smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#CC(C#N)=CNCC1CCCC1	306400342	NHFVSEGOSRKFDP-UHFFFAOYSA-N	175.235	1.697	50	20	ADGD	
ClCCCc1cnns1	307257075	AXKPXXSOKUFFLP-UHFFFAOYSA-N	162.645	1.710	50	20	ADGD	
CCOC(=O)NN=C1CCC1(C)C	379404396	RKSUEYVPTWUARG-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
CC[C@H]1CCC[C@H](C=NNC(N)=O)C1	394614719	KHGYEDQQSNDSDB-IUCAKERBSA-N	197.282	1.857	50	20	ADGD	
CC[C@@H]1[C@@H](Cl)[C@H]1C(=O)O	536953536	ISMAHACOZMEGFP-VAYJURFESA-N	148.589	1.334	50	20	ADGD	
O=C(CCl)N[C@@]12CCC[C@@H]1C2	575534794	YSDZNZRXEIYVFU-HTRCEHHLSA-N	173.643	1.284	50	20	ADGD	
C=CCCC(CC)=NNC(=O)N(C)C	750936759	XVYZDEZWSOPYJM-UHFFFAOYSA-N	197.282	1.990	50	20	ADGD	
Cc1csc(NC=C(C#N)C#N)n1	39626080	AJXZDKPHNCCJJF-UHFFFAOYSA-N	190.231	1.794	50	20	ADGD	
Cc1ccoc1/C=C(/C#N)C(=O)O	135278333	IEKIRLQPEIYRHW-DAXSKMNVSA-N	177.159	1.580	50	20	ADGD	
CC(=NNC(N)=O)c1ccc(C)s1	252447552	MCCDJRRKRMRBJX-UHFFFAOYSA-N	197.263	1.449	50	20	ADGD	
CCC(CC)CNC=C(C#N)C#N	308239024	RZMIJTUYTCRUKW-UHFFFAOYSA-N	177.251	1.943	50	20	ADGD	
CC(C)CCC=NNC(=O)C1CC1	378863738	WDJLLLCTJBVHNU-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(C)CC(=O)NN=C[C@@H]1CCOC1	812433906	VSADFGHXFWZOTE-VIFPVBQESA-N	198.266	1.171	50	20	ADGD	
CC(=O)NN=Cc1ccoc1C	841605320	ZMIXMANTNRMUNU-UHFFFAOYSA-N	166.180	1.058	50	20	ADGD	
CCOCCCCNC=C(C#N)C#N	917603879	YDPVVYKXPDMYOZ-UHFFFAOYSA-N	193.250	1.324	50	20	ADGD	
COc1nccc(CCl)c1F	95761915	BBBUQYMLJMSDOK-UHFFFAOYSA-N	175.590	1.968	50	20	ADGD	
COC(=O)NN=C1CCC(C)(C)C1	308505625	ZAKXCYHCYYUUSB-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
O=C(O)NN=C1CC2(CCC2)C1	832745583	ZLWQYPMGGSYMAH-UHFFFAOYSA-N	168.196	1.574	50	20	ADGD	
C/C(C#N)=C\CS[C@H](C)C(=O)O	1603129275	CUUSPQCFFLIPLC-XUTFHDRNSA-N	185.248	1.663	50	20	ADGD	
CC[C@H](C(=O)O)N1CC=C(C#N)CC1	1609889645	JVRUQZOGWYIPTO-SECBINFHSA-N	194.234	1.005	50	20	ADGD	
NC(=O)NN=C1CCC[C@@H]1CCF	308199658	WTSUGSDYAORQAH-ZCFIWIBFSA-N	187.218	1.170	50	20	ADGD	
COC(=O)N(C)N=Cc1cscn1	308502004	XIOZFNKURFVNLY-UHFFFAOYSA-N	199.235	1.175	50	20	ADGD	
CCC(=O)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	762419871	WSVNDUCCRYBUFL-GUBZILKMSA-N	194.278	1.935	50	20	ADGD	
CC[C@H]1CCCCC1=NNC(=O)NC	779769889	CCQORQKOHCTLTE-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
CCC(=O)NN=C1CCC[C@@H](C#N)C1	814708931	WMEPGPIMEFDQSG-MRVPVSSYSA-N	193.250	1.582	50	20	ADGD	
CC[C@@H](CN1CC=C(C#N)CC1)OC	842153099	KDVQJJWUMXIZLA-NSHDSACASA-N	194.278	1.567	50	20	ADGD	
CC(=NNC(=O)C(C)C)c1ccco1	916327167	BTDXIPNQYOBZMI-UHFFFAOYSA-N	194.234	1.776	50	20	ADGD	
O=C(CCl)NCCC1CCC1	135284487	WXXLFVGNGSJWON-UHFFFAOYSA-N	175.659	1.532	50	20	ADGD	
CC(=NNC(N)=O)c1ccccc1C	252447650	NGSSBKSVOYGBDZ-UHFFFAOYSA-N	191.234	1.387	50	20	ADGD	
C[C@@H]1C[C@@H]1C(=O)NCC(Cl)Cl	307183060	OVLXJHBJVLAHKN-UHNVWZDZSA-N	196.077	1.562	50	20	ADGD	
C=CCCCCC(C)=NNC(N)=O	383481612	YPTKOLIAKIIERN-UHFFFAOYSA-N	183.255	1.777	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)C(C)(C)O	807983739	WFYCCVSOTGDVLH-SSDOTTSWSA-N	198.266	1.050	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H]1CCF	388617765	DJRWLLBFFZPJJR-MRVPVSSYSA-N	186.230	1.638	50	20	ADGD	
CC1(C)C(=NNC(=O)O)[C@H]2CCO[C@@H]21	736726980	BKUQCBFFAJZVON-VDTYLAMSSA-N	198.222	1.055	50	20	ADGD	
ClCc1nc(-c2ccncn2)n[nH]1	86560555	HQIJBCRIQKZRJX-UHFFFAOYSA-N	195.613	1.001	50	20	ADGD	
CCC(=O)NN=Cc1ccco1	307960304	VYCQHRZKCWOMGA-UHFFFAOYSA-N	166.180	1.140	50	20	ADGD	
CNC(=O)NN=CC1CCCCCC1	741839917	XSNNTAIUFNZILB-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CCC(=O)NNC(=O)CC1CCCC1	913429662	RAMGGVBFXBRVSI-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
CO[C@@H](C)C(C)=NNC(=O)C1CCC1	763176494	QXZQUQZGDJGLQF-QMMMGPOBSA-N	198.266	1.314	50	20	ADGD	
O=C(CCl)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	300358265	DVSILXRGHUWKAP-BZQIZSTOSA-N	199.681	1.386	50	20	ADGD	
CC[C@@H]1C[C@H](C)CN1C(=O)CCl	306292118	USVKHCSLAZFJFG-JGVFFNPUSA-N	189.686	1.872	50	20	ADGD	
Cc1cc(C=NN(C)C(N)=O)c(C)o1	767909120	GYJKDAXJUKYCPM-UHFFFAOYSA-N	195.222	1.241	50	20	ADGD	
CNC(=O)NNc1c(C)cccc1F	771292042	OHDPRBZIEBYWAO-UHFFFAOYSA-N	197.213	1.390	50	20	ADGD	
COCCCCN1CC=C(C#N)CC1	779591210	YVEFNVFBMWAOET-UHFFFAOYSA-N	194.278	1.569	50	20	ADGD	
Cc1cc(C)c(C=NNC(=O)O)[nH]1	829986004	IJQRWYJCOHXMKM-UHFFFAOYSA-N	181.195	1.233	50	20	ADGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NN)C1	841914338	CDQYBLINDLFYBN-XHNCKOQMSA-N	199.298	1.374	50	20	ADGD	
CCC[C@@H]1CCC[C@H]1C(=O)NN	852874367	OQTSOPHZIMNSPW-HTQZYQBOSA-N	170.256	1.193	50	20	ADGD	
CC(C)(C)C=NNC(=O)NCC1CC1	755668233	KSAXJHONDKOASV-UHFFFAOYSA-N	197.282	1.728	50	20	ADGD	
CNC(=O)NN=C1CCCCC1(C)C	757574652	HTBXYRPJAVRGCE-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
COC(=O)N(C)N=C[C@@H](C)CCC#N	794959546	JGNJSFZXDVRUBV-QMMMGPOBSA-N	197.238	1.610	50	20	ADGD	
CCC(=NN(C)C(N)=O)[C@@H]1C[C@H]1C	841631274	GPJXVBJFBXPYAA-RNFRBKRXSA-N	183.255	1.419	50	20	ADGD	
Cc1ccc(C=NNC(N)=O)s1	252447531	LSAILFGNHWUFOV-UHFFFAOYSA-N	183.236	1.059	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1CC(C)C1	306433110	VUWGYXWYQVYILH-MQWKRIRWSA-N	182.267	1.935	50	20	ADGD	
CCc1cnc(C=NNC(C)=O)s1	393468215	CTEZQGLFKTWERO-UHFFFAOYSA-N	197.263	1.176	50	20	ADGD	
C/C=C(/C)C(=O)NNC(=O)C(C)(C)C	751352221	PGFBLWIGETXXSC-SREVYHEPSA-N	198.266	1.146	50	20	ADGD	
CCCC(=O)NN[C@@H](C)C(F)(F)F	862303242	NDLZXHYRRXVLOL-YFKPBYRVSA-N	198.188	1.358	50	20	ADGD	
C[C@@H](CBr)CCO	34345397	XJENZFJXAHFAQI-RXMQYKEDSA-N	167.046	1.400	50	20	ADGD	
Cc1nn2cc[nH]c2c1CCl	409436934	AIVCSWLZDZZJMZ-UHFFFAOYSA-N	169.615	1.710	50	20	ADGD	
COCCOC[C@@H](C)CCl	70066791	VKDQSDOZPKPWPE-ZETCQYMHSA-N	166.648	1.524	50	20	ADGD	
Nc1cnccc1CBr	98179500	KHBAOZABFTXOGS-UHFFFAOYSA-N	187.040	1.559	50	20	ADGD	
CNC(=O)/C(C#N)=C\c1ccccc1	220813372	NSYFWCIFXIOERH-YFHOEESVSA-N	186.214	1.340	50	20	ADGD	
C[C@H]1CCC[C@H](CC(=O)NN)C1	306958611	VZCAYXRISVRJQQ-YUMQZZPRSA-N	170.256	1.193	50	20	ADGD	
CC1CC(=NNC(=O)C(C)(C)C)C1	307704583	WZJCSIZCQKPTOD-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
C=COCCCNC=C(C#N)C#N	393717819	ZTJDAGJQPVFSGB-UHFFFAOYSA-N	177.207	1.057	50	20	ADGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)CC	730941493	NJSJRTIFUGBVOH-XZZQCUQZSA-N	196.250	1.345	50	20	ADGD	
C[C@@H]1CCC[C@@H](C=NN(C)C(N)=O)C1	768367020	LFXBJIMLFSJHBI-RKDXNWHRSA-N	197.282	1.809	50	20	ADGD	
CCC(=O)NN=C(C)c1cnoc1C	799467114	CRHGMYWALBYYFR-UHFFFAOYSA-N	195.222	1.233	50	20	ADGD	
OC[C@H](Cl)c1ccccc1	96334185	WTGUAUVAXDZHJX-QMMMGPOBSA-N	156.612	1.959	50	20	ADGD	
CC(=O)NNc1ccncc1Cl	306511598	NNDMIDOUTQCPNI-UHFFFAOYSA-N	185.614	1.198	50	20	ADGD	
C=CCCC(C)=NNC(=O)NCC	308464237	INQVZKCMRCNIOX-UHFFFAOYSA-N	183.255	1.648	50	20	ADGD	
CCC(=O)NN=Cc1cnc(C)s1	379419001	XCMUFMLMOZEDNN-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CC(C)[C@@H](C)C(=O)NN(C)C1CC1	819648133	XNQPWZVENKAKFO-MRVPVSSYSA-N	184.283	1.404	50	20	ADGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NN)C1	841914332	CDQYBLINDLFYBN-CIUDSAMLSA-N	199.298	1.374	50	20	ADGD	
CC1(C)CCC[C@H](CNC(=O)NN)C1	841914994	KQWCFQMUGOPTAW-QMMMGPOBSA-N	199.298	1.376	50	20	ADGD	
C[C@H]1CCCCCC1=NN(C)C(N)=O	844587675	DQNXUDCCAUGFLS-QMMMGPOBSA-N	197.282	1.953	50	20	ADGD	
CC[C@@H]1CCC[C@H](NC(=O)NN)C1	82847394	IKUHWWCDJLULOK-SFYZADRCSA-N	185.271	1.128	50	20	ADGD	
CCCC[C@H](CC)CNC(=O)NN	300340206	WLCQCCGLCUTGBX-QMMMGPOBSA-N	187.287	1.376	50	20	ADGD	
O=C(NN=CC1CC1)C1CCCC1	308427782	YENUYBJCJFXERF-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CC(C)C(=O)NN=CC[C@@H]1CCOC1	765563627	PCHRIFQMJWCRNL-SECBINFHSA-N	198.266	1.171	50	20	ADGD	
N#CC1=CCN(CC2(C#N)CC2)CC1	779590349	OOWUNJIDJFCGBK-UHFFFAOYSA-N	187.246	1.446	50	20	ADGD	
C[C@@H]1CC[C@@H](C=NNC(=O)N(C)C)C1	800811258	NOWXFGWQYRBGDU-RKDXNWHRSA-N	197.282	1.680	50	20	ADGD	
COC(=O)NN=C[C@H](C#N)C(C)C	308500331	WJOROQQSVGMJFD-ZETCQYMHSA-N	183.211	1.124	50	20	ADGD	
COC(=O)NN=CC1CCCC1	379336523	QVTAPYLYKADFBQ-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
N#C[C@H]1CC[C@H](N=C=O)CC1	1898199495	KHGGXJJGLYYWKG-ZKCHVHJHSA-N	150.181	1.405	50	20	ADGD	
CC(=NNC(N)=O)c1ccccc1F	252446770	ASSMENSMDFJADK-UHFFFAOYSA-N	195.197	1.218	50	20	ADGD	
CC(=O)NN=C1CC2(CCC2)C1	307137569	XKOICTGRBKPROP-UHFFFAOYSA-N	166.224	1.443	50	20	ADGD	
N#Cc1cc2n(CCCl)ccn2n1	409439977	UUFMLCOROAQONQ-UHFFFAOYSA-N	194.625	1.246	50	20	ADGD	
Cc1cnccc1CNC=C(C#N)C#N	777402786	PEWLNNPAWKHELB-UHFFFAOYSA-N	198.229	1.411	50	20	ADGD	
COC(=O)N(C)N=C1C[C@H]2CC[C@H]1C2	814926080	JCYOZJYHLBYRCJ-YUMQZZPRSA-N	196.250	1.861	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)c1cn[nH]c1	863155137	YRDNHRANWYMJOB-SSDOTTSWSA-N	194.238	1.171	50	20	ADGD	
C[C@H]1C[C@@H]1C(=O)NCC(Cl)Cl	307183061	OVLXJHBJVLAHKN-WHFBIAKZSA-N	196.077	1.562	50	20	ADGD	
CCC(=O)NN=Cc1ccsc1C	382409810	UAHAQXPJWPXFQV-UHFFFAOYSA-N	196.275	1.917	50	20	ADGD	
C[C@H]1C[C@H]1C(=O)N1CC=C(C#N)CC1	767159449	DAUJBNOXCVHZHS-WCBMZHEXSA-N	190.246	1.325	50	20	ADGD	
CCC(=O)NN=Cc1cc(C)oc1C	767893979	VHMPFNWCQPXZGF-UHFFFAOYSA-N	194.234	1.757	50	20	ADGD	
O=C(CC1CC1)NNc1ccccn1	777472474	LTKQMGUHYDOLCC-UHFFFAOYSA-N	191.234	1.325	50	20	ADGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NN)C1	841789775	QUEQTDMEZFUREW-RKDXNWHRSA-N	199.298	1.374	50	20	ADGD	
CCOC(=O)NN=Cc1cnsc1	872326199	CZWGAOXWOQPIQJ-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
C[C@H]1CC[C@H](CNC=C(C#N)C#N)O1	840731319	YTPHEDNTOMYMIQ-WCBMZHEXSA-N	191.234	1.075	50	20	ADGD	
BrCCc1cncnc1	60712453	IGCUKRRFJRMPBO-UHFFFAOYSA-N	187.040	1.414	50	20	ADGD	
O=C(CC(F)(F)F)NN=CC1CC1	308401665	IVBUQTDQANUTSI-UHFFFAOYSA-N	194.156	1.451	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@@H]2C[C@H]12	841621195	VWCSXUVYDYOUOO-SFYZADRCSA-N	195.266	1.482	50	20	ADGD	
CC(C)=C(C)CC(=O)N(C)N	1573491268	HJGBKSSUXIQGNP-UHFFFAOYSA-N	156.229	1.065	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)C1CC1	379417256	UGIAQIFCEIEIGX-ZETCQYMHSA-N	180.251	1.689	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CC(CF)C1	409431620	SSPSZQPCNGZQEE-RXMQYKEDSA-N	179.622	1.042	50	20	ADGD	
COC(=O)NN=Cc1ccccc1C	714394638	MLGNYZYUCDOIQR-UHFFFAOYSA-N	192.218	1.685	50	20	ADGD	
Cc1ccc(CCl)c(N)n1	95763993	VARPMYOYLZWBTI-UHFFFAOYSA-N	156.616	1.711	50	20	ADGD	
CC[C@H](C)C=NNC(=O)c1ccc[nH]1	755608186	HMBPCOKPDHDLKS-QMMMGPOBSA-N	193.250	1.776	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)C1CCCC1	758373546	YOUSCZUMZDRSPS-WPRPVWTQSA-N	194.278	1.935	50	20	ADGD	
C#CCC(C)(C)C(=O)NN(C)C1CC1	819650199	VUGNVCMVNHLMRQ-UHFFFAOYSA-N	194.278	1.161	50	20	ADGD	
N#C/C=C1/CCCOC1	70018084	LHFOEMFTZABOKR-CLTKARDFSA-N	123.155	1.247	50	20	ADGD	
CCn1cncc1/C=C/C=O	86208047	ZQHZZDTVMSLMRY-ONEGZZNKSA-N	150.181	1.115	50	20	ADGD	
CC(=NNC(=O)N(C)C)C(F)(F)F	308360817	MEFQAWGAGCGNIT-UHFFFAOYSA-N	197.160	1.196	50	20	ADGD	
CSSCCNC=C(C#N)C#N	379339110	XFDKGLWFWWWLAP-UHFFFAOYSA-N	199.304	1.518	50	20	ADGD	
CCC(=O)NN=Cc1ncc(C)s1	834920596	MTGMUVYSPFRIFL-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
OCc1cccc(CCCl)c1	95933237	LCEVGGUGULLZEV-UHFFFAOYSA-N	170.639	1.960	50	20	ADGD	
CC(C)(C)O[C@H]1CC(=O)[C@H]1Cl	96034603	IKYZTHDJRYGEJQ-NKWVEPMBSA-N	176.643	1.750	50	20	ADGD	in-vitro
O=[S@](Cl)C(Cl)Cl	141882437	NEIDSGYCIHZSSN-ZCFIWIBFSA-N	167.444	1.650	50	20	ADGD	
CCN(C[C@H](C)OC)C(=O)CCl	383320179	JKMDLLYJFUDNMW-ZETCQYMHSA-N	193.674	1.109	50	20	ADGD	
CCCC=NNC(=O)CC1CC1	393560174	NXMRUINMERKFFZ-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
C[C@H]1OCCC1=NNC(=O)CC1CC1	814988466	IFEHEEMOPBQYOJ-SSDOTTSWSA-N	196.250	1.068	50	20	ADGD	
O=C(CCCF)NNc1ccccn1	831749637	CUIJLNONRPWOJC-UHFFFAOYSA-N	197.213	1.274	50	20	ADGD	
CNC(=O)NN=C1C[C@H](C)CC[C@@H]1C	834944276	NHGRXGBIVCLBPD-SFYZADRCSA-N	197.282	1.728	50	20	ADGD	
O=[N+]([O-])c1cc2n(c1)C=CN[C@@H]2Cl	40448712	DQHMLPTYBMROHV-ZETCQYMHSA-N	199.597	1.665	50	20	ADGD	
OB(O)/C=C\C1CCCCC1	195800265	FBRJOMMIILHLCG-SREVYHEPSA-N	154.018	1.135	50	20	ADGD	
CC(=O)NN=C1CC[C@@H](C)[C@H](C)C1	308143727	AIDKPMVFTZGZPK-HTQZYQBOSA-N	182.267	1.935	50	20	ADGD	
C[C@H]1CC[C@H](C=NNC(N)=O)C1	379316115	WXOWEPSEVYBZDH-BQBZGAKWSA-N	169.228	1.077	50	20	ADGD	
CCC(C)(C)CC(=O)NN(C)C1CC1	819648783	RVLDEHZITSDJEE-UHFFFAOYSA-N	198.310	1.938	50	20	ADGD	
O=C(O)NN=CCc1ccc(F)cc1	832745451	WSVPLQVHLLTMOK-UHFFFAOYSA-N	196.181	1.622	50	20	ADGD	
CC[C@H]1CCCCC1=NNC(N)=O	252464077	CJSGDEAKZZMHEP-ZETCQYMHSA-N	183.255	1.611	50	20	ADGD	
CC(=NN(C)C(N)=O)c1ccsc1	308444023	AMFJQQKCIQOART-UHFFFAOYSA-N	197.263	1.483	50	20	ADGD	
CC(C)C(=O)NN=C1CCC[C@@H]1F	872333586	SNGCKYUEWHJAOC-ZETCQYMHSA-N	186.230	1.637	50	20	ADGD	
N#CCCCN1CC=C(C#N)CC1	307549783	ODLGIBWJQDEGLW-UHFFFAOYSA-N	175.235	1.446	50	20	ADGD	
CC(C)C(=O)NN=C1CCC[C@@H]1C	308135434	DXYKNGLKRWCXBC-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
O=C(CCl)N1CC[C@H](C(F)F)C1	409430395	QOAFLDHTYJTSLW-YFKPBYRVSA-N	197.612	1.339	50	20	ADGD	
CC[C@H](C(=O)NN)c1ccc(F)cc1	825645026	NBZNCOJGRUUNCT-VIFPVBQESA-N	196.225	1.309	50	20	ADGD	
Cc1ccoc1C=NNC(=O)O	830616843	SZRCGVHBBKFSSG-UHFFFAOYSA-N	168.152	1.190	50	20	ADGD	
C[C@@H]1CCN(C(=O)CCl)C1	40724246	OUZTXCYFPLVBMN-ZCFIWIBFSA-N	161.632	1.094	50	20	ADGD	
CC(C)C=NNC(=O)C(C)(C)C	307959509	JFGZYGIRZYGKLQ-UHFFFAOYSA-N	170.256	1.791	50	20	ADGD	
N#C/C=C/Cn1ccnc1C1CC1	863386085	MOBYRVDLBAHZTC-OWOJBTEDSA-N	173.219	1.840	50	20	ADGD	
Cc1cnn(C[C@@H](CN)CCl)c1	1898204089	JSHLTLGGHHBBEL-MRVPVSSYSA-N	187.674	1.005	50	20	ADGD	
NC(=O)NN=CC1CCCCC1	252448455	WUAXVDNYEQYERZ-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
C=C(Cl)CNC=C(C#N)C#N	307287907	WEDSBALNLOFZRE-UHFFFAOYSA-N	167.599	1.260	50	20	ADGD	
CNC(=O)/C(C#N)=C\c1ccsc1	308288550	CAXKYJQWMPGEDQ-YWEYNIOJSA-N	192.243	1.401	50	20	ADGD	
CC(CC1CC1)=NNC(=O)C(F)F	308327816	HVXLSWIBBNDLFR-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
C[C@@H]1C[C@@H]1C=NNC(=O)CC1CC1	382164406	UMUJKMQVZDCGSV-VXNVDRBHSA-N	180.251	1.545	50	20	ADGD	
CC[C@H]1CC[C@H](C)CC1=NNC(N)=O	389070259	BYBJOIRZCMPQBG-YUMQZZPRSA-N	197.282	1.857	50	20	ADGD	
CCO/C=C(\C#N)C(=O)NCC(C)C	746510713	JIXCHJOTVWJMKS-VQHVLOKHSA-N	196.250	1.203	50	20	ADGD	
C=CC[C@@H](C)C(C)=NNC(N)=O	307960036	JWUYZXLMHCNWAD-ZCFIWIBFSA-N	169.228	1.243	50	20	ADGD	
C#C[C@]1(OC(=O)Cl)CCSC1	716355776	LWNDSZKOTIIOBD-ZETCQYMHSA-N	190.651	1.871	50	20	ADGD	
CCc1coc(NC(=O)CCl)n1	1327858897	ZRMNLIPMCNZBMK-UHFFFAOYSA-N	188.614	1.414	50	20	ADGD	
CC[C@@H](NNC(C)=O)c1ccccc1	2037957	NFGRRTXDITZOSL-LLVKDONJSA-N	192.262	1.778	50	20	ADGD	
O=C(CCl)NCCc1ccco1	38059558	VLHUCVNNDVWPQL-UHFFFAOYSA-N	187.626	1.177	50	20	ADGD	
CCNC(=O)NNc1ncccc1C	790633646	MZTVYWGOAATSEP-UHFFFAOYSA-N	194.238	1.036	50	20	ADGD	
C[C@H]1CC(=NNC(=O)CC2CC2)CO1	842533767	RQCYZVQXTRBAQH-ZETCQYMHSA-N	196.250	1.068	50	20	ADGD	
O=C(CCl)N1C[C@H]2C=C[C@H]1C2	1331263205	SSCAHKSGYNGVPD-BQBZGAKWSA-N	171.627	1.012	50	20	ADGD	
CC1(C)CNC(=O)[C@H](Cl)C1	142687102	JGRLFNQZUOIYAX-RXMQYKEDSA-N	161.632	1.140	50	20	ADGD	
O=C(CCl)N1CC[C@H]2CCC[C@H]21	307015973	UMLGEFXPDXCWMQ-HTQZYQBOSA-N	187.670	1.626	50	20	ADGD	
C[C@H]1OCCC1=NNC(=O)C(C)(C)C	747752710	BJIMEPUWVAMQBI-SSDOTTSWSA-N	198.266	1.314	50	20	ADGD	
CN(NC(=O)[C@H]1CC12CCC2)C1CC1	819649822	YPWWVDXWPZYNAO-SECBINFHSA-N	194.278	1.302	50	20	ADGD	
CC[C@H](C)CC=NNC(=O)C1CC1	834917654	HOJAUZMBZGMHIX-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
Cc1nc2sccn2c1/C=C/C=O	86207811	LKCHRQDSOXWBAM-NSCUHMNNSA-N	192.243	1.916	50	20	ADGD	
CCN(CC1CCC1)C(=O)CCl	230306809	IWMAPIXDUQDAAM-UHFFFAOYSA-N	189.686	1.874	50	20	ADGD	
CSSCCNC(=O)N(C)C	307928761	UBDWLZHKGUMMBB-UHFFFAOYSA-N	194.325	1.269	50	20	ADGD	
CCCCC(COC)=NNC(C)=O	308427280	RRIFAQWPLYFUSI-UHFFFAOYSA-N	186.255	1.315	50	20	ADGD	
CCO/C=C(/C#N)C(=O)NC(C)(C)C	746510605	ANBRZNIMLLDBGI-FPLPWBNLSA-N	196.250	1.345	50	20	ADGD	
C[C@H]1CCCC(=NN(C)C(N)=O)[C@@H]1C	781128671	SGCWUXXXJNHDOW-JGVFFNPUSA-N	197.282	1.809	50	20	ADGD	
CN(C[C@@H]1CCCN1C)C(=O)Cl	82390194	CJIXXVNHPUEERU-ZETCQYMHSA-N	190.674	1.371	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)NC(C)C	308298051	KTSFKJCBXKPZMB-MRVPVSSYSA-N	185.271	1.726	50	20	ADGD	
CC(=NNC(=O)C(C)C)[C@H]1CCOC1	741757444	WWNTWCSCAMVADQ-VIFPVBQESA-N	198.266	1.171	50	20	ADGD	
CC(C)[C@H](N)CCl	104586845	STATXSIYIAALDP-RXMQYKEDSA-N	121.611	1.209	50	20	ADGD	
C[C@@H](Cl)C(=O)OCCl	104714339	DXYWHRQSKDMJFU-GSVOUGTGSA-N	156.996	1.353	50	20	ADGD	
C[C@@H]1C[C@@H](NC=C(C#N)C#N)CCO1	769551458	LBYNKVCVTQBILY-SCZZXKLOSA-N	191.234	1.075	50	20	ADGD	
C[C@H]1C[C@H](C)CCC1=NN(C)C(N)=O	783861978	APUASPXLJVKMRQ-SFYZADRCSA-N	197.282	1.809	50	20	ADGD	
CC(C)C/C=C/C=O	75518338	SZZOEJIDVFOQJV-ONEGZZNKSA-N	112.172	1.788	50	20	ADGD	
C[C@@H]1CN(C(=O)CCl)C[C@H]1C	86011488	QMZUIZQCISIHKT-RNFRBKRXSA-N	175.659	1.340	50	20	ADGD	
CC[C@H]1CCC[C@@H]1NC(=O)CCl	306423774	IGJCCZZTKSDTIN-YUMQZZPRSA-N	189.686	1.920	50	20	ADGD	
CCCC=NNC(=O)C(C)C	307880399	QFXOGUFCBNGWJD-UHFFFAOYSA-N	156.229	1.545	50	20	ADGD	
CCC(=O)NN=C(C)C1(OC)CCC1	853262628	DDXWAIUATOSGBY-UHFFFAOYSA-N	198.266	1.458	50	20	ADGD	
CC[C@@H]1CCCN(C(=O)CCl)C1	36169330	UKHFEFUXJSDBMJ-MRVPVSSYSA-N	189.686	1.874	50	20	ADGD	
O=C1CCCCCN1CCCl	36883071	WYXJATNMETYMHZ-UHFFFAOYSA-N	175.659	1.628	50	20	ADGD	
CCCNC(=O)NN=CC1CC1	307974722	JZDRLIQFVNCTSR-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
COCC(C)=NNC(=O)CC(C)C	308265637	PDUFUEFUDCPVTO-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
CCNC(=O)NN=Cc1ccccc1	379340719	YLUYYCQZHHCAET-UHFFFAOYSA-N	191.234	1.340	50	20	ADGD	
CC(Cc1ccsc1)=NNC(=O)O	736629165	KFEOEHAJPUNRJY-UHFFFAOYSA-N	198.247	1.934	50	20	ADGD	
CN(NC(=O)c1cccs1)C1CC1	819642856	OZYHRKRVXBWVRY-UHFFFAOYSA-N	196.275	1.487	50	20	ADGD	
C[C@@H]1C[C@@H](CC(=O)NN)CC(C)(C)C1	825645039	NRRLDDCHZDCATB-BDAKNGLRSA-N	198.310	1.829	50	20	ADGD	
CC(C)C=NNC(=O)[C@H]1CCCCO1	834986915	TXONNEYKBBJUNZ-SECBINFHSA-N	198.266	1.314	50	20	ADGD	
CCC(=O)NNc1cccc(C)n1	862525439	QAWLYGSSWNSEQL-UHFFFAOYSA-N	179.223	1.243	50	20	ADGD	
F[C@@H]1OCC[C@H]1Br	1537958167	KSCJRQMDEGNNAB-QWWZWVQMSA-N	168.993	1.466	50	20	ADGD	
NNC(=O)NC1CCCCCCC1	36948060	SEIILZOGUCHNTH-UHFFFAOYSA-N	185.271	1.272	50	20	ADGD	
COC(=O)NN=C1CC[C@@H]2C[C@H]12	686246878	JWPCXTLMZFMXLN-RITPCOANSA-N	168.196	1.128	50	20	ADGD	
CN(Cc1ccncc1)C(=O)Cl	86889810	MAPBBIHYSUNXRS-UHFFFAOYSA-N	184.626	1.872	50	20	ADGD	
C=CC(=O)NCC(Cl)Cl	139125899	VOMOVVOEVZWGFA-UHFFFAOYSA-N	168.023	1.092	50	20	ADGD	
C[C@@H]1CC(=NNC(N)=O)CC(C)(C)C1	252447164	GPOZBXAWJMJAJE-SSDOTTSWSA-N	197.282	1.857	50	20	ADGD	
C[C@@H]1CCC[C@H]1NC=C(C#N)C#N	306217833	KNAIWNPDRLDUKY-PSASIEDQSA-N	175.235	1.696	50	20	ADGD	
O=C(CCCl)N1CCC[C@H](F)C1	409423448	OFBZHSGNDVAPSE-ZETCQYMHSA-N	193.649	1.576	50	20	ADGD	
CC(C)(C)CNS(=O)(=O)CCl	82512958	KZVNUBLDPASPIW-UHFFFAOYSA-N	199.703	1.148	50	20	ADGD	
CC[C@H]1CCC[C@H](NC(=O)NN)C1	82847395	IKUHWWCDJLULOK-YUMQZZPRSA-N	185.271	1.128	50	20	ADGD	
C[C@H]1CSCCN1C(=O)CCl	69761285	VFISHQGQYYQQDF-LURJTMIESA-N	193.699	1.189	50	20	ADGD	
CCn1cc(C(=O)CCl)cn1	86491034	HSIHVVFUJIDLCJ-UHFFFAOYSA-N	172.615	1.325	50	20	ADGD	
O=C[C@@]1(CCCl)CCOC1	307029920	DCUATVFWSUAUQW-SSDOTTSWSA-N	162.616	1.221	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)C1CCC1	308339926	QKHBTYXJMIFCFX-APPZFPTMSA-N	180.251	1.545	50	20	ADGD	
C[C@H](Cl)C12OCC(C)(CO1)CO2	409430752	HRVHXLYVFXJQSX-KKMMWDRVSA-N	192.642	1.351	50	20	ADGD	
CCC(=O)NN=C1C[C@@H](C)O[C@H]1C	834920384	KBSIIXKGDZXRNQ-RQJHMYQMSA-N	184.239	1.066	50	20	ADGD	
