smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN(CC)CCNS(N)(=O)=O	160782749	OPJSMPUWCALRDV-UHFFFAOYSA-N	195.288	-0.879	70	20	ABID	
CO[C@@H](C)C(=O)NCCn1ccnn1	159652135	MMHDQJYMZSVTBN-ZETCQYMHSA-N	198.226	-0.571	70	20	ABID	
CCOC(=O)[C@H](N)C(=O)NC1CC1	160035113	LUNIQAOGNAQMTG-ZCFIWIBFSA-N	186.211	-0.845	70	20	ABID	
C[C@H](CC(N)=O)NCc1cnnn1C	160801609	GLLFCBSUNVYVSQ-ZCFIWIBFSA-N	197.242	-0.831	70	20	ABID	
CNS(=O)(=O)N[C@@H](C)C[C@@H](C)N	161076096	LEZGDYILNGITPB-RITPCOANSA-N	195.288	-0.834	70	20	ABID	
CNCCN(C)C(=O)[C@@H](C)OC	161162385	XPAGNQYWUJNVMQ-SSDOTTSWSA-N	174.244	-0.301	70	20	ABID	
CO[C@H](C)C(=O)NCC[C@H](C)N	160926584	WHJFFKIVDVZXPX-NKWVEPMBSA-N	174.244	-0.125	70	20	ABID	
CNC(=O)[C@@H](C)NC(=O)[C@H](C)OC	160540330	PYPSAGOYWMVHDK-RITPCOANSA-N	188.227	-0.728	70	20	ABID	
CO[C@@H](C)C(=O)NCCN(C)C	160502129	VOKJFENZJSNISI-ZETCQYMHSA-N	174.244	-0.301	70	20	ABID	
CO[C@H](C)C(=O)NC[C@H](C)CO	160866132	PNDIKMPFMOERGN-NKWVEPMBSA-N	175.228	-0.234	70	20	ABID	
CCNS(=O)(=O)NC[C@H](O)CC	160741336	TZRPACJAPIBCHJ-ZCFIWIBFSA-N	196.272	-0.799	70	20	ABID	
CO[C@H](C)C(=O)NC[C@@H]1CCCN1	160928221	KVUKAYNOHHYWQX-SFYZADRCSA-N	186.255	-0.111	70	20	ABID	
CO[C@H](C)C(=O)NCCNC(C)=O	160509517	FZTMGNBZHQUQPF-ZCFIWIBFSA-N	188.227	-0.726	70	20	ABID	
C[C@H](CNCCC(N)=O)N(C)C1CC1	218641834	XIVZYGSJCKDHOI-MRVPVSSYSA-N	199.298	-0.066	70	20	ABID	
Cc1cccnc1CNC(CO)CO	159877210	YLOGPFNPZPSXLP-UHFFFAOYSA-N	196.250	-0.167	70	20	ABID	
CO[C@@H](C)C(=O)NCCNC(C)=O	160509409	FZTMGNBZHQUQPF-LURJTMIESA-N	188.227	-0.726	70	20	ABID	
CCNS(=O)(=O)N(C)C[C@H](C)N	161043345	VHCJCHCELDZDAE-LURJTMIESA-N	195.288	-0.880	70	20	ABID	
CN(C)C(=O)CSc1cn[nH]n1	217071755	BYNUYNHGMORQNL-UHFFFAOYSA-N	186.240	-0.015	70	20	ABID	
CC(=O)OCCCS(C)(=O)=O	218229178	ZEKUZGRYZKMEDA-UHFFFAOYSA-N	180.225	-0.016	70	20	ABID	
CCOC(=O)CNC(=O)[C@@H](C)OC	160547752	RPJUOEOKTPYNGC-ZCFIWIBFSA-N	189.211	-0.299	70	20	ABID	
CNS(=O)(=O)NC[C@@H](C)CCO	160710710	RHQQVGCLBJLWTG-LURJTMIESA-N	196.272	-0.941	70	20	ABID	
CO[C@H](C)C(=O)N[C@@H](CN)C1CC1	160939954	SHUVYJIQXFSJIC-SVRRBLITSA-N	186.255	-0.125	70	20	ABID	
CCC[C@H](O)CNC[C@H](O)COC	217905928	LHPLPAJQFXPVRN-IUCAKERBSA-N	191.271	-0.256	70	20	ABID	
CO[C@@H]1COC[C@@H]1S(=O)(=O)F	307360742	GOUJURCUIDJLCN-UHNVWZDZSA-N	184.188	-0.301	70	20	ABID	
CCC[C@H](O)CNC(=O)[C@H](C)NC	217962811	OBEUYQHGCMGWLH-YUMQZZPRSA-N	188.271	-0.129	70	20	ABID	
COC(=O)[C@H](C)NC(=O)[C@@H](C)OC	160548005	SCTLKMCCVSDORH-NTSWFWBYSA-N	189.211	-0.301	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@H](C)CN	160969716	MDJNXOBXYAYYJZ-RQJHMYQMSA-N	174.244	-0.268	70	20	ABID	
CCn1cnnc1CNC(=N)NC	218000332	BVIVCZFVVBLZMD-UHFFFAOYSA-N	182.231	-0.458	70	20	ABID	
CO[C@@H](C)C(=O)NCC(C)(C)O	160794794	DOSWWIOGUQHZKQ-LURJTMIESA-N	175.228	-0.092	70	20	ABID	
CCC[C@H](O)CNC(=O)[C@@H](C)CN	217960815	NRYABPPKSQZNDO-YUMQZZPRSA-N	188.271	-0.142	70	20	ABID	
CCC[C@H](O)CNC(=O)CCNC	217963787	TZRDPLMEOJAIRJ-QMMMGPOBSA-N	188.271	-0.127	70	20	ABID	
CCNS(=O)(=O)NC[C@@H](N)CC	160863580	NHFZNZIJFJIWFR-LURJTMIESA-N	195.288	-0.832	70	20	ABID	
COC(=O)CN1CC[C@@H]([C@@H](C)O)C1	159393990	RIRLTBQIHDJQJH-HTQZYQBOSA-N	187.239	-0.138	70	20	ABID	
CO[C@H](C)C(=O)NCCOC(N)=O	161205374	VRISQOSUCNEVIF-RXMQYKEDSA-N	190.199	-0.767	70	20	ABID	
COC(=O)[C@@H](C)NC(=O)C(F)F	217659678	WUCQTEAAIKTVIB-GSVOUGTGSA-N	181.138	-0.071	70	20	ABID	
CCCNS(=O)(=O)N[C@@H](C)CN	160133696	PNJYZEGJQOITLK-LURJTMIESA-N	195.288	-0.832	70	20	ABID	
NCC[C@@H]1CCN(CC(N)=O)C1	160055756	SNNMBWAHDARBGI-SSDOTTSWSA-N	171.244	-0.858	70	20	ABID	
COC(=O)[C@@H](O)CNC(=O)C1CC1	217677224	HYKRHXVPOCCAGI-LURJTMIESA-N	187.195	-0.954	70	20	ABID	
CCCNS(=O)(=O)NCCNC	160842314	ZXHZOBPOGJDFMQ-UHFFFAOYSA-N	195.288	-0.960	70	20	ABID	
CCCNS(=O)(=O)N[C@H](C)CN	160133832	PNJYZEGJQOITLK-ZCFIWIBFSA-N	195.288	-0.832	70	20	ABID	
CCCCOCCNS(N)(=O)=O	160907815	KGCHQIUPVXBVBU-UHFFFAOYSA-N	196.272	-0.404	70	20	ABID	
COC[C@H]1COCCN1C(N)=O	218224357	HJHAFKLRXNONRZ-LURJTMIESA-N	174.200	-0.588	70	20	ABID	
COC(=O)CCNC(=O)[C@H](C)OC	160509143	MEKHWVKHZBGDNO-LURJTMIESA-N	189.211	-0.299	70	20	ABID	
COC(=O)[C@H](C)[C@@H](N)C(=O)OC	218482527	ASDPWFLONREADP-RFZPGFLSSA-N	175.184	-0.704	70	20	ABID	
CCC[C@@H](O)CNS(=O)(=O)NC	160744745	HLLBMIFJFBAFRL-ZCFIWIBFSA-N	196.272	-0.799	70	20	ABID	
CO[C@@H](C)C(=O)NCCOC(N)=O	161205272	VRISQOSUCNEVIF-YFKPBYRVSA-N	190.199	-0.767	70	20	ABID	
CCN(C)C(=O)[C@@H](C)NC(N)=O	218024361	JSRJJIOEZGBMSV-RXMQYKEDSA-N	173.216	-0.479	70	20	ABID	
CCCNS(=O)(=O)NC[C@H](C)N	160860669	TXPQVHUMLKOEGO-LURJTMIESA-N	195.288	-0.832	70	20	ABID	
C[C@H](O)C[C@@H]1CCCN1CC(N)=O	159366411	IPWWBSSKKSOOSL-YUMQZZPRSA-N	186.255	-0.293	70	20	ABID	
COCCNC(=O)[C@@H](C)OC	160494933	JJSBQCRYMDWYBN-ZCFIWIBFSA-N	161.201	-0.216	70	20	ABID	
CO[C@H](C)C(=O)N(C)Cc1nnc[nH]1	160645724	ONHSTANDTNHXDW-ZCFIWIBFSA-N	198.226	-0.202	70	20	ABID	
