOYSA-N	197.187	-1.511	70	10	AAIE	
N[C@H]1COCC[C@@H]1NS(=O)(=O)F	2241914324	CDJSZTSULGCHSV-WHFBIAKZSA-N	198.219	-1.094	70	10	AAIE	
CCn1ncnc1CNOCC(N)=O	160322806	YTMLSJRNNCZKRC-UHFFFAOYSA-N	199.214	-1.196	70	10	AAIE	
[SiH3]N([SiH3])[SiH3]	256080830	VOSJXMPCFODQAR-UHFFFAOYSA-N	107.337	-3.870	70	10	AAIE	
CNS(=O)(=O)NC[C@H](N)[C@@H](C)O	160887276	ZZNDIQQWJBTEEL-UHNVWZDZSA-N	197.260	-2.252	70	10	AAIE	
C[SiH](O)O	196745405	WWDSCWXXCRBQLK-UHFFFAOYSA-N	78.143	-1.179	70	10	AAIE	
CCNS(=O)(=O)NCC(N)=O	160451413	SWLBEKOWWIWMHY-UHFFFAOYSA-N	181.217	-2.084	70	10	AAIE	
C[C@H](CN)CC(=O)NOCC(N)=O	160349754	BKTYHWMCRLLATA-YFKPBYRVSA-N	189.215	-1.496	70	10	AAIE	
NC(=O)CONS(=O)(=O)C1CC1	160321760	XKNCMXUCYIKDNR-UHFFFAOYSA-N	194.212	-1.515	70	10	AAIE	
CN(C)C(=O)CCNOCC(N)=O	160324797	WLWFIRYJTNWEBN-UHFFFAOYSA-N	189.215	-1.529	70	10	AAIE	
CCN1CCN[C@@H](CO)C1=O	218658282	INPBDKBKDJBXOB-LURJTMIESA-N	158.201	-1.201	70	10	AAIE	
COCCNC(=O)CNC#N	161221555	KVDKEGPIMLQMTA-UHFFFAOYSA-N	157.173	-1.180	70	10	AAIE	
[SiH3][C@H](Cl)[SiH2][C@H]([SiH3])Cl	307324711	FFNWGZPIIHRKDA-LWMBPPNESA-N	189.266	-2.069	70	10	AAIE	
NC(=O)[C@H]1P=CN[C@@H]1N	104598879	OSSYDJGBUNEXCF-HRFVKAFMSA-N	145.102	-1.566	70	10	AAIE	
CN1N=C=N[C-]1CNC1=C=[N+](C)NN1	885615402	NXXQPENJYJYGBI-UHFFFAOYSA-N	193.214	-1.724	70	10	AAIE	
CC(=O)[C@@H](C)O[Cl+3](O)(O)O	238414402	BFJUVTUZPHZUCD-SCSAIBSYSA-N	173.572	-1.226	70	10	AAIE	
N[C@H]1CCN(CCN2N=C=NN2)C1=O	885803181	ZVKPHCZXQZHDRR-LURJTMIESA-N	196.214	-1.630	70	10	AAIE	
C[C@H](NS(=O)(=O)F)C1(O)CNC1	2241918938	NPXRWNLQBLDEHU-BYPYZUCNSA-N	198.219	-1.487	70	10	AAIE	
COCCNS(=O)(=O)NCCO	161241576	PEVUHSAJNVOXRF-UHFFFAOYSA-N	198.244	-1.951	70	10	AAIE	
[N-]=[N+]=Cc1cc([SiH3])ccn1	306936056	JCNUNSVWBQXFGY-UHFFFAOYSA-N	149.229	-1.279	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)[C@@]1(N)CCOC1	885894669	HFZDHZQPBXAUAF-POYBYMJQSA-N	197.218	-1.011	70	10	AAIE	
C[C@H](O)[C@H](N)CNS(=O)(=O)F	2241921240	UEXRGALTQLJRFH-IUYQGCFVSA-N	186.208	-1.502	70	10	AAIE	
O=S(=O)(F)NOC1CNC1	2241921253	UJYOJXIVACXDRU-UHFFFAOYSA-N	170.165	-1.306	70	10	AAIE	