COC(=O)[C@H](Cl)C(C)C	32134352	GOPHIGFAKSXHMW-RXMQYKEDSA-N	150.605	1.423	50	20	ADGD	
CNC(=O)NN=C[C@@H](C)C(C)(C)C	379401646	LDXKANIIPLEPEU-SSDOTTSWSA-N	185.271	1.583	50	20	ADGD	
O=C(CCl)N1CC[C@H]2C[C@@H]2C1	575499283	IRDGSRNBBADMPU-NKWVEPMBSA-N	173.643	1.094	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1CCO[C@H]1C	747752847	FTQOAEFOTHUGAT-SFYZADRCSA-N	198.266	1.314	50	20	ADGD	
CCC(C)(C)C(=O)NN(C)C1CC1	819647521	NUCFBXJGNOTOTJ-UHFFFAOYSA-N	184.283	1.548	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CCC[C@@H](F)C1	1349373556	QXKBAQUHFJCLDY-NXEZZACHSA-N	193.225	1.788	50	20	ADGD	
C[C@H](Cl)C(=O)N1CC[C@@H](F)C1	409422371	DBXUIJFTBRJXSK-NTSWFWBYSA-N	179.622	1.184	50	20	ADGD	
CCC(CC)C(=O)NN(C)C1CC1	819645292	GASAEXXZFMOJDV-UHFFFAOYSA-N	184.283	1.548	50	20	ADGD	
CCC[C@@H](NC(=O)NN)C(C)(C)C	841908861	VWVHCBRBSJHYID-SSDOTTSWSA-N	187.287	1.374	50	20	ADGD	
CC(C)C(=O)NN=C[C@@H](C#N)C(C)C	1335134660	NJLXVFQXGVMZTF-SECBINFHSA-N	195.266	1.540	50	20	ADGD	
O=C(CCl)NC[C@@H]1C[C@H]2C=C[C@H]1C2	306372486	NFRPHBZBLUUGFM-CIUDSAMLSA-N	199.681	1.554	50	20	ADGD	
CCc1nn(C)cc1C=C(C#N)C#N	307649869	JCAGCOJZTDAXQN-UHFFFAOYSA-N	186.218	1.413	50	20	ADGD	
O=C(CCl)N1CCC(CF)CC1	409425491	GEWBBBNMGWWWJF-UHFFFAOYSA-N	193.649	1.433	50	20	ADGD	
O=C(NN=Cc1ccco1)C1CCC1	731933285	HBRWYJOOCKQLPH-UHFFFAOYSA-N	192.218	1.530	50	20	ADGD	
CC1(C(=O)N2CC=C(C#N)CC2)CC1	780687981	SLIUKHFAZMWUBR-UHFFFAOYSA-N	190.246	1.469	50	20	ADGD	
CC(C)C(=O)NN=C[C@@H]1CCCOC1	814744727	QSPFGSMLQDWUHE-VIFPVBQESA-N	198.266	1.171	50	20	ADGD	
C=C(C)C(C)(C)C(=O)NN(C)C1CC1	819652946	FTOLOUDIOQVKBR-UHFFFAOYSA-N	196.294	1.714	50	20	ADGD	
Oc1ccc([C@H](O)CCl)cc1	37630189	LIRPGLPOHOMCQF-MRVPVSSYSA-N	172.611	1.664	50	20	ADGD	
CCOC(=O)[C@@H](Cl)C(C)C	39617618	NBFKEXJJXICYDE-LURJTMIESA-N	164.632	1.813	50	20	ADGD	
COC(=O)C/C=C/CCl	33844131	LDUHAFLJGKEHMD-NSCUHMNNSA-N	148.589	1.345	50	20	ADGD	
CC[C@@](C)(C#N)NC(=O)CCl	218153399	LAQNNADDNIIZMJ-ZETCQYMHSA-N	174.631	1.034	50	20	ADGD	
C=C(CC)CNS(=O)(=O)CCl	313477264	BTFKRAQVXWKCTJ-UHFFFAOYSA-N	197.687	1.068	50	20	ADGD	
COC(=O)NN=C1CC[C@H]1C1CCC1	814692660	SLOTVFYCPMBQLE-QMMMGPOBSA-N	196.250	1.909	50	20	ADGD	
CCOC(=O)NN=C1CC[C@@H]2C[C@H]12	872326634	RBVPZYVUORQZAJ-RQJHMYQMSA-N	182.223	1.518	50	20	ADGD	
FCC1=NO[C@H](CCl)C1	224975475	ABAOOKLQYMNJGS-YFKPBYRVSA-N	151.568	1.340	50	20	ADGD	
CCOCC(C)=NNC(=O)C1CCC1	731934010	QROOELULTMXELN-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCNC(=O)NN=C[C@@H](C)CC(C)C	799110636	YSSVJABSSXYWAB-VIFPVBQESA-N	199.298	1.974	50	20	ADGD	
CCCCCCCNC(=O)NN	197369615	PNXJAXDZPCQZEX-UHFFFAOYSA-N	173.260	1.130	50	20	ADGD	
CCc1nc(C=NNC(C)=O)cs1	308253054	GYYVBULUGXEWLN-UHFFFAOYSA-N	197.263	1.176	50	20	ADGD	
CC[C@@H]1CCC[C@H](C=NNC(N)=O)C1	394614716	KHGYEDQQSNDSDB-BDAKNGLRSA-N	197.282	1.857	50	20	ADGD	
C[C@H](Cl)C(=O)N1CCC(F)CC1	409422863	JMOFUPPXBKWKOL-LURJTMIESA-N	193.649	1.574	50	20	ADGD	
C[C@@H](CCl)[C@H]1CCS(=O)(=O)C1	85042997	FFOVGOIOOKKLCL-BQBZGAKWSA-N	196.699	1.296	50	20	ADGD	
CNC(=O)NN=C1CCC(C)CC1	306283001	IOWVEVRRDFRIFW-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccsc1	379411854	IZXOHJMEYUUWPC-UHFFFAOYSA-N	196.275	1.854	50	20	ADGD	
N#Cc1cccc(/C=C/C=O)c1	38892006	XMKZFCPGOLTXGQ-GORDUTHDSA-N	157.172	1.770	50	20	ADGD	
CCC(=O)NNc1cccc(C)c1	39139392	IVXAYXDUYSBHSV-UHFFFAOYSA-N	178.235	1.848	50	20	ADGD	
CC(=O)NN=C1CCC12CCCC2	308132413	BVAWKFSIXKWAEL-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
CCc1nc(C)cn1C/C=C\C#N	865393474	XIDNSXGHHCDZCM-PLNGDYQASA-N	175.235	1.834	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccco1	254840496	DTMWNNQMYZJZSU-UHFFFAOYSA-N	180.207	1.386	50	20	ADGD	
COC[C@]1(CCl)CCCO1	306368048	KINVJBQQXIEPDN-SSDOTTSWSA-N	164.632	1.421	50	20	ADGD	
CC[C@H](Cl)C(=O)N(C)C	5921927	UCELCVSCXNSTPP-YFKPBYRVSA-N	149.621	1.092	50	20	ADGD	
ClCc1cccc2nonc12	299889734	NYHPEFWWHCRJCF-UHFFFAOYSA-N	168.583	1.962	50	20	ADGD	
O=C[C@]1(CCl)CCCOC1	307544398	HFYQKSIYWONJQC-SSDOTTSWSA-N	162.616	1.221	50	20	ADGD	
CC[C@H](C)C(=O)NN=CC(C)C	393340341	YPVKZGOQSGRYRH-QMMMGPOBSA-N	170.256	1.791	50	20	ADGD	
CNC(=O)NN=Cc1cccc(C)c1	920378687	AFNUGFKWBLUVLU-UHFFFAOYSA-N	191.234	1.258	50	20	ADGD	
CO[C@@H]1CCC[C@@H]1Br	32218588	HNBGZVCNAAUYAD-NTSWFWBYSA-N	179.057	1.949	50	20	ADGD	in-vitro
COC(=O)N(C)N=C1CC[C@H](C)C1	382307181	PAPJOLWHFAUGOO-ZETCQYMHSA-N	184.239	1.861	50	20	ADGD	
CNC(=O)NN=C1CCC[C@H](C)[C@H]1C	781121914	DGTAKFGJLNREGX-JGVFFNPUSA-N	197.282	1.728	50	20	ADGD	
C/C=C(\CC)C(=O)NN(C)C1CC1	819651519	NSWYSCIDISMOLM-XBXARRHUSA-N	182.267	1.468	50	20	ADGD	
CS(=O)(=O)CCCCCCCl	51019067	DKARHDWOOUXLEL-UHFFFAOYSA-N	198.715	1.830	50	20	ADGD	
C[C@@H]1CCC(=NNC(N)=O)C[C@H]1C	252472986	RTVIYBKONXZKSR-RNFRBKRXSA-N	183.255	1.467	50	20	ADGD	
CCCCNC(=O)NN=C(C)C	307950781	NYMJMXPYPFWXSF-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CCOC(=O)NN=C(C)C1CCC1	308437823	XMXAEIQMIPGIJM-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
COC(=O)N(C)N=C1CC[C@@H](C)C1	382306753	PAPJOLWHFAUGOO-SSDOTTSWSA-N	184.239	1.861	50	20	ADGD	
C=CC(C)(C)C(=O)NN(C)C1CC1	819652895	CQBSTDKUJYLNCN-UHFFFAOYSA-N	182.267	1.324	50	20	ADGD	
CCS(=O)(=O)CCCCCl	32007807	LTCORABQQVXIEC-UHFFFAOYSA-N	184.688	1.440	50	20	ADGD	
CCCc1ccccc1NC(=O)NN	49561740	ZPVXZVFHEXWBBP-UHFFFAOYSA-N	193.250	1.634	50	20	ADGD	
O=C1CCSC[C@@H]1Br	95830111	XUKGGHJNHRXGTC-BYPYZUCNSA-N	195.081	1.456	50	20	ADGD	
C[C@@H]1CN(C(=O)CCl)CCS1	135280573	UJSHJRPYKLPUFT-ZCFIWIBFSA-N	193.699	1.189	50	20	ADGD	
C[C@@H]1C[C@@H]1C(=O)NCCCSC#N	379415719	QDTBEIQGKXTHDE-SFYZADRCSA-N	198.291	1.363	50	20	ADGD	
CC/C=C(/C)C(=O)NNC(=O)C(C)C	914881956	YDXWTXUWQSLOMT-VURMDHGXSA-N	198.266	1.146	50	20	ADGD	
CCc1cccc(C)c1NC(=O)NN	36948008	YWRJLXHBGLCICH-UHFFFAOYSA-N	193.250	1.553	50	20	ADGD	
CC[C@@H]1CCCC1=NN(C)C(N)=O	308226641	NBLXWYKFTFGZHD-SSDOTTSWSA-N	183.255	1.563	50	20	ADGD	
C=CCCC(C)=NNC(=O)C1CC1	379382798	JKLYFXLOYAOKCR-UHFFFAOYSA-N	180.251	1.855	50	20	ADGD	
CCNC(=O)NN=C(C)CCC1CC1	768767548	IGKBNAQYBYRFDQ-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)NC(C)C	807965958	NQPNRCVXBFQAPF-QMMMGPOBSA-N	197.282	1.870	50	20	ADGD	
C[C@H]1CCC[C@H]1NC=C(C#N)C#N	306217837	KNAIWNPDRLDUKY-WCBMZHEXSA-N	175.235	1.696	50	20	ADGD	
C[C@@H](C=NNC(N)=O)C(C)(C)C	388520895	XDTLWXNNJSZAIV-LURJTMIESA-N	171.244	1.323	50	20	ADGD	
ClCCn1ccn2nccc12	409436887	BZMKMZHEABVJEZ-UHFFFAOYSA-N	169.615	1.375	50	20	ADGD	
CC(C)(CCl)CCS(C)(=O)=O	85042766	XHNPDUSGFBSFAO-UHFFFAOYSA-N	198.715	1.686	50	20	ADGD	
O=C(CCl)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	300358267	DVSILXRGHUWKAP-XRRXOLGASA-N	199.681	1.386	50	20	ADGD	
C[C@@H]1CC(C)(C)CC1=NNC(N)=O	308033311	QJRDANQFGLCAJO-ZCFIWIBFSA-N	183.255	1.467	50	20	ADGD	
CCOCC(=O)NN=C1CC[C@H](C)C1	814842131	STNUUIFEURDDJW-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
CCC(=NN(C)C(N)=O)[C@H]1C[C@H]1C	841631276	GPJXVBJFBXPYAA-RQJHMYQMSA-N	183.255	1.419	50	20	ADGD	
C#CC1CCC(=NNC(=O)OC)CC1	853257555	FTMAVJIPPHUEJS-UHFFFAOYSA-N	194.234	1.522	50	20	ADGD	
C=C/C=C(\C)C=O	39648072	GPOYSKDINJWXAG-GQCTYLIASA-N	96.129	1.318	50	20	ADGD	
Cc1cnc(NC(=O)CCl)o1	72220060	XHHCVGYXPGCOBG-UHFFFAOYSA-N	174.587	1.160	50	20	ADGD	
C[C@@H](C(=O)CBr)C1CC1	96378669	YXOBENYQWAVNBA-RXMQYKEDSA-N	191.068	1.997	50	20	ADGD	
NC(=O)NN=C1CCC[C@@H](C2CC2)C1	252475437	DXRRAGCWBMZGEC-MRVPVSSYSA-N	195.266	1.611	50	20	ADGD	
CCOCC(=O)NN=C(CC)C1CC1	741164661	VHNVAKPTXFWSLP-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C/C=C(\CC)C(=O)NNC(=O)C(C)C	788699800	CNZLVZWUXRTMIA-VMPITWQZSA-N	198.266	1.146	50	20	ADGD	
C=C(Cl)CN1CC=C(C#N)CC1	839531202	HIEQXTXXWPOXMN-UHFFFAOYSA-N	182.654	1.895	50	20	ADGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@H]2F)CC1	1519847655	HDJIGWJVHNLYFE-RKDXNWHRSA-N	194.209	1.027	50	20	ADGD	
NNC(=O)NCCC1=CCCCC1	841609585	BRQIKLYDJXKNGF-UHFFFAOYSA-N	183.255	1.050	50	20	ADGD	
C=CCC1(CNC(=O)NN)CCCC1	841915234	ZRHSAZJRXODOMP-UHFFFAOYSA-N	197.282	1.296	50	20	ADGD	
CC(C)C(=O)NN[C@H](C)C(F)(F)F	862307083	IFUPSYSLKHPUKT-RXMQYKEDSA-N	198.188	1.214	50	20	ADGD	
O=C(CCl)NCc1ccoc1	135279140	WPTBLZVZVGYISM-UHFFFAOYSA-N	173.599	1.135	50	20	ADGD	
CCCC=NNC(=O)CC(C)C	307977160	MFEISMOEVVEATE-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
CCOC(=O)NN=CCCSC	307997082	WWKJFTUPAAVOCK-UHFFFAOYSA-N	190.268	1.471	50	20	ADGD	
CC(=NNC(=O)C(C)C)C1CCC1	379390927	OQKJIFRYCMBSIV-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
NNC(=O)CCCC1CCCCC1	37387934	CMSJFUFHVIAXHE-UHFFFAOYSA-N	184.283	1.727	50	20	ADGD	
NNC(=O)CC(C1CCC1)C1CCC1	876790263	XLKPGIFEJYGYSR-UHFFFAOYSA-N	196.294	1.583	50	20	ADGD	
CCCCCC[C@H](C)C(=O)N(C)N	1573735636	NJXJAHFDLQVDQV-VIFPVBQESA-N	186.299	1.925	50	20	ADGD	
O=C1CCC2(CCC2)C(=O)O1	2298024324	XLCBAFAKXSLJFR-UHFFFAOYSA-N	154.165	1.020	50	20	ADGD	
N#CC(C#N)=CNc1ccc(O)cc1	10334585	XRCFOZYONOJWEI-UHFFFAOYSA-N	185.186	1.735	50	20	ADGD	
CCOCCC=NNC(=O)OCC	308307644	OXUBDISTRXYLIS-UHFFFAOYSA-N	188.227	1.145	50	20	ADGD	
C[C@@H]1CCCCC1=NNC(=O)N(C)C	745605748	ZSRVYGFHCJHJJG-MRVPVSSYSA-N	197.282	1.824	50	20	ADGD	
C/C=C/C(=O)NN[C@H](C)C(F)(F)F	862302829	CFPRGHZAPFJELO-QLSVQJPWSA-N	196.172	1.134	50	20	ADGD	
O=C(CCCl)N1CC[C@@H](F)C1	409423958	RYMADOLPVPCQIR-ZCFIWIBFSA-N	179.622	1.186	50	20	ADGD	
CC(=O)NN=Cc1c(C)cccc1C	755466943	BKSFOLZRDYHMIM-UHFFFAOYSA-N	190.246	1.773	50	20	ADGD	
Cc1nccc(CBr)n1	124778637	JZNMWQOVGKWLMO-UHFFFAOYSA-N	187.040	1.680	50	20	ADGD	
C[C@@H]1CCC[C@H](CC(=O)NN)C1	306958610	VZCAYXRISVRJQQ-SFYZADRCSA-N	170.256	1.193	50	20	ADGD	
ClCc1n[nH]c2c1CSCC2	409439034	NSQBQJAAHTVVSO-UHFFFAOYSA-N	188.683	1.938	50	20	ADGD	
CC[C@H](C)C(=O)N1CC=C(C#N)CC1	767160526	SXBBLBNLYVNBHQ-VIFPVBQESA-N	192.262	1.715	50	20	ADGD	
CO[C@H](C=NNC(=O)C(C)C)C1CC1	853273427	KKDVMWWNRDSJCP-SECBINFHSA-N	198.266	1.169	50	20	ADGD	
C[C@@H](NC(=O)CCl)c1cccnc1	35689522	YRUJINDMLFMFFR-SSDOTTSWSA-N	198.653	1.498	50	20	ADGD	
COC[C@H](NC(=O)CCl)C(C)C	83398406	YJKTWHFYNKPAKC-ZETCQYMHSA-N	193.674	1.012	50	20	ADGD	
CCC(=CC(=O)NN(C)C1CC1)CC	819649014	BBVISWGUVJFGGL-UHFFFAOYSA-N	196.294	1.858	50	20	ADGD	
C=CCCCNS(=O)(=O)CCl	307871997	KDPHTIXWIYIRMJ-UHFFFAOYSA-N	197.687	1.068	50	20	ADGD	
CC[C@H](Cl)C(=O)N1CC(F)(F)C1	409423676	QEFDLOATCVTIHJ-YFKPBYRVSA-N	197.612	1.481	50	20	ADGD	
CC/C(C)=C/C(=O)NNC(=O)C(C)C	822203903	VDDDHTIKXPHYEN-SOFGYWHQSA-N	198.266	1.146	50	20	ADGD	
O=C(Cl)N1C[C@@H]2CC[C@H]2C1	39056070	XBGXAONDHMFSCO-WDSKDSINSA-N	159.616	1.687	50	20	ADGD	
O=C(CCCl)N1CC(F)(F)C1	238666621	XYPHSWARNCJDQO-UHFFFAOYSA-N	183.585	1.093	50	20	ADGD	
CC(C)CCCCCC(=O)NN	259046667	UOCGVXARPYRXKL-UHFFFAOYSA-N	172.272	1.583	50	20	ADGD	
F[C@H](CBr)C1COC1	1537962945	KRDBIJYNCZJBAZ-RXMQYKEDSA-N	183.020	1.366	50	20	ADGD	
NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	123457690	FYAGCEQRKPFMRI-LPEHRKFASA-N	196.294	1.583	50	20	ADGD	
CC[C@H]1CC[C@H](C(=O)NN)CC1	306245716	UZYRGLDDHSNVNZ-ZKCHVHJHSA-N	170.256	1.193	50	20	ADGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NN	306275709	RCDJRDQPLZVCJE-HTQZYQBOSA-N	170.256	1.193	50	20	ADGD	
CCOC(=O)NN=Cc1occc1C	743421092	YKMUFBYFRQCJJX-UHFFFAOYSA-N	196.206	1.668	50	20	ADGD	
CN(NC(=O)C1CC2(CC2)C1)C1CC1	854983820	UWKBKJZTMVKFHH-UHFFFAOYSA-N	194.278	1.302	50	20	ADGD	
COc1cc(CCl)n(C)n1	238401449	PPKHPULQTGRKPU-UHFFFAOYSA-N	160.604	1.168	50	20	ADGD	
CCC(=NNC(=O)C1CC1)C1CC1	308292706	IFEKLVJMIZOVFB-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
O=C(NNc1ccccc1F)C1CC1	748049443	ZZDLWPHAQIKTAL-UHFFFAOYSA-N	194.209	1.679	50	20	ADGD	
CC[C@@H](C)[C@H](C)C(=O)NN(C)C1CC1	819650254	WIDPAHDSNOBJSK-BDAKNGLRSA-N	198.310	1.794	50	20	ADGD	
C/C(C#N)=C/CSC1CNC1	1575045689	OWXKKAJQRVDXCV-UQCOIBPSSA-N	168.265	1.161	50	20	ADGD	
O=C(CCl)N[C@@H]1C=CCCC1	196510256	OOLRNHQZDJITHP-SSDOTTSWSA-N	173.643	1.450	50	20	ADGD	
CCNC(=O)NN=C1CC2(CC2)C1	307133038	MGKKPKKACQARGO-UHFFFAOYSA-N	181.239	1.236	50	20	ADGD	
CC(=O)NNC(=O)C1=CCCCCC1	775766191	WMBHNRPNHNJHKK-UHFFFAOYSA-N	196.250	1.044	50	20	ADGD	
CCOCC(=O)NN=C1CC[C@H]1CC	807971806	CJRQWVKKRGSTQF-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
N#CC(C#N)=Cc1ccoc1C(=O)O	1610618661	KEYLVLQGGJVJGW-UHFFFAOYSA-N	188.142	1.408	50	20	ADGD	
C/C=C/C(=O)NNc1cccc(F)c1	748088352	SZTQERDUYWXWIT-DUXPYHPUSA-N	194.209	1.845	50	20	ADGD	
CC(=O)NN=Cc1ccc(C)cc1	17163371	OTXOLASULYVVKB-UHFFFAOYSA-N	176.219	1.465	50	20	ADGD	
CCn1cccc(CCl)c1=O	82662817	CJLOYDNUROEPHE-UHFFFAOYSA-N	171.627	1.607	50	20	ADGD	
CCOCCC=NN(C)C(=O)OC	308316861	XMADGUDUUMWNEK-UHFFFAOYSA-N	188.227	1.097	50	20	ADGD	
CC(C)C[C@H](C#N)NC(=O)CCl	379289415	HGUOYGREJDWBCK-SSDOTTSWSA-N	188.658	1.280	50	20	ADGD	
O=C(CCCl)N1CC(CF)C1	409429145	OBDBINUKDFIZHH-UHFFFAOYSA-N	179.622	1.043	50	20	ADGD	
Cc1ccc(C=NNC(=O)O)cc1F	738270521	RMKJXICCOJDZOU-UHFFFAOYSA-N	196.181	1.736	50	20	ADGD	
C[C@H]1CCC[C@H](C=NN(C)C(N)=O)C1	768367016	LFXBJIMLFSJHBI-IUCAKERBSA-N	197.282	1.809	50	20	ADGD	
C[C@H]1CC[C@@H](CNC=C(C#N)C#N)O1	840731320	YTPHEDNTOMYMIQ-WPRPVWTQSA-N	191.234	1.075	50	20	ADGD	
CNC(=O)NN=C(C)c1cccs1	379410894	HCDYEUAARHQBMR-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
CCO/C=C(\C#N)c1nnc(C)o1	379414802	OUDVOVNPCAEZMX-FNORWQNLSA-N	179.179	1.279	50	20	ADGD	
CCC(=NNC(=O)O)[C@H]1CCOC1	736833291	BGBVOOYMOKCPJT-LURJTMIESA-N	186.211	1.057	50	20	ADGD	
CC(C)C(=O)NN=C1CC(C)(C)C1	307162743	IJNGHELNQNZGLX-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CCOCC(C)=NNC(=O)CC1CC1	814989300	JWNMGWSAYKNWMR-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCOC1CCN(C(=O)Cl)CC1	86893999	AKGPPYPWTWFBPF-UHFFFAOYSA-N	191.658	1.846	50	20	ADGD	
CCNC(=O)NN=C(CC)CC	307961245	XCCOEYKYNKOSCM-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CNC(=O)NN=C(C)CC1CCCC1	752726616	IESUHGRUCOHUKP-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CNC(=O)NN=C1CC(C)(C)C[C@@H]1C	766013843	QHHBAVUJYXPGGS-ZETCQYMHSA-N	197.282	1.728	50	20	ADGD	
CCNC(=O)NN=C1CC[C@@H]1C1CC1	814817092	BRDRQHMIUXODMU-MRVPVSSYSA-N	195.266	1.482	50	20	ADGD	
CCC(=NN(C)C(N)=O)c1ccco1	814891117	OCEJOCMHOJOKCI-UHFFFAOYSA-N	195.222	1.404	50	20	ADGD	
CC(C[C@H]1CCOC1)=NNC(=O)O	824769357	UHDKIAWSEJFYOY-SSDOTTSWSA-N	186.211	1.057	50	20	ADGD	
CCCCCC(=O)NN(C)C1CC1	819643936	VDOZAOYRUYJHTQ-UHFFFAOYSA-N	184.283	1.692	50	20	ADGD	
CN(C)C(=O)NN=Cc1ccccc1	745605720	YUMOMFDRAODAAM-UHFFFAOYSA-N	191.234	1.292	50	20	ADGD	
CNC(=O)NN=CC(C(C)C)C(C)C	788995272	UVPUMUBVOXSRQA-UHFFFAOYSA-N	199.298	1.829	50	20	ADGD	
CCNC(=O)NN=Cc1ccoc1C	841620314	GPSFLWUDSTVIOK-UHFFFAOYSA-N	195.222	1.241	50	20	ADGD	
COC(CCCCCl)(OC)OC	85221508	UHDAOSQTFFOKOK-UHFFFAOYSA-N	196.674	1.989	50	20	ADGD	
CC1(C)CC[C@H]1NC=C(C#N)C#N	306253455	LMEMWLLZRSPBFU-SECBINFHSA-N	175.235	1.696	50	20	ADGD	
CC1CC(=NNC(=O)C2CCC2)C1	307601704	VGEKUZNLIDVTJN-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CC(=O)NN=C1CCCC1(C)C	307969812	WISIHBRKEOXJLW-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
CC(C)CCC=NNC(=O)C(F)F	378862465	SYNJUANHXKYQPF-UHFFFAOYSA-N	192.209	1.790	50	20	ADGD	
CSCCC=NNC(=O)C(C)C	379336480	QOVJXCGXRJRMNU-UHFFFAOYSA-N	188.296	1.498	50	20	ADGD	
C/C=C(\C)C(=O)NNc1ccccn1	777469660	ZVKVCODYVCBGAD-FPYGCLRLSA-N	191.234	1.491	50	20	ADGD	
CCNC(=O)NN=C[C@@H]1CC=CCC1	920828531	MSVKSMMCZPRGBN-SECBINFHSA-N	195.266	1.648	50	20	ADGD	
CS(=O)(=O)CCCCCCl	38063443	VWFNBYDDLWCZCM-UHFFFAOYSA-N	184.688	1.440	50	20	ADGD	
CCCCCC[C@@H](C)NC(=O)NN	49231322	QYIGXJITUILXJK-MRVPVSSYSA-N	187.287	1.518	50	20	ADGD	
CN(C)[C@H]1CCCN(C(=O)Cl)C1	86894443	OBPZZTCIZAXLBV-ZETCQYMHSA-N	190.674	1.371	50	20	ADGD	
ClCc1cnn2cc[nH]c12	238523626	WGUIVFSVZONDRF-UHFFFAOYSA-N	155.588	1.401	50	20	ADGD	
CN(CC(Cl)Cl)C(=O)C1CC1	307734183	UVOPDAGAPQHRLE-UHFFFAOYSA-N	196.077	1.659	50	20	ADGD	
COCC(C)(C)CNC(=O)CCl	308041372	NQHSKQQJJOLFKW-UHFFFAOYSA-N	193.674	1.014	50	20	ADGD	
C#C[C@]1(OC(=O)Cl)CCOC1	716355172	GBLAOIZPXRFJOT-ZETCQYMHSA-N	174.583	1.154	50	20	ADGD	
CCOC(=O)NN=C1CC[C@H]1C1CC1	814692413	BNKLWHKUMROQRW-QMMMGPOBSA-N	196.250	1.909	50	20	ADGD	
O=C(NN=C1C[C@H]2CC[C@H]1C2)C1CC1	814700132	NHLNEIJLTIXMDK-CBAPKCEASA-N	192.262	1.689	50	20	ADGD	
CC(=NNC(=O)NCC1CC1)C(C)C	920828887	IOMYAABKLOSFAA-UHFFFAOYSA-N	197.282	1.728	50	20	ADGD	
CCOC(=O)NN=C1CC[C@@H]1CC	308395746	DAOBKIFWTLMKLW-ZETCQYMHSA-N	184.239	1.909	50	20	ADGD	
COC(=O)NN=Cc1cc(C)ns1	308463530	IIIIEGNZYHCSLL-UHFFFAOYSA-N	199.235	1.141	50	20	ADGD	
CCc1nc(SC/C=C\C#N)n[nH]1	379387766	IEOBPQJSJPHJOC-ARJAWSKDSA-N	194.263	1.539	50	20	ADGD	
CC(C)CC(=O)NN=C1CCO[C@H]1C	747740597	GTRFLZUXVOPNGZ-QMMMGPOBSA-N	198.266	1.314	50	20	ADGD	
CCC(=O)NN=C1CCn2cccc21	818217492	PBOJWJJNONYANK-UHFFFAOYSA-N	191.234	1.122	50	20	ADGD	
CCC(=O)NN=C(C)c1ccccn1	915916569	JMEMJTRRKICLKX-UHFFFAOYSA-N	191.234	1.332	50	20	ADGD	
CSc1ccc(C)c(C(=O)NN)c1	36963014	JXPRXYKNGRYXEC-UHFFFAOYSA-N	196.275	1.320	50	20	ADGD	
CN(Cc1ccoc1)C(=O)CCl	42448615	ZPPMTKPHUSTPRJ-UHFFFAOYSA-N	187.626	1.477	50	20	ADGD	
C[C@H](N)[C@H](C)Br	83592675	INJIQMGWSVPZFJ-IMJSIDKUSA-N	152.035	1.117	50	20	ADGD	
CCn1cccc1/C=C(/C#N)C(=O)O	85607979	KXTLUPPDARTWIP-VURMDHGXSA-N	190.202	1.500	50	20	ADGD	
CCc1ccc(/C=C(\C#N)C(=O)O)o1	220636531	WTDRZWGHXGXFDH-FNORWQNLSA-N	191.186	1.834	50	20	ADGD	
Cc1sccc1C=NNC(N)=O	307869970	YVJLVPJNAHYNPZ-UHFFFAOYSA-N	183.236	1.059	50	20	ADGD	
COCCCC(C)=NNC(=O)O	828946199	YKIZHNXUYJSEMC-UHFFFAOYSA-N	174.200	1.057	50	20	ADGD	
CC(C)=NNC(=O)[C@@H]1CCCCO1	834989036	PAXSHNYCNXFKQK-QMMMGPOBSA-N	184.239	1.068	50	20	ADGD	
Cc1ncc(C(=O)Cl)cn1	167514691	QZASYKCFXACXJX-UHFFFAOYSA-N	156.572	1.164	50	20	ADGD	
CC(C)C(=NN(C)C(N)=O)C1CC1	308282366	XNXUNHQFMWMSNV-UHFFFAOYSA-N	183.255	1.419	50	20	ADGD	
C=C(CC)CNC=C(C#N)C#N	840730451	UXXXQEIUWIYCST-UHFFFAOYSA-N	161.208	1.473	50	20	ADGD	
CCCNC(=O)NN=C1CC[C@@H]2C[C@H]12	872344538	HHBKOHMNJDFPRV-SFYZADRCSA-N	195.266	1.482	50	20	ADGD	
Cc1ccc(CNC(=O)CCl)cn1	57844129	KKAJNBADXZIPKM-UHFFFAOYSA-N	198.653	1.245	50	20	ADGD	
O=C(CCl)NC/C=C/Cl	104728115	PBJIMTHLVVVTBG-OWOJBTEDSA-N	168.023	1.094	50	20	ADGD	
CN(N=C1CCC(C)(C)C1)C(N)=O	393718798	FKSABJOYJCMXEG-UHFFFAOYSA-N	183.255	1.563	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CCC(F)(F)C1	763108351	MZFRNQHYEYTLIS-QMMMGPOBSA-N	197.188	1.695	50	20	ADGD	
CCC(=NNC(=O)N(C)C)C1CCC1	834949483	TWESLVBBKYOXPS-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NN	841785900	LHZYZRSIPJNAGA-DTWKUNHWSA-N	199.298	1.518	50	20	ADGD	
NNC(=O)c1ccc(C2CC2)cc1	852773236	WCHCQDRJWNPDLC-UHFFFAOYSA-N	176.219	1.168	50	20	ADGD	
CCC(=O)NN=C1CCCC1	20828392	UIUBTZORKCFVHE-UHFFFAOYSA-N	154.213	1.443	50	20	ADGD	
O=C(NN=C1CCCC1)C(F)F	306418703	VOZHTMHNSGBICY-UHFFFAOYSA-N	176.166	1.298	50	20	ADGD	
CC[C@@H](Cl)C(=O)N1CC(CF)C1	409426814	ISEFDNDNRSMXRX-SSDOTTSWSA-N	193.649	1.432	50	20	ADGD	
CC(C)[C@@H]1C[C@H]1CNC=C(C#N)C#N	840725169	DXHSICBJFKQJLH-QWRGUYRKSA-N	189.262	1.799	50	20	ADGD	
CC(C)C=NNC(=O)c1ccncc1	864094628	MJPCTVYIHONTJH-UHFFFAOYSA-N	191.234	1.453	50	20	ADGD	
O=C(CCl)N1CC[C@H]2CCC[C@@H]21	307015986	UMLGEFXPDXCWMQ-SFYZADRCSA-N	187.670	1.626	50	20	ADGD	
CN(C)C(=O)NN=CCC(C)(C)C	379406223	VXFIDPBCOWXYSM-UHFFFAOYSA-N	185.271	1.680	50	20	ADGD	
CCC(=NNC(=O)NC)C1CC1	388388788	AEJXOHYYOWNJSZ-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
C[C@H](Cl)C(=O)N1CCC(F)(F)C1	306248925	VCMLSAPARUPOOT-YFKPBYRVSA-N	197.612	1.481	50	20	ADGD	
CCC(CC)=NNC(=O)NC	306756863	MRZYTPBFJKAZGV-UHFFFAOYSA-N	157.217	1.091	50	20	ADGD	