CC(C)NS(=O)(=O)N[C@H](C)CN	160133598	BQFLPORBPBTJAM-ZCFIWIBFSA-N	195.288	-0.834	70	20	ABID	
CCNS(=O)(=O)N(CC)CCN	160143739	PPOBYZSSYSTLEC-UHFFFAOYSA-N	195.288	-0.879	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@@H]1CCCN1	160928079	KVUKAYNOHHYWQX-YUMQZZPRSA-N	186.255	-0.111	70	20	ABID	
CO[C@@H](C)C(=O)N(C)C[C@H](C)O	160824437	HMIOPEXNEASFKV-BQBZGAKWSA-N	175.228	-0.140	70	20	ABID	
COC(=O)[C@@H](C)[C@@H](N)C(=O)OC	218482443	ASDPWFLONREADP-CRCLSJGQSA-N	175.184	-0.704	70	20	ABID	
CO[C@@H](C)C(=O)NCC[C@H](C)N	160926809	WHJFFKIVDVZXPX-BQBZGAKWSA-N	174.244	-0.125	70	20	ABID	
Cc1c(O)ccc2c1B(O)OC2	222558000	QAXCLOJZBAFVOD-UHFFFAOYSA-N	163.969	-0.082	70	20	ABID	
CCOCC(=O)NCCn1ccnn1	159652821	LLWALSBXWHWXII-UHFFFAOYSA-N	198.226	-0.569	70	20	ABID	
CO[C@@H](C)C(=O)NCCOCCO	160527163	JHRLLRGHPGMEMK-ZETCQYMHSA-N	191.227	-0.854	70	20	ABID	
Cc1cc(Cn2ncn(C)c2=O)on1	160409399	DOACITYFKPGHRN-UHFFFAOYSA-N	194.194	-0.073	70	20	ABID	
COCCCCNS(N)(=O)=O	160852969	SXYXSKWMWKHOCP-UHFFFAOYSA-N	182.245	-0.794	70	20	ABID	
CCN(C)C(=O)CN[C@@H](C)[C@@H](C)O	218075647	NJAOHHMQXLBLMD-JGVFFNPUSA-N	188.271	-0.176	70	20	ABID	
CCNS(=O)(=O)N[C@@H](C)CCN	160164377	QNWMPCGHIPWAOK-LURJTMIESA-N	195.288	-0.832	70	20	ABID	
COC(=O)CN1CC[C@H]([C@H](C)O)C1	159394125	RIRLTBQIHDJQJH-YUMQZZPRSA-N	187.239	-0.138	70	20	ABID	
CNC(=O)[C@@H](C)NC(=O)[C@@H](C)OC	160540084	PYPSAGOYWMVHDK-PHDIDXHHSA-N	188.227	-0.728	70	20	ABID	
CC[C@@H](C(N)=O)N1CC[C@H](CCN)C1	160071035	AFOFIIQBKCZATC-IUCAKERBSA-N	199.298	-0.079	70	20	ABID	
COc1cc2c(cc1OC)B(O)OC2	196295031	XBMUEPZEBNAJGQ-UHFFFAOYSA-N	193.995	-0.079	70	20	ABID	
CCNCC(=O)N1CC[C@@H](CO)C1	159363264	HKMCTHZQMRAQBH-MRVPVSSYSA-N	186.255	-0.563	70	20	ABID	
Cc1cnccc1CNC[C@@H](O)CO	160609499	PKCOEUXEBCUXOA-SNVBAGLBSA-N	196.250	-0.167	70	20	ABID	
CNS(=O)(=O)N[C@H](C)CCCO	160720632	SMYBBEQZGQPULD-ZCFIWIBFSA-N	196.272	-0.799	70	20	ABID	
O=[N+]([O-])CCS(=O)(=O)Cl	100649258	FEKOETYNDSDXCS-UHFFFAOYSA-N	173.577	-0.168	70	20	ABID	
CCNC(=O)CNC(=O)[C@@H](C)OC	160512168	ONJMRHHJNJLGAG-ZCFIWIBFSA-N	188.227	-0.726	70	20	ABID	
CCOC(=O)CNC(=O)[C@H](C)OC	160547884	RPJUOEOKTPYNGC-LURJTMIESA-N	189.211	-0.299	70	20	ABID	
C[C@@H](O)C[C@H]1CCCN1CC(N)=O	159366850	IPWWBSSKKSOOSL-HTQZYQBOSA-N	186.255	-0.293	70	20	ABID	
CNC(=O)CN1CC[C@@H](CCN)C1	160041124	XSHHSNXNBQVBJZ-MRVPVSSYSA-N	185.271	-0.597	70	20	ABID	
CCNC(=O)CN1CC[C@@H](CCN)C1	160069684	ZICPZXXRFDZRAN-SECBINFHSA-N	199.298	-0.207	70	20	ABID	
CNC(=O)CCNC(=O)[C@@H](C)OC	160551678	LOBLHLPLTQCHFA-ZCFIWIBFSA-N	188.227	-0.726	70	20	ABID	
C[C@]1(NC(=O)c2nnc[nH]2)CCOC1	160215911	XNVHXMOYKMSHCD-QMMMGPOBSA-N	196.210	-0.287	70	20	ABID	
CNC(=O)NCc1cn[nH]c1	160332340	AURPNQCRKZYNBV-UHFFFAOYSA-N	154.173	-0.161	70	20	ABID	
CNC(=O)CCNC(=O)[C@H](C)OC	160551554	LOBLHLPLTQCHFA-LURJTMIESA-N	188.227	-0.726	70	20	ABID	
NCC[C@H]1CCN(CC(N)=O)C1	160055884	SNNMBWAHDARBGI-ZETCQYMHSA-N	171.244	-0.858	70	20	ABID	
COC(=O)CCNC(=O)C(F)F	217613517	YPSBMFFEDYEQMD-UHFFFAOYSA-N	181.138	-0.069	70	20	ABID	
CO[C@H](C)C(=O)NC[C@@H](C)CO	160866269	PNDIKMPFMOERGN-RNFRBKRXSA-N	175.228	-0.234	70	20	ABID	
COC[C@H](O)CN1CCN[C@@H](C)C1	159597273	VANUDYAUBAVYJO-DTWKUNHWSA-N	188.271	-0.713	70	20	ABID	
COC(=O)CN1CC[C@@H]([C@H](C)N)C1	160597269	ASVTXWOJGPSUGA-JGVFFNPUSA-N	186.255	-0.172	70	20	ABID	
Cn1cnnc1CS(=O)(=O)Cl	157454607	GXGWNOCGWHPFFU-UHFFFAOYSA-N	195.631	-0.116	70	20	ABID	
CC(C)NS(=O)(=O)NC[C@H](C)N	160861727	CWEDTYMBXASXGN-LURJTMIESA-N	195.288	-0.834	70	20	ABID	
Cn1cnc(CCNC(=O)CCN)c1	217767760	DRXQRSJZANVNCC-UHFFFAOYSA-N	196.254	-0.572	70	20	ABID	
CN1CC[C@@H](S(=O)(=O)Cl)C1=O	157449873	SVSHGXDRQMUTJZ-SCSAIBSYSA-N	197.643	-0.214	70	20	ABID	
CCC[C@@H](O)CNC(=O)[C@H](C)CN	217960899	NRYABPPKSQZNDO-HTQZYQBOSA-N	188.271	-0.142	70	20	ABID	
C[C@@H](CNC(=O)[C@@H](C)N)N1CCCC1	161053432	DNCABURXHQMIDO-DTWKUNHWSA-N	199.298	-0.066	70	20	ABID	
CN(C)CC(=O)NCC1=CCNCC1	160510310	RABFTAJPUBDNRX-UHFFFAOYSA-N	197.282	-0.416	70	20	ABID	
CCNCC(=O)N1CC[C@H](CO)C1	159363113	HKMCTHZQMRAQBH-QMMMGPOBSA-N	186.255	-0.563	70	20	ABID	
CCN(CCCO)S(=O)(=O)NC	160737220	XVZVNJHMMYYMOR-UHFFFAOYSA-N	196.272	-0.845	70	20	ABID	
CCNC(=N)NCc1ncn(C)n1	218733537	JOXLFWAQNBJLGX-UHFFFAOYSA-N	182.231	-0.551	70	20	ABID	
CO[C@H](C)C(=O)NCC1(CO)CC1	160862598	IGXLOLRVLQQSAI-SSDOTTSWSA-N	187.239	-0.090	70	20	ABID	
CCOC(=O)NOCC(N)=O	160363620	VZAVAHZNWVAJPP-UHFFFAOYSA-N	162.145	-0.851	70	20	ABID	
O=C(CNC(=O)C(F)F)NC1CC1	218691759	AODQWHPCKWEIIU-UHFFFAOYSA-N	192.165	-0.354	70	20	ABID	
CNS(=O)(=O)NC[C@H](C)CCO	160710822	RHQQVGCLBJLWTG-ZCFIWIBFSA-N	196.272	-0.941	70	20	ABID	
CCOCCCNS(N)(=O)=O	160785278	OBDZWZWSACINEW-UHFFFAOYSA-N	182.245	-0.794	70	20	ABID	
NC1=NC(=O)[C@]2(CN3CCC2CC3)O1	160717788	YQCRJOCISRXINE-SECBINFHSA-N	195.222	-0.678	70	20	ABID	
Cn1cnn(C[C@@H]2CCCO2)c1=O	160408998	NNDGOYFFTYWHEG-ZETCQYMHSA-N	183.211	-0.239	70	20	ABID	
CO[C@@H](C)C(=O)NCC(=O)N(C)C	160511918	UIYVMURHZHXIRP-LURJTMIESA-N	188.227	-0.774	70	20	ABID	