O=C(Cn1ccnn1)NC1(CO)CC1	161085591	WWCQEDTTZRVWND-UHFFFAOYSA-N	196.210	-1.081	70	10	AAIE	
NCCN(CCN)S(=O)(=O)F	2241914424	DKOUXIMDCBTXTI-UHFFFAOYSA-N	185.224	-1.580	70	10	AAIE	
C[C@@H](NS(=O)(=O)F)C1(O)CNC1	2241918939	NPXRWNLQBLDEHU-SCSAIBSYSA-N	198.219	-1.487	70	10	AAIE	
O=C1CN(S(=O)(=O)F)CCN1	1953245964	FGCPSRPAXXVURU-UHFFFAOYSA-N	182.176	-1.368	70	10	AAIE	
CN1N=C=N[C-]1[C@H](O)[C@H]1CNCCO1	885894834	VUCIBZTVLICEMU-RNFRBKRXSA-N	197.218	-1.141	70	10	AAIE	
[SiH3]C([SiH3])Br	306459098	GPTNZFKYCZZGDR-UHFFFAOYSA-N	155.143	-1.604	70	10	AAIE	
C[C@H]1CN[C@@H](CO)C(=O)N1C	218658609	DFXWWHGZSKGHIU-WDSKDSINSA-N	158.201	-1.203	70	10	AAIE	
CNC[C@@H](C)C(=O)NOCC(N)=O	160348009	QFVKDFANZVWJSJ-RXMQYKEDSA-N	189.215	-1.625	70	10	AAIE	
C[C@@H]1CNC(=O)[C@H](CN)N1C	218642258	TUCRKIGFAKXQRP-RITPCOANSA-N	157.217	-1.236	70	10	AAIE	
CN1N=C=N[C-]1CN[C@@H]1CNC[C@H]1O	885854062	OASHLOJYOGTYJL-RNFRBKRXSA-N	196.234	-1.568	70	10	AAIE	
COC[C@@H](N)C(=O)NOCC(N)=O	160350130	LHYGOFYDZMFZAN-SCSAIBSYSA-N	191.187	-2.507	70	10	AAIE	
C[C@](N)(CO)CNS(=O)(=O)F	2241914486	FFIBOJDNUXQETR-SCSAIBSYSA-N	186.208	-1.500	70	10	AAIE	
COC[C@H](N)C(=O)NOCC(N)=O	160349996	LHYGOFYDZMFZAN-BYPYZUCNSA-N	191.187	-2.507	70	10	AAIE	
NCCCCC(=O)NOCC(N)=O	160360102	QRJZCODETSEFLQ-UHFFFAOYSA-N	189.215	-1.352	70	10	AAIE	
CNS(=O)(=O)NCc1nnc[nH]1	160769849	CJZSZUJKSMJXIQ-UHFFFAOYSA-N	191.216	-1.642	70	10	AAIE	
O=C1NCCN(C2CC2)[C@H]1CO	218782056	SVSNVYBWBUKQDH-ZETCQYMHSA-N	170.212	-1.059	70	10	AAIE	
N[C@@H](CO)CNS(=O)(=O)F	2241920625	LVODTRUIFFPVQE-GSVOUGTGSA-N	172.181	-1.890	70	10	AAIE	
O=C(Cn1cnnn1)NC1(CO)CC1	159908202	YIOHCGXWRHJVJM-UHFFFAOYSA-N	197.198	-1.686	70	10	AAIE	
Cn1ccnc1CNOCC(N)=O	160302951	WYAVWKGVIKEGDT-UHFFFAOYSA-N	184.199	-1.073	70	10	AAIE	
NC[C@H]1COC[C@@H]1NS(=O)(=O)F	2241919721	ZHPTUJIEEJUCOF-WHFBIAKZSA-N	198.219	-1.236	70	10	AAIE	
COCCNC(=O)CNC(N)=S	161203166	LPNVRIYRPQABQV-UHFFFAOYSA-N	191.256	-1.418	70	10	AAIE	
CNS(=O)(=O)NC(CO)CO	160696749	AOIOVQVTPZVDGU-UHFFFAOYSA-N	184.217	-2.607	70	10	AAIE