CC(C)OC(=O)/C(C#N)=C\C1CC1	388832695	WPPSZSUVTOZADL-UITAMQMPSA-N	179.219	1.798	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccn(C)c1	749854852	ZPVOLKSLVGOQEI-UHFFFAOYSA-N	193.250	1.131	50	20	ADGD	
CN1C[C@H](Cl)C(=O)C[C@H]1Cl	242648903	RKBQLVUHMNKYEG-NJGYIYPDSA-N	182.050	1.063	50	20	ADGD	
N#CC1=CCN(C/C=C/Cl)CC1	306448819	XHPLGJLGLAFTFB-DAFODLJHSA-N	182.654	1.895	50	20	ADGD	
CC1(C)CCC[C@H](C(=O)NN)C1	307155338	VKOXYOYBQOVKFK-ZETCQYMHSA-N	170.256	1.193	50	20	ADGD	
CCCC(CC)=NNC(=O)NCC	379414603	OGTLWLANNVINFC-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
CC[C@H]1CCCC1=NNC(=O)N(C)C	758375357	RKBICYORIKAMPF-QMMMGPOBSA-N	197.282	1.824	50	20	ADGD	
Cc1ncccc1C=C(C#N)C#N	306788966	SMHWPCPZBWHWOR-UHFFFAOYSA-N	169.187	1.821	50	20	ADGD	
C[C@H](CC(=O)NN)c1ccccc1F	825644937	KSKWAOWUOHJZCJ-SSDOTTSWSA-N	196.225	1.309	50	20	ADGD	
CCCC(CCC)=NNC(N)=O	4887601	RXOSBDKCDBATQI-UHFFFAOYSA-N	171.244	1.611	50	20	ADGD	
O=C(Cl)Cc1ccc(O)c(O)c1	33604924	BUEXVFFGVMTYSY-UHFFFAOYSA-N	186.594	1.406	50	20	ADGD	
O=Cc1cnn(CCCCCl)c1	68575303	UMGROLHEYICERG-UHFFFAOYSA-N	186.642	1.715	50	20	ADGD	
O=C(CCl)NC/C=C\Cl	212144833	PBJIMTHLVVVTBG-UPHRSURJSA-N	168.023	1.094	50	20	ADGD	
CNC(=O)NN=C1CCC12CCC2	308407702	KJVGASPKOFQMAO-UHFFFAOYSA-N	181.239	1.236	50	20	ADGD	
CC(C)(C(=O)NN)C1CCCC1	258988603	KTXJBFZOGCDLAV-UHFFFAOYSA-N	170.256	1.193	50	20	ADGD	
CCCNC(=O)NN=C(CC)C1CC1	741163168	PQBDWDJNCCCVIR-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CN(NC(=O)C1CC=CC1)C1CC1	819646620	CQWJRQHRXBNDCZ-UHFFFAOYSA-N	180.251	1.078	50	20	ADGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NN	876788546	CMGLWWSTPPQRSG-SFYZADRCSA-N	170.256	1.193	50	20	ADGD	
C[C@@H]1CCCN(C(=O)CCl)[C@@H]1C	50564692	JDCCHAJLWPCGMH-HTQZYQBOSA-N	189.686	1.872	50	20	ADGD	
C[C@@]12CC=CC[C@H]1C(=O)OC2=O	64633515	SOOZEQGBHHIHEF-IMTBSYHQSA-N	166.176	1.042	50	20	ADGD	in-vitro
Cc1cc(NC=C(C#N)C#N)n[nH]1	306312803	NYHISZRDWMUALT-UHFFFAOYSA-N	173.179	1.061	50	20	ADGD	
CNC(=O)NN=C1CC2(CCC2)C1	307245927	WVYUJWLMVNTLPO-UHFFFAOYSA-N	181.239	1.236	50	20	ADGD	
CC[C@H](C)C=NNC(=O)C1CC1	393329203	YVICSOZXTGJGQS-ZETCQYMHSA-N	168.240	1.545	50	20	ADGD	
O=C(CCl)N1CC[C@H](CF)C1	409428360	MHGIZBQXSACKTN-ZCFIWIBFSA-N	179.622	1.043	50	20	ADGD	
CCCCNC(=O)NN=C[C@@H]1C[C@H]1C	758374756	IKWKVFRCSJSOOD-BDAKNGLRSA-N	197.282	1.728	50	20	ADGD	
CN(NC(=O)C1CC(C)(C)C1)C1CC1	819652321	LFSBKRQWLSOKEA-UHFFFAOYSA-N	196.294	1.548	50	20	ADGD	
CCC1CCC(CNC(=O)NN)CC1	45014857	JCVWRJIPYLPZOA-UHFFFAOYSA-N	199.298	1.376	50	20	ADGD	
N#CSCCCNC(=O)C1CCC1	379354771	JLNMCIPVXVAESX-UHFFFAOYSA-N	198.291	1.507	50	20	ADGD	
Cc1ccc(C(=O)NN=CC(C)C)o1	755767849	MAPDDOIMMMYYLV-UHFFFAOYSA-N	194.234	1.960	50	20	ADGD	
CCCCC=NNC(=O)c1cn[nH]c1	863154825	NHNAYHYAXQXJBS-UHFFFAOYSA-N	194.238	1.316	50	20	ADGD	
CC(C)(C)O[C@@H]1CC(=O)[C@H]1Cl	96034602	IKYZTHDJRYGEJQ-RNFRBKRXSA-N	176.643	1.750	50	20	ADGD	in-vitro
C[C@@H](NC=C(C#N)C#N)c1ccc[nH]1	760228913	MBRWCFCGLRRWKM-MRVPVSSYSA-N	186.218	1.596	50	20	ADGD	
CCOC1CC(=NNC(=O)C2CC2)C1	814700322	REPKLFCQUYKVBZ-UHFFFAOYSA-N	196.250	1.068	50	20	ADGD	
COC(=O)NN=C/C=C/c1ccco1	920361448	NWKKUZDERWOYPL-ZQZXYQASSA-N	194.190	1.635	50	20	ADGD	
CNNC(=O)[C@]1(C)CCC(C)=C(C)C1	1578741320	JGDDFTKPVDWQAR-LLVKDONJSA-N	196.294	1.764	50	20	ADGD	
FCC1=NO[C@@H](CCl)C1	224975441	ABAOOKLQYMNJGS-RXMQYKEDSA-N	151.568	1.340	50	20	ADGD	
N#C/C=C/CSc1nnc(N)s1	306557726	NKRMJYBHTFAGKR-OWOJBTEDSA-N	198.276	1.292	50	20	ADGD	
CC(=O)NN=C1CCC[C@H]1C(C)C	379399679	HKXKESUZTUKOGW-VIFPVBQESA-N	182.267	1.935	50	20	ADGD	
CC(=NNC(=O)C1CC1)c1ccoc1	755871054	CVWUYFRHIRRHAY-UHFFFAOYSA-N	192.218	1.530	50	20	ADGD	
CC1CC(=NNC(=O)c2ccc[nH]2)C1	814778505	JBICALSPEPMGIO-UHFFFAOYSA-N	191.234	1.530	50	20	ADGD	
ClCc1noc(-c2ccncc2)n1	20285314	AERBJSNWLXKMGF-UHFFFAOYSA-N	195.609	1.870	50	20	ADGD	
CCC(=O)NNc1ncccc1F	306361655	PZOBHUMEVDTLBP-UHFFFAOYSA-N	183.186	1.074	50	20	ADGD	
CCC(=O)NN=C1CCO[C@@H](C)C1	308316724	VXWPMICOJLHSJD-ZETCQYMHSA-N	184.239	1.068	50	20	ADGD	
CC(C)N(CC(F)F)C(=O)CCl	393351153	ZYMGIBWKYRASLP-UHFFFAOYSA-N	199.628	1.727	50	20	ADGD	
O=C(CCl)NC1CC(F)(F)C1	575483794	REEJIAYBFVLNQD-UHFFFAOYSA-N	183.585	1.139	50	20	ADGD	
CN(N=C/C=C/c1ccco1)C(N)=O	767905114	VMFNDOSFQQZJIA-MPSAZFEMSA-N	193.206	1.289	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H]1F	872325699	COOCVXGFXUMUBV-LURJTMIESA-N	158.176	1.001	50	20	ADGD	
CC(=O)NN=C(C)c1ccccc1F	916267163	HNQNBOPHALJLFU-UHFFFAOYSA-N	194.209	1.686	50	20	ADGD	
C[Si](C)(CCl)CC(=O)O	198606141	WOTUICGELGDABJ-UHFFFAOYSA-N	166.680	1.557	50	20	ADGD	
Cc1nnc(SC/C=C\C#N)[nH]1	308171324	WVNXTELCTJEGHH-IHWYPQMZSA-N	180.236	1.285	50	20	ADGD	
CCc1ccc(C=NNC(=O)O)o1	827582820	AHAXMHPOVQUUQA-UHFFFAOYSA-N	182.179	1.444	50	20	ADGD	
CSCC(C)(C)NC=C(C#N)C#N	899237481	NJDRMFLHRUGEDL-UHFFFAOYSA-N	195.291	1.649	50	20	ADGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NN	42583112	RGBQDQYEIITAJS-HTQZYQBOSA-N	185.271	1.128	50	20	ADGD	
C=CC[C@@H](C)NS(=O)(=O)CCl	122936535	WXPGWSLSMJGNFT-ZCFIWIBFSA-N	197.687	1.067	50	20	ADGD	
CCn1cccc1/C=C(\C#N)C(=O)O	144255527	KXTLUPPDARTWIP-SOFGYWHQSA-N	190.202	1.500	50	20	ADGD	
CCc1ccc(NC(=O)NN)cc1C	300919522	UBFXCPOWOGCJOW-UHFFFAOYSA-N	193.250	1.553	50	20	ADGD	
CC1(NC=C(C#N)C#N)CCC1	306275169	QIUJBXKPEBCBDK-UHFFFAOYSA-N	161.208	1.450	50	20	ADGD	
C[C@H]1CCCCC1=NN(C)C(N)=O	379410697	GPVRRNLEDMXXSJ-ZETCQYMHSA-N	183.255	1.563	50	20	ADGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NN	841850307	KGZGQOUESACBKN-YUMQZZPRSA-N	199.298	1.374	50	20	ADGD	
CCNC(=O)NN=C(C)c1ccc[nH]1	920828573	NCZXSHMNDNFYPD-UHFFFAOYSA-N	194.238	1.058	50	20	ADGD	
COC1CCC(=NNC(C)=O)CC1	306157472	BXXYNVIJVIMPHW-UHFFFAOYSA-N	184.239	1.068	50	20	ADGD	
NNC(=O)NC(C1CCC1)C1CCC1	306755371	OSLLHPYDFUVWBE-UHFFFAOYSA-N	197.282	1.128	50	20	ADGD	
CC[C@@H]1CC(=NNC(C)=O)CCO1	308395780	DBFDWZOXBCSYCK-SECBINFHSA-N	184.239	1.068	50	20	ADGD	
N#CC(C#N)=CNc1ccccc1CO	747819539	NYYFRJGQBYCIMJ-UHFFFAOYSA-N	199.213	1.522	50	20	ADGD	
CC#CC(=O)NNc1cccc(C#N)c1	801176697	PMHFRJKLFZMRRO-UHFFFAOYSA-N	199.213	1.025	50	20	ADGD	
Cc1ccc(NNC=C(C#N)C#N)cc1	747819606	YVCFSWLHYGKZNI-UHFFFAOYSA-N	198.229	1.843	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CCC[C@H](C)C1	768361772	WIGBTWSMVLDNLR-DTWKUNHWSA-N	197.282	1.728	50	20	ADGD	
C[C@@H]1CC[C@@H](CNC=C(C#N)C#N)C1	794846203	YNBTVZMAEQSCSU-NXEZZACHSA-N	189.262	1.943	50	20	ADGD	
C/C=C/C(=O)NNc1cccc(F)n1	804769554	IUTMEHHOLWEUNS-DUXPYHPUSA-N	195.197	1.240	50	20	ADGD	
CCNC(=O)NN=C[C@@H](C#N)C(C)C	1324298200	JTVIQIYLNBTZHT-MRVPVSSYSA-N	196.254	1.087	50	20	ADGD	
ClC[C@H]1CO[C@H](c2ccoc2)O1	95908489	CFINBEFKAMFHOV-YUMQZZPRSA-N	188.610	1.932	50	20	ADGD	
CCCC(=NNC(N)=O)[C@H]1CC1(C)C	397694085	PGDZVLFTEUZUOK-SSDOTTSWSA-N	197.282	1.857	50	20	ADGD	
CCCCCC[C@H](CC)C(=O)NN	825644995	LVNICCSGISMKAG-VIFPVBQESA-N	186.299	1.973	50	20	ADGD	
COC1(C(C)=NNC(C)=O)CCC1	853257539	FEVQDQHLAZOIHK-UHFFFAOYSA-N	184.239	1.068	50	20	ADGD	
CCC1(NS(=O)(=O)CCl)CC1	307654838	NGSRDKRPKGYTOM-UHFFFAOYSA-N	197.687	1.045	50	20	ADGD	
CC(=NNC(=O)C1CC1)C1CCC1	308330109	KAQPTAYLPKZIIC-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
N[C@H](CCl)c1ccsc1	409442530	WMZYJALPURXBKT-ZCFIWIBFSA-N	161.657	1.987	50	20	ADGD	
CC(=NNC(=O)C(C)C)c1ccoc1	755889273	WGOGJXORYQDICA-UHFFFAOYSA-N	194.234	1.776	50	20	ADGD	
CC/C=C\CNC=C(C#N)C#N	840728969	XTWYFTNAXHEIDS-ARJAWSKDSA-N	161.208	1.473	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(=O)CCO	1319090467	PTFFITOCYKMTLJ-MRVPVSSYSA-N	198.266	1.051	50	20	ADGD	
CCOC=CC(=O)Cl	1857776210	SFMFACMIOWQIPR-UHFFFAOYSA-N	134.562	1.302	50	20	ADGD	
Cc1ccccc1[C@H](C)C(=O)NN	259049206	UYSBCIRFCFOQSS-QMMMGPOBSA-N	178.235	1.088	50	20	ADGD	
Cn1cc(C(=O)Cl)c(C(F)F)n1	34537263	MZGPCLIDFPCPTI-UHFFFAOYSA-N	194.568	1.737	50	20	ADGD	
C[S@](=O)CCCCCl	104731504	HJVWKFAXJLSSAW-MRVPVSSYSA-N	154.662	1.384	50	20	ADGD	
CC1(CNC(=O)NN)CCCCC1	232796207	MKYHMKZKBVMEPY-UHFFFAOYSA-N	185.271	1.130	50	20	ADGD	
N#CC1=CCN(CCF)CC1	307712622	XOQVWIQMCDPDRX-UHFFFAOYSA-N	154.188	1.112	50	20	ADGD	
CNC(=O)NN=C1CCC(C)(C)CC1	735972238	RZHHNQDUGBSGGU-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
C[C@H]1CCCCC1=NNC(=O)CCO	1252567259	IYLWCYODQIMWCG-QMMMGPOBSA-N	198.266	1.051	50	20	ADGD	
CCc1cc2n(CCCl)ccn2n1	409438099	KAXWOFDGPJYDJE-UHFFFAOYSA-N	197.669	1.937	50	20	ADGD	
COC[C@H]1CCCN1C(=O)Cl	204950810	GBUUCSBPNUWUCC-ZCFIWIBFSA-N	177.631	1.456	50	20	ADGD	
CC(C)(C)C(=O)NCC(Cl)Cl	307444273	BRXFSKYWMLKUEM-UHFFFAOYSA-N	198.093	1.952	50	20	ADGD	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)o1	767878379	NBBZIGHOAASTKF-RUDMXATFSA-N	190.202	1.289	50	20	ADGD	
CC(=NNC(=O)O)[C@@H]1CCCOC1	833385298	VPLVXAUFFAGNLC-SSDOTTSWSA-N	186.211	1.057	50	20	ADGD	
CC(C)[C@H](CO)CBr	39617867	NTLIQBKDQYPLFA-LURJTMIESA-N	181.073	1.646	50	20	ADGD	
C[C@H](Br)[C@@H](C)N	83592678	INJIQMGWSVPZFJ-IUYQGCFVSA-N	152.035	1.117	50	20	ADGD	
C[C@@H](CCl)Cc1ccn(C)n1	124607336	QIRHJRTWRHNSFR-SSDOTTSWSA-N	172.659	1.838	50	20	ADGD	
Cc1cccc([C@@H](C)C(=O)NN)c1	259012950	OLFIOCBBOCRZCR-MRVPVSSYSA-N	178.235	1.088	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)CC1CC1	382164361	UMUJKMQVZDCGSV-APPZFPTMSA-N	180.251	1.545	50	20	ADGD	
CCO[C@@H]1CC(=NNC(C)=O)C1(C)C	736428073	FSGIUQFRRILHGV-SECBINFHSA-N	198.266	1.314	50	20	ADGD	
CCC[C@H](C)C(=O)NN(C)C1CC1	819647464	PQPUZSLQFBMXRC-QMMMGPOBSA-N	184.283	1.548	50	20	ADGD	
O=C1CCC[C@@H](CCl)O1	39271259	PKUDWYCCVNMVSF-YFKPBYRVSA-N	148.589	1.321	50	20	ADGD	
C[C@H](CCl)Cc1ccn(C)n1	124607132	QIRHJRTWRHNSFR-ZETCQYMHSA-N	172.659	1.838	50	20	ADGD	
C[C@@H]1CCCC1=NN(C)C(N)=O	379314943	QRBGYSCSOGUSHT-ZCFIWIBFSA-N	169.228	1.173	50	20	ADGD	
CC[C@H](C)C(C)=NNC(=O)C(F)F	388582624	BXEANESZCQQQIM-YFKPBYRVSA-N	192.209	1.790	50	20	ADGD	
C=CCCN/C=C(/C#N)C(=O)OCC	849174185	LUENVKNEYYRCSE-HJWRWDBZSA-N	194.234	1.123	50	20	ADGD	
CCCc1nc(C)c(C(=O)NN)s1	82419528	ZBJGABWYETYSPG-UHFFFAOYSA-N	199.279	1.008	50	20	ADGD	
CCC(=NNC(N)=O)c1ccccc1	252446881	CIRHAKPWVMBBTB-UHFFFAOYSA-N	191.234	1.469	50	20	ADGD	
CC[C@H](C)C(C)=NNC(=O)C1CC1	379385749	VFPMOZNGOLBZOZ-ZETCQYMHSA-N	182.267	1.935	50	20	ADGD	
COC(=O)NN=C1CCCC1(C)C	379395847	CBZOXWQTZVILLR-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
C[C@@H]1COCC1=NNC(=O)C(C)(C)C	884417451	IFXVJNWPQDHVBI-SSDOTTSWSA-N	198.266	1.171	50	20	ADGD	
N#CC(C#N)=CNCCCC(F)F	1332022348	JOEFOPFAOOLLMT-UHFFFAOYSA-N	185.177	1.552	50	20	ADGD	
CC(CCC1CC1)=NNC(=O)N(C)C	768767504	HOCBFSFPGDDJSV-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CCNC(=O)NN=C(CC)[C@@H]1C[C@H]1C	841621060	QYQGCYPXKHDAMT-HTQZYQBOSA-N	197.282	1.728	50	20	ADGD	
CC(C)=CCNC=C(C#N)C#N	306449724	NHESKFDHLDQYIN-UHFFFAOYSA-N	161.208	1.473	50	20	ADGD	
C=CCCC(=NNC(C)=O)C1CC1	308153373	PQZLTGJAVYLYOQ-UHFFFAOYSA-N	180.251	1.855	50	20	ADGD	
COCC(=NNC(=O)C1CC1)C(C)C	741454118	XSOJTOUTOBSQJT-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
COC(=O)NN=C(C)CC(C)(C)C#N	853257443	ABIWFZIRKJJCQG-UHFFFAOYSA-N	197.238	1.658	50	20	ADGD	
ClCCCC[C@@H]1CO1	104716125	VOUIEAZSNLLDLK-ZCFIWIBFSA-N	134.606	1.794	50	20	ADGD	
CN(NC(=O)C=C1CCC1)C1CC1	819649023	BLFPIYDSDMALCL-UHFFFAOYSA-N	180.251	1.222	50	20	ADGD	
CC(C)C(=O)NN=C1CCC[C@@H]2C[C@H]12	841609040	QNMWHFRMAQAJBX-BDAKNGLRSA-N	194.278	1.935	50	20	ADGD	
CN(N)C(=O)C1=CCCCCC1	1573877277	MFPKBROIWQKPSY-UHFFFAOYSA-N	168.240	1.209	50	20	ADGD	
Cn1cc(F)c(CCl)n1	226017015	KXYAHWCUQBHZOR-UHFFFAOYSA-N	148.568	1.298	50	20	ADGD	
CCC(C[C@H](C)CC)=NNC(N)=O	252453583	OIBFUBROYDPYMI-SSDOTTSWSA-N	185.271	1.857	50	20	ADGD	
CC(CC1CCC1)=NNC(N)=O	252741772	JAIIAJICXLXAJK-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
COc1cccc([C@H](N)CCl)c1	259449339	QIMKGKFADCSNGQ-SECBINFHSA-N	185.654	1.934	50	20	ADGD	
COC(=O)NN=Cc1scnc1C	379420191	ZWOCUISLFVELNE-UHFFFAOYSA-N	199.235	1.141	50	20	ADGD	
CCC(=O)NN=C(C)c1occc1C	767748674	IQQDLWOWXGIVTI-UHFFFAOYSA-N	194.234	1.838	50	20	ADGD	
CCCS(=O)(=O)CCCCCl	32009739	MBBVPRRMTDCFEO-UHFFFAOYSA-N	198.715	1.830	50	20	ADGD	
CO[C@H]1CCC[C@@H]1Br	32218589	HNBGZVCNAAUYAD-WDSKDSINSA-N	179.057	1.949	50	20	ADGD	in-vitro
CCO/C=C(\C#N)C(=O)N1CCCC1	746507494	UDDPVBWCCZRSTD-CMDGGOBGSA-N	194.234	1.053	50	20	ADGD	
CC(C)(C)N(CC(=O)Cl)N=O	2048529689	YEHKEWQAQSLHAD-UHFFFAOYSA-N	178.619	1.534	50	20	ADGD	
C[C@H](N)[C@@H](C)Br	83592671	INJIQMGWSVPZFJ-DMTCNVIQSA-N	152.035	1.117	50	20	ADGD	
CCCCC(CC)=NN(C)C(N)=O	379396073	CIIDNSLQILHTLO-UHFFFAOYSA-N	185.271	1.953	50	20	ADGD	
ClCc1cn(-c2ccncc2)nn1	409440646	LWCKTKXMFULAAJ-UHFFFAOYSA-N	194.625	1.401	50	20	ADGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NN	841850304	KGZGQOUESACBKN-HTQZYQBOSA-N	199.298	1.374	50	20	ADGD	
CC1(CNC(=O)NN)CCCCCC1	841870260	HTABOHQICZWSSE-UHFFFAOYSA-N	199.298	1.520	50	20	ADGD	
Cc1nn(C)c(C)c1C(=O)CCl	58520519	GHRHARDUUXVWPG-UHFFFAOYSA-N	186.642	1.458	50	20	ADGD	
NNC(=O)c1sccc1C1CC1	306212591	KMKVZLWVJKHZDN-UHFFFAOYSA-N	182.248	1.229	50	20	ADGD	
CCCCC(CC)=NNC(=O)NC	308436403	WUSDTLIMLCCVNX-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
COC(=O)NN=C(C)COC(C)C	388626453	JEHAIWZMNHSBRJ-UHFFFAOYSA-N	188.227	1.143	50	20	ADGD	
CCNC(=O)N(C)N=CC1CCCC1	769592227	BEAMEPOFLJWNQI-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
NNC(=O)[C@H](c1ccccc1)C1CC1	825652434	SESBUHJWLQYCBY-SNVBAGLBSA-N	190.246	1.170	50	20	ADGD	
N#CC(C#N)=CNC/C=C\C1CC1	1118006630	LWEKPSCUGHJHML-UPHRSURJSA-N	173.219	1.473	50	20	ADGD	
Cl[C@@H]1C=CNc2[nH]ncc21	100395554	RXYRAWLCKGEBEY-RXMQYKEDSA-N	155.588	1.629	50	20	ADGD	
O=C(CCCl)N1CCC[C@@H](F)C1	409423447	OFBZHSGNDVAPSE-SSDOTTSWSA-N	193.649	1.576	50	20	ADGD	
CC(=NNC(=O)c1ccc[nH]1)C(C)C	725854076	DXVNEPDNXYQWHT-UHFFFAOYSA-N	193.250	1.776	50	20	ADGD	
CC1=CC(=NNC(=O)NC(C)C)CC1	745012373	JHJGYJRCIGJHHW-UHFFFAOYSA-N	195.266	1.790	50	20	ADGD	
C[C@H]1SCC[C@@H]1NC=C(C#N)C#N	843264388	OLKFBCXSHWHZDU-APPZFPTMSA-N	193.275	1.401	50	20	ADGD	
C[C@H](Cc1ccccc1)C(=O)N(C)N	1574105038	XDZYUSZEILIJCQ-SECBINFHSA-N	192.262	1.197	50	20	ADGD	
CCCC(=O)NCCCSC#N	307980171	OGKUXAFCMZRBTC-UHFFFAOYSA-N	186.280	1.507	50	20	ADGD	
C=CCCC(C)=NNC(=O)N(C)C	308379017	UBPMLEMOJITMLE-UHFFFAOYSA-N	183.255	1.600	50	20	ADGD	
CC(=O)NN=C1CC[C@H]1C1CCC1	382162685	TYVDRKDYBXNUIB-VIFPVBQESA-N	180.251	1.689	50	20	ADGD	
CCC/C=C\C(=O)NN(C)C1CC1	819643655	IVDKKTKQDLVEKV-WAYWQWQTSA-N	182.267	1.468	50	20	ADGD	
CCCC(=O)NCCSSC	168280175	VHBKVFCIWNQUCT-UHFFFAOYSA-N	193.337	1.914	50	20	ADGD	
CC1(C)CCC[C@H](C=NNC(N)=O)C1	752712905	FZSVZLMQLUYOFU-QMMMGPOBSA-N	197.282	1.857	50	20	ADGD	
C[C@@H]1CC[C@H](C(=O)NN(C)C2CC2)C1	819650205	HDMLNNTYOFSHRV-BDAKNGLRSA-N	196.294	1.548	50	20	ADGD	
CCC(=NNC(=O)OC)[C@H]1C[C@H]1C	841605564	PVDXPDLJTBKGNV-RQJHMYQMSA-N	184.239	1.764	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@@H](C)C1	920829013	WGUWCTFOKYWNRE-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
F[C@H]1OCCC[C@@H]1Br	196702184	PXFAXLVYXPNKEY-WHFBIAKZSA-N	183.020	1.856	50	20	ADGD	
C[C@@H]1CCC[C@H](C=NNC(N)=O)C1	252677003	PPKHICXCXWLUSJ-SFYZADRCSA-N	183.255	1.467	50	20	ADGD	
O=C(CCl)N1CC[C@@H]2C[C@H]2C1	575499285	IRDGSRNBBADMPU-RQJHMYQMSA-N	173.643	1.094	50	20	ADGD	
C[C@H](CC1CCCCC1)NC(=O)NN	694689736	JKYSEWRSEIVFAC-MRVPVSSYSA-N	199.298	1.518	50	20	ADGD	
C=CC[C@@H](C)C(C)=NNC(=O)N(C)C	727778888	SGSWPUFUBHGAFM-MRVPVSSYSA-N	197.282	1.846	50	20	ADGD	
Cc1ncc(NC=C(C#N)C#N)cn1	728501337	JVSLOULGDOEWJU-UHFFFAOYSA-N	185.190	1.128	50	20	ADGD	
CC(C)C=NNC(=O)c1cccn1C	755610739	CBVCZSXSPWMCIF-UHFFFAOYSA-N	193.250	1.397	50	20	ADGD	
CCCCC(=O)NNc1ccccn1	777473076	WETSECVMHHUZJU-UHFFFAOYSA-N	193.250	1.715	50	20	ADGD	
COC(=O)c1ccncc1CCl	215768309	RNGBTNPDWBRNOB-UHFFFAOYSA-N	185.610	1.607	50	20	ADGD	
COc1ccc([C@H](N)CCl)cc1	259397029	NXVGSOHQDANBDX-SECBINFHSA-N	185.654	1.934	50	20	ADGD	
O=CC1(CCCl)CCC1	306761193	YXERLTKSCZBRQV-UHFFFAOYSA-N	146.617	1.985	50	20	ADGD	
CC[C@H](Cl)C(=O)N(C)CCOC	409425749	BFPLCXZLHGVILA-ZETCQYMHSA-N	193.674	1.109	50	20	ADGD	
Cc1ccc(C=NNC(=O)C(C)C)o1	916328154	YKYKDZKKJRSAGK-UHFFFAOYSA-N	194.234	1.694	50	20	ADGD	
CC(C)(C)c1cccc(C(=O)NN)c1	202400232	HQXDVAPAVKAEPM-UHFFFAOYSA-N	192.262	1.588	50	20	ADGD	
CCC(=O)NN=Cc1nccs1	378847816	BDBCJVWYEJSTIS-UHFFFAOYSA-N	183.236	1.003	50	20	ADGD	
CC1(C)CC(CNC=C(C#N)C#N)C1	780147958	OHQQPNUTISITFL-UHFFFAOYSA-N	189.262	1.943	50	20	ADGD	
Cc1cc[nH]c1C(=O)NN(C)C1CC1	819652465	QQWNGXOERINNPS-UHFFFAOYSA-N	193.250	1.062	50	20	ADGD	
CC(C)(C)c1ncsc1C(=O)NN	82438432	PJLBUXXIBYUHGJ-UHFFFAOYSA-N	199.279	1.044	50	20	ADGD	
O=C=NCCCCCCC(=O)O	118421660	ZNXXHLDTVXAKPZ-UHFFFAOYSA-N	171.196	1.357	50	20	ADGD	
CC(C)=NNC(=O)C1CCCC1	306452695	WCPCLMNEVLYCER-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
Cc1ccccc1C=NN(C)C(N)=O	767911781	YQWTVXIPHHAHFM-UHFFFAOYSA-N	191.234	1.339	50	20	ADGD	
Cc1ccc(NC=C(C#N)C#N)nc1	196197039	PROVHKGDCRANBB-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
CC(=O)NN=C1C[C@@H](C)C[C@H](C)C1	306650548	FPDYQQWOJGQZQU-YUMQZZPRSA-N	182.267	1.935	50	20	ADGD	
COC(=O)N(C)N=CC(C)C	307932539	WEHJBTPCRILZEV-UHFFFAOYSA-N	158.201	1.326	50	20	ADGD	
CCC(=NNC(N)=O)C1CCCC1	308038640	ZYXQOPBQVFIGDV-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
CCNC(=O)NN=C1CC[C@@H]1CC	379411532	IJKIYHZOCXBMJL-ZETCQYMHSA-N	183.255	1.482	50	20	ADGD	
CCOCC(=O)NN=C1CC[C@@H](C)C1	814842130	STNUUIFEURDDJW-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
C/C(N)=C(\C#N)c1nc(C)c(C)s1	853004584	VHPAUAKBBXOXNV-YVMONPNESA-N	193.275	1.973	50	20	ADGD	
F[C@@H]1COC[C@@H]1Br	1537958156	AWZMROPNYAMGRQ-IUYQGCFVSA-N	168.993	1.118	50	20	ADGD	
CCC(C)=NNC(=O)C1CC1	254399078	QIPHLFVLFAONJB-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
C=CCCC(=O)NNc1ccccn1	777471615	QTBBCDFGFDDPFX-UHFFFAOYSA-N	191.234	1.491	50	20	ADGD	
CCCn1cccc1C=NNC(C)=O	918153572	GTLIREXMUZYYCL-UHFFFAOYSA-N	193.250	1.368	50	20	ADGD	
CC(=O)Oc1ccc([N+](=O)[O-])cc1F	136790776	IYIKOSPRDLRAQK-UHFFFAOYSA-N	199.137	1.659	50	20	ADGD	
CC1(C)CNC(=O)[C@@H](Cl)C1	142686876	JGRLFNQZUOIYAX-YFKPBYRVSA-N	161.632	1.140	50	20	ADGD	
C/C(=C/C(=O)NN)c1ccccc1	144963758	VBMPXMYYLMWRRI-FPLPWBNLSA-N	176.219	1.080	50	20	ADGD	
CCCCC=NNC(=O)NCC1CC1	755668842	SATDBOWOQGDYSQ-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
O=C(NNc1ccccc1)[C@H]1C[C@H]1F	1348450775	BTDDFBGEOBCKTF-DTWKUNHWSA-N	194.209	1.488	50	20	ADGD	
CCCCNC=C(C#N)C#N	306925987	OKGBTQFPPXMMHZ-UHFFFAOYSA-N	149.197	1.307	50	20	ADGD	
CCC(=O)NN=Cc1ncccc1C	781576470	TYSHFLXWGJAPTB-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
COC(=O)NN=Cc1ccccc1F	916268829	YKXCRPDJEWQNQA-UHFFFAOYSA-N	196.181	1.516	50	20	ADGD	
C[C@H]1C[C@H]1C(=O)NCC(Cl)Cl	307183058	OVLXJHBJVLAHKN-CRCLSJGQSA-N	196.077	1.562	50	20	ADGD	
CCCC(=O)NN=c1cc[nH]c(C)c1	862508260	MLUTVAHGTOEDRN-UHFFFAOYSA-N	193.250	1.055	50	20	ADGD	
C=CC(C)(C)CC(=O)NN(C)C1CC1	880347239	WUOKVVUJYLDWNK-UHFFFAOYSA-N	196.294	1.714	50	20	ADGD	
COCC1CCN(C(=O)Cl)CC1	86894367	XYNZTKRSIAHQRY-UHFFFAOYSA-N	191.658	1.704	50	20	ADGD	
CNC(=S)NCCSSC	307710256	OZJDPECKSWEQFC-UHFFFAOYSA-N	196.366	1.092	50	20	ADGD	
CCCCCC=NNC(=O)OC	308044560	OTVQNGGEFCOHKK-UHFFFAOYSA-N	172.228	1.909	50	20	ADGD	
CCC#C[C@@H](C)N1CC=C(C#N)CC1	779587655	RBZKJYCCFPTDRA-LLVKDONJSA-N	188.274	1.944	50	20	ADGD	
N#C[C@H](O)c1ccccc1F	100092776	SDADKJCPTQNFRZ-QMMMGPOBSA-N	151.140	1.383	50	20	ADGD	
CCCNC(=O)NN=C[C@H]1C[C@@H]1C	382022264	OPIZBQQOPPZBRP-JGVFFNPUSA-N	183.255	1.337	50	20	ADGD	
CC(=O)NN=C1CCCC[C@@H]1C	388508487	PWBOPQRLBQBCBG-ZETCQYMHSA-N	168.240	1.689	50	20	ADGD	