CO[C@H](C)C(=O)NC[C@H](N)C1CC1	161011001	OFADCCHEUJNKSW-SVRRBLITSA-N	186.255	-0.125	70	20	ABID	
CO[C@H](C)C(=O)NC[C@@H](N)C1CC1	161011247	OFADCCHEUJNKSW-HTRCEHHLSA-N	186.255	-0.125	70	20	ABID	
CNCCN(C)C(=O)[C@H](C)OC	161162215	XPAGNQYWUJNVMQ-ZETCQYMHSA-N	174.244	-0.301	70	20	ABID	
CNS(=O)(=O)N[C@H](C)C[C@@H](C)N	161075858	LEZGDYILNGITPB-PHDIDXHHSA-N	195.288	-0.834	70	20	ABID	
CC[C@H](CCO)NC(=O)CN(C)C	160513323	YNYSAEGFPPFQPU-MRVPVSSYSA-N	188.271	-0.175	70	20	ABID	
CCCNC(=O)[C@@H](N)C(=O)OCC	160031459	IJAPDJZPKOYFPW-ZCFIWIBFSA-N	188.227	-0.597	70	20	ABID	
CCN(CCNCCC(N)=O)C1CC1	218364484	XMMPDSPJOHWMKR-UHFFFAOYSA-N	199.298	-0.064	70	20	ABID	
CC(C)NC(=O)Cn1ncn(C)c1=O	160441838	FHKRUBJCAVNATR-UHFFFAOYSA-N	198.226	-0.894	70	20	ABID	
COC[C@@H](C)N(C)C[C@@H](O)CN	218647680	XNXAPYXBXMADAS-SFYZADRCSA-N	176.260	-0.727	70	20	ABID	
CC[C@H](C(N)=O)N(CC)CCCO	160725340	CAKFRMJUQZTNIK-MRVPVSSYSA-N	188.271	-0.045	70	20	ABID	
C[C@]1(NC(=O)c2c[nH]nn2)CCOC1	160215301	HIUOAANVLUWOPF-QMMMGPOBSA-N	196.210	-0.287	70	20	ABID	
Cc1nnnn1CCS(=O)(=O)F	883953161	JYMCLFJUIRBBCD-UHFFFAOYSA-N	194.191	-0.719	70	20	ABID	
CCC[C@H](O)CNS(=O)(=O)NC	160744632	HLLBMIFJFBAFRL-LURJTMIESA-N	196.272	-0.799	70	20	ABID	
C[C@@H](CNCCC(N)=O)N(C)C1CC1	218641757	XIVZYGSJCKDHOI-QMMMGPOBSA-N	199.298	-0.066	70	20	ABID	
CC[C@@H](CO)NC(=O)c1cncnc1	217850099	WRBPXXITPZMWQS-QMMMGPOBSA-N	195.222	-0.023	70	20	ABID	
C[C@@]1(NC(=O)c2c[nH]nn2)CCOC1	160215450	HIUOAANVLUWOPF-MRVPVSSYSA-N	196.210	-0.287	70	20	ABID	
CO[C@@H](C)C(=O)NCc1nncn1C	160541685	REKSPCTXLOFVPY-LURJTMIESA-N	198.226	-0.534	70	20	ABID	
C[C@@]1(CS(=O)(=O)F)COC(=O)N1	536955194	OIFIOCNVXXHRFR-YFKPBYRVSA-N	197.187	-0.216	70	20	ABID	
O=C1OCC[C@@H]1S(=O)(=O)F	238833218	ACWWGUXEKWTJSX-VKHMYHEASA-N	168.145	-0.399	70	20	ABID	
Cn1nncc1CS(=O)(=O)Cl	221428472	VHEXUGJYSSJVSC-UHFFFAOYSA-N	195.631	-0.116	70	20	ABID	
CN(C)C(=O)COc1cnn(C)c1	161345236	MXXOZDGRAWSYHT-UHFFFAOYSA-N	183.211	-0.113	70	20	ABID	
CCNCCNC(=O)[C@H](C)OC	160927927	QZOOXQDBTXBHHW-ZETCQYMHSA-N	174.244	-0.253	70	20	ABID	
CO[C@@H]1COC[C@H]1S(=O)(=O)F	307360741	GOUJURCUIDJLCN-RFZPGFLSSA-N	184.188	-0.301	70	20	ABID	
N#CCN(CC#N)S(=O)(=O)Cl	100603085	MKDHWASVMFSMPM-UHFFFAOYSA-N	193.615	-0.181	70	20	ABID	
CNCCCNC(=O)[C@@H](C)OC	160919639	QHQALFWKDFWPNJ-SSDOTTSWSA-N	174.244	-0.253	70	20	ABID	
CC[C@H](CCO)NC[C@@H](O)COC	217843897	OWEIMKUGSRSTMH-RKDXNWHRSA-N	191.271	-0.256	70	20	ABID	
CCNC(=O)CN1CC[C@H](CCN)C1	160069551	ZICPZXXRFDZRAN-VIFPVBQESA-N	199.298	-0.207	70	20	ABID	
CCNS(=O)(=O)NC[C@H](N)CC	160863686	NHFZNZIJFJIWFR-ZCFIWIBFSA-N	195.288	-0.832	70	20	ABID	
CCC[C@@H](O)CNC(=O)CCNC	217963707	TZRDPLMEOJAIRJ-MRVPVSSYSA-N	188.271	-0.127	70	20	ABID	
CC(C)NS(=O)(=O)N(C)CCN	160142391	CKZZBUKXHSAPCA-UHFFFAOYSA-N	195.288	-0.880	70	20	ABID	
C[C@H](CO)N(C)Cc1cn(C)nn1	218147482	DVVVGGVLTLYTMM-SSDOTTSWSA-N	184.243	-0.372	70	20	ABID	
CCCNS(=O)(=O)NC[C@H](C)O	160658660	SOZWIUGVPPYOAI-LURJTMIESA-N	196.272	-0.799	70	20	ABID	
CCCNS(=O)(=O)N(C)OC	160449370	KPGPEYKXJJGTBM-UHFFFAOYSA-N	182.245	-0.276	70	20	ABID	
CO[C@@H](C)C(=O)N(C)Cc1nnc[nH]1	160645627	ONHSTANDTNHXDW-LURJTMIESA-N	198.226	-0.202	70	20	ABID	
CNC(=S)N[C@@H]1CCOC1	159581927	CHADYHYKPXIQOO-RXMQYKEDSA-N	160.242	-0.131	70	20	ABID	
O=S(=O)(F)CCn1cncn1	883953525	YZCWROQFKCJKKL-UHFFFAOYSA-N	179.176	-0.423	70	20	ABID	
CO[C@H](C)C(=O)NCC[C@H](C)O	160632529	HWVGKBXDNDKMQI-NKWVEPMBSA-N	175.228	-0.092	70	20	ABID	
CNC(=S)N[C@H]1CCOC1	159582047	CHADYHYKPXIQOO-YFKPBYRVSA-N	160.242	-0.131	70	20	ABID	
CC[C@@H](CCO)NC[C@H](O)COC	217843958	OWEIMKUGSRSTMH-IUCAKERBSA-N	191.271	-0.256	70	20	ABID	
CO[C@@H](C)C(=O)N[C@H](CN)C1CC1	160940097	SHUVYJIQXFSJIC-POYBYMJQSA-N	186.255	-0.125	70	20	ABID	
CCNS(=O)(=O)N[C@H](C)CCN	160164509	QNWMPCGHIPWAOK-ZCFIWIBFSA-N	195.288	-0.832	70	20	ABID	
C[C@@H](CC(N)=O)N[C@H]1CCOC1	160672576	PPHGKFBFTDYIBV-BQBZGAKWSA-N	172.228	-0.371	70	20	ABID	
C[C@H](O)[C@@H]1CCN(C[C@H](O)CO)C1	159426300	BDZPKSDIYJYQCR-YIZRAAEISA-N	189.255	-0.958	70	20	ABID	
OCCOC1CCN(CCO)CC1	160285764	HRMKUGISNNUVTB-UHFFFAOYSA-N	189.255	-0.548	70	20	ABID	
CCNC(=O)CNC(=O)[C@H](C)OC	160512283	ONJMRHHJNJLGAG-LURJTMIESA-N	188.227	-0.726	70	20	ABID	
CO[C@H](C)C(=O)N(C)C[C@@H](C)O	160824316	HMIOPEXNEASFKV-RNFRBKRXSA-N	175.228	-0.140	70	20	ABID	
CC[C@@H](C)NC(=O)[C@H](N)CO	218676523	LSILVTDJFFLQIP-PHDIDXHHSA-N	160.217	-0.779	70	20	ABID	
C[C@@H](C(N)=O)N1CC[C@H](CCN)C1	160055464	RINPXOQDWGANMF-YUMQZZPRSA-N	185.271	-0.469	70	20	ABID	
C[C@H](CC(N)=O)NCCN1CCCC1	218618782	XFBRNDCODPIDJJ-SECBINFHSA-N	199.298	-0.064	70	20	ABID	
Cn1cnn(CC2CC2)c1=O	160409531	CTLNMIUOUPASFX-UHFFFAOYSA-N	153.185	-0.008	70	20	ABID	
CNC(=O)NCCCc1nnc[nH]1	160333284	MDCRKCMZAQDTJS-UHFFFAOYSA-N	183.215	-0.334	70	20	ABID	
COC(=O)c1cccc2c1B(O)OC2	204112898	KDWMNIUPUABYMG-UHFFFAOYSA-N	191.979	-0.309	70	20	ABID	