CN(N=C[C@H]1C[C@H]2CC[C@H]1C2)C(N)=O	762433259	CLXYPMFVXPLDIS-XHNCKOQMSA-N	195.266	1.419	50	20	ADGD	
C[C@@H]1CCC[C@H](C=NN(C)C(N)=O)C1	768367009	LFXBJIMLFSJHBI-BDAKNGLRSA-N	197.282	1.809	50	20	ADGD	
CC(C)(O)C(=O)NN=C1CCC1(C)C	789050618	IKPPHFWCEVOTBL-UHFFFAOYSA-N	198.266	1.050	50	20	ADGD	
N#Cc1ccc(C=NNC(=O)O)s1	831122817	STAKHUNWURFKGJ-UHFFFAOYSA-N	195.203	1.221	50	20	ADGD	
CC1=C(C(=O)NN(C)C2CC2)CCC1	819649819	YOYQLKSMBNLHID-UHFFFAOYSA-N	194.278	1.612	50	20	ADGD	
O=C=NCc1c(F)cccc1F	15442300	ANZODEWQMRPONA-UHFFFAOYSA-N	169.130	1.801	50	20	ADGD	
Cc1cnccc1NC(=O)CCl	82523243	QUKKDIVGHWYPBB-UHFFFAOYSA-N	184.626	1.567	50	20	ADGD	
O=[S@](Cl)C[C@H]1CCCO1	306744900	ZBRHUOBNFUMRIE-ANLVUFKYSA-N	168.645	1.068	50	20	ADGD	
Cc1ccoc1C=NNC(=O)N(C)C	743437835	XNVZZWIUZNMAPF-UHFFFAOYSA-N	195.222	1.193	50	20	ADGD	
CCCOC(=O)C1(N=C=O)CCCC1	88613719	LTKAEOPWSKIQMC-UHFFFAOYSA-N	197.234	1.588	50	20	ADGD	
CC(=O)NN=C(C)Cc1ccsc1	308132140	BPLGCYDCGSUMCZ-UHFFFAOYSA-N	196.275	1.803	50	20	ADGD	
COC(=O)N(C)N=CCC(C)C	307974664	JVMFIBQCTKDMMC-UHFFFAOYSA-N	172.228	1.717	50	20	ADGD	
COC(=O)N(C)N=C1CCC[C@@H]1C	308471840	KRXNUXOUINSXEG-ZETCQYMHSA-N	184.239	1.861	50	20	ADGD	
CC(=NNC(=O)N(C)C)c1ccc[nH]1	745605330	OYTZDNZJXYTSPS-UHFFFAOYSA-N	194.238	1.010	50	20	ADGD	
CNC(=O)NN=C1CC[C@@H]1C1CCC1	814814454	LUYNEGDSFAMOEJ-MRVPVSSYSA-N	195.266	1.482	50	20	ADGD	
FC(F)C1=NO[C@H](CCl)C1	224977943	QAGZCAMLPJMDHK-VKHMYHEASA-N	169.558	1.635	50	20	ADGD	
CSCCCN1CC=C(C#N)CC1	379377782	YWJSAQUXHZMNLO-UHFFFAOYSA-N	196.319	1.895	50	20	ADGD	
Cc1ccc(/C=C(/C#N)C(=O)O)cn1	157326606	UPGGPGTYGUZNAQ-WTKPLQERSA-N	188.186	1.382	50	20	ADGD	
CCCN1C[C@@H](CCl)OC1=O	70587776	MJCSJPVJMYLHFN-ZCFIWIBFSA-N	177.631	1.456	50	20	ADGD	
NNC(=O)C[C@H]1CCc2ccccc21	306553448	DRDYMKVJZRYOBH-SECBINFHSA-N	190.246	1.096	50	20	ADGD	
Cc1cc(CNC=C(C#N)C#N)no1	920394418	NSOISICAUZFLOR-UHFFFAOYSA-N	188.190	1.004	50	20	ADGD	
COC(=O)N(C)N=C(C)C	306480880	JDMVEVGXZLGNDU-UHFFFAOYSA-N	144.174	1.080	50	20	ADGD	
CCOC(=O)NN=C(C)CC1CC1	388777052	ILRHCLQAMINYAY-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
CCCCN/C=C(\C#N)C(=O)OCC	730942424	BANFMODLGKNIHB-CMDGGOBGSA-N	196.250	1.347	50	20	ADGD	
CC(C)(C)CC(=O)NN=C1CCOC1	731926847	SRMKCRSRCVSHCB-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C/C=C(/C=C\C(=O)NNC(C)=O)CC	822163998	PAUNEWIAYDOCMG-WSISTYIOSA-N	196.250	1.066	50	20	ADGD	
COC(=O)NN=C1CCC[C@@H]2C[C@H]12	841606087	YHCPQSFPWIAHEC-RQJHMYQMSA-N	182.223	1.518	50	20	ADGD	
CNC(=O)NN=Cc1ccccc1F	920379231	QYFLGAXBIMTWIO-UHFFFAOYSA-N	195.197	1.089	50	20	ADGD	
CC(C)C[N@@]1C[C@@H]1CBr	1857775815	JMBBTMPWVWSGOY-CBAPKCEASA-N	192.100	1.722	50	20	ADGD	
CCCNC(=O)NN=C1CC(C)C1	307379586	YZCZUZYASQNQEX-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC1(C)CCC(=NNC(=O)CO)CC1	776780310	ZIYSDHBEOHKWSX-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CNC(=O)NN=C1CC[C@@H](C)C[C@H]1C	783833368	XOQWJCFCTCHIHX-HTQZYQBOSA-N	197.282	1.728	50	20	ADGD	
N#CC(C#N)=CNCc1ccccn1	232683492	RHCFFUKKPYBHFS-UHFFFAOYSA-N	184.202	1.102	50	20	ADGD	
CNC(=O)/C(C#N)=C/c1ccsc1	307048442	CAXKYJQWMPGEDQ-XBXARRHUSA-N	192.243	1.401	50	20	ADGD	
CC(=O)NN=C1CC[C@@H](C)[C@@H](C)C1	308143731	AIDKPMVFTZGZPK-SFYZADRCSA-N	182.267	1.935	50	20	ADGD	
CCC[C@@H](CC1CCCC1)C(=O)NN	843450516	HENZNLUPLLDPPF-JTQLQIEISA-N	198.310	1.973	50	20	ADGD	
Cc1cc(/C=C(/C#N)C(=O)O)c(C)o1	306484905	HWLLYEZUALLSJQ-WTKPLQERSA-N	191.186	1.888	50	20	ADGD	
O=C(NN=C1CCCCC1)C(F)F	307734207	UWWSWWFVFGOBPT-UHFFFAOYSA-N	190.193	1.688	50	20	ADGD	
CC(C)C[C@H](C)C=NNC(N)=O	379312787	BSCQSWODGYXRHS-ZETCQYMHSA-N	171.244	1.323	50	20	ADGD	
BrC[C@H]1C[N@]1CC1CC1	1857775808	APIRZHDGBPSPDT-CBAPKCEASA-N	190.084	1.476	50	20	ADGD	
COc1ccc(C=NNC(C)=O)cc1	254682200	BYSJEFITJBIEOK-UHFFFAOYSA-N	192.218	1.165	50	20	ADGD	
C[C@@H]1CC[C@H](C=NNC(N)=O)C1	307887613	WXOWEPSEVYBZDH-RQJHMYQMSA-N	169.228	1.077	50	20	ADGD	
CC(Cc1cccs1)=NNC(N)=O	308344357	UDNOCMWWCVFZJN-UHFFFAOYSA-N	197.263	1.335	50	20	ADGD	
C/C=C\C(=O)NCCCSC#N	854364007	WOEVZTGUKBMNOF-RQOWECAXSA-N	184.264	1.283	50	20	ADGD	
CC(C)=NNC(=O)c1ccc(C)o1	5618447	PBUYOTPUEXBELB-UHFFFAOYSA-N	180.207	1.714	50	20	ADGD	
FC1(F)COC[C@H]1Br	1879941319	WBTVBJACTVGHNQ-GSVOUGTGSA-N	186.983	1.415	50	20	ADGD	
CCC(=O)NN=Cc1cncs1	379311744	QFZILXLQWXYJMT-UHFFFAOYSA-N	183.236	1.003	50	20	ADGD	
C[C@H]1CC[C@@H](C=NNC(N)=O)C1	379316116	WXOWEPSEVYBZDH-NKWVEPMBSA-N	169.228	1.077	50	20	ADGD	
CC[C@@H](Cl)C(=O)N(C)C	5924277	UCELCVSCXNSTPP-RXMQYKEDSA-N	149.621	1.092	50	20	ADGD	
CCO[C@@H]1COC[C@H]1Br	157960303	XNDSMJKCILMBFY-PHDIDXHHSA-N	195.056	1.185	50	20	ADGD	
O=[S@](Cl)CCC1CC1	306800196	OFIPSQXUPMITJY-QMMMGPOBSA-N	152.646	1.689	50	20	ADGD	
Cc1nnc(CCCCl)n1C	307194086	IBBNRIQMEKSQCL-UHFFFAOYSA-N	173.647	1.295	50	20	ADGD	
C[C@@H](Cl)[S@@](=O)Cl	196534079	QTHCWFBWPNLYHS-LBNWCAIBSA-N	147.026	1.474	50	20	ADGD	
CCCC(CC)=NNC(=O)OC	307975228	KJRNSOBONIFKAE-UHFFFAOYSA-N	172.228	1.909	50	20	ADGD	
Cc1ccccc1[C@H](C)CC(=O)NN	825645107	PWAXQWFBQMTUEL-SECBINFHSA-N	192.262	1.479	50	20	ADGD	
CC[C@H](NC=C(C#N)C#N)C(F)F	840728248	VDBWVSMGRVPYOO-ZETCQYMHSA-N	185.177	1.551	50	20	ADGD	
COC(=O)NN=C1CCC[C@H]1F	872326448	JKXUUDGXTUOBHO-RXMQYKEDSA-N	174.175	1.220	50	20	ADGD	
NNC(=O)c1ccccc1C(F)F	1580358772	WPFJJMJPHASKJM-UHFFFAOYSA-N	186.161	1.228	50	20	ADGD	
N#CC(C#N)=Cc1cccc(C(=O)O)c1	44250308	YSNHHQSTWHFNGV-UHFFFAOYSA-N	198.181	1.815	50	20	ADGD	
C[C@@]1(CCl)CCOC1	85045765	PKEDMWYHMXGAPF-LURJTMIESA-N	134.606	1.652	50	20	ADGD	
CCOC(=O)NN=C1CC[C@H](C)C1	378872012	QAKPOOMRZCLAMP-ZETCQYMHSA-N	184.239	1.909	50	20	ADGD	
O=[S@](Cl)CCl	104735303	HNWFBZCOPDCZBW-RXMQYKEDSA-N	132.999	1.085	50	20	ADGD	
CC[C@H](Cc1ccccc1)C(=O)NN	825644992	LMKWKWMSYPNLJC-SNVBAGLBSA-N	192.262	1.245	50	20	ADGD	
O=C(CCO)NN=C1CCCCCC1	1318931900	RBCIVXPOQPYUBO-UHFFFAOYSA-N	198.266	1.195	50	20	ADGD	
C[C@@H]1C[C@@H]1CCl	57385893	QSOLBSRMEMQEGA-RFZPGFLSSA-N	104.580	1.881	50	20	ADGD	
CC(C)C(=O)NN=Cc1cncs1	379413351	LTHBQMVFDCLVRG-UHFFFAOYSA-N	197.263	1.249	50	20	ADGD	
CSC(C)(C)CC=NNC(N)=O	382387297	LADGKCMEZWNJOA-UHFFFAOYSA-N	189.284	1.172	50	20	ADGD	
Cc1ccc(C)c(C=NNC(N)=O)c1	252447406	KCZBDWYKFPRZCL-UHFFFAOYSA-N	191.234	1.306	50	20	ADGD	
CCC(C)(C)CNC=C(C#N)C#N	306767129	XPYAWRCRCSYCKP-UHFFFAOYSA-N	177.251	1.943	50	20	ADGD	
NC(=O)NN=CCC1CCCCC1	388304151	ZJUUZOWPBGJGGJ-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
C=CCCCC[C@@H](C)B(O)O	514251022	WQBSNFLAZILDJT-MRVPVSSYSA-N	156.034	1.596	50	20	ADGD	
CCC(=NNC(=O)OC)[C@H]1C[C@@H]1C	841605559	PVDXPDLJTBKGNV-BQBZGAKWSA-N	184.239	1.764	50	20	ADGD	
COC[C@@H](NC(=O)CCl)C(C)C	83398403	YJKTWHFYNKPAKC-SSDOTTSWSA-N	193.674	1.012	50	20	ADGD	
O=C(NCC(Cl)Cl)C1CC1	307013373	NQVFRQRVCFYCMD-UHFFFAOYSA-N	182.050	1.316	50	20	ADGD	
C[C@@H](CN=C=O)c1cc(C2CC2)on1	716320270	ROTVRRJBWSJLRR-ZETCQYMHSA-N	192.218	1.991	50	20	ADGD	
CC(C)C(=NNC(=O)N(C)C)C1CC1	750936316	QBQNKXRQLUGAKN-UHFFFAOYSA-N	197.282	1.680	50	20	ADGD	
CC(C)C(=O)NN=C1CCC[C@H]2C[C@@H]12	800807270	QNMWHFRMAQAJBX-DTWKUNHWSA-N	194.278	1.935	50	20	ADGD	
CCC1(C(=O)NNC(C)=O)CCCC1	822163960	OIVHDQKJIWDLLT-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
C[C@H]1CCCCCC1=NNC(=O)CO	844590936	XEZZVMJMIHSUKM-QMMMGPOBSA-N	198.266	1.051	50	20	ADGD	
C/C(=C\C(=O)NN)c1ccccc1	144963552	VBMPXMYYLMWRRI-BQYQJAHWSA-N	176.219	1.080	50	20	ADGD	
C[C@H]1CCCC(=NNC(N)=O)[C@H]1C	252474147	ZIRMCSGQIXSNSV-BQBZGAKWSA-N	183.255	1.467	50	20	ADGD	
O=[S@](Cl)C1CCCC1	306788928	SHAJKLLYTUJIOY-QMMMGPOBSA-N	152.646	1.832	50	20	ADGD	
C/C=C/C(=O)NCC(Cl)Cl	307065056	SOKIZUKSFBCMGN-NSCUHMNNSA-N	182.050	1.482	50	20	ADGD	
C[C@@H](CCl)Cc1csnn1	307645596	ZMUFQNOVACUNJT-RXMQYKEDSA-N	176.672	1.956	50	20	ADGD	
CC(=O)NN=C1CCC1(C)C	307906361	RSMMFTRZLCQENV-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
Cc1cc(Cl)ccc1C(=O)N(C)N	606272812	YHACGPXXUMCJPP-UHFFFAOYSA-N	198.653	1.594	50	20	ADGD	
CC(=NNC(=O)O)c1nccs1	736124395	BOTWIBOWHAUCPN-UHFFFAOYSA-N	185.208	1.135	50	20	ADGD	
CC(C)CC(=O)NN=Cc1ccc[nH]1	916342868	SANBIOFGUXPALK-UHFFFAOYSA-N	193.250	1.511	50	20	ADGD	
CC(C)N1CCO[C@H](CCl)C1	39308472	PBMGKUKINJVKRC-MRVPVSSYSA-N	177.675	1.334	50	20	ADGD	in-vitro
O=[S@@](Cl)CCl	104735300	HNWFBZCOPDCZBW-YFKPBYRVSA-N	132.999	1.085	50	20	ADGD	
CC[C@H](C)C=NNC(=O)C(F)F	308063697	XOIWPDZOKZXIFQ-YFKPBYRVSA-N	178.182	1.400	50	20	ADGD	
NC(=O)NN=C[C@H]1C[C@H]2CC[C@H]1C2	388304145	YCZCRBDGZBZLFI-BIIVOSGPSA-N	181.239	1.077	50	20	ADGD	
CC1(C(=O)NCC(Cl)Cl)CC1	816605403	WSPFHBGFNMCTNK-UHFFFAOYSA-N	196.077	1.706	50	20	ADGD	
CC(=O)NN=C1C[C@H](C)C[C@@H](C)C1	306650543	FPDYQQWOJGQZQU-HTQZYQBOSA-N	182.267	1.935	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1CCCS1	307230704	ASQODSSKTVPBQE-SECBINFHSA-N	193.275	1.403	50	20	ADGD	
CC[C@@H](C)C(C)=NNC(=O)N(C)C	308305763	OHGCNRBDPXBHRW-SSDOTTSWSA-N	185.271	1.680	50	20	ADGD	
CC(=O)NNC(=O)/C=C(/C)C(C)(C)C	762784671	NPBDHBDSRPSMRR-SREVYHEPSA-N	198.266	1.146	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CC[C@@H](C#N)C1	818997123	SEELHCMFYWLARN-SCZZXKLOSA-N	186.218	1.199	50	20	ADGD	
CN(NC(=O)[C@@]12CCC[C@@H]1C2)C1CC1	823245736	UARAWWPEOLKNGO-LDYMZIIASA-N	194.278	1.302	50	20	ADGD	
Cc1sccc1C=NN(C)C(N)=O	378848906	CIODTVUDQUEEMH-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
C=CCCC(CCC)=NNC(=O)CO	814896162	LWVMTFCEJCNSMC-UHFFFAOYSA-N	198.266	1.217	50	20	ADGD	
C[C@@H](CCl)Cc1ncnn1C	85044184	HFLBUSPLMREODE-ZCFIWIBFSA-N	173.647	1.233	50	20	ADGD	
C[C@H]1CC[C@@H](C)C(=NNC(N)=O)C1	252473863	XQQANDOXAUCIEF-NKWVEPMBSA-N	183.255	1.467	50	20	ADGD	
N#CC1=CCN(C[C@@H]2CCOC2)CC1	779586539	YPUKQLZQNGSSMB-NSHDSACASA-N	192.262	1.179	50	20	ADGD	
CCCC(=O)NNc1ccnc(F)c1	781362082	DQZCWSZBGLWRKK-UHFFFAOYSA-N	197.213	1.464	50	20	ADGD	
C[C@@H]1C[C@H]1C(=O)NNc1ccccc1	787134179	VTVPHANYYHXMLN-PSASIEDQSA-N	190.246	1.786	50	20	ADGD	
CCOC(=O)c1cncc(CCl)c1	95093459	NYTDTJGQDNQIDV-UHFFFAOYSA-N	199.637	1.997	50	20	ADGD	
CCNC(=O)NN(C)c1ccccc1	232614339	OQTJTWPQKLMSNB-UHFFFAOYSA-N	193.250	1.357	50	20	ADGD	
N#CC1=CCN(Cc2ccccn2)CC1	259116635	GUZPWDCLHCHGCZ-UHFFFAOYSA-N	199.257	1.737	50	20	ADGD	
CC(C)(C)C=NNC(=O)C1CCC1	308161197	VFGNNXPMFNSLPG-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CNC(=O)NN=C(C)CCC(C)C	308506488	ZJCPRZUTDADWNE-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
CC[C@H]1CCCC1=NNC(=O)NC	379371808	IKOAWIZIPWPOGZ-ZETCQYMHSA-N	183.255	1.482	50	20	ADGD	
C[C@@H](CN=C=O)c1ccon1	716321656	ZWJOQYKQIMATSH-LURJTMIESA-N	152.153	1.114	50	20	ADGD	
NC(=O)N(CCCl)c1cccnc1	82046462	RPIMKPCVGCFMQR-UHFFFAOYSA-N	199.641	1.206	50	20	ADGD	
CCCC(=O)NNc1cc(C)ccn1	755844190	VSSUCUBDOYFKSB-UHFFFAOYSA-N	193.250	1.633	50	20	ADGD	
CC(C)(CNC(=O)NN)C1=CCCC1	841915079	LJUSCOHNMNGCNX-UHFFFAOYSA-N	197.282	1.296	50	20	ADGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NN	843450477	APYXIKIJUKWIDV-NKWVEPMBSA-N	170.256	1.049	50	20	ADGD	
O=C(CC1CC1)NN=C1CCC[C@@H]1F	872379439	YNLQQXQXHOISSM-QMMMGPOBSA-N	198.241	1.781	50	20	ADGD	
F[C@H]1COC[C@H]1Br	1537958154	AWZMROPNYAMGRQ-DMTCNVIQSA-N	168.993	1.118	50	20	ADGD	
[C-]#[N+]CCOC(C)(C)C	95686579	LOPSGASRLSDPSD-UHFFFAOYSA-N	127.187	1.721	50	20	ADGD	
CSSCCN[C@H](C)[C@H](C)O	397759719	HQAGSPNUEUHPJA-RQJHMYQMSA-N	195.353	1.357	50	20	ADGD	
CCO/C=C(/C#N)C(=O)NCC(C)C	746510712	JIXCHJOTVWJMKS-CLFYSBASSA-N	196.250	1.203	50	20	ADGD	
CN(N)C(=O)CC1(C)CCCCC1	1573877054	AGHOBPCSFYRYJC-UHFFFAOYSA-N	184.283	1.679	50	20	ADGD	
O=[S@](Cl)CCCCl	104717025	DYUXKYMOAGRODF-SSDOTTSWSA-N	161.053	1.518	50	20	ADGD	
CC(=NNC(N)=O)C1C(C)(C)C1(C)C	254645443	NIBVWGUXPKNPDM-UHFFFAOYSA-N	197.282	1.713	50	20	ADGD	
O=[S@@](Cl)C[C@@H]1CCCO1	306744903	ZBRHUOBNFUMRIE-SSDLBLMSSA-N	168.645	1.068	50	20	ADGD	
O=C(NN=CCCC1CC1)C(F)F	379355561	AKAKSIKPJMUUPG-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
O=C(NNc1ccccc1)[C@@H]1C[C@@H]1F	1348450749	BTDDFBGEOBCKTF-BDAKNGLRSA-N	194.209	1.488	50	20	ADGD	
CC(C)=NNC(=O)c1ccccc1F	5382943	PCMOWDZOMLNUAQ-UHFFFAOYSA-N	194.209	1.951	50	20	ADGD	
O=C(NN=C1CCCOCC1)C1CC1	770595366	QSGGGJTVJPDBDE-UHFFFAOYSA-N	196.250	1.069	50	20	ADGD	
CCC[C@@H](C=NNC(=O)OC)OC	834919424	SLJAUUXKZAOKAR-ZETCQYMHSA-N	188.227	1.143	50	20	ADGD	
Cl[C@@H]1N[C@H]2CC[C@H]1C2	953055281	WOETXYKTXVAFGN-HCWXCVPCSA-N	131.606	1.323	50	20	ADGD	
CCCN(C(=O)CCl)C1CC1	37097124	KCDNRAXXZUXRKQ-UHFFFAOYSA-N	175.659	1.626	50	20	ADGD	
COC(=O)NN=C(C)c1ccoc1	388650267	RMSPKNVWJXEZJC-UHFFFAOYSA-N	182.179	1.360	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CCC[C@@H](C)C1	768361775	WIGBTWSMVLDNLR-RKDXNWHRSA-N	197.282	1.728	50	20	ADGD	
CN(NC(=O)C[C@@H]1C=CCC1)C1CC1	819643070	WCQADNZPVGZRLO-SECBINFHSA-N	194.278	1.468	50	20	ADGD	
CN(NC(=O)CC(C)(F)F)C1CC1	819651224	FZPNMJCOGDENAJ-UHFFFAOYSA-N	192.209	1.157	50	20	ADGD	
CC[C@@H](CC1CCCC1)C(=O)NN	825644646	BFSGJXRHLWQRRA-VIFPVBQESA-N	184.283	1.583	50	20	ADGD	
O=C(NN=C1CC[C@@H]1C1CC1)C1CC1	814699437	DTMHIVKSXOPVLF-SECBINFHSA-N	192.262	1.689	50	20	ADGD	
O=C(O)C1=C[C@@H](Br)CC1	238685768	QZBDGEDSZVCVIH-YFKPBYRVSA-N	191.024	1.555	50	20	ADGD	
CCNC(=O)NN=Cc1ccsc1	308447335	BWWNTXVVACUINB-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
COCC(=NNC(=O)C(C)C)C1CC1	754258238	JHTNKMHCVNCTKO-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
O=C(NN=C1CC2(CCC2)C1)C1CC1	772829846	CRGVJPPEWZFJFK-UHFFFAOYSA-N	192.262	1.833	50	20	ADGD	
C[C@H]1CC[C@H](C=NNC(=O)C2CC2)C1	800805412	XLDJJKUVXAMXCO-IUCAKERBSA-N	194.278	1.935	50	20	ADGD	
Cc1ccncc1CNC(=O)CCl	167248369	VTCQHUVVSWQSMM-UHFFFAOYSA-N	198.653	1.245	50	20	ADGD	
CC(=O)NN=C1C[C@@H](C)C[C@@H](C)C1	306650546	FPDYQQWOJGQZQU-OCAPTIKFSA-N	182.267	1.935	50	20	ADGD	
O=C(NN=C[C@@H]1CCSC1)C1CC1	308421483	UBHDWYICIDIDFZ-ZETCQYMHSA-N	198.291	1.252	50	20	ADGD	
C#C[C@@]1(OC(=O)Cl)CCSC1	716355775	LWNDSZKOTIIOBD-SSDOTTSWSA-N	190.651	1.871	50	20	ADGD	
CCc1ncc(C=NNC(=O)O)s1	827642309	HUVIXJOYSUFFSR-UHFFFAOYSA-N	199.235	1.307	50	20	ADGD	
CC[C@@H](C)CCNC=C(C#N)C#N	849175353	UVKKZPHSKUEPID-SECBINFHSA-N	177.251	1.943	50	20	ADGD	
C/C(C#N)=C\CSC[C@H](C)C(=O)O	1589323351	AJOWHOLXONJDKC-DKCNVOGISA-N	199.275	1.910	50	20	ADGD	
CCNC(=O)NN=C1CC[C@@H](C)C1	378871910	PSXJTYWCZXVBMF-SSDOTTSWSA-N	183.255	1.482	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccccn1	394610142	SSOAGEBQHWIKBA-UHFFFAOYSA-N	191.234	1.188	50	20	ADGD	
CNC(=O)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	762417631	IADUUXVHAOONDB-CIUDSAMLSA-N	195.266	1.337	50	20	ADGD	
CN(C)C(=O)NN=C1CC[C@@H]1C1CC1	814820923	GZMSTVLLWDEDCZ-MRVPVSSYSA-N	195.266	1.434	50	20	ADGD	
N#C/C=C/CS(=O)(=O)C(F)(F)F	840205650	WFHXOHAEDLWMBK-OWOJBTEDSA-N	199.153	1.001	50	20	ADGD	
O=C[C@H](Cl)CN1CCCCC1	1857776824	FBMGKLSOGNQXLN-MRVPVSSYSA-N	175.659	1.279	50	20	ADGD	
N[C@H]1CCCC[C@@H]1Br	33889682	AQBYKNASJVORLT-WDSKDSINSA-N	178.073	1.651	50	20	ADGD	in-vitro
CC(=O)NN=C(C)c1csc(C)n1	308171497	ZSCXHHDFACGGOE-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CN(CC(Cl)Cl)C(=O)CC#N	848084819	WYTUJNBVTHWWML-UHFFFAOYSA-N	195.049	1.162	50	20	ADGD	
CCOC[C@H](C)OC(=O)Cl	233756273	URUOILBSAHNFAO-YFKPBYRVSA-N	166.604	1.787	50	20	ADGD	
CC1(C)CC[C@H](NC(=O)CCl)C1	128633816	FXCPIVDQKMWHNE-ZETCQYMHSA-N	189.686	1.920	50	20	ADGD	
CNCCO[Si](C)(C)C	169987243	UKZHAVXRVJVLGV-UHFFFAOYSA-N	147.294	1.057	50	20	ADGD	in-vitro
CCC(CC)=NNC(=O)OC	205673692	JUDUYWGEMZJPGX-UHFFFAOYSA-N	158.201	1.518	50	20	ADGD	
CC(C)c1noc(OC/C=C/C#N)n1	763304818	PMJIVUQMGWIRPR-ONEGZZNKSA-N	193.206	1.652	50	20	ADGD	
CCCC=NNC(=O)[C@@H]1CCCCO1	834986525	QMDXGGAPZRUYBH-VIFPVBQESA-N	198.266	1.458	50	20	ADGD	
CNNC(=O)Nc1cc(C)cc(C)c1	857764115	IFVUMWKRIPPVJY-UHFFFAOYSA-N	193.250	1.559	50	20	ADGD	
O=C=NCCCOc1ccccc1	62822099	BHNPMIFUYRTISC-UHFFFAOYSA-N	177.203	1.791	50	20	ADGD	in-vitro
CC(C)CC1(C(=O)NN)CCCC1	87315632	CHKGPTSNIGBLIA-UHFFFAOYSA-N	184.283	1.583	50	20	ADGD	
CC(C)(C)ONC(=O)CCl	133424724	KUPOAGJTSGZKPB-UHFFFAOYSA-N	165.620	1.072	50	20	ADGD	
C[C@H]1CC(C)(C)CC1=NN(C)C(N)=O	766028508	BOZUAMJHTFKYRD-ZETCQYMHSA-N	197.282	1.809	50	20	ADGD	
ClCc1nnc(-c2ccc[nH]2)o1	39250609	FIGOSGPPNKMLFR-UHFFFAOYSA-N	183.598	1.804	50	20	ADGD	
COC(=O)/C(C#N)=C/c1ccn(C)c1	306394117	LQFIDSPHHXCATO-WEVVVXLNSA-N	190.202	1.105	50	20	ADGD	
COC(=O)NN=C(C)CC1CCC1	308383174	VOZWTMILDHROMZ-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
CCC(=O)NN=C(C)CC(C)(C)C#N	853262666	GDIGVZBPGHWXHA-UHFFFAOYSA-N	195.266	1.828	50	20	ADGD	
CC(=O)NN=Cc1ccc(F)cc1F	916267376	PSXMHYNMXDTJQX-UHFFFAOYSA-N	198.172	1.435	50	20	ADGD	
O=C[C@]1(CCCl)C[C@H]2CC[C@H]1O2	306247365	FDLCKSWLXAYMMQ-HLTSFMKQSA-N	188.654	1.752	50	20	ADGD	
CO[C@H](CNC(=O)CCl)C(C)C	379334351	ODJCUDQGLVZDBP-SSDOTTSWSA-N	193.674	1.012	50	20	ADGD	
CC(=O)NN=C[C@H]1CC=CCC1	388411335	XWDHLVZHBYFKCQ-VIFPVBQESA-N	166.224	1.465	50	20	ADGD	
C=CCCCC[C@H](C)B(O)O	514251023	WQBSNFLAZILDJT-QMMMGPOBSA-N	156.034	1.596	50	20	ADGD	
CCOC(=O)C(=O)[C@H](Cl)CC	11887887	ZJYHNBMVJPEIQZ-RXMQYKEDSA-N	178.615	1.136	50	20	ADGD	
CCCC(=O)N=C=S	35121827	RRHQYWHXJHTVRW-UHFFFAOYSA-N	129.184	1.416	50	20	ADGD	
CCC(=O)NN=C1CCOC1(C)C	378861029	QDDKINGRUDVGGO-UHFFFAOYSA-N	184.239	1.068	50	20	ADGD	
CCCCNC(=O)/C(C#N)=C\OCC	746510791	SEFPGSOWRARNSN-HJWRWDBZSA-N	196.250	1.347	50	20	ADGD	
CC(C)(C=NNC(=O)O)CCC#N	833451745	YVRNZNXJTOBRPG-UHFFFAOYSA-N	183.211	1.570	50	20	ADGD	
CCC(CC)[C@H](C)C(=O)N(C)N	1573698394	BFUJKVDBOJWYMH-ZETCQYMHSA-N	172.272	1.391	50	20	ADGD	
Cc1ccc(CNC(=O)CCl)o1	53037024	CCACFUWYEJUDSR-UHFFFAOYSA-N	187.626	1.443	50	20	ADGD	
N#C[C@H]1C[C@@H]1CBr	143897497	KEMARSIEULTSMK-RFZPGFLSSA-N	160.014	1.541	50	20	ADGD	
COC(=O)NN=C1CC[C@@H]1C1CCC1	814692659	SLOTVFYCPMBQLE-MRVPVSSYSA-N	196.250	1.909	50	20	ADGD	
CC1(NC=C(C#N)C#N)CC=CC1	846758988	SVYIFTVBWFITLD-UHFFFAOYSA-N	173.219	1.616	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C[C@H]1CCOC1	915977138	OLVSEHCERRSSOZ-RKDXNWHRSA-N	198.266	1.171	50	20	ADGD	
CCCC=NNC(=O)NCCC	307982408	PMOJLJPELSMXRI-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CCCC(CCC)=NNC(=O)NC	308327958	GSZNNJHHHRGMGS-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
NNC(=O)C1CCCCCCC1	83187661	GAJCBVYJAAPLMI-UHFFFAOYSA-N	170.256	1.337	50	20	ADGD	
CSC[C@@H](C)NC=C(C#N)C#N	306482983	KCMPTHUUJIXVMB-SSDOTTSWSA-N	181.264	1.259	50	20	ADGD	
CC1CC(NC=C(C#N)C#N)C1	306801735	RQPVRLUZSGQOOW-UHFFFAOYSA-N	161.208	1.306	50	20	ADGD	
CC(=O)NN=Cc1ccc(F)c(C)c1	729141373	ZIFSEKMCFMHTSF-UHFFFAOYSA-N	194.209	1.604	50	20	ADGD	
C[C@@H](C=NNC(=O)N(C)C)CCC#N	766013521	PKCBDCWUPCKEFO-MRVPVSSYSA-N	196.254	1.183	50	20	ADGD	
CCOC(=O)NN=C1CCC[C@@H]2C[C@H]12	841603434	DFKDCZCAVCHFPW-SFYZADRCSA-N	196.250	1.909	50	20	ADGD	
NNC(=O)c1ccc2c(c1)CCCC2	37388282	IYGWWMNYYKLFBB-UHFFFAOYSA-N	190.246	1.169	50	20	ADGD	
O=C(NNc1ccccc1)C1CCC1	118456470	ODYRHSQAFTYDGA-UHFFFAOYSA-N	190.246	1.930	50	20	ADGD	
CC(=NN(C)C(N)=O)c1ccccc1	767908863	YNTGYIYONBQNTA-UHFFFAOYSA-N	191.234	1.421	50	20	ADGD	
C[C@H](C#N)OC(=O)/C(C#N)=C/C1CC1	786675562	JYFIVJZEGIRKGB-WDTYERQASA-N	190.202	1.302	50	20	ADGD	
COC(=O)NN=C1CCC(C)CC1	5915683	OGGJKQNKQGHXOK-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
O=C(O)[C@H]1C[C@@H]1CBr	104458920	IWQSHSVDKSNJTQ-DMTCNVIQSA-N	179.013	1.102	50	20	ADGD	
CCC(C)=NNC(=O)c1c[nH]nc1C	735410549	LIDBNTAVLRYJSL-UHFFFAOYSA-N	194.238	1.234	50	20	ADGD	
CN(NC(=O)CCCC1CC1)C1CC1	819653109	HIHRTROMPFHJHQ-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NN	825652527	VWAOYJVYOKCQSN-RQJHMYQMSA-N	196.275	1.150	50	20	ADGD	
COCC[C@@H](C)CCl	78750189	VYKFGMLNHWUVOV-ZCFIWIBFSA-N	136.622	1.898	50	20	ADGD	
CC(C)=CC(=O)NCC(Cl)Cl	306544962	ZTGJQMMOISQWFJ-UHFFFAOYSA-N	196.077	1.873	50	20	ADGD	
CC(=O)NN=C1CCC2(CC1)CC2	307191035	AHUUNLRJFCBISU-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
CCc1ncc(C=NNC(C)=O)s1	308403085	IASIXBOHSIJFEW-UHFFFAOYSA-N	197.263	1.176	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H](C)[C@H]1C	379392424	RVWMBYWXVXQYBQ-HTQZYQBOSA-N	182.267	1.935	50	20	ADGD	
C[C@H]1C[C@@H](CC(=O)NN)CC(C)(C)C1	825645041	NRRLDDCHZDCATB-IUCAKERBSA-N	198.310	1.829	50	20	ADGD	
NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	841837185	BPCGEZVATYJZQV-XHNCKOQMSA-N	197.282	1.128	50	20	ADGD	
CCCc1ccc(C(=O)NN)cc1	164804637	DSBVDMFDQYWQDE-UHFFFAOYSA-N	178.235	1.243	50	20	ADGD	
C[C@@H]1CO[C@@H](CBr)C1	536957327	FRHOXLPOYYYOPC-NTSWFWBYSA-N	179.057	1.806	50	20	ADGD	
C=C(CBr)[C@@H](O)C(C)C	38973896	HDPWJPWKTKFFMJ-ZETCQYMHSA-N	193.084	1.954	50	20	ADGD	
Nc1nc(CCl)nn2cccc12	82394714	BRLAKSPBRIFARA-UHFFFAOYSA-N	182.614	1.050	50	20	ADGD	
COCC(=NNC(=O)OC)C(C)C	381917647	JFNWHIDKZLZKCH-UHFFFAOYSA-N	188.227	1.001	50	20	ADGD	
CCCNC(=O)NN=Cc1cc[nH]c1	745196288	LWBQQNNGNQUNBF-UHFFFAOYSA-N	194.238	1.058	50	20	ADGD	
CCC(=NNC(=O)COC)[C@H]1C[C@H]1C	841628811	IVWDAVWEZKBOPT-SFYZADRCSA-N	198.266	1.171	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@H]1F	872345874	WMEKNNBXWCVSPM-ZCFIWIBFSA-N	187.218	1.184	50	20	ADGD	
COC(=O)NN=C(C)c1ccc(C)o1	916268759	NUWPRUZZESUYEV-UHFFFAOYSA-N	196.206	1.668	50	20	ADGD	
C[C@@H]1CC(=NNC(N)=O)C[C@@H](C)C1	5276229	VHJGANGJOQWBCX-BQBZGAKWSA-N	183.255	1.467	50	20	ADGD	
CCCCC[C@@H](C)NC(=O)NN	42576273	AETWQXWYQGDFQZ-SSDOTTSWSA-N	173.260	1.128	50	20	ADGD	
CC[C@@H](CCl)COC	84349245	QHYMSCGEEPMOIO-LURJTMIESA-N	136.622	1.898	50	20	ADGD	
CNC(=O)NNc1ccccc1Cl	306222000	QGLQQIYZRYVRPS-UHFFFAOYSA-N	199.641	1.596	50	20	ADGD	
CC(C)C(=O)NCC(Cl)Cl	307134108	ZRDCUWLTLZZNTC-UHFFFAOYSA-N	184.066	1.562	50	20	ADGD	
COC(=O)NN=C1CCC12CCC2	388840878	YFNSORPKBMFYEO-UHFFFAOYSA-N	182.223	1.663	50	20	ADGD	
CC(C)CC(=O)NN=C1CC[C@@H]2C[C@H]12	872334842	OOYRBJJOMQVNEQ-BDAKNGLRSA-N	194.278	1.935	50	20	ADGD	
O=C[C@]1(CCCl)CCCOC1	306780730	DHXQUJHVABGRDQ-MRVPVSSYSA-N	176.643	1.611	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H](C)[C@@H]1C	379392426	RVWMBYWXVXQYBQ-SFYZADRCSA-N	182.267	1.935	50	20	ADGD	
CC(F)(F)CNC=C(C#N)C#N	840725243	LXSBGIFKJCOHRQ-UHFFFAOYSA-N	171.150	1.162	50	20	ADGD	
O[C@H](CCl)C/N=C/c1ccccc1	18097791	PHFWZIAEQLVDMM-CEXMDJMXSA-N	197.665	1.705	50	20	ADGD	
COCC(=O)NNc1ccc(C)cc1	197206918	IKUHIVRIBNVNAI-UHFFFAOYSA-N	194.234	1.085	50	20	ADGD	
CCC[C@@H](C)C(CC)=NNC(N)=O	379397624	DWRRTYPHPBYBLQ-SSDOTTSWSA-N	185.271	1.857	50	20	ADGD	
C[C@@H]1CCC(=NNC(=O)N(C)C)C1	382148937	OWSLXICWINBEIA-SSDOTTSWSA-N	183.255	1.434	50	20	ADGD	
C[C@@H](CC1CCCCC1)NC(=O)NN	694689738	JKYSEWRSEIVFAC-QMMMGPOBSA-N	199.298	1.518	50	20	ADGD	
CN(NC(=O)C=C1CCCC1)C1CC1	819646221	OGFHYJDPOMIPNE-UHFFFAOYSA-N	194.278	1.612	50	20	ADGD	
CO[C@@H]1CC(=NNC(C)=O)C12CCC2	834919217	QOMRXJKGDYREBB-SECBINFHSA-N	196.250	1.068	50	20	ADGD	
NNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	306653610	HBUBWNIWCJDVGU-BRPSZJMVSA-N	182.267	1.193	50	20	ADGD	
BrC[C@H]1CC2(CC2)CO1	536953056	RAXBGTDENTYRQH-ZCFIWIBFSA-N	191.068	1.950	50	20	ADGD	
CC(=O)NN=C1CC(C)(C)OC1(C)C	755872721	SMUDAEKNOANIGF-UHFFFAOYSA-N	198.266	1.456	50	20	ADGD	
COCC(=O)NN=C[C@@H]1CC=CCC1	761820727	ZHNVPNPIUKZRFR-SECBINFHSA-N	196.250	1.091	50	20	ADGD	
CC[C@@H]1CCCCC1=NNC(=O)NC	779769888	CCQORQKOHCTLTE-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
COC(=O)N(C)N=Cc1ccncc1	794962158	KSYZBUCANWFCMK-UHFFFAOYSA-N	193.206	1.114	50	20	ADGD	
C[C@H]1CCN(C(=O)CCl)C1	40724248	OUZTXCYFPLVBMN-LURJTMIESA-N	161.632	1.094	50	20	ADGD	
C[C@H](CCl)CO[C@@H]1CCOC1	70067068	YQQLECWLSBFJAB-HTQZYQBOSA-N	178.659	1.667	50	20	ADGD	
CCCC[C@H](CCC)NC(=O)NN	226158923	YBCRXSZBMICYPN-QMMMGPOBSA-N	187.287	1.518	50	20	ADGD	
NC(=O)NN=C/C=C\c1ccccc1	254808321	PZZOBYAGIHBRPI-RMPRAXAASA-N	189.218	1.354	50	20	ADGD	
C=Cn1cc(C=C(C#N)C#N)cn1	306975342	ZJPNZFWJMUJBGX-UHFFFAOYSA-N	170.175	1.414	50	20	ADGD	
C[C@@H]1CCCC[C@H]1C=NNC(N)=O	308011904	KSELZLBOWUSOHV-SFYZADRCSA-N	183.255	1.467	50	20	ADGD	
CCCC1(C(=O)NNC(C)=O)CCC1	759183708	KTFOPCMZUPBKOY-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
C[S@](=O)CCC1(CCl)CC1	306843055	COAFRJPNFCKPFV-JTQLQIEISA-N	180.700	1.774	50	20	ADGD	
O=C(NN=Cc1cscn1)C1CC1	379364685	NEKGUVHBEIITHA-UHFFFAOYSA-N	195.247	1.003	50	20	ADGD	
CC(=NNC(=O)C(C)(C)O)C1CCC1	785458165	PCYGGHSVGQXDLP-UHFFFAOYSA-N	198.266	1.050	50	20	ADGD	
CC(C)(O)C(=O)NN=C1CCCCC1	785463946	YADDPIVZROOGRV-UHFFFAOYSA-N	198.266	1.194	50	20	ADGD	
CCC(=O)NN=C(CC)c1cn[nH]c1	788953872	DTWUNTJZHUFQDG-UHFFFAOYSA-N	194.238	1.050	50	20	ADGD	
CC(C)=CC(=O)NCCCSC#N	308282242	YFVNPXLFZVYNCB-UHFFFAOYSA-N	198.291	1.673	50	20	ADGD	
CC(C)(C)c1cc(CCN=C=O)no1	716305708	GPIVMYDPEVHLDQ-UHFFFAOYSA-N	194.234	1.850	50	20	ADGD	
C=C(C)CN/C=C(\C#N)C(=O)OCC	777403057	XKYCPARYDISGCJ-VQHVLOKHSA-N	194.234	1.123	50	20	ADGD	
F[C@H]1OCC[C@@H]1Br	1537958165	KSCJRQMDEGNNAB-IMJSIDKUSA-N	168.993	1.466	50	20	ADGD	
O=C(CCl)NC[C@H]1C=CCC1	711671162	XYTGWULMMWTMAN-ZETCQYMHSA-N	173.643	1.308	50	20	ADGD	
C[C@@H]1C[C@H](CC(=O)NN)CC(C)(C)C1	825645042	NRRLDDCHZDCATB-RKDXNWHRSA-N	198.310	1.829	50	20	ADGD	
C[C@H](C#N)C(=O)NNc1ccccc1	736667683	SACHNFNYWSVIOU-MRVPVSSYSA-N	189.218	1.289	50	20	ADGD	
CCNC(=O)NN=C(CC)C1CCC1	834945069	FCBRZWXNXSNPNI-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CCOC=C(C)C=O	1857776156	KDOAHVPFGIYCEU-UHFFFAOYSA-N	114.144	1.126	50	20	ADGD	
COCC(C)=NNC(=O)C(C)(C)C	308276083	VRVRLVVUNCSJNX-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
CC(C)(O)[C@H]1C[C@H]1Br	238191261	DMZSQXLWJAJGED-CRCLSJGQSA-N	179.057	1.541	50	20	ADGD	
CC(C)=NNC(=O)NC1CCCC1	306515181	VPULWJMAKTZGKZ-UHFFFAOYSA-N	183.255	1.624	50	20	ADGD	
CC1(C=NNC(=O)C2CCC2)CC1	308308629	PUAYZKKYJIZPFB-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CC[C@H]1CCC1=NN(C)C(=O)OC	308424011	QBSCQEYHWYHHKU-ZETCQYMHSA-N	184.239	1.861	50	20	ADGD	
CCC(=NNC(N)=O)C1CCC1	394881474	KTDAHSIYSYIOOS-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
C#CC(=O)NNc1cc(C)ccc1F	754085134	TVYZGAXOLIAJEG-UHFFFAOYSA-N	192.193	1.210	50	20	ADGD	
C[C@H](C=NNC(=O)N(C)C)C(C)(C)C	800811457	VJVXZNOYTQLVLG-MRVPVSSYSA-N	199.298	1.926	50	20	ADGD	
CCC(=NNC(=O)OC)[C@@H]1C[C@@H]1C	841605561	PVDXPDLJTBKGNV-NKWVEPMBSA-N	184.239	1.764	50	20	ADGD	
CC(=O)NN=C(C)c1cccc(C)c1	916266976	RGJLFOOTKAHOOR-UHFFFAOYSA-N	190.246	1.855	50	20	ADGD	
CC[C@H](NNC(C)=O)c1ccccc1	2037956	NFGRRTXDITZOSL-NSHDSACASA-N	192.262	1.778	50	20	ADGD	
CCCC=NN(C)C(=O)NCC	307992821	URTDOWOOIDLIAW-UHFFFAOYSA-N	171.244	1.434	50	20	ADGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)CC	746507780	YBWMDAHSROFKKZ-KGOFQHAKSA-N	196.250	1.345	50	20	ADGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(N)=O	769566767	JNMAYUGJTMLWEU-HTQZYQBOSA-N	197.282	1.857	50	20	ADGD	
CN(N)C(=O)CC1CCC(C)(C)CC1	1573877898	ZQACUBUCUDEFMC-UHFFFAOYSA-N	198.310	1.925	50	20	ADGD	
O=C=Nc1ccc(Cl)cn1	71030960	RIESWUXEHBRCOV-UHFFFAOYSA-N	154.556	1.702	50	20	ADGD	
C[C@H](Cl)C(=O)OCCl	104714335	DXYWHRQSKDMJFU-VKHMYHEASA-N	156.996	1.353	50	20	ADGD	
CCO[C@H]1COC[C@H]1Br	157960453	XNDSMJKCILMBFY-RITPCOANSA-N	195.056	1.185	50	20	ADGD	
CNC(=O)NN=Cc1ccc(C)s1	308219923	BZDHYZBZGVGPPT-UHFFFAOYSA-N	197.263	1.319	50	20	ADGD	
Cc1ccsc1C=NN(C)C(N)=O	388597505	DIEPMUWVRQSJJP-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
O=C(CCCl)N1CC[C@@H](CF)C1	409432499	VWCUOTGJGHQCIC-ZETCQYMHSA-N	193.649	1.433	50	20	ADGD	
CNC(=O)NN=C1CC[C@H]1C1CCC1	814814455	LUYNEGDSFAMOEJ-QMMMGPOBSA-N	195.266	1.482	50	20	ADGD	
CC1(F)CCN(C(=O)CCl)CC1	1329681109	FNJKRVJMBKSZOD-UHFFFAOYSA-N	193.649	1.576	50	20	ADGD	
CN(Cc1ccon1)C(=O)Cl	307740601	HSTKXJMJQJAWBY-UHFFFAOYSA-N	174.587	1.465	50	20	ADGD	
NC(=O)NN=C1CCC12CCCC2	308156416	BAWRYPADQNFJHO-UHFFFAOYSA-N	181.239	1.365	50	20	ADGD	
CC(C)C=NNC(=O)C1CCCC1	308224134	DIAISPHKRAKTQC-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC[C@H]1CC(=NNC(C)=O)CCO1	308395784	DBFDWZOXBCSYCK-VIFPVBQESA-N	184.239	1.068	50	20	ADGD	
CNC(=O)NN=C1CCC(C)(C)C1	308442911	ZRAHSVYFIMNKQS-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CSCCC=NNC(=O)C(F)F	388406570	SXTGUMMIYPATPQ-UHFFFAOYSA-N	196.222	1.107	50	20	ADGD	
CC1(C)CC(=NNC(=O)C2CC2)CO1	841604744	NTIAKXHIGYVIRO-UHFFFAOYSA-N	196.250	1.068	50	20	ADGD	
CN(C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872346657	FEBSXUPWKWDDHE-RQJHMYQMSA-N	181.239	1.044	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)C(C)(C)C	379408764	BOANTKQRUNACEU-SFYZADRCSA-N	182.267	1.791	50	20	ADGD	
CCCCCC=NNC(=O)C(F)F	388373350	YCFKLHAOQVCAOH-UHFFFAOYSA-N	192.209	1.934	50	20	ADGD	
C[C@@H]1OCC[C@]1(C)NC=C(C#N)C#N	783690053	ZXIDECRAJMNYNS-WPRPVWTQSA-N	191.234	1.075	50	20	ADGD	
CC[C@@H](C)[C@@H](C)C(=O)NN(C)C1CC1	819650257	WIDPAHDSNOBJSK-RKDXNWHRSA-N	198.310	1.794	50	20	ADGD	
C[C@H]1CCC(=NNC(=O)C(F)F)C1	378874346	WLAVDGYAMFFLIK-YFKPBYRVSA-N	190.193	1.544	50	20	ADGD	
O=C(CCCl)N1CC[C@H](CF)C1	409432498	VWCUOTGJGHQCIC-SSDOTTSWSA-N	193.649	1.433	50	20	ADGD	
CCCCC(COC)=NNC(=O)O	736982945	VYQHTEIIRCCCQN-UHFFFAOYSA-N	188.227	1.447	50	20	ADGD	
CS[C@H](C(=O)NN)c1ccccc1	82472796	ZJXRLCSJKFYJRO-QMMMGPOBSA-N	196.275	1.081	50	20	ADGD	
CC(=O)NN=Cc1ccccc1Cl	308164785	XAIOBIFFQQPEOC-UHFFFAOYSA-N	196.637	1.810	50	20	ADGD	
C=CC[C@@H](C)C(C)=NNC(=O)OC	308331325	IXNGPIAYHCGWME-SSDOTTSWSA-N	184.239	1.931	50	20	ADGD	
CCOC(=O)NN=C(C)[C@H](C)OC	379387483	HMOYWHWJPIBMGZ-ZETCQYMHSA-N	188.227	1.143	50	20	ADGD	
CC(C)=NNC(=O)c1cccc(C)n1	794566618	JMDGPHPBOJCHOC-UHFFFAOYSA-N	191.234	1.516	50	20	ADGD	
C[C@H]1CC[C@H](CNC=C(C#N)C#N)C1	794846204	YNBTVZMAEQSCSU-UWVGGRQHSA-N	189.262	1.943	50	20	ADGD	
N#CC[C@H](F)CBr	238533390	SWNCJGZKBONOFW-BYPYZUCNSA-N	165.993	1.633	50	20	ADGD	
O=C(Cl)N1C2CCC1CC2	306679633	HWCHBLKQZPTVFW-UHFFFAOYSA-N	159.616	1.972	50	20	ADGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(N)=O	769566768	JNMAYUGJTMLWEU-JGVFFNPUSA-N	197.282	1.857	50	20	ADGD	
CCOC[C@]1(CCl)CCOC1	157461541	WSWKCGTZGQZFPH-MRVPVSSYSA-N	178.659	1.668	50	20	ADGD	
COC(=O)N(C)N=C1CC2(CC2)C1	306268223	JGXDEMRZHLNIBP-UHFFFAOYSA-N	182.223	1.615	50	20	ADGD	
CCN(C)C(=O)NCC(Cl)Cl	307760388	VRBDNPVTDLCTEA-UHFFFAOYSA-N	199.081	1.451	50	20	ADGD	
COC(=O)NN=Cc1cc(C)[nH]c1C	917563316	LUIQJBAKKVHACU-UHFFFAOYSA-N	195.222	1.321	50	20	ADGD	
N[C@@H](CCl)c1cccs1	259394776	NTVMPEJMXXTBOQ-YFKPBYRVSA-N	161.657	1.987	50	20	ADGD	
O=C(CCl)NC[C@H]1C[C@H]2C=C[C@H]1C2	306372487	NFRPHBZBLUUGFM-XHNCKOQMSA-N	199.681	1.554	50	20	ADGD	
COCc1nc(CCl)co1	306658593	IVMJTOJOGQZGLK-UHFFFAOYSA-N	161.588	1.560	50	20	ADGD	
O=C(CCCl)N1CCC(F)CC1	409424372	UVHLGYSECRKFHF-UHFFFAOYSA-N	193.649	1.576	50	20	ADGD	
CN(NC(=O)CC(C)(C)C#N)C1CC1	819652046	ZRTPZBMVSOTXKY-UHFFFAOYSA-N	195.266	1.052	50	20	ADGD	
CC(=O)NN=C1CCC(F)(F)CC1	842519761	SMPKDCWTWSOJOH-UHFFFAOYSA-N	190.193	1.688	50	20	ADGD	
CC(C)N1CCO[C@@H](CCl)C1	39308475	PBMGKUKINJVKRC-QMMMGPOBSA-N	177.675	1.334	50	20	ADGD	in-vitro
CCCc1ccc(C(=O)NN)s1	59490124	IRBCYCZIYVEPMZ-UHFFFAOYSA-N	184.264	1.304	50	20	ADGD	
CC(=O)NN=Cc1ccccc1C	308165792	XMNVQBSHBSASNN-UHFFFAOYSA-N	176.219	1.465	50	20	ADGD	
CC(C)CC1(NC(=O)CCl)CC1	701849597	QHOFHKFPWFWIKI-UHFFFAOYSA-N	189.686	1.920	50	20	ADGD	
Cc1ccoc1C=NNC(=O)C1CC1	743423342	PYRJXBNTIUHALX-UHFFFAOYSA-N	192.218	1.448	50	20	ADGD	
CCNC(=O)NN=C1CC[C@H]1C1CC1	814817093	BRDRQHMIUXODMU-QMMMGPOBSA-N	195.266	1.482	50	20	ADGD	
CC/C(C)=C(/C)C(=O)NN(C)C1CC1	819649902	MUCKVOHFXRTYPX-HJWRWDBZSA-N	196.294	1.858	50	20	ADGD	
N#C/C=C\CS(=O)(=O)C(F)(F)F	840205655	WFHXOHAEDLWMBK-UPHRSURJSA-N	199.153	1.001	50	20	ADGD	
CC(C)(NC=C(C#N)C#N)C1CC1	307225711	USQSMIMGZJMXIR-UHFFFAOYSA-N	175.235	1.696	50	20	ADGD	
C[C@H]1CC(C)(C)CN1C(=O)CCl	1327857553	HXFYMSBXIWGHFZ-ZETCQYMHSA-N	189.686	1.872	50	20	ADGD	
CCNC(=O)NN=C(CC)C1CC1	308461708	HUOXIMSUMFQZDU-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC(CC1CCC1)=NNC(=O)CCO	1319266067	GPYXKCYQJWANNJ-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
COC(=O)NN=Cc1ccc(C)cc1	17023977	OZLNSTBDXXQKES-UHFFFAOYSA-N	192.218	1.685	50	20	ADGD	
CSSCCNC(=O)CC#N	307917442	BYVLSPPFBKPPEN-UHFFFAOYSA-N	190.293	1.027	50	20	ADGD	
C[C@H]1CCCC[C@H]1C=NNC(N)=O	308011907	KSELZLBOWUSOHV-YUMQZZPRSA-N	183.255	1.467	50	20	ADGD	
CN(C(=O)Cl)[C@H]1CCSC1	82396837	HQHHZULCRNMQEA-YFKPBYRVSA-N	179.672	1.783	50	20	ADGD	
CC[C@H]1CCCC1=NNC(N)=O	252890059	GISFSJVBZZEOKF-LURJTMIESA-N	169.228	1.221	50	20	ADGD	
CC(C)(C)C=NNC(=O)C1CC1	254486020	QVXDVVROGIEVLJ-UHFFFAOYSA-N	168.240	1.545	50	20	ADGD	
N#CC1=CCN(C[C@H]2CCCO2)CC1	259326210	WVIKWZCAONJZAA-LLVKDONJSA-N	192.262	1.321	50	20	ADGD	
CON(C)C[C@@H](C)CBr	306410165	JJHBOLUTUNXZBS-LURJTMIESA-N	196.088	1.511	50	20	ADGD	
C[C@@H]1C[C@@H]1C(=O)NNc1ccccc1	868133257	VTVPHANYYHXMLN-SCZZXKLOSA-N	190.246	1.786	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1CC=CCC1	921021810	RBMLGDNBQAAWDO-SNVBAGLBSA-N	187.246	1.863	50	20	ADGD	
C[C@]12CC=CC[C@@H]1C(=O)OC2=O	64633514	SOOZEQGBHHIHEF-MUWHJKNJSA-N	166.176	1.042	50	20	ADGD	in-vitro
N#C[C@H](O)c1cccc(F)c1	100093748	PIUFDVZAZWZBCK-QMMMGPOBSA-N	151.140	1.383	50	20	ADGD	
CCNC(=O)NN=CC[C@@H](C)CC	834945579	SBORMFGQVQYGKQ-QMMMGPOBSA-N	185.271	1.728	50	20	ADGD	
C/C(C#N)=C\CSCC(=O)O	1602786340	MAOFSUCPVZFOAK-QHHAFSJGSA-N	171.221	1.274	50	20	ADGD	
CCn1ncnc1C[C@H](C)CCl	85044058	AVHMBTSVVGYIKQ-ZETCQYMHSA-N	187.674	1.715	50	20	ADGD	
CC[C@@H]1CCC1=NN(C)C(=O)OC	308424010	QBSCQEYHWYHHKU-SSDOTTSWSA-N	184.239	1.861	50	20	ADGD	
CNC(=O)NN=CCCC(C)C	382106094	ILSBKJNCOIQXLO-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
CCOC(=O)NN=CCC(C)C	388409417	WGLXBIAMIKCDEF-UHFFFAOYSA-N	172.228	1.764	50	20	ADGD	
CC(=NNC(=O)c1cn[nH]c1)C(C)C	863156057	JYVRFGLVWRAOEW-UHFFFAOYSA-N	194.238	1.171	50	20	ADGD	
C[C@@H]1CCCC(=NNC(=O)N(C)C)C1	745604969	INCRGLMVFCHSFV-MRVPVSSYSA-N	197.282	1.824	50	20	ADGD	
NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1	852771656	AQKFTXLHOAUTGN-MGCOHNPYSA-N	196.294	1.583	50	20	ADGD	
O=C(NNc1ccccc1)[C@@H]1C[C@H]1F	1348450781	BTDDFBGEOBCKTF-RKDXNWHRSA-N	194.209	1.488	50	20	ADGD	
FCCO[C@H]1C[C@H](Br)C1	1898196758	XIOGHYUTZFPMRM-IZLXSQMJSA-N	197.047	1.898	50	20	ADGD	
CCc1ccc(C=NNC(N)=O)s1	252461502	IDIRRAHHONMVDF-UHFFFAOYSA-N	197.263	1.313	50	20	ADGD	
CCNC(=O)NN=C(C)c1ccoc1	755890180	KTLJPRNONXMINK-UHFFFAOYSA-N	195.222	1.323	50	20	ADGD	
CC(=NNC(=O)C(C)C)[C@@H]1CCCO1	783811133	GKACUHRZLMXVLP-VIFPVBQESA-N	198.266	1.314	50	20	ADGD	
CN(C)C(=O)NN=C1CCC(C)(C)C1	783838064	UPXZDWOUUHFQCB-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CN(NC(=O)CC1CCCC1)C1CC1	819642668	OLYUVZUEVAUYQQ-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
CCC(=NNC(=O)COC)[C@@H]1C[C@@H]1C	841628810	IVWDAVWEZKBOPT-JGVFFNPUSA-N	198.266	1.171	50	20	ADGD	
O=C(CCl)Nc1nccn1C1CC1	1328380972	KNENIDHFDSCWMU-UHFFFAOYSA-N	199.641	1.395	50	20	ADGD	
C=C[C@@H](C)NC=C(C#N)C#N	306467247	LZBPVADLPLFJDU-SSDOTTSWSA-N	147.181	1.082	50	20	ADGD	
CC[C@@H](C)C(=O)NN=CC1(C)COC1	814808903	USSVSTMPFXJQKA-MRVPVSSYSA-N	198.266	1.171	50	20	ADGD	
CC(C)OCC[S@@](=O)Cl	306851302	QJUXUJLHRJGIIM-SECBINFHSA-N	170.661	1.314	50	20	ADGD	
CC[C@@H](C)C(=O)NN=CC(C)C	393340340	YPVKZGOQSGRYRH-MRVPVSSYSA-N	170.256	1.791	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CC(F)(F)C1	409424386	UXYTWFNKJUVYHY-SCSAIBSYSA-N	183.585	1.091	50	20	ADGD	
CCC(=O)NN=Cc1ccc(C#N)o1	743421615	CHXOJBAJCSYIDM-UHFFFAOYSA-N	191.190	1.011	50	20	ADGD	
CCC/C=C\C(=O)NNC(=O)C(C)C	920421585	BJYDRUFMBIIKSI-SREVYHEPSA-N	198.266	1.146	50	20	ADGD	
O=C(CCl)NOC1CCCC1	136960757	WDXFGTYGYKECNX-UHFFFAOYSA-N	177.631	1.216	50	20	ADGD	
O=[S@](Cl)C(F)F	219417825	KXTLHJHZGXFCMO-LURJTMIESA-N	134.534	1.112	50	20	ADGD	
C[C@H](Cl)C(=O)N1CC[C@@H](CF)C1	409428314	MDVWXUYHWZCESR-BQBZGAKWSA-N	193.649	1.432	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1COC[C@H]1C	884419594	VWIRCMBADGHHMV-HTQZYQBOSA-N	198.266	1.171	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)C1CCC1	308289695	GGSVFWAKTMXTLE-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
C[C@H](C=NNC(=O)N(C)C)CCC#N	766013522	PKCBDCWUPCKEFO-QMMMGPOBSA-N	196.254	1.183	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1CCC=CO1	780145965	BCLVDBPPJDEINF-JTQLQIEISA-N	189.218	1.200	50	20	ADGD	
CCC(=NNC(=O)OC)C1CCC1	834918696	FLAHQNUNYCDBQQ-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
NCc1cccc(CCl)c1	83339631	CDPJFYDPGGIGPV-UHFFFAOYSA-N	155.628	1.884	50	20	ADGD	
COC[C@]1(CCl)CCO[C@H]1C	126163787	OCTAGUWIFKDRCN-JGVFFNPUSA-N	178.659	1.667	50	20	ADGD	
CNC(=O)NN=C1CC[C@H](C)C1	393429115	OSQQCUPYOLLTJZ-LURJTMIESA-N	169.228	1.091	50	20	ADGD	
N#C/C(=C\c1cccc(F)c1)C(=O)O	22211792	CYDCDJFVROSQIZ-XBXARRHUSA-N	191.161	1.817	50	20	ADGD	
CC(C)C/C=C(\C#N)C(=O)O	62715727	JPWITCRJVNDZOC-QPJJXVBHSA-N	153.181	1.567	50	20	ADGD	
CC(C)(C)CCNC=C(C#N)C#N	306216909	JFVADKOSMLYGTP-UHFFFAOYSA-N	177.251	1.943	50	20	ADGD	
CCNC(=O)NN=CC(CC)CC	308444038	AMJRIERLNKJPCA-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
CCC(=O)NN=C(C)CCCCC#N	841604838	VYDFDDXBSYYTQL-UHFFFAOYSA-N	195.266	1.972	50	20	ADGD	
CCCCCCCCNC(=O)NN	126712620	JKMPUFHMOZALDN-UHFFFAOYSA-N	187.287	1.520	50	20	ADGD	
CCC[C@H](C(=O)NN)C(C)C	307735364	XLSJYKFFBPJUPD-ZETCQYMHSA-N	158.245	1.049	50	20	ADGD	
CC[C@H](C)NC=C(C#N)C#N	307744324	OJNXGZAQDUFDRX-ZETCQYMHSA-N	149.197	1.306	50	20	ADGD	
CCC(COC)=NNC(=O)C1CCC1	735971743	USPZJRWDYWMBBI-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CNC(=O)NN=C(C)CC1CC1	379335600	UVEJPWAORMIUOR-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
CC(C)OC(=O)/C(C#N)=C/C1CC1	388832697	WPPSZSUVTOZADL-WEVVVXLNSA-N	179.219	1.798	50	20	ADGD	
COC(=O)/C(C#N)=C/c1ccsc1	7060442	BBWRETCASAWRII-XBXARRHUSA-N	193.227	1.828	50	20	ADGD	
CC[C@@H](C)[C@@H](C)NC(=O)CCl	42557763	IQXTUZCPBRPMNW-RNFRBKRXSA-N	177.675	1.776	50	20	ADGD	
C[C@H](F)CBr	95934701	DFMOYZCKOYEADZ-VKHMYHEASA-N	140.983	1.739	50	20	ADGD	
CC(C)C(=O)NN=CCCC1CC1	308150425	NZSQZKSIYTXXAM-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
COC(=O)NN=C1CCS[C@H]1C	378799988	TXFROXFAHAPDMH-YFKPBYRVSA-N	188.252	1.224	50	20	ADGD	
C[C@@H]1OCCC1=NNC(=O)C(C)(C)C	747752711	BJIMEPUWVAMQBI-ZETCQYMHSA-N	198.266	1.314	50	20	ADGD	
CCOC(=O)NN=Cc1cc(C)on1	841606118	ZIWMXAAFZCIERR-UHFFFAOYSA-N	197.194	1.063	50	20	ADGD	
CCC(=O)NN=C(C)c1cncs1	308287540	FELNVDOBSBGDFN-UHFFFAOYSA-N	197.263	1.393	50	20	ADGD	
CCC(=O)NN=C(CC)[C@H]1CCOC1	741838191	SGQKBLPMFOGTGU-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
CC(C)=CCC[C@@H](C)NC(=O)NN	841908008	HWKRXRDWLKFWBC-MRVPVSSYSA-N	185.271	1.294	50	20	ADGD	
C#CCCCC(=O)NN=C(C)CC	901321821	YYRRSOUPIXBDDX-UHFFFAOYSA-N	180.251	1.692	50	20	ADGD	
S=C(Cl)N1CCCC1	147155805	DVBNKOCFSACJNH-UHFFFAOYSA-N	149.646	1.606	50	20	ADGD	
O=C(NN=C1CC2(CC2)C1)C1CCC1	814847075	ZCVFDXZMWCOXCJ-UHFFFAOYSA-N	192.262	1.833	50	20	ADGD	
CCC(CC)(CC)C(=O)NN	224621333	LMULXPJPJUDEBE-UHFFFAOYSA-N	158.245	1.193	50	20	ADGD	
CN(C)C(=O)NN=C1CCCC1(C)C	749855414	MSNCEHKCRWQSDF-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CCC(=NNC(C)=O)[C@H]1C[C@H]1C	841605087	XABGLDYSYBLFMH-SVRRBLITSA-N	168.240	1.545	50	20	ADGD	
CC(CC1CC1)=NN(C)C(N)=O	307984790	QQUUFTLRLPWZLI-UHFFFAOYSA-N	169.228	1.173	50	20	ADGD	