CC[C@@H](CO)NC(=O)c1ccn(C)n1	217851335	MVXHZIFYFOVTBO-ZETCQYMHSA-N	197.238	-0.079	70	20	ABID	
CC(C)NC(=N)NCc1ncn(C)n1	218733794	OLTGMDDUZQYHBE-UHFFFAOYSA-N	196.258	-0.163	70	20	ABID	
CCNC(=O)CC1(N)COC1	218652965	WVPJJFDSKGDVOA-UHFFFAOYSA-N	158.201	-0.760	70	20	ABID	
O=C1C[C@@H](CS(=O)(=O)Cl)CN1	211316074	CDWWJNQWSJPLFI-SCSAIBSYSA-N	197.643	-0.309	70	20	ABID	
CN(C)C(=O)[C@H](N)Cc1cnc[nH]1	217750611	NFKJCJAKXGHKLV-SSDOTTSWSA-N	182.227	-0.632	70	20	ABID	
Cn1ccc(C(=O)Nc2nnc[nH]2)n1	218030100	ZDONQBYTACATSL-UHFFFAOYSA-N	192.182	-0.210	70	20	ABID	
C/C=C/C[C@H](CO)NS(C)(=O)=O	218222970	ZHXPPBBCSSGUER-KGGZQZJCSA-N	193.268	-0.137	70	20	ABID	
COC(=O)[C@H](C)NC(=O)C(F)F	217659758	WUCQTEAAIKTVIB-VKHMYHEASA-N	181.138	-0.071	70	20	ABID	
CCC(=O)NC[C@H](O)C(=O)OC	217679552	YLKOLMKFJBCDBN-YFKPBYRVSA-N	175.184	-0.954	70	20	ABID	
CN1CC[C@H](S(=O)(=O)Cl)C1=O	157449737	SVSHGXDRQMUTJZ-BYPYZUCNSA-N	197.643	-0.214	70	20	ABID	
C[C@H](O)[C@H]1CCN(C[C@H](O)CO)C1	159426541	BDZPKSDIYJYQCR-CIUDSAMLSA-N	189.255	-0.958	70	20	ABID	
CN(C)CCS(=O)(=O)F	167711641	VCCBEFPGKBGDEH-UHFFFAOYSA-N	155.194	-0.153	70	20	ABID	
CCCNC(=O)[C@H](N)C(=O)OCC	160031343	IJAPDJZPKOYFPW-LURJTMIESA-N	188.227	-0.597	70	20	ABID	
COCC(=O)NC1(CO)CCC1	161113497	NBBVFDNESHJCFT-UHFFFAOYSA-N	173.212	-0.336	70	20	ABID	
CCN(C)C(=O)CN[C@@H](C)[C@H](C)O	218075808	NJAOHHMQXLBLMD-YUMQZZPRSA-N	188.271	-0.176	70	20	ABID	
C[C@H](CC(N)=O)NCc1cnc[nH]1	160799401	LBGCYJYFORMNKA-ZCFIWIBFSA-N	182.227	-0.237	70	20	ABID	
C[C@H](CC(N)=O)NCCCO	218509517	FCTKHTLMDSESMV-ZCFIWIBFSA-N	160.217	-0.778	70	20	ABID	
COC(=O)CN1CC[C@H]([C@@H](C)O)C1	159394260	RIRLTBQIHDJQJH-SFYZADRCSA-N	187.239	-0.138	70	20	ABID	
CNC(=O)[C@H](C)NC(=O)[C@@H](C)OC	160539967	PYPSAGOYWMVHDK-NTSWFWBYSA-N	188.227	-0.728	70	20	ABID	
C[C@H](N)C(=O)NC[C@H](C)N1CCCC1	161044812	DNCABURXHQMIDO-IUCAKERBSA-N	199.298	-0.066	70	20	ABID	
CNCC(=O)NC[C@H](C)N1CCCC1	161042909	DGIHDXQWWADAGS-VIFPVBQESA-N	199.298	-0.194	70	20	ABID	
CS(=O)(=O)CCS(=O)(=O)F	238857270	YMIYCRNHZBVOOX-UHFFFAOYSA-N	190.217	-0.670	70	20	ABID	
CC(C)N(CC(N)=O)C(=O)C(F)F	217619972	CWOQAQWBOQMKJK-UHFFFAOYSA-N	194.181	-0.026	70	20	ABID	
CCN(CC)C(=O)[C@H](N)CO	218676857	MTXHMNMTQYXALV-ZCFIWIBFSA-N	160.217	-0.826	70	20	ABID	
CO[C@H](C)C(=O)NCCN(C)C	160502244	VOKJFENZJSNISI-SSDOTTSWSA-N	174.244	-0.301	70	20	ABID	
C[C@@H](CC(N)=O)NCc1ccn(C)n1	160798507	GDYJPPILIJLWJH-ZETCQYMHSA-N	196.254	-0.226	70	20	ABID	
COC(=O)CN1CC[C@H]([C@H](C)N)C1	160597459	ASVTXWOJGPSUGA-YUMQZZPRSA-N	186.255	-0.172	70	20	ABID	
CC(C)C[C@@H](CO)NS(N)(=O)=O	161271816	ROTQRPATMJZVIC-LURJTMIESA-N	196.272	-0.814	70	20	ABID	
O=S(=O)(F)C1(CO)CC1	536952337	XQEWRFNTSRQQQT-UHFFFAOYSA-N	154.162	-0.189	70	20	ABID	
CC[C@H](CO)NC(=O)NCCOC	217307256	IDGVIRVQBJCYSA-SSDOTTSWSA-N	190.243	-0.297	70	20	ABID	
CNC(=O)CN1CC[C@H](CCN)C1	160041015	XSHHSNXNBQVBJZ-QMMMGPOBSA-N	185.271	-0.597	70	20	ABID	
CCCCOC(=O)CNC(=O)CN	218156834	HTVXYMZUSLMIML-UHFFFAOYSA-N	188.227	-0.595	70	20	ABID	
Cc1n[nH]cc1CNC(=O)CN(C)C	218197844	YHGJCZAQZZICLR-UHFFFAOYSA-N	196.254	-0.104	70	20	ABID	
CO[C@H](C)C(=O)NC[C@H](C)CN	160969472	MDJNXOBXYAYYJZ-RNFRBKRXSA-N	174.244	-0.268	70	20	ABID	
N[P@@]1(O)=CC=NC(O)=N1	17110323	GGLLBAYBJJLFCT-VIFPVBQESA-N	147.074	-0.499	70	20	ABID	
CO[C@@H](C)C(=O)N[C@@H](C)C(N)=O	160515422	RJDNGSJWGWWZQS-WHFBIAKZSA-N	174.200	-0.989	70	20	ABID	
COC[C@H](C)CNS(N)(=O)=O	160903036	IGLFOXHRBPHVBO-RXMQYKEDSA-N	182.245	-0.938	70	20	ABID	
CNC(=O)[C@H](C)NC(=O)[C@H](C)OC	160540207	PYPSAGOYWMVHDK-WDSKDSINSA-N	188.227	-0.728	70	20	ABID	
C[C@H](CC(N)=O)N[C@H]1CCOC1	160672713	PPHGKFBFTDYIBV-RQJHMYQMSA-N	172.228	-0.371	70	20	ABID	
COC(=O)CN1CC[C@H]([C@@H](C)N)C1	160597549	ASVTXWOJGPSUGA-SFYZADRCSA-N	186.255	-0.172	70	20	ABID	
COC(=O)[C@H](C)NC(=O)[C@H](C)OC	160548120	SCTLKMCCVSDORH-WDSKDSINSA-N	189.211	-0.301	70	20	ABID	
CC[C@@H](O)CCNS(=O)(=O)NC	160745803	LBHSOOYOCXKPRD-ZCFIWIBFSA-N	196.272	-0.799	70	20	ABID	
CO[C@@H](C)C(=O)N[C@@H](CN)C1CC1	160939826	SHUVYJIQXFSJIC-XPUUQOCRSA-N	186.255	-0.125	70	20	ABID	
CCNC(=O)[C@H](N)C(=O)OCC	159721197	PMOCVOFMDQFICF-YFKPBYRVSA-N	174.200	-0.987	70	20	ABID	
C[C@H](N)C(=O)NC[C@@H](C)N1CCCC1	161044684	DNCABURXHQMIDO-BDAKNGLRSA-N	199.298	-0.066	70	20	ABID	
COC[C@H](C)N(C)C[C@@H](O)CN	218647764	XNXAPYXBXMADAS-YUMQZZPRSA-N	176.260	-0.727	70	20	ABID	
C[C@H](O)C[C@H]1CCCN1CC(N)=O	159366715	IPWWBSSKKSOOSL-JGVFFNPUSA-N	186.255	-0.293	70	20	ABID	
CCNS(=O)(=O)NCCCCN	160167487	NXCLNODSXPTSFL-UHFFFAOYSA-N	195.288	-0.831	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@H]1CCCN1	160928336	KVUKAYNOHHYWQX-JGVFFNPUSA-N	186.255	-0.111	70	20	ABID	
O=S(=O)(F)N1CCCNCC1	2080420420	QNQRSDSLNMSRSH-UHFFFAOYSA-N	182.220	-0.504	70	20	ABID	
CC(C)NS(=O)(=O)NC[C@@H](C)N	160861624	CWEDTYMBXASXGN-ZCFIWIBFSA-N	195.288	-0.834	70	20	ABID	
CCOCCNC(=O)NCCO	217799467	XSFYXOYOCCKZFJ-UHFFFAOYSA-N	176.216	-0.686	70	20	ABID	