CCNC(=O)NN=C(C)[C@@H](C)CC	308479708	MWKHNKCRTQKEPN-ZETCQYMHSA-N	185.271	1.728	50	20	ADGD	
C#Cc1ccc(/C=C/C=O)cc1	1535730271	QDDTYRUFLAVPAF-ONEGZZNKSA-N	156.184	1.880	50	20	ADGD	
C[C@H](C1CC1)N(C)C(=O)CCl	36785397	OCEQRHLUTRIXMG-ZCFIWIBFSA-N	175.659	1.482	50	20	ADGD	
COCc1cc(N=C=S)ncn1	114087398	MAMAXQOBZXUYFN-UHFFFAOYSA-N	181.220	1.357	50	20	ADGD	
OB(O)C1=CCCCCCC1	206029666	XUXMHPTXULTCHW-UHFFFAOYSA-N	154.018	1.279	50	20	ADGD	
CC1(C=NNC(=O)C(C)(C)C)CC1	308138635	GWWQYWFDFHCGJW-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
C#CCOC(=O)/C(C#N)=C\C1CC1	388354735	PZDXHGCWOSSSKB-TWGQIWQCSA-N	175.187	1.023	50	20	ADGD	
CCCN(C)C(=O)/C(C#N)=C/OCC	746510407	OTIMIALXPQAQCY-CMDGGOBGSA-N	196.250	1.299	50	20	ADGD	
CCCCNC(=O)NN=C[C@H]1C[C@H]1C	758374759	IKWKVFRCSJSOOD-RKDXNWHRSA-N	197.282	1.728	50	20	ADGD	
CC[C@@H](C)C(=O)NN(C)C1CC1	819646019	YKSXSOOYWRAXTI-SSDOTTSWSA-N	170.256	1.158	50	20	ADGD	
C[C@@H](CCl)Cc1cnn(C)c1	82765148	NXVWBDBPQYHNOF-SSDOTTSWSA-N	172.659	1.838	50	20	ADGD	
CCNC(=N)NCCSSC	397740797	VTXDXIGQWUSBMH-UHFFFAOYSA-N	193.341	1.131	50	20	ADGD	
C=C(C)CN/C=C(/C#N)C(=O)OCC	777403056	XKYCPARYDISGCJ-CLFYSBASSA-N	194.234	1.123	50	20	ADGD	
CN(NC(=O)[C@H]1C[C@@H]1C1CC1)C1CC1	819653256	LVZLNPUIBPTYHH-ZJUUUORDSA-N	194.278	1.158	50	20	ADGD	
O=C(NCC(Cl)Cl)C(F)F	306478965	FFLXCCUFOVXCGF-UHFFFAOYSA-N	191.992	1.171	50	20	ADGD	
CCC(=NNC(=O)O)[C@@H]1CCOC1	736833293	BGBVOOYMOKCPJT-ZCFIWIBFSA-N	186.211	1.057	50	20	ADGD	
CCc1[nH]ncc1CCl	85655914	HSQMRFHDCHGSNZ-UHFFFAOYSA-N	144.605	1.711	50	20	ADGD	
O=C(Cl)N1CCN2CCC[C@@H]2C1	86933556	JBCKTCOGHGDADC-SSDOTTSWSA-N	188.658	1.125	50	20	ADGD	
COC(=O)N(C)N=CCCSC	379338350	JDKDOQJLWQRJLV-UHFFFAOYSA-N	190.268	1.424	50	20	ADGD	
COCC(=O)NN=CC1CCCCC1	761823603	GELGCHXBHZKYON-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CC[C@](C)(CNC=C(C#N)C#N)OC	840724717	AIPGHXHIWJJUHG-SNVBAGLBSA-N	193.250	1.322	50	20	ADGD	
C[C@H]1CN(C(=O)Cl)[C@@H](C)CO1	86889799	VTVAFMMTDOMEOT-WDSKDSINSA-N	177.631	1.454	50	20	ADGD	
CCN(C(=O)CCl)C1CCC1	307671033	RLLCSYRUGOSXKK-UHFFFAOYSA-N	175.659	1.626	50	20	ADGD	
COC(=O)NN=C1CCC[C@@H]1C	307978652	NHHCCTUPZLEZGQ-LURJTMIESA-N	170.212	1.518	50	20	ADGD	
C[C@@H](CC(=O)NN(C)C1CC1)C1CC1	819646395	WHKNNBGCFNZNIO-QMMMGPOBSA-N	196.294	1.548	50	20	ADGD	
C[C@@H]1CCC[C@H](CNC(=O)NN)[C@@H]1C	841892040	CAWOQJBVQZZJPC-IWSPIJDZSA-N	199.298	1.232	50	20	ADGD	
O=C(NN=C1CCCC1)C1CC1	5382467	YEJKWCGFJFFOMZ-UHFFFAOYSA-N	166.224	1.443	50	20	ADGD	
CC(C)CC(C)(C)CNC(=O)NN	258694371	GGEWMXXIGPAOEB-UHFFFAOYSA-N	187.287	1.232	50	20	ADGD	
CC(=O)NN=Cc1occc1C	307962959	NPRCPARIURYZNZ-UHFFFAOYSA-N	166.180	1.058	50	20	ADGD	
COCC(=O)NN=C1CCC(C)CC1	761817367	NDSGIVCLEOLTAM-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCCC(=O)NNc1cccc(F)n1	804763425	JRYPARVBRKMLOS-UHFFFAOYSA-N	197.213	1.464	50	20	ADGD	
CC(C)C1(CNC(=O)CCl)CC1	218372744	AESVDCHGKASDFM-UHFFFAOYSA-N	189.686	1.778	50	20	ADGD	
CCC(=O)NN=Cc1ccccc1	252626773	RFLYFVMZHWEKMX-UHFFFAOYSA-N	176.219	1.547	50	20	ADGD	
CC(=O)NN=C1CCC[C@H](C#N)C1	378871764	PIXFJCMRHZVBRI-QMMMGPOBSA-N	179.223	1.192	50	20	ADGD	
CC(C)C(=O)NN=C1CCO[C@@H](C)C1	773189927	APEUSQHRVKWZMY-QMMMGPOBSA-N	198.266	1.314	50	20	ADGD	
CC(F)(F)CCNC(=O)CCl	307692043	QTFPIQJNBNZBMH-UHFFFAOYSA-N	185.601	1.387	50	20	ADGD	
CC(=O)NN=C1CC[C@@H](C)C1	378870302	MAIYDJWYROYKMI-ZCFIWIBFSA-N	154.213	1.299	50	20	ADGD	
CNC(=O)NN=C1CCCC[C@@H]1C	379403202	OSIKXWFLUHMRTP-ZETCQYMHSA-N	183.255	1.482	50	20	ADGD	
O=[S@](O)[C@H](Cl)C(F)(F)F	12410175	ZEJKIEHIDAPZFY-SFOWXEAESA-N	182.550	1.335	50	20	ADGD	
Cc1nc(C(C)C)ccc1C(=O)NN	82480734	VZSUFAFDMOPYER-UHFFFAOYSA-N	193.250	1.117	50	20	ADGD	
C[C@]1(CCl)CCCO1	87230392	AGEQWFQSYQGJDJ-ZCFIWIBFSA-N	134.606	1.794	50	20	ADGD	
C#CC(=O)NNc1ccccc1Cl	306292079	UQDATDIHZIKUGC-UHFFFAOYSA-N	194.621	1.416	50	20	ADGD	
CC[C@@H](C)C=NN(C)C(=O)OC	307951308	OHOXOOATRKINKO-SSDOTTSWSA-N	172.228	1.717	50	20	ADGD	
C[C@@H]1CCCC1=NNC(=O)C(C)(C)O	785466304	QQXLKKUBXSEFBY-SSDOTTSWSA-N	198.266	1.050	50	20	ADGD	
C/C=C(/C)C(=O)NCCCSC#N	854361805	MYWQATSKXGKJSU-BAQGIRSFSA-N	198.291	1.673	50	20	ADGD	
CC(=NN(C)C(N)=O)c1cccs1	379416865	SOYBXBOGNHYMQP-UHFFFAOYSA-N	197.263	1.483	50	20	ADGD	
CC(C)C(=O)NCCCSC#N	388417128	CBWOQCNPBZQQTJ-UHFFFAOYSA-N	186.280	1.363	50	20	ADGD	
CC(=O)NN=Cc1ccc(O)c(F)c1	755466944	BLJMZUJEMYDNDI-UHFFFAOYSA-N	196.181	1.001	50	20	ADGD	
C/C=C(/C=C/C(=O)NNC(C)=O)CC	822163997	PAUNEWIAYDOCMG-PIAAQLDDSA-N	196.250	1.066	50	20	ADGD	
CC/C=C/CNC=C(C#N)C#N	840728970	XTWYFTNAXHEIDS-ONEGZZNKSA-N	161.208	1.473	50	20	ADGD	
CC(=O)NN=C(C)c1scnc1C	308154524	QJBMQXNHDAUVOZ-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CC(=O)NN=C[C@@H]1CCC[C@@H](C)C1	308204369	XLERAJOPURYXNC-PSASIEDQSA-N	182.267	1.935	50	20	ADGD	
CN(N)C(=O)c1cccc2[nH]ccc12	606260908	XCLJBYHCURPKNA-UHFFFAOYSA-N	189.218	1.114	50	20	ADGD	
CCCCC=NNC(=O)c1cc[nH]n1	853392747	TVCPVVCQRKWYEX-UHFFFAOYSA-N	194.238	1.316	50	20	ADGD	
C[C@H](CC(=O)NN)c1ccc(F)cc1	918147462	JAHKHPZHGORMSA-SSDOTTSWSA-N	196.225	1.309	50	20	ADGD	
C[C@H](Cl)C(=O)N1CCC(C)(C)C1	87234523	SDQILTZFSUSEPY-ZETCQYMHSA-N	189.686	1.872	50	20	ADGD	
CCCC1(CNC(=O)CCl)CC1	218375729	PHOHSUCJWVYIHG-UHFFFAOYSA-N	189.686	1.922	50	20	ADGD	
Cc1cnc(NC=C(C#N)C#N)s1	306925984	OJHCUSAEXSFUQR-UHFFFAOYSA-N	190.231	1.794	50	20	ADGD	
COC(=O)NN=C[C@@H]1CCSC1	307965646	BRZQDMOEHXULJI-LURJTMIESA-N	188.252	1.081	50	20	ADGD	
CCOC(=O)NN=Cc1cncs1	308425823	RBBBOUWCWMUFGJ-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
CC(=O)NN=Cc1cccc(F)c1O	755467561	JGGGJBISHAAUQA-UHFFFAOYSA-N	196.181	1.001	50	20	ADGD	
CCC(=NNC(=O)C(C)(C)O)C1CC1	785463942	XXTBTBQKXUDYKK-UHFFFAOYSA-N	198.266	1.050	50	20	ADGD	
CC(C)(C)CCCCNC(=O)NN	841788627	HQBJFGZNUXRHEN-UHFFFAOYSA-N	187.287	1.376	50	20	ADGD	
C=C(CC)C(=O)NCCCSC#N	1349811144	XNGSUBWXONQDNH-UHFFFAOYSA-N	198.291	1.673	50	20	ADGD	
C[C@@H]1CN(C(=O)Cl)[C@H](C)CO1	86889791	VTVAFMMTDOMEOT-PHDIDXHHSA-N	177.631	1.454	50	20	ADGD	
CC(=NNC(=O)N(C)C)C1CCC1	379401055	JXNVUPHSEFAAHA-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
CC(C)(C)c1nnnn1C/C=C/C#N	763306333	ZKKBFBWMYGYEIG-SNAWJCMRSA-N	191.238	1.050	50	20	ADGD	
NC(=O)NN=C1CC2(CCCC2)C1	901123021	JEJIHWADEQYHQE-UHFFFAOYSA-N	181.239	1.365	50	20	ADGD	
Cc1nc(Cl)n(C/C=C\C#N)n1	919741271	WWDKRSUEYBACSU-IHWYPQMZSA-N	182.614	1.320	50	20	ADGD	
N#CC1=CC2(CCNCC2)CCC1=O	2332240922	YXGMDTYZEGTYKK-UHFFFAOYSA-N	190.246	1.169	50	20	ADGD	
ClC[C@H]1COC2(CCC2)O1	134977151	HAFAUXQYXKMRTP-LURJTMIESA-N	162.616	1.521	50	20	ADGD	
CC(C)(C(=O)NN)c1cccc(F)c1	258971294	IGGHTPJKEIRTSD-UHFFFAOYSA-N	196.225	1.093	50	20	ADGD	
COc1ccc(C=NNC(C)=O)s1	308250567	BCPIPZDHWTZSQV-UHFFFAOYSA-N	198.247	1.227	50	20	ADGD	
CN(N)C(=O)[C@@H]1CCCC2(CC2)C1	704635146	JXAXDQNEIFTVOI-MRVPVSSYSA-N	182.267	1.289	50	20	ADGD	
CCCCC(=O)NNC(=O)CC1CC1	819131650	KGZFSNCQCAHPOK-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
CC(=NNC(=O)O)C1CCOCC1	823528388	SQDVWBQIEMOAEB-UHFFFAOYSA-N	186.211	1.057	50	20	ADGD	
CC(=O)NN=C(C)[C@H]1C[C@H]2CC[C@H]1O2	834919582	XPJWNJZABAWRGB-OPRDCNLKSA-N	196.250	1.066	50	20	ADGD	
C[C@H](CCl)Cc1nccn1C	82764907	HSHODDMWISMCMX-ZETCQYMHSA-N	172.659	1.838	50	20	ADGD	
CC(C)(C)CC(=O)NN=CC1CC1	308149808	NQFXZAWZJUUCFZ-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
C[C@H](Cl)C(=O)N1CCC[C@H](F)C1	409422777	IPLBLOOUPJSYRR-BQBZGAKWSA-N	193.649	1.574	50	20	ADGD	
CC(=O)NN=Cc1cc(C)ccc1F	734977423	RHDWAJLEHVXEFR-UHFFFAOYSA-N	194.209	1.604	50	20	ADGD	
CCC(=O)NN=Cc1ccc(C)cn1	761792677	FSPZQUXWMKKCBH-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
CC(=O)NNc1nccnc1C(C)C	772866249	HAOVIUVBSABNMU-UHFFFAOYSA-N	194.238	1.063	50	20	ADGD	
CC(C)[C@@H](O)CN1CC=C(C#N)CC1	814629398	NDHPPDVAXADHAK-NSHDSACASA-N	194.278	1.159	50	20	ADGD	
CN1CC[C@@H](CN=C=S)C1	37485147	BYPFTFDCTGOHNO-ZETCQYMHSA-N	156.254	1.041	50	20	ADGD	
CC(=O)NNc1ccc(C#N)cc1	115895070	JGTMYSCLPBUTSC-UHFFFAOYSA-N	175.191	1.021	50	20	ADGD	
CNC(=O)NN=Cc1sccc1C	388717575	RIQRIFWMCQXUJF-UHFFFAOYSA-N	197.263	1.319	50	20	ADGD	
C/C(=C\C(=O)NN(C)C1CC1)C1CC1	819647232	JWWHIIXVMMBBDH-BQYQJAHWSA-N	194.278	1.468	50	20	ADGD	
CC[C@@H](C)[C@H](C)NC(=O)CCl	42557768	IQXTUZCPBRPMNW-RQJHMYQMSA-N	177.675	1.776	50	20	ADGD	
O=C(Cl)OCc1ccncc1	107123556	VXSZRHMTLXXFCW-UHFFFAOYSA-N	171.583	1.957	50	20	ADGD	
CC(=O)NNc1c(C)cccc1F	306149328	DSHNJICMXAASLQ-UHFFFAOYSA-N	182.198	1.597	50	20	ADGD	
NC(=O)NN=C1CCC(F)(F)CC1	575513157	NEUIUJHSBFLBJG-UHFFFAOYSA-N	191.181	1.220	50	20	ADGD	
CN(NC(=O)c1ccoc1)C1CC1	819643978	WZGDWXYMCUGHMU-UHFFFAOYSA-N	180.207	1.019	50	20	ADGD	
CC(C)(C(=O)NN)c1ccc(F)cc1	84934078	UJRRUYVJYIYGGX-UHFFFAOYSA-N	196.225	1.093	50	20	ADGD	
C=C1C[C@H]1CBr	141925265	GUGHXFXTQNBMGW-YFKPBYRVSA-N	147.015	1.957	50	20	ADGD	
COC(=O)NN=Cc1ccc(O)cc1	254383794	AHPMZHTYSZCTMY-UHFFFAOYSA-N	194.190	1.082	50	20	ADGD	
C=CC[C@H](C)C(C)=NNC(=O)NC	308498293	VEJGWCVATCCLSZ-ZETCQYMHSA-N	183.255	1.504	50	20	ADGD	
CNC(=O)NN=C1CCC[C@@H]2C[C@H]12	841620901	NCWABKRQBIGAPU-RQJHMYQMSA-N	181.239	1.091	50	20	ADGD	
C/C=C/CCCCB(O)O	169872166	WJYNAHVPCZZYBG-NSCUHMNNSA-N	142.007	1.206	50	20	ADGD	
CCNC(=O)NN=CC(C)(C)C	307948683	ARGVNDNATOXTMD-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
N#CC(C#N)=CN[C@@]12CCC[C@@H]1C2	899237538	OHTYWHBWCKMLHC-NXEZZACHSA-N	173.219	1.450	50	20	ADGD	
COc1cc(Cl)nc(CCl)n1	98180170	SYQSHUGCJYCJOW-UHFFFAOYSA-N	193.033	1.877	50	20	ADGD	
OC(CCCl)CCCl	104712276	JLRRTSXYUXLYHF-UHFFFAOYSA-N	157.040	1.605	50	20	ADGD	
NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	123457491	FYAGCEQRKPFMRI-IVZWLZJFSA-N	196.294	1.583	50	20	ADGD	
CCCNC(=O)NN=C(C)CCC	379403535	POFCFGLLUABJOR-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CCC(F)CC1	409422865	JMOFUPPXBKWKOL-ZCFIWIBFSA-N	193.649	1.574	50	20	ADGD	
COCC(=O)NN=C1CCC[C@@H](C)C1	761821641	KUHFSTMCIQHFQW-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
COC(=O)N(C)N=Cc1ccn(C)c1	794963981	RLHCHWOBASMRLO-UHFFFAOYSA-N	195.222	1.057	50	20	ADGD	
CC(=O)NN=C(C)c1ccccc1C	916267666	TUMXJQRIFPQVIQ-UHFFFAOYSA-N	190.246	1.855	50	20	ADGD	
CC[C@H](C)c1ccc(C(=O)NN)cc1	75851314	WRIDJZVIFIWVID-QMMMGPOBSA-N	192.262	1.804	50	20	ADGD	
CCC12COC(CCl)(OC1)OC2	231562778	GHYNHNMCSWFULR-UHFFFAOYSA-N	192.642	1.352	50	20	ADGD	
COCCCC(C)=NNC(=O)C1CC1	759179896	JVIVYXSCBFDXDR-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCc1ccc(/C=C(\C#N)C(N)=O)o1	760213431	PJSBCTRCSRMROD-FNORWQNLSA-N	190.202	1.234	50	20	ADGD	
CN(N=C1CCCCC1(C)C)C(N)=O	767909268	LDKGBOJZXMRLBK-UHFFFAOYSA-N	197.282	1.953	50	20	ADGD	
CCC(=O)NN=Cc1cccn1CC	834921491	WCDMEZXJZOMDBA-UHFFFAOYSA-N	193.250	1.368	50	20	ADGD	
NC(=O)NN=C1CC[C@@H]1C1CCC1	378860795	PQSNJSAFMHYJKS-SSDOTTSWSA-N	181.239	1.221	50	20	ADGD	
CC[C@H](C)C(C)=NNC(=O)NC	393377591	YGIPEIBZBOVQCR-LURJTMIESA-N	171.244	1.337	50	20	ADGD	
COC(=O)NN=C(C)c1occc1C	767744017	XLDXQNVXQBFRCT-UHFFFAOYSA-N	196.206	1.668	50	20	ADGD	
CN(N=C1CCC[C@@H](C#N)C1)C(N)=O	814891047	LWWVERJPTYNJSX-SSDOTTSWSA-N	194.238	1.067	50	20	ADGD	
CCC(=O)NN=C1CCC[C@@H]1F	872327760	JVYLEAWQGTVFPW-LURJTMIESA-N	172.203	1.391	50	20	ADGD	
CC(C)N(CC1CC1)C(=O)CCl	42587436	NUFNXRHXYVRIGW-UHFFFAOYSA-N	189.686	1.872	50	20	ADGD	
C[C@@H]1CC[C@@H](CNC=C(C#N)C#N)O1	840731318	YTPHEDNTOMYMIQ-SCZZXKLOSA-N	191.234	1.075	50	20	ADGD	
CCC(=NNC(=O)OC)[C@@H]1C[C@H]1C	841605562	PVDXPDLJTBKGNV-RNFRBKRXSA-N	184.239	1.764	50	20	ADGD	
CC(C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872333343	JZPNLPXABUYKHF-SFYZADRCSA-N	180.251	1.545	50	20	ADGD	
O=C(CCl)N1C[C@H]2CC=CC[C@H]2C1	170279766	KAZNAKKUMYZUJN-DTORHVGOSA-N	199.681	1.650	50	20	ADGD	
C[C@H](CCl)Cc1cnns1	307226665	BLRPYMYHMIZXDF-YFKPBYRVSA-N	176.672	1.956	50	20	ADGD	
CCC[C@@H]1C[C@H]1C(=O)NN(C)C1CC1	819653076	GVMLRRAMTKZVMJ-PSASIEDQSA-N	196.294	1.548	50	20	ADGD	
CCOCC(C)(C)NC=C(C#N)C#N	840724385	FOQHNDUKLKJWHX-UHFFFAOYSA-N	193.250	1.322	50	20	ADGD	
O=C1CCCC[C@@H](CCl)N1	68575412	PRXGDUYWCDNTNZ-LURJTMIESA-N	161.632	1.284	50	20	ADGD	
CC(=O)NNc1cc(C)ccc1F	306785052	IUGAGBPGEHJOMQ-UHFFFAOYSA-N	182.198	1.597	50	20	ADGD	
C=CC[C@@H](C)C(C)=NNC(=O)NC	308498292	VEJGWCVATCCLSZ-SSDOTTSWSA-N	183.255	1.504	50	20	ADGD	
COC(=O)NN=C[C@@H]1CC=CCC1	308506849	ZPLTWMJVGRVCIN-MRVPVSSYSA-N	182.223	1.685	50	20	ADGD	
CCOC(=O)NN=CC1CCCC1	393723733	PCHXGRNQYYLCJM-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
O=C(NNc1ccccn1)C1CCC1	777473015	UOUTUCZOXNMTAE-UHFFFAOYSA-N	191.234	1.325	50	20	ADGD	
CCC1(CNC(=O)CCl)CCC1	218371796	AKGPOJZXVNUSEZ-UHFFFAOYSA-N	189.686	1.922	50	20	ADGD	
Cc1ccc(C=NN(C)C(N)=O)s1	308276408	VUVZMKUGIMMBPO-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
CNC(=O)NN=CCCC1CC1	388477306	RQZCXPIMZHHWBO-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
CCC(=O)NN=Cc1ccc(F)nc1	777419673	ABYLSRPNDNYYTD-UHFFFAOYSA-N	195.197	1.081	50	20	ADGD	
CCOc1ccc(NNC(C)=O)cc1	817900204	YRCQYTKWWJUZJK-UHFFFAOYSA-N	194.234	1.548	50	20	ADGD	
O=C(CCl)NC[C@@H]1CCCS1	87668065	ULYBXLQPVPUUKM-LURJTMIESA-N	193.699	1.237	50	20	ADGD	
C[C@H](CN=C=O)c1cc(C2CC2)on1	716320268	ROTVRRJBWSJLRR-SSDOTTSWSA-N	192.218	1.991	50	20	ADGD	
Cc1cncc(CNC=C(C#N)C#N)c1	760229044	NNXOKWDVGXXVNG-UHFFFAOYSA-N	198.229	1.411	50	20	ADGD	
O=S(=O)(CCl)NC1CCCC1	82511967	JJDUSENUTOVHKQ-UHFFFAOYSA-N	197.687	1.045	50	20	ADGD	
O=C(Cl)OC[C@@H]1CCOC1	113740171	PHQKIUPPNNKRHG-RXMQYKEDSA-N	164.588	1.398	50	20	ADGD	
C[C@H]1CCC[C@H](C=NNC(N)=O)C1	252677004	PPKHICXCXWLUSJ-YUMQZZPRSA-N	183.255	1.467	50	20	ADGD	
COC(=O)N(C)N=C[C@H]1C[C@@H]1C	379338581	LCZLEVPZWPLPLG-NKWVEPMBSA-N	170.212	1.326	50	20	ADGD	
CC(=NNC(N)=O)c1cccc(C)c1	379404747	UUBKAAAVTFGQEB-UHFFFAOYSA-N	191.234	1.387	50	20	ADGD	
CCC(=O)NN=C(C)[C@@H]1CCCOC1	779758569	NUFGMJCZRQYFEQ-SECBINFHSA-N	198.266	1.315	50	20	ADGD	
CNC(=O)NN=C1CCC[C@@H](C)[C@H]1C	781121906	DGTAKFGJLNREGX-HTQZYQBOSA-N	197.282	1.728	50	20	ADGD	
COC(=O)NN=C(C)c1cnoc1C	799465157	BOQPHINUBZXICT-UHFFFAOYSA-N	197.194	1.063	50	20	ADGD	
CCC(=O)NN=Cc1cccs1	255973672	GEIACGKJMVGCGM-UHFFFAOYSA-N	182.248	1.608	50	20	ADGD	
COC(=O)N(C)N=CC(C)(C)C	307979543	NXSPDGCXFGQWQC-UHFFFAOYSA-N	172.228	1.717	50	20	ADGD	
CCC(=NNC(=O)OC)C1CC1	379311896	SAWLJLLBPFBGON-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
CC(=NNC(=O)N(C)C)c1ccco1	745602649	UUWKIZALEWPDGX-UHFFFAOYSA-N	195.222	1.275	50	20	ADGD	
CCC(=O)NN=C1CCC[C@@H]2C[C@H]12	841603572	MIIMKRKCKGPFPN-SFYZADRCSA-N	180.251	1.689	50	20	ADGD	
CCCCC(=O)NNc1ccncn1	1326558441	ACGPTMWKZNYCKI-UHFFFAOYSA-N	194.238	1.110	50	20	ADGD	
C[C@@H]1CC[C@@H](C)N1C(=O)CCl	117148232	IZEGJNWOOPXVJG-RNFRBKRXSA-N	175.659	1.625	50	20	ADGD	
C[C@H]1CN(C(=O)Cl)CC(C)(C)O1	86894195	BFXOQADBCJWKNZ-LURJTMIESA-N	191.658	1.845	50	20	ADGD	
Cn1cc(OC(=O)Cl)cn1	161398744	MONPQAFZYBJHAX-UHFFFAOYSA-N	160.560	1.158	50	20	ADGD	
Cc1ncccc1CNC(=O)CCl	705562672	POJFFRYEKKSCLS-UHFFFAOYSA-N	198.653	1.245	50	20	ADGD	
CC1(C)CC[C@@H]1NC=C(C#N)C#N	306253457	LMEMWLLZRSPBFU-VIFPVBQESA-N	175.235	1.696	50	20	ADGD	
N#CC(C#N)=CNCCC1CCC1	306641610	MPHAMLKHDQUKRL-UHFFFAOYSA-N	175.235	1.697	50	20	ADGD	
C=CCCC(CC)=NNC(=O)NC	379394288	WZMHKKPQTRQYOD-UHFFFAOYSA-N	183.255	1.648	50	20	ADGD	
CCC(=NNC(N)=O)[C@@H]1C[C@H]1C	383471685	CWMWDERQPADQLO-PHDIDXHHSA-N	169.228	1.077	50	20	ADGD	
CCCC(=NNC(N)=O)[C@@H]1CC1(C)C	397694087	PGDZVLFTEUZUOK-ZETCQYMHSA-N	197.282	1.857	50	20	ADGD	
O=C(O)c1coc(CCl)n1	34621833	BTPLSHAALNTHMU-UHFFFAOYSA-N	161.544	1.112	50	20	ADGD	
Cc1ccncc1NC(=O)CCl	70958851	ZBIGMOWOGCOVMY-UHFFFAOYSA-N	184.626	1.567	50	20	ADGD	
CCC(=NNC(=O)O)C1CC1	736837785	ZWPGHKYTPXYBPA-UHFFFAOYSA-N	156.185	1.430	50	20	ADGD	
CCC(=O)NNc1cc(C)ccc1F	760137031	MTPCXWLBUMRJDX-UHFFFAOYSA-N	196.225	1.987	50	20	ADGD	
CC(C)C(=O)NNc1ccncc1	307565188	CACYGFNXABHHIA-UHFFFAOYSA-N	179.223	1.181	50	20	ADGD	
CNC(=O)NN=C1CCC[C@H](C)[C@@H]1C	781121916	DGTAKFGJLNREGX-YUMQZZPRSA-N	197.282	1.728	50	20	ADGD	
CC1(C)CCC[C@@H](CNC(=O)NN)C1	841914993	KQWCFQMUGOPTAW-MRVPVSSYSA-N	199.298	1.376	50	20	ADGD	
COC(=O)NN=C[C@H]1CC[C@@H](C)C1	388759777	DMQLURAZYZZUMT-SFYZADRCSA-N	184.239	1.764	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@@H]1CC	758374931	KXZQXGLKAJESHN-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
C[C@@H]1CCCC(=NN(C)C(N)=O)[C@@H]1C	781128670	SGCWUXXXJNHDOW-HTQZYQBOSA-N	197.282	1.809	50	20	ADGD	
Cc1ccc(C(=O)NN(C)C2CC2)o1	819640749	FEQIMUQQJHLTSR-UHFFFAOYSA-N	194.234	1.327	50	20	ADGD	
OC[C@@H](Cl)Cc1ccccc1	2539668	XDBGCROHSUMXHQ-VIFPVBQESA-N	170.639	1.829	50	20	ADGD	
CCC[C@@H](CC)NC(=O)CCl	50402930	PBSDIPKWNKLRHZ-SSDOTTSWSA-N	177.675	1.920	50	20	ADGD	
Cc1cccc(C=NNC(N)=O)c1C	252461356	FDMREJVVAHOHTQ-UHFFFAOYSA-N	191.234	1.306	50	20	ADGD	
C#C[C@H](CCC)NC=C(C#N)C#N	306573212	PZRHGZZMLBZACU-SNVBAGLBSA-N	173.219	1.309	50	20	ADGD	
O=C(NNc1ccnc(F)c1)C1CC1	781365479	QFLCCHZZNWKHNY-UHFFFAOYSA-N	195.197	1.074	50	20	ADGD	
O=C(NN=C1CCCC1)c1cn[nH]c1	863156335	WZQOVYRGXFNAMW-UHFFFAOYSA-N	192.222	1.070	50	20	ADGD	
C[C@]1(CCl)CCOC1	85045764	PKEDMWYHMXGAPF-ZCFIWIBFSA-N	134.606	1.652	50	20	ADGD	
CC[C@H]1CCCC(=NN(C)C(N)=O)C1	767908679	CCYPSMNWHGUNMS-QMMMGPOBSA-N	197.282	1.953	50	20	ADGD	
CCCC(CCC)C(=O)NN	3617502	SPBGNIXKTUSIGD-UHFFFAOYSA-N	158.245	1.193	50	20	ADGD	
C=CC[C@@H]1CCCCC1=NNC(N)=O	5290736	UHANQJBFFFOYMT-MRVPVSSYSA-N	195.266	1.777	50	20	ADGD	
CC[C@@H](C#N)[S@@](=O)Cl	307081125	SPBNMIIXIXRPSH-RNHFCUEFSA-N	151.618	1.191	50	20	ADGD	
COC(=O)NN=C1CCC[C@H](C)C1	308490599	RBCHPECMKWCPSX-ZETCQYMHSA-N	184.239	1.909	50	20	ADGD	
C[C@H](C=NNC(N)=O)C(C)(C)C	388520896	XDTLWXNNJSZAIV-ZCFIWIBFSA-N	171.244	1.323	50	20	ADGD	
CC(C)C(=O)NN=C1CC[C@H]1C1CC1	814744323	ILIYICPGMGXQIC-VIFPVBQESA-N	194.278	1.935	50	20	ADGD	
CC1(C)CCCC1=NNC(=O)O	825714934	RSBRGDIYDMLDPJ-UHFFFAOYSA-N	170.212	1.820	50	20	ADGD	
COc1cccc(C=NNC(C)=O)c1	254396078	HZOPARCQLLTSFR-UHFFFAOYSA-N	192.218	1.165	50	20	ADGD	
CC#CCn1cc(C(=O)CCl)cn1	585142834	IMMDCMCRLSNYHT-UHFFFAOYSA-N	196.637	1.328	50	20	ADGD	
CC(C)C(=O)NN=CC1CCOCC1	755541865	IRWMNPCGQJLOBF-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
CCONC(=O)NNc1ccccc1	776210524	HGGBMRNRUBAQMK-UHFFFAOYSA-N	195.222	1.264	50	20	ADGD	
CC[C@H]1CC(=NNC(=O)O)CCO1	826660325	KIBXISJIYHTMSY-ZETCQYMHSA-N	186.211	1.199	50	20	ADGD	
COCC(=O)NN=C1CCCCC1	20828384	ZKOISKTVSUSXEV-UHFFFAOYSA-N	184.239	1.069	50	20	ADGD	
CN(NC(=O)C1[C@@H]2CCC[C@@H]12)C1CC1	819648861	VHGGRMLAFIKJDO-RKDXNWHRSA-N	194.278	1.158	50	20	ADGD	
CCC(=NN(C)C(N)=O)[C@@H]1C[C@@H]1C	841631273	GPJXVBJFBXPYAA-NKWVEPMBSA-N	183.255	1.419	50	20	ADGD	
COC(=O)NN=Cc1cccc(F)c1	916268701	HAFXSNUCKWLIKR-UHFFFAOYSA-N	196.181	1.516	50	20	ADGD	
CC(C)=CC(=O)NNC(=O)C(C)(C)C	918583815	ADCPFLUJBAZIDX-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
CC[C@@H](NC(=O)NN)C1CCCCC1	52344566	YNRHQHILSKVOHZ-SECBINFHSA-N	199.298	1.518	50	20	ADGD	
C[C@H]1CC[C@H](NC(=O)CCl)C1	128622044	KXYPULDXVDGXJG-BQBZGAKWSA-N	175.659	1.530	50	20	ADGD	
N[C@H](CCl)c1cccs1	259394773	NTVMPEJMXXTBOQ-RXMQYKEDSA-N	161.657	1.987	50	20	ADGD	
CCC(=O)NNc1cccc(F)n1	306594238	FDWAEFAAXSVSER-UHFFFAOYSA-N	183.186	1.074	50	20	ADGD	
NNC(=O)/C=C/C1CCCCC1	307708018	IGRSRQNPONNKJQ-VOTSOKGWSA-N	168.240	1.113	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CC[C@@H](F)C1	409422372	DBXUIJFTBRJXSK-PHDIDXHHSA-N	179.622	1.184	50	20	ADGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NN	841785421	CPFJLLRNQJUREP-BDAKNGLRSA-N	199.298	1.518	50	20	ADGD	