O=S(=O)(Cl)[C@H]1COC[C@@H]1O	675050927	BLZBMRHFQNWBFV-IMJSIDKUSA-N	186.616	-0.685	70	20	ABID	
CCOC(=O)[C@H](N)C(=O)NC(C)C	160033520	SCZDZVSRECYNAQ-ZCFIWIBFSA-N	188.227	-0.599	70	20	ABID	
CO[C@@H](C)C(=O)N(C)CCO	160524354	HPCCMYKRWPVAPN-LURJTMIESA-N	161.201	-0.528	70	20	ABID	
CNCCNC(=O)[C@@H](C)OC	160927207	OMNDFPYRIFTMFH-ZCFIWIBFSA-N	160.217	-0.643	70	20	ABID	
CNC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288602	NWDLQIUJKHOZOR-ZETCQYMHSA-N	199.254	-0.075	70	20	ABID	
CO[C@H](C)C(=O)N[C@H](CN)C1CC1	160940224	SHUVYJIQXFSJIC-HTRCEHHLSA-N	186.255	-0.125	70	20	ABID	
CCn1nccc1CNC(CO)CO	160641826	LKJBXPIAYLMYPF-UHFFFAOYSA-N	199.254	-0.654	70	20	ABID	
CO[C@H](C)C(=O)NCCC(N)=O	160787303	CXONCOYGPBVVCA-RXMQYKEDSA-N	174.200	-0.987	70	20	ABID	
CC(C)N(C)CCNS(N)(=O)=O	161024079	SWHYTSJTIVRQCK-UHFFFAOYSA-N	195.288	-0.880	70	20	ABID	
O=S(=O)(Cl)[C@@H]1CCNC1	167514664	XURUBHHLOOYGRY-SCSAIBSYSA-N	169.633	-0.083	70	20	ABID	
C[C@@H](N)C(=O)NC[C@@H](C)N1CCCC1	161053292	DNCABURXHQMIDO-RKDXNWHRSA-N	199.298	-0.066	70	20	ABID	
CNC(=S)NCc1ncn(C)n1	218737260	BUUCKSFEOZIOHN-UHFFFAOYSA-N	185.256	-0.591	70	20	ABID	
NC(=O)C(=O)N1CCSCC1	218678423	PPDGBQJZOZMLAX-UHFFFAOYSA-N	174.225	-0.953	70	20	ABID	
C[C@@]1(NC(=O)c2nnc[nH]2)CCOC1	160216045	XNVHXMOYKMSHCD-MRVPVSSYSA-N	196.210	-0.287	70	20	ABID	
CC[C@@H](C(N)=O)N(CC)CCCO	160725212	CAKFRMJUQZTNIK-QMMMGPOBSA-N	188.271	-0.045	70	20	ABID	
CO[C@H](C)C(=O)NCc1nncn1C	160541749	REKSPCTXLOFVPY-ZCFIWIBFSA-N	198.226	-0.534	70	20	ABID	
CCNS(=O)(=O)NC[C@@H](O)CC	160741219	TZRPACJAPIBCHJ-LURJTMIESA-N	196.272	-0.799	70	20	ABID	
CCn1nccc1CNC[C@@H](O)CO	160242272	UYBMENXLFOOKFG-SECBINFHSA-N	199.254	-0.654	70	20	ABID	
COCCNC(=O)[C@H](C)OC	160494803	JJSBQCRYMDWYBN-LURJTMIESA-N	161.201	-0.216	70	20	ABID	
CCCN(CCO)S(=O)(=O)NC	160668470	LYWRLDIZFVXKKS-UHFFFAOYSA-N	196.272	-0.845	70	20	ABID	
C[C@H](CO)CN(C)C[C@@H](C)O	160958436	HLTYVXKCFDOPNB-JGVFFNPUSA-N	161.245	-0.073	70	20	ABID	
CO[C@@H](C)C(=O)NCc1nnc[nH]1	160564087	LPWFIKYTSQWRGK-YFKPBYRVSA-N	184.199	-0.544	70	20	ABID	
CO[C@H](C)C(=O)NC[C@H]1CCCN1	160928439	KVUKAYNOHHYWQX-HTQZYQBOSA-N	186.255	-0.111	70	20	ABID	
CN(C)C(=O)CN1CC[C@H](CCN)C1	160045252	VVKLTSSRXBYORS-VIFPVBQESA-N	199.298	-0.255	70	20	ABID	
CNCC(=O)NC[C@@H](C)N1CCCC1	161043039	DGIHDXQWWADAGS-SECBINFHSA-N	199.298	-0.194	70	20	ABID	
CC[C@H](CCO)NC[C@H](O)COC	217844077	OWEIMKUGSRSTMH-BDAKNGLRSA-N	191.271	-0.256	70	20	ABID	
CCNC(=O)CN1CC[C@@H]([C@@H](C)N)C1	160599206	IBQFXLSHHWYGMY-RKDXNWHRSA-N	199.298	-0.208	70	20	ABID	
CCNCCNC(=O)[C@@H](C)OC	160927821	QZOOXQDBTXBHHW-SSDOTTSWSA-N	174.244	-0.253	70	20	ABID	
COC[C@H](O)CNC(=O)[C@@H](C)OC	160865976	AKWUNFKZCLJFQB-RNFRBKRXSA-N	191.227	-0.855	70	20	ABID	
CCN(CCO)C(=O)[C@H](C)OC	160525722	TXXYGIUWSWZIQV-ZETCQYMHSA-N	175.228	-0.138	70	20	ABID	
CC[C@@H](CCO)NC[C@@H](O)COC	217843826	OWEIMKUGSRSTMH-DTWKUNHWSA-N	191.271	-0.256	70	20	ABID	
CC[C@@H](CO)NC(=O)c1cn(C)cn1	217848925	OGAMEBRSQWHKNP-ZETCQYMHSA-N	197.238	-0.079	70	20	ABID	
CO[C@H]1COC[C@@H]1S(=O)(=O)F	307360743	GOUJURCUIDJLCN-WHFBIAKZSA-N	184.188	-0.301	70	20	ABID	
CCC[C@H](O)CNC[C@@H](O)COC	217905780	LHPLPAJQFXPVRN-DTWKUNHWSA-N	191.271	-0.256	70	20	ABID	
C[C@H](CO)N(C)C[C@@H]1CCC(=O)N1	218150078	BRNFTGDYCBRIBY-SFYZADRCSA-N	186.255	-0.422	70	20	ABID	
CON(C)C(=O)c1cnnn1C	217070753	INGGUFJPKBZEFG-UHFFFAOYSA-N	170.172	-0.552	70	20	ABID	
CCOC(=O)[C@@H](N)C(=O)N(C)CC	160049461	JNVWFKZBQVOLDP-LURJTMIESA-N	188.227	-0.645	70	20	ABID	
CCCC(=O)NC[C@H](O)C(=O)OC	217724062	KXXCFPMRELCMDI-LURJTMIESA-N	189.211	-0.563	70	20	ABID	
CO[C@H](C)C(=O)NC(C)(C)CN	160929774	LKXMHPGPJWPVHG-ZCFIWIBFSA-N	174.244	-0.125	70	20	ABID	
O=C1C[C@@H](CS(=O)(=O)F)N1	306784265	RUGWIROTJVFEOA-VKHMYHEASA-N	167.161	-0.826	70	20	ABID	
CNCCNS(=O)(=O)NC(C)C	160842893	GQLGLDPHZVVKMS-UHFFFAOYSA-N	195.288	-0.962	70	20	ABID	
CCN(CCNC(=N)N)C1CC1	218001240	MLQFKCOZUOSLOQ-UHFFFAOYSA-N	170.260	-0.046	70	20	ABID	
CCNC(=O)CN1CC[C@H]([C@@H](C)N)C1	160599073	IBQFXLSHHWYGMY-BDAKNGLRSA-N	199.298	-0.208	70	20	ABID	
CO[C@H](C)C(=O)NCCCC(N)=O	160534811	HEFNTLVHTLDKKW-ZCFIWIBFSA-N	188.227	-0.597	70	20	ABID	
COC(=O)CN1CC[C@@H]([C@@H](C)N)C1	160597370	ASVTXWOJGPSUGA-HTQZYQBOSA-N	186.255	-0.172	70	20	ABID	
CCn1nccc1CNC[C@H](O)CO	160242125	UYBMENXLFOOKFG-VIFPVBQESA-N	199.254	-0.654	70	20	ABID	
Cc1cc(Cn2ncn(C)c2=O)no1	160411974	VHJRSSUUEJFRKZ-UHFFFAOYSA-N	194.194	-0.073	70	20	ABID	
CC(C)NC(=O)CNC(=O)C(F)F	218685179	RJKUOWIAPMGQIB-UHFFFAOYSA-N	194.181	-0.108	70	20	ABID	
CCCNC(=O)Cn1ncn(C)c1=O	160441262	GWRWQXUVXMPLMD-UHFFFAOYSA-N	198.226	-0.892	70	20	ABID	
CCCNS(=O)(=O)NC[C@@H](C)O	160658523	SOZWIUGVPPYOAI-ZCFIWIBFSA-N	196.272	-0.799	70	20	ABID	
COCC(=O)NCCn1ccnn1	159651306	MSCABHQPQLXPMA-UHFFFAOYSA-N	184.199	-0.959	70	20	ABID	
CO[C@@H](C)C(=O)N(C)C[C@@H](C)O	160824582	HMIOPEXNEASFKV-RQJHMYQMSA-N	175.228	-0.140	70	20	ABID	