COC(=O)N(C)N=C1CCC[C@H]1F	872370964	HUZGMLJXNRJMAI-ZCFIWIBFSA-N	188.202	1.563	50	20	ADGD	
C/C=C/C(=O)NNc1ccc(F)cc1	912710017	CSBBZKITXBIGGF-NSCUHMNNSA-N	194.209	1.845	50	20	ADGD	
C=C(CC)C(=O)NCC(Cl)Cl	1263825109	QXEPPECIQTVDQW-UHFFFAOYSA-N	196.077	1.873	50	20	ADGD	
COC(=O)NCC(Cl)Cl	1997633	UXQJWCPILRWLLL-UHFFFAOYSA-N	172.011	1.146	50	20	ADGD	
Cc1conc1NC=C(C#N)C#N	307272106	IWDVPAVHVMBTNB-UHFFFAOYSA-N	174.163	1.326	50	20	ADGD	
CC(C)CC(=O)NNc1ccccn1	777473584	PBEHYJSTQDILSK-UHFFFAOYSA-N	193.250	1.571	50	20	ADGD	
CCCC(C)=NNC(=O)NCC1CC1	920828683	DFMYQBBNOGVSJB-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
Nc1ncnn2c(CCCl)ccc12	238706089	GQDZMQXLPCTHCC-UHFFFAOYSA-N	196.641	1.093	50	20	ADGD	
CCO/C=C(/C#N)C(=O)N1CCCC1	746507495	UDDPVBWCCZRSTD-HJWRWDBZSA-N	194.234	1.053	50	20	ADGD	
Cc1ccnc(NNC(=O)C2CC2)c1	755838420	KZZWIUFHJZGEPV-UHFFFAOYSA-N	191.234	1.243	50	20	ADGD	
COC[C@H](C)C(C)=NNC(=O)C1CC1	777878634	JGDQGOSJBFMLFQ-ZETCQYMHSA-N	198.266	1.171	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1CCCCO1	920394843	VAHYNBRLUZBJSM-JTQLQIEISA-N	191.234	1.076	50	20	ADGD	
O=C1Cc2ccc(Cl)cc2C(=O)O1	104664200	HGXIBOLLFQZJOL-UHFFFAOYSA-N	196.589	1.580	50	20	ADGD	
N#C/C(=C/c1cncs1)C(=O)O	161404782	SOTSJYLMOAUIJQ-KTAJNNJTSA-N	180.188	1.135	50	20	ADGD	
Cc1cccc([C@H](C)C(=O)NN)c1	259012954	OLFIOCBBOCRZCR-QMMMGPOBSA-N	178.235	1.088	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872344485	VDQVZOYLZKZDEA-HLTSFMKQSA-N	194.278	1.935	50	20	ADGD	
CCOC(=O)NN=C1CC[C@@H](C)C1	378872011	QAKPOOMRZCLAMP-SSDOTTSWSA-N	184.239	1.909	50	20	ADGD	
O=C(NN=CC1CC1)c1ccccn1	755461531	DPCIWWUEIFOOHI-UHFFFAOYSA-N	189.218	1.207	50	20	ADGD	
COC(=O)NN=Cc1[nH]c(C)cc1C	760220053	XTKZHTOEVDGVLQ-UHFFFAOYSA-N	195.222	1.321	50	20	ADGD	
CCNC(=O)NN=C1CCC12CCC2	799876933	GGRPVRKLHAPKQX-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
CCC(=O)NN=C1C[C@H](C)O[C@H](C)C1	834919839	DCWBRSXDRMILAB-OCAPTIKFSA-N	198.266	1.456	50	20	ADGD	
CC(=O)NN=C(C)CC(C)(C)C#N	853257494	CGLUMAKPRDRNJX-UHFFFAOYSA-N	181.239	1.438	50	20	ADGD	
CC(=NNC(=O)c1cc[nH]n1)C(C)C	853393068	SBUMWOHGYWOKLC-UHFFFAOYSA-N	194.238	1.171	50	20	ADGD	
O=C/C=C/COC(=O)c1ccccc1	75579543	JWJNIXCNQIEJFB-SNAWJCMRSA-N	190.198	1.599	50	20	ADGD	
Cc1cc(C=NNC(N)=O)c(C)s1	252464073	BKLXIUNJLVXMHO-UHFFFAOYSA-N	197.263	1.367	50	20	ADGD	
COC(=O)NN=Cc1ncccc1C	781572591	VFWFEPKBKPUPAM-UHFFFAOYSA-N	193.206	1.080	50	20	ADGD	
CC(C)C=NNC(=O)NC1CCCC1	755673522	OGKOOAGXLPYZEL-UHFFFAOYSA-N	197.282	1.870	50	20	ADGD	
C=C(C)COC(=O)/C(C#N)=C\C1CC1	786674483	UOOTUBDLUMACLP-YHYXMXQVSA-N	191.230	1.966	50	20	ADGD	
CC(C)[C@H](C)N(C)C(=O)CCl	37504696	NFMYCQPQRCAZJQ-ZETCQYMHSA-N	177.675	1.728	50	20	ADGD	
CC[C@H]1CCC[C@@H](NC(=O)NN)C1	82847397	IKUHWWCDJLULOK-JGVFFNPUSA-N	185.271	1.128	50	20	ADGD	
CC(C)CCCCC(=O)N(C)N	258972761	IKMURZJJICOQNO-UHFFFAOYSA-N	172.272	1.535	50	20	ADGD	
CC[C@@H]1C[C@@H](C)CN1C(=O)CCl	306292117	USVKHCSLAZFJFG-HTQZYQBOSA-N	189.686	1.872	50	20	ADGD	
CCc1onc(C)c1C=NNC(C)=O	901122840	GALOEEJWVWPCJH-UHFFFAOYSA-N	195.222	1.015	50	20	ADGD	
C[C@@H]1CN(C(=O)Cl)CCCO1	86894266	GYIYIQLBKZQYSC-ZCFIWIBFSA-N	177.631	1.456	50	20	ADGD	
CC(CCC1CC1)=NNC(N)=O	307967287	SJCLAUGDUMGPAQ-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
O=C(NN=CCC(F)(F)F)C1CC1	817322368	UYDNULQTJLULMZ-UHFFFAOYSA-N	194.156	1.451	50	20	ADGD	
Cc1cc(C)cc(CCC(=O)NN)c1	825652445	SYLRUDVVEVZUGI-UHFFFAOYSA-N	192.262	1.226	50	20	ADGD	
C[C@@H]1CCC(=NNC(N)=O)[C@H](C)C1	252473767	XCFJKZPTBRVFMI-RNFRBKRXSA-N	183.255	1.467	50	20	ADGD	
CC(=O)NN=Cc1sccc1C	379323657	RXWCKCLCTLBQPM-UHFFFAOYSA-N	182.248	1.527	50	20	ADGD	
CCc1ccc(C=NN(C)C(N)=O)o1	767904260	OIAUDDMQMACUQA-UHFFFAOYSA-N	195.222	1.186	50	20	ADGD	
NNC(=O)/C(F)=C/C1CCCCC1	825639781	TZLRSKHMTONGCY-VURMDHGXSA-N	186.230	1.410	50	20	ADGD	
C/C=C(\Br)C=O	2014835	DOZLVLCBCZGSSH-RQOWECAXSA-N	148.987	1.484	50	20	ADGD	in-vitro
ClCCc1cncnc1	60711190	HXQFYYFWIGTZFE-UHFFFAOYSA-N	142.589	1.258	50	20	ADGD	
CNC(=O)NN=C[C@@H](C)CC(C)C	308414354	MQWFINTXVJUOEF-QMMMGPOBSA-N	185.271	1.583	50	20	ADGD	
C[C@@H]1CCC(=NN(C)C(N)=O)C[C@H]1C	767385303	HJPXKLVTSDRIKU-HTQZYQBOSA-N	197.282	1.809	50	20	ADGD	
COC(=O)N(C)N=Cc1occc1C	794961186	IGIGVJSUQQXEFZ-UHFFFAOYSA-N	196.206	1.620	50	20	ADGD	
CC(C)OC(=O)[C@H](F)Br	2332240063	AEIDTMOTHWKBSU-BYPYZUCNSA-N	199.019	1.629	50	20	ADGD	
C[C@@H]1C[C@H]1C(=O)NCC(Cl)Cl	307183059	OVLXJHBJVLAHKN-RFZPGFLSSA-N	196.077	1.562	50	20	ADGD	
CC(=O)NN=C[C@H]1CCCC[C@H]1C	308279626	WMKZOSCIHMCASO-PSASIEDQSA-N	182.267	1.935	50	20	ADGD	
CC[C@@H]1CCC1=NNC(C)=O	388164407	YAOWPVVEIYVXCC-SSDOTTSWSA-N	154.213	1.299	50	20	ADGD	
CC1(C#N)CCC(=NNC(N)=O)CC1	834914109	JUQRYJYYGUPRAJ-UHFFFAOYSA-N	194.238	1.115	50	20	ADGD	
ClCCOCC1CC1	36883177	IOZACZOERDRSOR-UHFFFAOYSA-N	134.606	1.652	50	20	ADGD	
C[C@@H](CCl)CC[S@](C)=O	306571734	GHYPKZXSMALBJT-MUWHJKNJSA-N	168.689	1.630	50	20	ADGD	
CNC(=O)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	755661172	LDCIAEUJNOKFNO-CIUDSAMLSA-N	193.250	1.113	50	20	ADGD	
COCC(C)(C)CNC=C(C#N)C#N	793676201	YAZSHLBUAUTKQU-UHFFFAOYSA-N	193.250	1.180	50	20	ADGD	
CCOC[C@H](C)CCl	70066767	OSSIAZBJVIYWQR-ZCFIWIBFSA-N	136.622	1.898	50	20	ADGD	
CCC(=NNC(N)=O)c1ccsc1	382121315	MUIJROBLMRYGLM-UHFFFAOYSA-N	197.263	1.531	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)C1CC1	393329201	YVICSOZXTGJGQS-SSDOTTSWSA-N	168.240	1.545	50	20	ADGD	
NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714448772	NGTKRMZMRZZCKY-LPEHRKFASA-N	196.294	1.583	50	20	ADGD	
Cc1ncc([N+](=O)[O-])n1C/C=C/C#N	763304001	KHEPOYYTLKDZSK-NSCUHMNNSA-N	192.178	1.180	50	20	ADGD	
N[C@@H](CCl)c1ccccc1	34616270	YZLUVSDGJWNNQY-QMMMGPOBSA-N	155.628	1.925	50	20	ADGD	
CC/C=C(/C)C(=O)NN(C)C1CC1	819646341	SZJHYJUDFHDAHG-YVMONPNESA-N	182.267	1.468	50	20	ADGD	
CS[C@@H](C(=O)NN)c1ccccc1	82472797	ZJXRLCSJKFYJRO-MRVPVSSYSA-N	196.275	1.081	50	20	ADGD	
CC(C)OCCCNC=C(C#N)C#N	747824576	ZEKOLHLZBKNGGS-UHFFFAOYSA-N	193.250	1.322	50	20	ADGD	
CCOC(=O)NN=C1CCC[C@@H]1F	872326359	GEFQQBNCDXLLCR-LURJTMIESA-N	188.202	1.611	50	20	ADGD	
C[C@@H](Cl)C(=O)NC/C=C/C1CC1	379178699	OFIUHNWFVBSHTP-TYWZFMJISA-N	187.670	1.696	50	20	ADGD	
C=C(C)CCC(=O)NN(C)C1CC1	1336000546	OTUVPLUIYWGGMZ-UHFFFAOYSA-N	182.267	1.468	50	20	ADGD	
COC[C@@]1(CCl)CCCCO1	306378712	UBWPCPCTLOQVHS-QMMMGPOBSA-N	178.659	1.811	50	20	ADGD	
CCCNC(=O)NN=C[C@@H]1C[C@H]1C	382022265	OPIZBQQOPPZBRP-SFYZADRCSA-N	183.255	1.337	50	20	ADGD	
O=C(NCC1CC1)NN=C1CCCC1	920830933	URJMYQZZTMECIE-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
Nc1nc(CCCCl)cs1	145296621	OQMGWRRBJOZEBU-UHFFFAOYSA-N	176.672	1.897	50	20	ADGD	
C#CCCn1cc(C(=O)CCl)cn1	585142871	GNLXWOBIWBDCFR-UHFFFAOYSA-N	196.637	1.328	50	20	ADGD	
C=C(C)Cn1cc(C(=O)CCl)cn1	585142978	LIVDDEHKYHZNQR-UHFFFAOYSA-N	198.653	1.881	50	20	ADGD	
CCC(CC)=NNC(=O)c1ccc[nH]1	725854536	RXAMHMXZKVELBX-UHFFFAOYSA-N	193.250	1.921	50	20	ADGD	
CC(=O)NNc1cc(C)ccc1C	201206082	NPTGBSKOMODOLC-UHFFFAOYSA-N	178.235	1.766	50	20	ADGD	
CO[C@]1(C)CC(=NNC(C)=O)C1(C)C	746559053	RFBPUYCRDMMXQL-SNVBAGLBSA-N	198.266	1.314	50	20	ADGD	
CNC(=O)NN=C/C=C/c1ccco1	920377918	PXFCVSJNJAIYHZ-MPSAZFEMSA-N	193.206	1.208	50	20	ADGD	
CC(=O)NN=C1CCC(C)CC1	5427395	OBVFHVLOXJQQGS-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
CC(C)CCC[C@@H](C)NC(=O)NN	42595746	ZORGNRWBDYKWNE-MRVPVSSYSA-N	187.287	1.374	50	20	ADGD	
Cc1ccc(/C=C/C=O)cn1	162457138	FAEVNAFKDXGGCJ-NSCUHMNNSA-N	147.177	1.602	50	20	ADGD	
CC[C@H](C)C=NNC(=O)N(C)C	307959129	UMIURWIMLMFBHB-ZETCQYMHSA-N	171.244	1.290	50	20	ADGD	
CC(C)CCC(=NNC(N)=O)C1CC1	308519934	HEKUUIBQFYVMKF-UHFFFAOYSA-N	197.282	1.857	50	20	ADGD	
COC(=O)N(C)N=CC1(C)CC1	379338330	ISWNNCNTSJOBFT-UHFFFAOYSA-N	170.212	1.471	50	20	ADGD	
CC(=O)NN=Cc1ccc(C)c(F)c1	731485902	HFYZKXMBASHREG-UHFFFAOYSA-N	194.209	1.604	50	20	ADGD	
Cc1ncncc1C(=O)Cl	26461871	WEZVJUOASGMRBS-UHFFFAOYSA-N	156.572	1.164	50	20	ADGD	
CCc1coc(CCl)n1	104723811	PFVJIYLUKRACDJ-UHFFFAOYSA-N	145.589	1.976	50	20	ADGD	in-vitro
ClC[C@@H]1COC2(CCC2)O1	134977173	HAFAUXQYXKMRTP-ZCFIWIBFSA-N	162.616	1.521	50	20	ADGD	
CSSCCNC(=O)C(C)C	307917350	BQRGZJSCNGBYBS-UHFFFAOYSA-N	193.337	1.770	50	20	ADGD	
O=C(NN=CC1CCCC1)C1CC1	308354836	AODNAUBFIBAZOE-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
NNC(=O)CCCc1ccc(F)cc1	84934099	DFPGLGDOGSSFII-UHFFFAOYSA-N	196.225	1.138	50	20	ADGD	
CC(=O)NN=Cc1ccsc1	307886459	VPEHJERTDDYJOA-UHFFFAOYSA-N	168.221	1.218	50	20	ADGD	
NNC(=O)[C@@H](c1ccccc1)C1CC1	825652432	SESBUHJWLQYCBY-JTQLQIEISA-N	190.246	1.170	50	20	ADGD	
C[C@@H]1CC(C)(C)CN1C(=O)CCl	1327857552	HXFYMSBXIWGHFZ-SSDOTTSWSA-N	189.686	1.872	50	20	ADGD	
N#CC1=C[C@@H](Br)CC1	39258652	VIJFDNKQXWCYTH-LURJTMIESA-N	172.025	1.994	50	20	ADGD	
CCCOC(=O)/C(C#N)=C\C1CC1	308230810	OQEXPBHKKIKFFH-TWGQIWQCSA-N	179.219	1.800	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)N(C)C	388584587	HDABPHBDDLOSLZ-SSDOTTSWSA-N	183.255	1.434	50	20	ADGD	
CC(=NNC(=O)O)C1CCCC1	736121588	OALFXYVZUBQRLM-UHFFFAOYSA-N	170.212	1.820	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)NCC1CC1	755669320	VVPKFSBHJOXMFT-MRVPVSSYSA-N	197.282	1.728	50	20	ADGD	
C=C[C@@H](C)N/C=C(\C#N)C(=O)OCC	756775073	MFPLXCSIHNHHSH-KGOFQHAKSA-N	194.234	1.121	50	20	ADGD	
C=C[C@](C)(CC)C(=O)NN(C)C1CC1	819651781	VJCMYKKGENNROA-LLVKDONJSA-N	196.294	1.714	50	20	ADGD	
C=C(CBr)[C@@H](C)O	38949249	DOAIDTIGLBTDQG-RXMQYKEDSA-N	165.030	1.318	50	20	ADGD	
CC1CC(=NNC(=O)NC(C)C)C1	306849318	NPSKYHRCIWKOGN-UHFFFAOYSA-N	183.255	1.480	50	20	ADGD	
CC(C)CC(=O)NN=C[C@H]1C[C@H]1C	379412086	JKWPNIVYHLZKSX-RKDXNWHRSA-N	182.267	1.791	50	20	ADGD	
CC(C)=NNC(=O)N=c1cc[nH]cc1	815001924	ZLHYFMDWSCKVTF-UHFFFAOYSA-N	192.222	1.021	50	20	ADGD	
CCC/C=C/C(=O)NN(C)C1CC1	819643654	IVDKKTKQDLVEKV-AATRIKPKSA-N	182.267	1.468	50	20	ADGD	
CCC(CC)=NNC(=O)c1cn[nH]c1	863156334	WXWDHGHZTFYQRO-UHFFFAOYSA-N	194.238	1.316	50	20	ADGD	
NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	250820154	FYAGCEQRKPFMRI-KXUCPTDWSA-N	196.294	1.583	50	20	ADGD	
CC(C)C(=O)NNc1cccc(F)c1	748089080	NVRZPCZCMTUJII-UHFFFAOYSA-N	196.225	1.925	50	20	ADGD	
CC(C)NC(=O)NNc1ccccn1	915879009	PJGLTPMJLPYCKX-UHFFFAOYSA-N	194.238	1.116	50	20	ADGD	
CCCN(CC)C(=O)CCl	37023908	QYCUBRKBUVRFKJ-UHFFFAOYSA-N	163.648	1.484	50	20	ADGD	
CC(C)C(=O)NN=Cc1cscn1	308165267	XJYKUBMERPSTPR-UHFFFAOYSA-N	197.263	1.249	50	20	ADGD	
CCC(=O)NN=C1CCCOCC1	308323171	ZZWMTUGWSFEDLE-UHFFFAOYSA-N	184.239	1.069	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CCC(F)(F)C1	763108343	MZFRNQHYEYTLIS-MRVPVSSYSA-N	197.188	1.695	50	20	ADGD	
CCCC(C)(C)NC(=O)CCl	135280097	QIODFEWAXDXRDR-UHFFFAOYSA-N	177.675	1.920	50	20	ADGD	
ClC[C@@H]1CCCc2cncn21	147604782	ACKKWPZUAQIBFP-ZETCQYMHSA-N	170.643	1.999	50	20	ADGD	
CC1CC(=NNC(=O)C(C)C)C1	306426328	VFSPNFXCKFZYSQ-UHFFFAOYSA-N	168.240	1.545	50	20	ADGD	
C[C@@H](CCl)Cc1cnns1	307226534	BLRPYMYHMIZXDF-RXMQYKEDSA-N	176.672	1.956	50	20	ADGD	
CC[C@@H](C)CCC(=O)NN(C)C1CC1	819652316	KXXILSOICJHDKF-SECBINFHSA-N	198.310	1.938	50	20	ADGD	
CN(NC(=O)C1CC1)c1ccccc1	920861993	FWKVPJOWSDLJEI-UHFFFAOYSA-N	190.246	1.564	50	20	ADGD	
CN(N=C1CC2(CCC2)C1)C(N)=O	307293785	MRZCRIQHAOSKBP-UHFFFAOYSA-N	181.239	1.317	50	20	ADGD	
CCC(C)=NNC(=O)CC(F)(F)F	388593179	MTLDPCUZBGTWCP-UHFFFAOYSA-N	196.172	1.841	50	20	ADGD	
CCCC=NNC(=O)[C@H]1CCO[C@@H]1C	842561728	MOZWYPQXWTXIEK-BDAKNGLRSA-N	198.266	1.314	50	20	ADGD	
Cc1ncc(NC(=O)CCl)s1	1347092055	UVIVTWSCFCNZBM-UHFFFAOYSA-N	190.655	1.629	50	20	ADGD	
CC(C)(C)[C@H](Cl)C=O	39234281	XUOMQVSEWBWEBA-RXMQYKEDSA-N	134.606	1.839	50	20	ADGD	
C[C@H]1CCCN(C(=O)CCl)[C@@H]1C	50564693	JDCCHAJLWPCGMH-JGVFFNPUSA-N	189.686	1.872	50	20	ADGD	
CC[C@H]1[C@@H](C(=O)O)[C@@H]1Cl	536953538	ISMAHACOZMEGFP-VPENINKCSA-N	148.589	1.334	50	20	ADGD	
N#CCCn1cc(C(=O)CCl)cn1	585143067	QMRNKNFDSKUYEG-UHFFFAOYSA-N	197.625	1.218	50	20	ADGD	
C[C@@]1(NC=C(C#N)C#N)CCCOC1	771521186	RHNYYLQJYJCLMY-SNVBAGLBSA-N	191.234	1.076	50	20	ADGD	
CC1(C)CCC[C@@H](NC(=O)NN)C1	166875161	QVKIJCPYEULQMX-SSDOTTSWSA-N	185.271	1.128	50	20	ADGD	
CN(Cc1nccs1)C(=O)Cl	306239448	QKMDRDNBIYWOND-UHFFFAOYSA-N	190.655	1.934	50	20	ADGD	
COC(=O)N(C)N=Cc1ccoc1C	841636277	JFOWTZXUDCNJBT-UHFFFAOYSA-N	196.206	1.620	50	20	ADGD	
CN(N=Cc1ccc(F)cc1)C(N)=O	767904725	QJWSEIMSPPCEPL-UHFFFAOYSA-N	195.197	1.170	50	20	ADGD	
CC(C)C(=O)NN=C1C[C@H]2CC[C@H]1C2	814744618	MWTCYYMGQGMOTH-IUCAKERBSA-N	194.278	1.935	50	20	ADGD	
CC(C)[C@H]1CC[C@H](C(=O)NN)CC1	825652027	NCGPXOMAVRGYCH-KYZUINATSA-N	184.283	1.439	50	20	ADGD	
C[C@@H]([C@@H](C)C(=O)N(C)N)C(C)(C)C	1573397832	BMHGZISHIUYYAZ-SFYZADRCSA-N	186.299	1.637	50	20	ADGD	
C[C@]12CC=CC[C@H]1C(=O)OC2=O	64633517	SOOZEQGBHHIHEF-RCOVLWMOSA-N	166.176	1.042	50	20	ADGD	in-vitro
C[C@@H]1CC[C@@H](NC(=O)CCl)C1	128622234	KXYPULDXVDGXJG-RNFRBKRXSA-N	175.659	1.530	50	20	ADGD	
CNC(=O)NN=C(C)CCC1CC1	308448698	CLGGBCYPBAKFCY-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CCOC(=O)NN=C(C)c1ccoc1	755871845	MGDHEIOHJSZHAP-UHFFFAOYSA-N	196.206	1.750	50	20	ADGD	
CC(C)(F)C(=O)NNc1ccccn1	777474776	VDPMABSNXNALKU-UHFFFAOYSA-N	197.213	1.273	50	20	ADGD	
CCC[C@H](NC(=O)NN)C1CCCC1	841916329	USBVNWOWVBJIKK-VIFPVBQESA-N	199.298	1.518	50	20	ADGD	
CC(C)C(=O)NN=C1CCC[C@H]1F	872333585	SNGCKYUEWHJAOC-SSDOTTSWSA-N	186.230	1.637	50	20	ADGD	
CNC(=O)/C(C#N)=C/c1ccccc1	75577155	NSYFWCIFXIOERH-JXMROGBWSA-N	186.214	1.340	50	20	ADGD	
CCC(=O)NN=C1CC[C@H]1CC	307992224	UGSPQBHSWKDIQR-SSDOTTSWSA-N	168.240	1.689	50	20	ADGD	
CC(=O)NN=Cc1cc(C)sc1C	308135002	DRGZUGAIEPNKIU-UHFFFAOYSA-N	196.275	1.835	50	20	ADGD	
CC(C)C(=O)NN=Cc1cc[nH]c1	308166353	XWAFSCXGKKOMGZ-UHFFFAOYSA-N	179.223	1.121	50	20	ADGD	
O=C(NN=CC1CC1)c1cccnc1	755465739	PJZAYDCYGDIKQB-UHFFFAOYSA-N	189.218	1.207	50	20	ADGD	
CCN(CC(C)C)C(=O)CCl	37023912	NFYZIEFIGBHLBZ-UHFFFAOYSA-N	177.675	1.730	50	20	ADGD	
O=[N+]([O-])c1cc2n(c1)C=CN[C@H]2Cl	40448711	DQHMLPTYBMROHV-SSDOTTSWSA-N	199.597	1.665	50	20	ADGD	
O=[S@@](Cl)C(Cl)Cl	141882240	NEIDSGYCIHZSSN-LURJTMIESA-N	167.444	1.650	50	20	ADGD	
COC(=O)NN=C(C)CCC1CC1	308385231	WLPOHCMYCXFXTI-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
C=C(C)CNC(=O)/C(C#N)=C/OCC	779130451	UNBQYHWPFWKCPG-VQHVLOKHSA-N	194.234	1.123	50	20	ADGD	
CCNC(=O)NN=C1CCCC[C@H]1C	920827348	JKXAHEKDHXCBDG-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
NC(=O)NN=CCCc1ccccc1	254707958	PZXJVYVSIYGNKN-UHFFFAOYSA-N	191.234	1.273	50	20	ADGD	
CCCCCC=NNC(=O)NCC	308246552	WKQRZKUYGMISON-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
COC(=O)NN=C1CC[C@@H]1C1CC1	378794874	PREFDCIBVJSAAF-SSDOTTSWSA-N	182.223	1.518	50	20	ADGD	
CC[C@H]1[C@@H](C=O)[C@@H]1Cl	536955006	NEXJDLJGGUKVGO-KVQBGUIXSA-N	132.590	1.449	50	20	ADGD	
C=C(C)COC(=O)/C(C#N)=C/C1CC1	786674482	UOOTUBDLUMACLP-BJMVGYQFSA-N	191.230	1.966	50	20	ADGD	
CCOC(=O)NN=C1C[C@H]2CC[C@H]1C2	814693528	VTDULWMYWLFOSJ-YUMQZZPRSA-N	196.250	1.909	50	20	ADGD	
COC(=O)NN=C(C)CCCCC#N	841603411	CRHCZWJIPIJQIU-UHFFFAOYSA-N	197.238	1.802	50	20	ADGD	
CC(=O)NN=C(C)c1sccc1C	308137740	GMABICAEMCDQBZ-UHFFFAOYSA-N	196.275	1.917	50	20	ADGD	
CCC[C@@H](C)C(=O)NN(C)C1CC1	819647463	PQPUZSLQFBMXRC-MRVPVSSYSA-N	184.283	1.548	50	20	ADGD	
C[C@H](CCC(=O)NN)c1ccccc1	825652539	WFPRBQPRFSKDJA-SECBINFHSA-N	192.262	1.560	50	20	ADGD	
CCC[C@H]1CCC[C@H]1C(=O)NN	852874370	OQTSOPHZIMNSPW-JGVFFNPUSA-N	170.256	1.193	50	20	ADGD	
O=C(CCl)Nc1ncc(C2CC2)[nH]1	1333572138	UVOZKGFXPMBCPB-UHFFFAOYSA-N	199.641	1.464	50	20	ADGD	
C[C@H]1C[C@@H]1C(=O)N1CC=C(C#N)CC1	767159450	DAUJBNOXCVHZHS-WPRPVWTQSA-N	190.246	1.325	50	20	ADGD	
CC(=NNC(=O)CCO)C1CCCC1	1319364770	JMSAMMYKTMOXRU-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
O=C(Cl)O[C@H]1CCCOC1	214975046	RQYOONSJAHZNNP-YFKPBYRVSA-N	164.588	1.541	50	20	ADGD	
CC(C)C[C@H](C)CC(=O)NN	307700661	MEULYBOBYAILJO-ZETCQYMHSA-N	158.245	1.049	50	20	ADGD	
COC(=O)NN=C(C)c1cc(C)on1	790282708	YYOFEYOZIOGWMK-UHFFFAOYSA-N	197.194	1.063	50	20	ADGD	
CCc1ccc(C(C)=NNC(C)=O)o1	752155764	SOEVMQOLGGMCNZ-UHFFFAOYSA-N	194.234	1.702	50	20	ADGD	
CC[C@H](F)C(=O)NNc1ccccc1	1336404943	NGIJQCVRPRGSIF-VIFPVBQESA-N	196.225	1.878	50	20	ADGD	
C[C@H](NC(=O)CCl)c1cccnc1	35689520	YRUJINDMLFMFFR-ZETCQYMHSA-N	198.653	1.498	50	20	ADGD	
NC(=O)NN=Cc1cccc(Cl)c1	252447168	GQRIEQGLICNJRB-UHFFFAOYSA-N	197.625	1.342	50	20	ADGD	
CC[C@H](C)CCNC=C(C#N)C#N	849175354	UVKKZPHSKUEPID-VIFPVBQESA-N	177.251	1.943	50	20	ADGD	
Cc1cccc(C=NN(C)C(N)=O)c1	767908706	VTZQSXSFCXCDSX-UHFFFAOYSA-N	191.234	1.339	50	20	ADGD	
COC(=O)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	793110586	MRGVAZYWSFFVKK-XHNCKOQMSA-N	194.234	1.540	50	20	ADGD	
CCC[C@@H](CNC=C(C#N)C#N)OC	840727710	QVPRNWILBMSFMN-JTQLQIEISA-N	193.250	1.322	50	20	ADGD	
CCCC[C@@H](C(=O)NN)C(C)C	857002873	LYWAJWMNSBUYFA-MRVPVSSYSA-N	172.272	1.439	50	20	ADGD	
ClCCCc1csnn1	306301699	LRTUIUMVFRAUNG-UHFFFAOYSA-N	162.645	1.710	50	20	ADGD	
CC1(C)CCC(CC(=O)NN)CC1	825651674	HBVSBCSOYQBXHD-UHFFFAOYSA-N	184.283	1.583	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1CC=CCC1	921021804	RBMLGDNBQAAWDO-JTQLQIEISA-N	187.246	1.863	50	20	ADGD	
C/C(C#N)=C/CSC[C@@H](C)C(=O)O	1589323353	AJOWHOLXONJDKC-LSFDQVSLSA-N	199.275	1.910	50	20	ADGD	
Cc1ccccc1/C=C(/C#N)C(=O)O	199728006	ACBYSKAQFAAWKH-POHAHGRESA-N	187.198	1.987	50	20	ADGD	
C[C@H]1CCCCCC1=NNC(N)=O	379339304	LJBRRJFCLMMSCL-ZETCQYMHSA-N	183.255	1.611	50	20	ADGD	
CC[C@H]1CCCC[C@H]1NC(=O)NN	42583115	RGBQDQYEIITAJS-JGVFFNPUSA-N	185.271	1.128	50	20	ADGD	
O=C(Cl)OC[C@H]1CCCCO1	140139041	WBLNBTLSRYZFBO-ZCFIWIBFSA-N	178.615	1.931	50	20	ADGD	
COCC1(CCl)CCOCC1	163518144	LBGUDYVSOBFLCJ-UHFFFAOYSA-N	178.659	1.668	50	20	ADGD	
OB(O)CCCCc1ccccc1	198961013	JSSAQPFIBRNXNS-UHFFFAOYSA-N	178.040	1.482	50	20	ADGD	
C#CCCOC(=O)/C(C#N)=C/C1CC1	786676117	OISUONGVORFBIY-JXMROGBWSA-N	189.214	1.413	50	20	ADGD	
CCC(=NNC(=O)OC)c1ccco1	814692521	JYJYDRCJORCGHT-UHFFFAOYSA-N	196.206	1.750	50	20	ADGD	
O=C(CCl)C(F)F	38948620	LJBBGZSQSZUWEV-UHFFFAOYSA-N	128.505	1.059	50	20	ADGD	
COC(=O)NN=C(C)c1ccccc1	714461433	ZTHZAPSVRRTCSR-UHFFFAOYSA-N	192.218	1.767	50	20	ADGD	
CCOC(=O)NN=C1CCC[C@H]2C[C@@H]12	800804801	DFKDCZCAVCHFPW-JGVFFNPUSA-N	196.250	1.909	50	20	ADGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NN	841850305	KGZGQOUESACBKN-JGVFFNPUSA-N	199.298	1.374	50	20	ADGD	
CC[C@@H](F)C(=O)NNc1ccccc1	1336404942	NGIJQCVRPRGSIF-SECBINFHSA-N	196.225	1.878	50	20	ADGD	
C=C1C[C@H]1CCl	104734486	NHZFFAWWSQLSQD-YFKPBYRVSA-N	102.564	1.801	50	20	ADGD	
CCC(=O)NN=C1CCC12CCC2	393720664	SEUPZIAHIBANOE-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1CO[C@@H](C)C1	842524044	IHFNNGFEJCNBSN-YUMQZZPRSA-N	198.266	1.314	50	20	ADGD	
CCCNC(=O)NN=C1C=C(C)CC1	920989645	PCFGJBUDEIWSSN-UHFFFAOYSA-N	195.266	1.792	50	20	ADGD	
O=C1OC(=O)c2c1cnc1ccccc21	100406726	HHSFODPMAPTFQF-UHFFFAOYSA-N	199.165	1.545	50	20	ADGD	
C[C@H]1CCC(=NNC(N)=O)[C@@H](C)C1	252473765	XCFJKZPTBRVFMI-BQBZGAKWSA-N	183.255	1.467	50	20	ADGD	
Cc1cc(C)cc(C=NNC(N)=O)c1	252668155	SPGLDNVUYBCXBH-UHFFFAOYSA-N	191.234	1.306	50	20	ADGD	
C[C@H](CCl)Cc1ncnn1C	85044183	HFLBUSPLMREODE-LURJTMIESA-N	173.647	1.233	50	20	ADGD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)Cl	86894037	XZXKIOKWKIFBNY-NKWVEPMBSA-N	191.658	1.845	50	20	ADGD	
C[C@H]1CSC[C@@H]1NC=C(C#N)C#N	306554242	KDUBPOYVEFJMBY-CBAPKCEASA-N	193.275	1.259	50	20	ADGD	
CC(=O)NN=Cc1cc(C#N)cs1	308145947	LQEZUVIACMWEEF-UHFFFAOYSA-N	193.231	1.090	50	20	ADGD	
C#CCn1nc2c(c1CCl)CCC2	409438055	JUOPQDOOEBUFQK-UHFFFAOYSA-N	194.665	1.744	50	20	ADGD	