O=S(=O)(O)CCS(=O)(=O)F	1857775691	HUWLLQYDNAOLLN-UHFFFAOYSA-N	192.189	-0.827	70	20	ABID	
C/C=C/C(=O)NCCn1ccnn1	159652958	QDKHFSJUXSFTLK-NSCUHMNNSA-N	180.211	-0.030	70	20	ABID	
COC[C@H](O)CNC(=O)[C@H](C)OC	160865862	AKWUNFKZCLJFQB-NKWVEPMBSA-N	191.227	-0.855	70	20	ABID	
Cn1cc(OC[C@@H]2CNC(=O)O2)cn1	161359141	YGUGJYIVEFYZEW-ZETCQYMHSA-N	197.194	-0.093	70	20	ABID	
CC(C)OCCN1C(=O)CNC1=O	217826637	RCKOCRCKQWSELM-UHFFFAOYSA-N	186.211	-0.037	70	20	ABID	
CO[C@H](C)C(=O)NCCc1ncn[nH]1	160810988	SKZHISOYTUURIT-ZCFIWIBFSA-N	198.226	-0.502	70	20	ABID	
C[C@@H](CC(N)=O)NCc1cnnn1C	160801485	GLLFCBSUNVYVSQ-LURJTMIESA-N	197.242	-0.831	70	20	ABID	
CN(C)C(=O)CNC(=O)C(F)F	218688009	BAWXUADYYQGPRF-UHFFFAOYSA-N	180.154	-0.544	70	20	ABID	
NC(=O)CONC(=O)c1ccccc1	160486808	ZBTBFDWCABBVGB-UHFFFAOYSA-N	194.190	-0.167	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@@H](C)CN	160969595	MDJNXOBXYAYYJZ-BQBZGAKWSA-N	174.244	-0.268	70	20	ABID	
O=C(NCCn1ccnn1)C1CC1	159651429	YTIGFVHVUDKFSC-UHFFFAOYSA-N	180.211	-0.196	70	20	ABID	
C[C@@]1(NC(N)=O)CCOC1	160035527	UZJVCCPYYVOIDC-ZCFIWIBFSA-N	144.174	-0.166	70	20	ABID	
C[C@]1(CS(=O)(=O)F)COC(=O)N1	536955174	OIFIOCNVXXHRFR-RXMQYKEDSA-N	197.187	-0.216	70	20	ABID	
O=S(=O)(Cl)CCCO	100445051	MDDKDAIOQJXMHT-UHFFFAOYSA-N	158.606	-0.063	70	20	ABID	
CNS(=O)(=O)N[C@H](C)CCCN	161067820	UGYCMTKLSLYNIM-ZCFIWIBFSA-N	195.288	-0.832	70	20	ABID	
CN(CCO)CCn1cncn1	217368198	SVIDPNDFBHAXCV-UHFFFAOYSA-N	170.216	-0.798	70	20	ABID	
CCNC(=O)NCc1ncn(C)n1	218731716	CVQBNYKOWQHCTL-UHFFFAOYSA-N	183.215	-0.366	70	20	ABID	
C[C@H](C(N)=O)N1CC[C@H](CCN)C1	160055602	RINPXOQDWGANMF-SFYZADRCSA-N	185.271	-0.469	70	20	ABID	
COCC(=O)NC(C)(C)CCO	160784587	CFXXROXCJIZOQP-UHFFFAOYSA-N	175.228	-0.090	70	20	ABID	
CO[C@@H](C)C(=O)N[C@H](C)C(N)=O	160515562	RJDNGSJWGWWZQS-UHNVWZDZSA-N	174.200	-0.989	70	20	ABID	
CC[C@@H](CCO)NS(=O)(=O)NC	160743854	ICPSOHKGEZMKQP-LURJTMIESA-N	196.272	-0.799	70	20	ABID	
CC(=O)NCCNC(=O)C(F)F	217619675	GBXXQKSFIJWYPH-UHFFFAOYSA-N	180.154	-0.496	70	20	ABID	
CNC(=N)NCc1ncn(C)n1	218721376	ROMLUEXVGYRZFV-UHFFFAOYSA-N	168.204	-0.941	70	20	ABID	
CO[C@@H](C)C(=O)NCCc1ncn[nH]1	160810871	SKZHISOYTUURIT-LURJTMIESA-N	198.226	-0.502	70	20	ABID	
COC(=O)[C@@H](O)CNC(=O)C(C)C	217685161	PVJHKETVQBAQCB-LURJTMIESA-N	189.211	-0.708	70	20	ABID	
COC(=O)Cn1nc(C)n(C)c1=O	218002317	QLTHERXLGXSHFQ-UHFFFAOYSA-N	185.183	-0.937	70	20	ABID	
CNC(=O)N(C)CCC(=O)OC	160336122	JRWKHNZZHJZEDL-UHFFFAOYSA-N	174.200	-0.179	70	20	ABID	
CNS(=O)(=O)N[C@@H](C)CCCN	161067749	UGYCMTKLSLYNIM-LURJTMIESA-N	195.288	-0.832	70	20	ABID	
CCC(=O)NCCn1ccnn1	159652548	WKQMAKVQGWCYJH-UHFFFAOYSA-N	168.200	-0.196	70	20	ABID	
Cn1ncnc1CS(=O)(=O)Cl	114626318	VMHGDAXOSCRNAG-UHFFFAOYSA-N	195.631	-0.116	70	20	ABID	
Cn1cc(OC[C@H]2CNC(=O)O2)cn1	161359274	YGUGJYIVEFYZEW-SSDOTTSWSA-N	197.194	-0.093	70	20	ABID	
O=S(=O)(Cl)[C@H]1CCNC1	167514788	XURUBHHLOOYGRY-BYPYZUCNSA-N	169.633	-0.083	70	20	ABID	
CCC[C@@H](O)CNC[C@@H](O)COC	217905714	LHPLPAJQFXPVRN-RKDXNWHRSA-N	191.271	-0.256	70	20	ABID	
CCC[C@H](O)CNC(=O)[C@H](C)CN	217960972	NRYABPPKSQZNDO-SFYZADRCSA-N	188.271	-0.142	70	20	ABID	
C[C@@H](O)CN(C)C[C@@H](C)CO	160958550	HLTYVXKCFDOPNB-HTQZYQBOSA-N	161.245	-0.073	70	20	ABID	
CCN(C)C(=O)[C@H](C)NC(N)=O	218024447	JSRJJIOEZGBMSV-YFKPBYRVSA-N	173.216	-0.479	70	20	ABID	
CC[C@@H](CCO)NC(=O)c1nnc[nH]1	160137024	JSNJUMBUGLNJIL-LURJTMIESA-N	198.226	-0.305	70	20	ABID	
CO[C@H](C)C(=O)N[C@H](C)C(N)=O	160515300	RJDNGSJWGWWZQS-RFZPGFLSSA-N	174.200	-0.989	70	20	ABID	
CO[C@H](C)C(=O)NC[C@@H](C)CN	160969313	MDJNXOBXYAYYJZ-NKWVEPMBSA-N	174.244	-0.268	70	20	ABID	
O=C1OCC[C@H]1S(=O)(=O)F	238833217	ACWWGUXEKWTJSX-GSVOUGTGSA-N	168.145	-0.399	70	20	ABID	
COCC(=O)N[C@@]1(C)CCOC1	160211675	DXBLKBGLHGRTJM-QMMMGPOBSA-N	173.212	-0.072	70	20	ABID	
CCN(C)C(=O)Cn1ncn(C)c1=O	161346969	QHHWECCJKTZLJX-UHFFFAOYSA-N	198.226	-0.940	70	20	ABID	
CC[C@H](O)CCNS(=O)(=O)NC	160745685	LBHSOOYOCXKPRD-LURJTMIESA-N	196.272	-0.799	70	20	ABID	
Cn1cc(OCCOCCO)cn1	161297190	WFVAJXWNNCKOHD-UHFFFAOYSA-N	186.211	-0.192	70	20	ABID	
Cn1cnn(C[C@H]2CCCO2)c1=O	160409110	NNDGOYFFTYWHEG-SSDOTTSWSA-N	183.211	-0.239	70	20	ABID	
CN1CCCN([C@@H]2CCOC2=O)CC1	217945322	MBLIVBVGBJDXDC-SECBINFHSA-N	198.266	-0.061	70	20	ABID	
Cc1nonc1Cn1ncn(C)c1=O	160408549	FLSORYWAPXJRIQ-UHFFFAOYSA-N	195.182	-0.678	70	20	ABID	
CNC(=O)NCc1ncn(C)n1	218731634	MRIWMCWXPJQWQS-UHFFFAOYSA-N	169.188	-0.756	70	20	ABID	
CC[C@@H](CO)NC(=O)NCCOC	217307255	IDGVIRVQBJCYSA-ZETCQYMHSA-N	190.243	-0.297	70	20	ABID	
CCNS(=O)(=O)N(C)C[C@@H](C)N	161043198	VHCJCHCELDZDAE-ZCFIWIBFSA-N	195.288	-0.880	70	20	ABID	
CC[C@H](CCO)NC(=O)c1c[nH]nn1	160134095	DQUAVXDVDSZZBZ-ZCFIWIBFSA-N	198.226	-0.305	70	20	ABID	
Cn1cncc1Cn1ncn(C)c1=O	160408688	HDVDESTWRFKTEZ-UHFFFAOYSA-N	193.210	-0.636	70	20	ABID	
CNS(=O)(=O)N[C@H](C)C[C@H](C)N	161075775	LEZGDYILNGITPB-NTSWFWBYSA-N	195.288	-0.834	70	20	ABID	
CCCNS(=O)(=O)NC[C@@H](C)N	160860570	TXPQVHUMLKOEGO-ZCFIWIBFSA-N	195.288	-0.832	70	20	ABID	
CO[C@@H](C)C(=O)NCC[C@H](C)O	160632789	HWVGKBXDNDKMQI-BQBZGAKWSA-N	175.228	-0.092	70	20	ABID	
CCN(C)C(=O)CN[C@H](C)[C@@H](C)O	218075722	NJAOHHMQXLBLMD-HTQZYQBOSA-N	188.271	-0.176	70	20	ABID	
COC(=O)CN1CC[C@@H]([C@H](C)O)C1	159393848	RIRLTBQIHDJQJH-JGVFFNPUSA-N	187.239	-0.138	70	20	ABID	
CNC(=O)CN(C)C(=O)[C@H](C)OC	160536947	REQVXNBTVBXGOO-LURJTMIESA-N	188.227	-0.774	70	20	ABID	
Cn1cnc(CNC(=O)NC2CC2)n1	218731911	HYUXCBUBLHCJSQ-UHFFFAOYSA-N	195.226	-0.223	70	20	ABID	
O=S(=O)(Cl)[C@@H]1COC[C@@H]1O	675050928	BLZBMRHFQNWBFV-IUYQGCFVSA-N	186.616	-0.685	70	20	ABID	
CO[C@@H](C)C(=O)NCCC(N)=O	160787153	CXONCOYGPBVVCA-YFKPBYRVSA-N	174.200	-0.987	70	20	ABID	
CN(C)CC(=O)NCc1cc[nH]n1	218028707	YRQPCUIDZDKYQN-UHFFFAOYSA-N	182.227	-0.413	70	20	ABID	
CCNC(=O)COc1cnn(C)c1	161349848	ONEAWHJGORGMAJ-UHFFFAOYSA-N	183.211	-0.065	70	20	ABID	
CC(=O)NCCCNC(N)=O	218423642	NTFGAOAPLJEPKF-UHFFFAOYSA-N	159.189	-0.819	70	20	ABID	
CC[C@H](CCO)NS(=O)(=O)NC	160743992	ICPSOHKGEZMKQP-ZCFIWIBFSA-N	196.272	-0.799	70	20	ABID	
Cc1noc(Cn2ncn(C)c2=O)n1	160410524	LRLHLALUYRZQHL-UHFFFAOYSA-N	195.182	-0.678	70	20	ABID	
CO[C@@H](C)C(=O)NCCCO	160524585	CVOBGPQRKNIZTP-LURJTMIESA-N	161.201	-0.480	70	20	ABID	
CNS(=O)(=O)NC[C@@H](N)C(C)C	160884461	OMOSJJHTUMWOBG-ZCFIWIBFSA-N	195.288	-0.977	70	20	ABID	
CCNC(=O)[C@@H](N)C(=O)OCC	159721324	PMOCVOFMDQFICF-RXMQYKEDSA-N	174.200	-0.987	70	20	ABID	
CO[C@H](C)C(=O)N[C@@H](C)C(N)=O	160515180	RJDNGSJWGWWZQS-CRCLSJGQSA-N	174.200	-0.989	70	20	ABID	
CCCNCCNS(=O)(=O)NC	160844465	PIUDWUSVIYLTSJ-UHFFFAOYSA-N	195.288	-0.960	70	20	ABID	
CO[C@H](C)C(=O)NCCCO	160524711	CVOBGPQRKNIZTP-ZCFIWIBFSA-N	161.201	-0.480	70	20	ABID	
CNC(=O)CN(C)C(=O)[C@@H](C)OC	160537092	REQVXNBTVBXGOO-ZCFIWIBFSA-N	188.227	-0.774	70	20	ABID	
C[C@H](CC(N)=O)N[C@@H]1CCOC1	160672463	PPHGKFBFTDYIBV-RNFRBKRXSA-N	172.228	-0.371	70	20	ABID	
C[C@@H](CC(N)=O)NCc1cnc[nH]1	160799296	LBGCYJYFORMNKA-LURJTMIESA-N	182.227	-0.237	70	20	ABID	
CC[C@@H](CO)NC(=O)[C@@H](C)OC	160524843	WXOFYMAUDXXXJJ-RQJHMYQMSA-N	175.228	-0.092	70	20	ABID	
CNS(=O)(=O)N[C@@H](C)C[C@H](C)N	161075979	LEZGDYILNGITPB-WDSKDSINSA-N	195.288	-0.834	70	20	ABID	
CC[C@@H](CO)NC(=O)[C@H](C)OC	160524972	WXOFYMAUDXXXJJ-BQBZGAKWSA-N	175.228	-0.092	70	20	ABID	
Cn1ncc(CS(=O)(=O)Cl)n1	306302058	MKSBABZZADZQBO-UHFFFAOYSA-N	195.631	-0.116	70	20	ABID	
CCNS(=O)(=O)NC[C@@H](C)CN	160169342	JRWZTYOUUAIXDI-LURJTMIESA-N	195.288	-0.975	70	20	ABID	
C[C@@H](CC(N)=O)NCCN1CCCC1	218618699	XFBRNDCODPIDJJ-VIFPVBQESA-N	199.298	-0.064	70	20	ABID	
C[C@]1(NC(N)=O)CCOC1	160035423	UZJVCCPYYVOIDC-LURJTMIESA-N	144.174	-0.166	70	20	ABID	
CNCCCNC(=O)[C@H](C)OC	160919512	QHQALFWKDFWPNJ-ZETCQYMHSA-N	174.244	-0.253	70	20	ABID	
COCCNC(=O)COCCOC	218019378	MCFQMMNQEGMKAL-UHFFFAOYSA-N	191.227	-0.588	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@@H](N)C1CC1	161011141	OFADCCHEUJNKSW-POYBYMJQSA-N	186.255	-0.125	70	20	ABID	
CO[C@H](C)C(=O)NCC(=O)N(C)C	160512036	UIYVMURHZHXIRP-ZCFIWIBFSA-N	188.227	-0.774	70	20	ABID	
C[C@H](CC(N)=O)NCc1ccn(C)n1	160798624	GDYJPPILIJLWJH-SSDOTTSWSA-N	196.254	-0.226	70	20	ABID	
CC[C@@H]1CN(C[C@H](O)CO)CCO1	160686571	KWOGZMGPJDWFTQ-DTWKUNHWSA-N	189.255	-0.550	70	20	ABID	
CCC[C@@H](O)CNC(=O)[C@@H](C)CN	217960734	NRYABPPKSQZNDO-JGVFFNPUSA-N	188.271	-0.142	70	20	ABID	
CNS(=O)(=O)NC(C)(C)CCN	161088176	AUGQOYOZGSWENL-UHFFFAOYSA-N	195.288	-0.832	70	20	ABID	
C[C@@H](O)C[C@@H]1CCCN1CC(N)=O	159366552	IPWWBSSKKSOOSL-SFYZADRCSA-N	186.255	-0.293	70	20	ABID	
CCOC(=O)CNC(=O)CN(C)C	216768625	NMBQMFLISHEVFT-UHFFFAOYSA-N	188.227	-0.773	70	20	ABID	
CO[C@@H](C)C(=O)NCCCC(N)=O	160534699	HEFNTLVHTLDKKW-LURJTMIESA-N	188.227	-0.597	70	20	ABID	
CC[C@H](C)NC(=O)[C@H](N)CO	218676591	LSILVTDJFFLQIP-NTSWFWBYSA-N	160.217	-0.779	70	20	ABID	
CO[C@H](C)C(=O)NCCn1ccnn1	159652264	MMHDQJYMZSVTBN-SSDOTTSWSA-N	198.226	-0.571	70	20	ABID	
CC[C@H](CCO)NC(=O)c1nnc[nH]1	160137163	JSNJUMBUGLNJIL-ZCFIWIBFSA-N	198.226	-0.305	70	20	ABID	
CCC[C@@H](O)CNC[C@H](O)COC	217905862	LHPLPAJQFXPVRN-BDAKNGLRSA-N	191.271	-0.256	70	20	ABID	
CC[C@@H](CCO)NC(=O)c1c[nH]nn1	160133964	DQUAVXDVDSZZBZ-LURJTMIESA-N	198.226	-0.305	70	20	ABID	
CO[C@H](C)C(=O)N(C)CCO	160524444	HPCCMYKRWPVAPN-ZCFIWIBFSA-N	161.201	-0.528	70	20	ABID	
CC[C@H](COC)NS(N)(=O)=O	161309290	FWKKIFAENDDDQJ-RXMQYKEDSA-N	182.245	-0.796	70	20	ABID	
CCOC(=O)[C@@H](N)C(=O)NC(C)C	160033664	SCZDZVSRECYNAQ-LURJTMIESA-N	188.227	-0.599	70	20	ABID	
COC[C@H](O)CN1CCN[C@H](C)C1	159560462	VANUDYAUBAVYJO-RKDXNWHRSA-N	188.271	-0.713	70	20	ABID	
C[C@@H](CC(N)=O)N[C@@H]1CCOC1	160672334	PPHGKFBFTDYIBV-NKWVEPMBSA-N	172.228	-0.371	70	20	ABID	
CC[C@@H](COC)NS(N)(=O)=O	161309147	FWKKIFAENDDDQJ-YFKPBYRVSA-N	182.245	-0.796	70	20	ABID	
CCN(CCO)C(=O)[C@@H](C)OC	160525607	TXXYGIUWSWZIQV-SSDOTTSWSA-N	175.228	-0.138	70	20	ABID	
CO[C@H](C)C(=O)NCC(C)(C)O	160794933	DOSWWIOGUQHZKQ-ZCFIWIBFSA-N	175.228	-0.092	70	20	ABID	
COCCNC(=O)NCCCO	217307251	PEYHKSHLIPQJOJ-UHFFFAOYSA-N	176.216	-0.686	70	20	ABID	
CNC(=O)CNC(=O)C(F)F	217864540	GTHYDOKHAILTEN-UHFFFAOYSA-N	166.127	-0.886	70	20	ABID	
CCOC(=O)[C@@H](N)C(=O)NC1CC1	160035223	LUNIQAOGNAQMTG-LURJTMIESA-N	186.211	-0.845	70	20	ABID	
CCN(CCCO)C[C@H](O)CO	160376161	JKCVKHQEQOPWHC-QMMMGPOBSA-N	177.244	-0.956	70	20	ABID	
NC1=NC(=O)[C@@]2(CN3CCC2CC3)O1	160717666	YQCRJOCISRXINE-VIFPVBQESA-N	195.222	-0.678	70	20	ABID	
Cc1cn(CCS(=O)(=O)F)nn1	883953851	NFEASWHUTZKRKX-UHFFFAOYSA-N	193.203	-0.114	70	20	ABID	
CCC[C@@H](O)CNC(=O)[C@H](C)NC	217962720	OBEUYQHGCMGWLH-JGVFFNPUSA-N	188.271	-0.129	70	20	ABID	
CCN(CC)CC(=O)Nn1cnnc1	217539456	RWFKGAQWEMXBTP-UHFFFAOYSA-N	197.242	-0.310	70	20	ABID	
CN(C)CCNC(=O)C(F)F	217616370	PSGMNGZEKSHSNI-UHFFFAOYSA-N	166.171	-0.071	70	20	ABID	
CN(C)C(=O)CN1CC[C@@H](CCN)C1	160045388	VVKLTSSRXBYORS-SECBINFHSA-N	199.298	-0.255	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@@H](C)CO	160866538	PNDIKMPFMOERGN-RQJHMYQMSA-N	175.228	-0.234	70	20	ABID	
CC[C@H](O)CN1CCO[C@H](CN)C1	159513136	LSLYORKTKKBWLO-DTWKUNHWSA-N	188.271	-0.583	70	20	ABID	
COC[C@@H](C)CNS(N)(=O)=O	160902908	IGLFOXHRBPHVBO-YFKPBYRVSA-N	182.245	-0.938	70	20	ABID	
O=C1C[C@H](CS(=O)(=O)F)N1	306784264	RUGWIROTJVFEOA-GSVOUGTGSA-N	167.161	-0.826	70	20	ABID	
CCNC(=S)NCc1ncn(C)n1	218737352	QCRHSHZGGBPDOD-UHFFFAOYSA-N	199.283	-0.201	70	20	ABID	
CC(=O)NCCS(=O)(=O)C(C)C	218642243	CIRLDQFXZRHGDN-UHFFFAOYSA-N	193.268	-0.054	70	20	ABID	
CCCNC(=N)NCc1ncn(C)n1	218733874	CBMLOVQNCPITIG-UHFFFAOYSA-N	196.258	-0.161	70	20	ABID	
COC(=O)CCNC(=O)[C@@H](C)OC	160509287	MEKHWVKHZBGDNO-ZCFIWIBFSA-N	189.211	-0.299	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@H](N)C1CC1	161010863	OFADCCHEUJNKSW-XPUUQOCRSA-N	186.255	-0.125	70	20	ABID	
CNS(=O)(=O)N[C@@H](C)CCCO	160720492	SMYBBEQZGQPULD-LURJTMIESA-N	196.272	-0.799	70	20	ABID	
CO[C@H](C)C(=O)N(C)C[C@H](C)O	160824205	HMIOPEXNEASFKV-NKWVEPMBSA-N	175.228	-0.140	70	20	ABID	
NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263697208	PWCCIQSWSOAPMR-UHFFFAOYSA-N	192.171	-0.228	70	20	ABID	
CCCNS(=O)(=O)N(C)CCO	160663901	FOGLKMWPCZSIKU-UHFFFAOYSA-N	196.272	-0.845	70	20	ABID	
C[C@@H](CC(N)=O)NCc1cncn1C	160805343	DUEDTOVUBDEFHZ-ZETCQYMHSA-N	196.254	-0.226	70	20	ABID	
O=S(=O)(F)N1CCC(O)CC1	2049398933	SHQCJZRCOOGFDX-UHFFFAOYSA-N	183.204	-0.343	70	20	ABID	
CC[C@H](C(N)=O)N1CC[C@H](CCN)C1	160071126	AFOFIIQBKCZATC-DTWKUNHWSA-N	199.298	-0.079	70	20	ABID	
CCOCCN1C(=O)CNC1=O	217834766	WTVGZAMOROPHAQ-UHFFFAOYSA-N	172.184	-0.425	70	20	ABID	
CO[C@H](C)C(=O)NCCOCCO	160527317	JHRLLRGHPGMEMK-SSDOTTSWSA-N	191.227	-0.854	70	20	ABID	
Cn1cc(CS(=O)(=O)Cl)nn1	221428550	USMDNWUBOLQIKO-UHFFFAOYSA-N	195.631	-0.116	70	20	ABID	
CO[C@H]1COC[C@H]1S(=O)(=O)F	306861804	GOUJURCUIDJLCN-CRCLSJGQSA-N	184.188	-0.301	70	20	ABID	
CO[C@H](C)C(=O)NCc1nnc[nH]1	160564211	LPWFIKYTSQWRGK-RXMQYKEDSA-N	184.199	-0.544	70	20	ABID	
CC(=O)NCCn1ccnn1	159651574	IHPMBJNJVBEXSU-UHFFFAOYSA-N	154.173	-0.586	70	20	ABID	
C/C=C\C(=O)NC[C@@H](O)COC	217131719	ORSFLXAYHCEEEZ-KFOINNEUSA-N	173.212	-0.314	70	20	ABID	
CC[C@@H](CCO)NC(=O)CN(C)C	160513195	YNYSAEGFPPFQPU-QMMMGPOBSA-N	188.271	-0.175	70	20	ABID	
CC[C@H]1CN(C[C@H](O)CO)CCO1	160686700	KWOGZMGPJDWFTQ-IUCAKERBSA-N	189.255	-0.550	70	20	ABID	
CCN(C)C(=O)CN[C@H](C)[C@H](C)O	218075885	NJAOHHMQXLBLMD-SFYZADRCSA-N	188.271	-0.176	70	20	ABID	
CC(C)C[C@H](CO)NS(N)(=O)=O	161271938	ROTQRPATMJZVIC-ZCFIWIBFSA-N	196.272	-0.814	70	20	ABID	
CCOC(=O)[C@H](N)C(=O)N(C)CC	160049587	JNVWFKZBQVOLDP-ZCFIWIBFSA-N	188.227	-0.645	70	20	ABID	
CNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288604	NWDLQIUJKHOZOR-SSDOTTSWSA-N	199.254	-0.075	70	20	ABID	
CNC(=N)NCCCOCCOC	217999423	GPZYODFMKGOFET-UHFFFAOYSA-N	189.259	-0.217	70	20	ABID	
CNCCNC(=O)[C@H](C)OC	160927082	OMNDFPYRIFTMFH-LURJTMIESA-N	160.217	-0.643	70	20	ABID	
CO[C@@H](C)C(=O)NC[C@H](C)CO	160866398	PNDIKMPFMOERGN-BQBZGAKWSA-N	175.228	-0.234	70	20	ABID	
O=C1C[C@H](CS(=O)(=O)Cl)CN1	211316021	CDWWJNQWSJPLFI-BYPYZUCNSA-N	197.643	-0.309	70	20	ABID	
C[C@H](CC(N)=O)NCc1cncn1C	160805431	DUEDTOVUBDEFHZ-SSDOTTSWSA-N	196.254	-0.226	70	20	ABID	
CNC(=O)NCCCNC(C)=O	218424585	DJCQAHHEWUQLOK-UHFFFAOYSA-N	173.216	-0.558	70	20	ABID	
CCNS(=O)(=O)NC[C@H](C)CN	160169481	JRWZTYOUUAIXDI-ZCFIWIBFSA-N	195.288	-0.975	70	20	ABID	
O=S(=O)(Cl)[C@H]1COC[C@H]1O	675050926	BLZBMRHFQNWBFV-DMTCNVIQSA-N	186.616	-0.685	70	20	ABID	
CO[C@@H](C)C(=O)NCC1(CO)CC1	160862501	IGXLOLRVLQQSAI-ZETCQYMHSA-N	187.239	-0.090	70	20	ABID	
CNS(=O)(=O)NC[C@H](N)C(C)C	160884593	OMOSJJHTUMWOBG-LURJTMIESA-N	195.288	-0.977	70	20	ABID	
C[C@@H](CC(N)=O)NCCCO	218509437	FCTKHTLMDSESMV-LURJTMIESA-N	160.217	-0.778	70	20	ABID	
CO[C@@H](C)C(=O)NC(C)(C)CN	160929643	LKXMHPGPJWPVHG-LURJTMIESA-N	174.244	-0.125	70	20	ABID