Cc1cccnc1CNC=C(C#N)C#N	729664293	MLTXUWZLKMTKMW-UHFFFAOYSA-N	198.229	1.411	50	20	ADGD	
C[C@@H]1C[C@H](NC=C(C#N)C#N)CCO1	769551448	LBYNKVCVTQBILY-PSASIEDQSA-N	191.234	1.075	50	20	ADGD	
C=CCn1cc(C(=O)CCl)cn1	585142768	FCDZLQPGPQZPJZ-UHFFFAOYSA-N	184.626	1.491	50	20	ADGD	
CCC(=O)NN=Cc1ccc(CC)o1	760225392	SXXNQPFJPDQOPN-UHFFFAOYSA-N	194.234	1.702	50	20	ADGD	
ClCCCC[C@H]1CO1	104716122	VOUIEAZSNLLDLK-LURJTMIESA-N	134.606	1.794	50	20	ADGD	
Cc1cc2n(CCCl)ccn2n1	409437285	FRKCFGASHAEZOF-UHFFFAOYSA-N	183.642	1.683	50	20	ADGD	
CN(N)C(=O)C1CCC2(CC1)CC2	704636343	WLOGLWYBKMXHKP-UHFFFAOYSA-N	182.267	1.289	50	20	ADGD	
C[C@H]1CCC[C@@H](CC(=O)NN)C1	306958609	VZCAYXRISVRJQQ-JGVFFNPUSA-N	170.256	1.193	50	20	ADGD	
O=C(NCC(Cl)Cl)C1CCC1	307751457	OBSIVZYRCKWKJW-UHFFFAOYSA-N	196.077	1.706	50	20	ADGD	
CCC(=O)NN=C1CCOC(C)(C)C1	872327614	IBYNOGBSPXKVJD-UHFFFAOYSA-N	198.266	1.458	50	20	ADGD	
C/C=C(/C=C\C(=O)N(C)N)CC	1573659792	GTZZOBFNPKTNHC-AKAREZBESA-N	168.240	1.231	50	20	ADGD	
CCc1nocc1/C=C(\C#N)C(=O)O	1610075863	UJDRASVOGYBTCY-ZZXKWVIFSA-N	192.174	1.229	50	20	ADGD	
FC(F)(F)C1=NO[C@@H](CCl)C1	38804233	OETBRSNIJGHJLM-GSVOUGTGSA-N	187.548	1.932	50	20	ADGD	
C=C1CCN(C(=O)CCl)CC1	307092277	YXWGHEIJIUABIQ-UHFFFAOYSA-N	173.643	1.404	50	20	ADGD	
CCNC(=O)NN=CC1(C)CC1	379331849	FLCFCXIQBADZED-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
CC(=NNC(N)=O)[C@H]1CCCC[C@H]1C	379415684	YFJUQOYKHUHKAL-APPZFPTMSA-N	197.282	1.857	50	20	ADGD	
C1NC[C@H]2CSSC[C@H]12	409442951	DPGCPTMLJXKRCH-WDSKDSINSA-N	161.295	1.217	50	20	ADGD	
Cc1cccc(C=NNC(=O)O)c1C	738307116	CVUFJDMOAOCOKS-UHFFFAOYSA-N	192.218	1.905	50	20	ADGD	
CCO[C@@H]1CCCC1=NNC(=O)CC	766427370	AJJJNXSMMOPVJT-SECBINFHSA-N	198.266	1.458	50	20	ADGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NN	841818820	CGWJBWLYKGHXTM-BDAKNGLRSA-N	199.298	1.376	50	20	ADGD	
NNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	841837183	BPCGEZVATYJZQV-HRDYMLBCSA-N	197.282	1.128	50	20	ADGD	
CC(C)C(=O)NNc1ccc(F)cn1	115745148	XMCKSPOUUZAXSZ-UHFFFAOYSA-N	197.213	1.320	50	20	ADGD	
CC1CC(=NNC(=O)CC2CC2)C1	307133352	MRWJGEHVTALOFW-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
C[C@H](Cl)C(=O)N1CCC[C@@H](F)C1	409422778	IPLBLOOUPJSYRR-NKWVEPMBSA-N	193.649	1.574	50	20	ADGD	
CC(=O)NNC(=O)C1(C)CCCCC1	780154892	IHUJMMNLUVHKOO-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
COCCC(C)=NNC(=O)CC1CC1	814990758	CQAKGQQVXHMMAI-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C=CC(C)(C)C(=O)NNC(=O)C(C)C	822203630	DIOPGQHDGVMJJU-UHFFFAOYSA-N	198.266	1.002	50	20	ADGD	
CCc1csc(=O)n1C/C=C/C#N	842586694	WKJHEBAFQSNGCH-ONEGZZNKSA-N	194.259	1.552	50	20	ADGD	
CCCC(CC)=NNC(=O)NC	379333245	JUCYLQKNNHNMIF-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
C#CCN(C(=O)CCl)C(C)C	688813439	MYKOSKXFVANQKT-UHFFFAOYSA-N	173.643	1.095	50	20	ADGD	
CC(C)(C)C(=O)N1CC=C(C#N)CC1	767160734	WDOJZUJKBBTGRC-UHFFFAOYSA-N	192.262	1.715	50	20	ADGD	
CCC(=O)NNc1ncccc1C	306673029	MSAVWOVWUCVMNT-UHFFFAOYSA-N	179.223	1.243	50	20	ADGD	
CC1=CC(=NNC(N)=O)CC(C)(C)C1	308269110	POWGERBYLYXZDD-UHFFFAOYSA-N	195.266	1.777	50	20	ADGD	
CCCCCC(C)(C)C(=O)NN	308414088	PUGSEWQOZKYVAH-UHFFFAOYSA-N	172.272	1.583	50	20	ADGD	
C/C=C\C(=O)NN[C@@H](C)C(F)(F)F	862302830	CFPRGHZAPFJELO-XUELKZDXSA-N	196.172	1.134	50	20	ADGD	
CC(C)(C)C(=O)NN=Cc1ccc[nH]1	915966607	KKNNHOJOGHBCCV-UHFFFAOYSA-N	193.250	1.511	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CCC[C@@H](F)C1	1349373563	QXKBAQUHFJCLDY-ZJUUUORDSA-N	193.225	1.788	50	20	ADGD	
C#C[C@]1(O)CCCC[C@@H]1Cl	4794468	AHKHTUCIZISCAB-YUMQZZPRSA-N	158.628	1.532	50	20	ADGD	
O=C/C=C/c1cn2ccccc2n1	86207870	QBRJRZMXMLCSKV-ONEGZZNKSA-N	172.187	1.546	50	20	ADGD	
CC[C@H]1CCCC1=NNC(=O)COC	761818513	NYAPELAJKNJQCF-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
C/C=C/C(=O)NNc1ccncc1	306780845	DNCWYRFCHCWTMG-NSCUHMNNSA-N	177.207	1.101	50	20	ADGD	
N#CSCCCNC(=O)C1CC1	308083287	LBXLIYVZQMHICA-UHFFFAOYSA-N	184.264	1.117	50	20	ADGD	
COC(=O)N(C)N=Cc1cnsc1	872372674	ICYUIINGTWPYIQ-UHFFFAOYSA-N	199.235	1.175	50	20	ADGD	
C/C(C#N)=C\CSC[C@@H](C)C(=O)O	1589323352	AJOWHOLXONJDKC-HOOMWESVSA-N	199.275	1.910	50	20	ADGD	
CCCO[C@H](C)Cl	39222603	IMULTGIDITYKPB-RXMQYKEDSA-N	122.595	1.998	50	20	ADGD	
C=CC[C@@H](CC)NC=C(C#N)C#N	379389441	LOBZZYWSQPXBRE-SNVBAGLBSA-N	175.235	1.862	50	20	ADGD	
CC[C@@H]1CCCC(=NN(C)C(N)=O)C1	767908678	CCYPSMNWHGUNMS-MRVPVSSYSA-N	197.282	1.953	50	20	ADGD	
CCNC(=O)NN=C[C@@H]1CC[C@H](C)C1	800811000	CTSHMEXDTGGCOJ-DTWKUNHWSA-N	197.282	1.728	50	20	ADGD	
C[C@H]1CC[C@@H](C=NNC(=O)N(C)C)C1	800811256	NOWXFGWQYRBGDU-DTWKUNHWSA-N	197.282	1.680	50	20	ADGD	
CC(=O)NN=C(C)[C@@]1(C)CCCO1	379411034	HICOQHQFCPHJPB-SECBINFHSA-N	184.239	1.068	50	20	ADGD	
CCCC(C)=NNC(=O)N(C)C	388446866	VYLDNJKDCICZLM-UHFFFAOYSA-N	171.244	1.434	50	20	ADGD	
N#CC(C#N)=CNCc1cccnc1	14836901	VBIADIMRXBEREO-UHFFFAOYSA-N	184.202	1.102	50	20	ADGD	
CN(CC1CCC1)C(=O)CCl	61457976	NAWLZVMDWMIUPJ-UHFFFAOYSA-N	175.659	1.484	50	20	ADGD	
CCC1(CNC(=O)NN)CCCC1	232917979	GLWHZSCBZFMESA-UHFFFAOYSA-N	185.271	1.130	50	20	ADGD	
CC(C)CC(=O)NN=Cc1cc[nH]c1	745196162	GXUVZKVEUHBSQA-UHFFFAOYSA-N	193.250	1.511	50	20	ADGD	
COC(=O)N(C)N=C1CCC[C@@H]1F	872370963	HUZGMLJXNRJMAI-LURJTMIESA-N	188.202	1.563	50	20	ADGD	
C[C@H](CCl)CCS(C)(=O)=O	85044069	PCISGJDXDSMXMB-LURJTMIESA-N	184.688	1.296	50	20	ADGD	
COC(=O)NN=C(C)c1ccsc1	308484133	OHXJUDLPVNTTBS-UHFFFAOYSA-N	198.247	1.828	50	20	ADGD	
C[C@H](C#N)OC(=O)/C(C#N)=C\C1CC1	786675560	JYFIVJZEGIRKGB-CPLNQPMESA-N	190.202	1.302	50	20	ADGD	
C[C@@H](C(=O)N(C)N)[C@@H](C)C(C)(C)C	1573397825	BMHGZISHIUYYAZ-HTQZYQBOSA-N	186.299	1.637	50	20	ADGD	
CC(C)CC1(CNC(=O)NN)CCC1	841856535	RTYXIIKWULBZSC-UHFFFAOYSA-N	199.298	1.376	50	20	ADGD	
O=C(NN=C[C@H]1CC=CCC1)C1CC1	916290742	NWOHUNDNXYOAKQ-VIFPVBQESA-N	192.262	1.855	50	20	ADGD	
Cc1ccc(C=CB(O)O)cc1	1857776459	JJOBVKVXRDHVRP-UHFFFAOYSA-N	161.997	1.020	50	20	ADGD	
COC[C@H](C)CCCl	69906175	BFZMSZJGALWRIF-ZCFIWIBFSA-N	136.622	1.898	50	20	ADGD	
CC[C@H]1CO[C@H](C)CN1C(=O)Cl	86894035	XZXKIOKWKIFBNY-RQJHMYQMSA-N	191.658	1.845	50	20	ADGD	
CCC(=O)NNc1cccc(C#N)c1	748036050	ZADQNAUKVUSIPM-UHFFFAOYSA-N	189.218	1.411	50	20	ADGD	
N#C[C@H]1C[C@H]1CBr	143897279	KEMARSIEULTSMK-CRCLSJGQSA-N	160.014	1.541	50	20	ADGD	
N#CC1=CCN(C(=O)C2CC2)CC1	307543615	VCLRGBIQTVRYFA-UHFFFAOYSA-N	176.219	1.079	50	20	ADGD	
C[C@H](CCl)Cc1cnn(C)n1	307709965	OADMVKVNJYMQJD-LURJTMIESA-N	173.647	1.233	50	20	ADGD	
CC[C@H](C)CC=NNC(=O)NC	834943926	IQJLXHHZSWPAEQ-ZETCQYMHSA-N	171.244	1.337	50	20	ADGD	
Cc1cc(C=NNC(=O)C(C)C)no1	841609266	VGBBNXFVXBGKSY-UHFFFAOYSA-N	195.222	1.089	50	20	ADGD	
CCC(=O)NN=C(C)CCCOC	379398990	GFTDPUVJDBGDOH-UHFFFAOYSA-N	186.255	1.315	50	20	ADGD	
COC(=O)NN=Cc1cnc(C)s1	379420004	ZMOOBHLZPBMDTB-UHFFFAOYSA-N	199.235	1.141	50	20	ADGD	
CN(NC(=O)[C@H]1CC=CCC1)C1CC1	819642695	MVYXXRKBWZOHKZ-VIFPVBQESA-N	194.278	1.468	50	20	ADGD	
C[C@@H](CCl)Cc1cnn(C)n1	307709966	OADMVKVNJYMQJD-ZCFIWIBFSA-N	173.647	1.233	50	20	ADGD	
CCNC(=O)NN=C[C@H]1CC[C@H](C)C1	800811001	CTSHMEXDTGGCOJ-IUCAKERBSA-N	197.282	1.728	50	20	ADGD	
CN(NC(=O)CCC(C)(C)C)C1CC1	819648224	YEDZJFFXHQSBMZ-UHFFFAOYSA-N	198.310	1.938	50	20	ADGD	
Cc1cccc(NC=C(C#N)C#N)n1	5337839	ADLYXNQZYGSNAB-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
CCOC(=O)C1(N=C=O)CCCC1	88613718	XCDBGFZEBYVFDF-UHFFFAOYSA-N	183.207	1.198	50	20	ADGD	
ClC[C@H]1CO[C@]2(CCCOC2)O1	134962019	RVCXRFRBXHZULG-JGVFFNPUSA-N	192.642	1.147	50	20	ADGD	
N#C[C@@H]1C[C@@H]1CBr	143897926	KEMARSIEULTSMK-UHNVWZDZSA-N	160.014	1.541	50	20	ADGD	
COC/C(C)=C/CBr	238326085	PHXDBUGDYRATAD-ZZXKWVIFSA-N	179.057	1.974	50	20	ADGD	
CCC(CC)=NNC(=O)C(C)(C)O	308314979	UVQYBXJZEPZOIV-UHFFFAOYSA-N	186.255	1.050	50	20	ADGD	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2F)CC1	1519847654	HDJIGWJVHNLYFE-IUCAKERBSA-N	194.209	1.027	50	20	ADGD	
O=C[C@@H](Cl)CN1CCCCC1	1857776825	FBMGKLSOGNQXLN-QMMMGPOBSA-N	175.659	1.279	50	20	ADGD	
NC(=O)c1ccc(OCCCl)cc1	34091341	CVQWYCCXJPYZQI-UHFFFAOYSA-N	199.637	1.403	50	20	ADGD	
N#CC(C#N)=CNc1cccc(O)c1	111907528	MKFDKGXHGRZFNH-UHFFFAOYSA-N	185.186	1.735	50	20	ADGD	
C[C@@H]1CC[C@@H](C=NNC(N)=O)C1	307887612	WXOWEPSEVYBZDH-RNFRBKRXSA-N	169.228	1.077	50	20	ADGD	
Cc1ccc(F)c(C=NNC(N)=O)c1	388710802	RDPKFEQCMOTACY-UHFFFAOYSA-N	195.197	1.136	50	20	ADGD	
CN(C)C(=O)NN=C1C[C@H]2CC[C@H]1C2	814821151	MIOZROYYJQHGHW-YUMQZZPRSA-N	195.266	1.434	50	20	ADGD	
C=C(CC)C(=O)NNC(=O)C(C)(C)C	1527451476	NLJKOGAIYQQHKR-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
C=C(B(O)O)c1ccc(C)cc1	200991653	VTRVDMRAVCICNC-UHFFFAOYSA-N	161.997	1.020	50	20	ADGD	
CC1(C)C(=NNC(=O)O)[C@@H]2CCO[C@H]21	736726977	BKUQCBFFAJZVON-CAHLUQPWSA-N	198.222	1.055	50	20	ADGD	
CCC(=NNC(=O)NC)C1CCC1	834944445	QTVOIQIRXMAOCV-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC1=CC(=NNC(=O)O)CCC1	736747278	PDWXUQUCSTXFCM-UHFFFAOYSA-N	168.196	1.740	50	20	ADGD	
C[C@H]1CCCC[C@@H]1C=NN(C)C(N)=O	783865486	ZPJRSQCODZMCCW-DTWKUNHWSA-N	197.282	1.809	50	20	ADGD	
CN(N=C1CCC12CCCC2)C(N)=O	788722433	SYLRJPURZWOGNW-UHFFFAOYSA-N	195.266	1.707	50	20	ADGD	
C/C=C(/C=C/C(=O)N(C)N)CC	1573659793	GTZZOBFNPKTNHC-CUXHJGIESA-N	168.240	1.231	50	20	ADGD	
CCC(=O)N(C)CC(Cl)Cl	306475987	UJEZNTQIQNYQTQ-UHFFFAOYSA-N	184.066	1.659	50	20	ADGD	
CC(=O)NN=C1CCC[C@H]1CCF	388617766	DJRWLLBFFZPJJR-QMMMGPOBSA-N	186.230	1.638	50	20	ADGD	
COC(=O)NN=C[C@H]1C[C@H]2CC[C@H]1C2	762411550	UGNSOBSBFGGFBT-XHNCKOQMSA-N	196.250	1.764	50	20	ADGD	
CC(C)C=NNC(=O)c1ccccn1	864094675	QUKLAPZMJTWSSR-UHFFFAOYSA-N	191.234	1.453	50	20	ADGD	
Cn1ccc(/C=C(/C#N)C(=O)O)c1	59840337	XCTIYFPTGOBDMT-YWEYNIOJSA-N	176.175	1.017	50	20	ADGD	
CC(C)=NNC(=O)CC(C)(C)C	306719640	YFHAWASFHZDYJZ-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
CN(N=C1CCC1(C)C)C(N)=O	388494840	JIIXHZLAILCEAJ-UHFFFAOYSA-N	169.228	1.173	50	20	ADGD	
C=CC[C@H](C)C(C)=NNC(=O)N(C)C	727778889	SGSWPUFUBHGAFM-QMMMGPOBSA-N	197.282	1.846	50	20	ADGD	
CCCCCC[C@@H](CC)C(=O)NN	825644994	LVNICCSGISMKAG-SECBINFHSA-N	186.299	1.973	50	20	ADGD	
NNC(=O)CCC1CCCCCC1	848417113	LDYDXLSMVJCRSW-UHFFFAOYSA-N	184.283	1.727	50	20	ADGD	
N#C/C(=C\c1cccc(F)c1)C(N)=O	34902767	NVGNGLIOIXXMRZ-XBXARRHUSA-N	190.177	1.218	50	20	ADGD	
NNC(=O)CCc1ccccc1Cl	37387963	XGGMAGZBYLAMPQ-UHFFFAOYSA-N	198.653	1.263	50	20	ADGD	
CC(=O)NN=C(C)c1ccc(C)o1	379383919	LYLZZEKVOLPHNX-UHFFFAOYSA-N	180.207	1.448	50	20	ADGD	
COC[C@@H](NC=C(C#N)C#N)C(C)C	741650186	XWAGPRZMFBOVSN-SNVBAGLBSA-N	193.250	1.178	50	20	ADGD	
CCC(=O)NN=Cc1cccc(F)c1	915916256	CAUXILXIEQTNRJ-UHFFFAOYSA-N	194.209	1.686	50	20	ADGD	
CC(CC(C)(C)C)=NN(C)C(N)=O	834967912	YZASFBJHPWNQTB-UHFFFAOYSA-N	185.271	1.809	50	20	ADGD	
Cc1occc1C=NNC(=O)N(C)C	841622224	UVKRULNQILELCA-UHFFFAOYSA-N	195.222	1.193	50	20	ADGD	
O=C(Cl)c1ccnc(Cl)n1	39056531	LMTSRHRQRKAZEN-UHFFFAOYSA-N	176.990	1.509	50	20	ADGD	
CC(C)[C@@H](CO)CBr	39617865	NTLIQBKDQYPLFA-ZCFIWIBFSA-N	181.073	1.646	50	20	ADGD	
O=C(CC1CC1)NN=C1CCCC1	307254414	XUWFUFNLKUFNLR-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
COCC[C@]1(CCl)CCCO1	307742408	UQGXTAUCAUSCSO-QMMMGPOBSA-N	178.659	1.811	50	20	ADGD	
CCNC(=O)NN=C(C)CC1CC1	308500742	WQLDLKAXJRZJAK-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CCC(=O)NN=Cc1ccc(C)s1	393719837	PAWCQIVADRUARQ-UHFFFAOYSA-N	196.275	1.917	50	20	ADGD	
COCC(=O)NN=C(C(C)C)C1CC1	761821209	DMEORTOWVZBLRP-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
CC(=O)NN=C(C)c1cnccc1C	771554614	ZHJRZWMJJWUHPP-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CCC[C@H](F)C1	1349373560	QXKBAQUHFJCLDY-UWVGGRQHSA-N	193.225	1.788	50	20	ADGD	
CC(C)(C)[C@H](Br)C=O	38350463	QLLDPMNJZCQKSS-RXMQYKEDSA-N	179.057	1.995	50	20	ADGD	
NC(=O)c1ccccc1OCCl	86491090	UVUTULVEGSGCEZ-UHFFFAOYSA-N	185.610	1.361	50	20	ADGD	
CN(N=CC1CCCCC1)C(N)=O	308280694	XRSRKFIFNNHVAX-UHFFFAOYSA-N	183.255	1.563	50	20	ADGD	
N[C@@H](CCl)c1ccsc1	409442529	WMZYJALPURXBKT-LURJTMIESA-N	161.657	1.987	50	20	ADGD	
C[C@H]1CC[C@@H](C=NNC(=O)C2CC2)C1	800805411	XLDJJKUVXAMXCO-DTWKUNHWSA-N	194.278	1.935	50	20	ADGD	
CNC(=O)NN=C(C)CCCCC#N	841620542	IDUYBXVRRSAWTR-UHFFFAOYSA-N	196.254	1.375	50	20	ADGD	
C[C@H]1CC(=NNC(=O)C(C)(C)C)CO1	842523971	FXKAPYIXPREEFM-ZETCQYMHSA-N	198.266	1.314	50	20	ADGD	
Br[C@@H]1CN2CCC1CC2	36894534	OYBNAPYLIZUTFS-SSDOTTSWSA-N	190.084	1.476	50	20	ADGD	
ClC[C@H]1CCCc2cncn21	147604935	ACKKWPZUAQIBFP-SSDOTTSWSA-N	170.643	1.999	50	20	ADGD	
O=C(O)C1=C[C@H](Br)CC1	238686091	QZBDGEDSZVCVIH-RXMQYKEDSA-N	191.024	1.555	50	20	ADGD	
O=C(CCl)N1[C@H]2CCC[C@H]1CC2	307374435	UAEXRSDJGLTPHL-YUMQZZPRSA-N	187.670	1.769	50	20	ADGD	
O=C(Cl)N1C[C@H]2CC[C@@H]2C1	39056072	XBGXAONDHMFSCO-PHDIDXHHSA-N	159.616	1.687	50	20	ADGD	
CC(=O)NN=Cc1cccs1	379230689	ORWBRBPZPHAGNA-UHFFFAOYSA-N	168.221	1.218	50	20	ADGD	
C[C@@H](Cl)c1nc(C(=O)O)co1	584879879	IVSXSHQUBOWHKZ-GSVOUGTGSA-N	175.571	1.673	50	20	ADGD	
CCO/C=C(\C#N)C(=O)NC(C)(C)C	746510603	ANBRZNIMLLDBGI-BQYQJAHWSA-N	196.250	1.345	50	20	ADGD	
CC(CCO)=NNC(=O)C1CCCC1	749858040	JAJJAKHEVAZWMF-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CCC(=O)NN=C[C@H]1C[C@H]2CC[C@H]1C2	762419876	WSVNDUCCRYBUFL-LPEHRKFASA-N	194.278	1.935	50	20	ADGD	
CC#CCOC(=O)/C(C#N)=C/C1CC1	786673662	JKYWPIJHPQVLNH-JXMROGBWSA-N	189.214	1.413	50	20	ADGD	
O=C(Cl)[C@@H]1COc2ccccc21	69910538	BGBATTJFQJBVRQ-SSDOTTSWSA-N	182.606	1.928	50	20	ADGD	
COC(=O)NN=CCCC(C)C	378792424	NRADPUPSEQJJAV-UHFFFAOYSA-N	172.228	1.764	50	20	ADGD	
CCNC(=O)NN=CCCC(C)C	378866120	AYSHTNPYSVKYFK-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
Cn1ccnc1SC/C=C/C#N	307582650	VXOGHWOQGJSIHI-NSCUHMNNSA-N	179.248	1.592	50	20	ADGD	
CCNC(=O)NN=CCCSC	307988905	SFUVVWJTWRRICL-UHFFFAOYSA-N	189.284	1.044	50	20	ADGD	
CC(CC1CC1)=NNC(=O)C1CC1	308340187	QMIAENDJZKCXAG-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CCCNC(=O)NN=C[C@H]1C[C@H]1C	382022263	OPIZBQQOPPZBRP-HTQZYQBOSA-N	183.255	1.337	50	20	ADGD	
CN(N)C(=O)c1cscc1Cl	711545755	JYVGALGXZRWREO-UHFFFAOYSA-N	190.655	1.347	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1C=CCC1	849174718	HXJBMOVHEXBIML-SECBINFHSA-N	159.192	1.226	50	20	ADGD	
CC(C)(C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872343083	MWMPMEGTNAUQDX-SFYZADRCSA-N	194.278	1.935	50	20	ADGD	
CCCC(C)=NNC(=O)OCC	393340380	ZCFVWZYLBLLLQO-UHFFFAOYSA-N	172.228	1.909	50	20	ADGD	
CC1(C)CCCC[C@H]1CC(=O)NN	825651597	FGDFHMVTZYCCPU-QMMMGPOBSA-N	184.283	1.583	50	20	ADGD	
F[C@]1(CBr)CCOC1	238551261	UAQBZFXNOZXLQD-YFKPBYRVSA-N	183.020	1.510	50	20	ADGD	
N#CC(C#N)=CNC1CCSCC1	306160028	FNBZPXREQVNDKZ-UHFFFAOYSA-N	193.275	1.403	50	20	ADGD	
CC(=NNC(=O)C(F)F)C1CCC1	379406665	WVWICOWGHMKRFO-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
C[C@@H]1CC(=NN(C)C(N)=O)C[C@H](C)C1	767909494	PSOBHQMPPRKGHH-OCAPTIKFSA-N	197.282	1.809	50	20	ADGD	
COC(=O)c1ccc(C(=O)F)cc1	39056653	GZGWYTNBYDPWKD-UHFFFAOYSA-N	182.150	1.583	50	20	ADGD	
C#CCCCCCC=NNC(N)=O	834913807	FMTZVLXHGAFEJD-UHFFFAOYSA-N	181.239	1.224	50	20	ADGD	
CC[C@H](C)C(=O)NN=C[C@@H]1C[C@@H]1C	308136562	ADNVRLYQGIDIDE-CIUDSAMLSA-N	182.267	1.791	50	20	ADGD	
CC[C@H]1CCCC1=NNC(=O)OC	308152698	ABXUGCDVXOAYAZ-ZETCQYMHSA-N	184.239	1.909	50	20	ADGD	
Cc1cc(OC/C=C\C#N)nnc1C	840195834	IPQCOUOVJDSNRQ-ARJAWSKDSA-N	189.218	1.552	50	20	ADGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NN	841785904	LHZYZRSIPJNAGA-RKDXNWHRSA-N	199.298	1.518	50	20	ADGD	
CCNC(=O)NNc1ccc(F)cc1	915879928	ITRTWIXQEKKJKJ-UHFFFAOYSA-N	197.213	1.472	50	20	ADGD	
CC[C@H]1CCCC1=NNC(=O)CCO	1319090468	PTFFITOCYKMTLJ-QMMMGPOBSA-N	198.266	1.051	50	20	ADGD	
CCc1ccc([C@H](C)C(=O)NN)cc1	259051638	VFKUDUJHSNLJEY-QMMMGPOBSA-N	192.262	1.342	50	20	ADGD	
CC1(C=NNC(=O)C2CC2)CC1	379312301	YJXSJNZBPMDPEL-UHFFFAOYSA-N	166.224	1.299	50	20	ADGD	
CCCC1(C(=O)NN(C)C2CC2)CC1	819649852	ZZGNQQOWTIVRIR-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NN	825652515	VWAOYJVYOKCQSN-BQBZGAKWSA-N	196.275	1.150	50	20	ADGD	
Cc1ccc(/C=C(\C#N)C(=O)O)o1	22566452	VFJTWGABPSXWPG-QPJJXVBHSA-N	177.159	1.580	50	20	ADGD	
Cc1noc(C)c1NC(=O)CCl	39215844	NLBVHJQWGDLCIU-UHFFFAOYSA-N	188.614	1.469	50	20	ADGD	
CC(C)(C)/C(N)=C/C#N	104656709	DPCUHGFSIXGSIH-XQRVVYSFSA-N	124.187	1.399	50	20	ADGD	
C=CCCC(CC)=NNC(N)=O	387669546	KZWYZHFNPXCRPZ-UHFFFAOYSA-N	169.228	1.387	50	20	ADGD	
CCNC(=O)NN=C1CCC1(C)C	388938816	WPPRVTLPRRQYCL-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CCC(=O)NN=C[C@@](C)(OC)C1CC1	814708120	DZFHMIFLIIGQDL-SNVBAGLBSA-N	198.266	1.314	50	20	ADGD	
ClC[C@H]1CO[C@]2(CCSC2)O1	134963686	UBGFHTBQKPMMNL-NKWVEPMBSA-N	194.683	1.474	50	20	ADGD	
N#C/C(=C\c1ccccc1C#N)C(=O)O	142024357	FZSJXTJYHQPMAJ-BJMVGYQFSA-N	198.181	1.550	50	20	ADGD	
CCCC=NNC(=O)NCC	307875825	NSYUNJUKJBLKSK-UHFFFAOYSA-N	157.217	1.091	50	20	ADGD	
CC(=NNC(=O)N(C)C)C1CCCC1	733076346	NKVOSUCEDWDVRW-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
C/C=C/C(=O)NNc1ccccc1F	748057205	JWZMEZGJCBFKPQ-GORDUTHDSA-N	194.209	1.845	50	20	ADGD	
CCNC(=O)NN=C[C@@H](C)C(C)(C)C	800810954	AWRXFKIRDBJHJS-MRVPVSSYSA-N	199.298	1.974	50	20	ADGD	
O=C(NNc1ncccc1F)C1CC1	804217670	GENDOUATWXZKRV-UHFFFAOYSA-N	195.197	1.074	50	20	ADGD	
CC[C@H]1CO[C@@H](C)CN1C(=O)Cl	86894039	XZXKIOKWKIFBNY-BQBZGAKWSA-N	191.658	1.845	50	20	ADGD	
CCCNC(=O)NN=C(CC)CC	379397248	DOTOBSBJDDZNPW-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
N#CC(C#N)=CN[C@H]1C=CCC1	849174719	HXJBMOVHEXBIML-VIFPVBQESA-N	159.192	1.226	50	20	ADGD	
CCCC(=O)NNc1ccncc1	306678552	BOMHKSPFPRHVER-UHFFFAOYSA-N	179.223	1.325	50	20	ADGD	
C=C[C@H](C)N/C=C(\C#N)C(=O)OCC	756775072	MFPLXCSIHNHHSH-INTFFVIUSA-N	194.234	1.121	50	20	ADGD	
CC(C)C(=O)NN=Cc1cccn1C	916328101	FIMCHLATGQSAGA-UHFFFAOYSA-N	193.250	1.131	50	20	ADGD	
NNC(=O)NCCC1CCCCC1	37742229	LXHRCAUTFJJHPF-UHFFFAOYSA-N	185.271	1.130	50	20	ADGD	
Cc1noc(C)c1C=C(C#N)C#N	306326218	LZYCVIKIILJCRQ-UHFFFAOYSA-N	173.175	1.722	50	20	ADGD	
C[C@H]1CCCC[C@H]1C=NN(C)C(N)=O	783865488	ZPJRSQCODZMCCW-IUCAKERBSA-N	197.282	1.809	50	20	ADGD	
CCC(=NNC(C)=O)[C@@H]1C[C@@H]1C	841605086	XABGLDYSYBLFMH-POYBYMJQSA-N	168.240	1.545	50	20	ADGD	
CC1CC(=NNC(=O)NCC2CC2)C1	814818153	GOMNDYQRTLXMOL-UHFFFAOYSA-N	195.266	1.482	50	20	ADGD	
CC(=O)NNC(=O)C(C)=C1CCCC1	822164236	SOTGPBLEPPQDJV-UHFFFAOYSA-N	196.250	1.044	50	20	ADGD	
CC(C)CC(=O)NN=C1COC[C@@H]1C	884396554	GTFPLZBOITVDDR-QMMMGPOBSA-N	198.266	1.171	50	20	ADGD	
COCC[C@H](C)CCl	78750181	VYKFGMLNHWUVOV-LURJTMIESA-N	136.622	1.898	50	20	ADGD	
C[C@H](CCl)[C@@H]1CCS(=O)(=O)C1	85042996	FFOVGOIOOKKLCL-RNFRBKRXSA-N	196.699	1.296	50	20	ADGD	
C[C@@H](Cl)[S@](=O)Cl	196534102	QTHCWFBWPNLYHS-TXXFKFMOSA-N	147.026	1.474	50	20	ADGD	
CCC1(CNC(=O)CCl)CC1	218370994	WUTINEJSXOOLNS-UHFFFAOYSA-N	175.659	1.532	50	20	ADGD	
CC(=O)NN=C(C)CC1CCOCC1	757560889	JRIAMQUBTWDAHS-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CC(=NNC(=O)C1CC1)[C@@H]1CCCO1	783787368	CKJMDQNLYHRQFI-VIFPVBQESA-N	196.250	1.068	50	20	ADGD	
CCO[C@H]1CCCC(=NNC(C)=O)C1	905419764	SPUNKKPOBAKKTF-JTQLQIEISA-N	198.266	1.458	50	20	ADGD	
O=C(NN=Cc1ccsc1)C1CC1	12728106	KPTCUWUBWOWJTE-UHFFFAOYSA-N	194.259	1.608	50	20	ADGD	
CCCCN(C)S(=O)(=O)CCl	82512056	QBIJCPMWYWYEMM-UHFFFAOYSA-N	199.703	1.244	50	20	ADGD	
C[C@@H]1OCC[C@H]1CCl	86253659	IKJZFVUEXRVHGI-WDSKDSINSA-N	134.606	1.650	50	20	ADGD	
CCC(=O)NN=C(C)C1CCC1	308045085	PANBGGXUQATGOW-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
CCCC=NNC(=O)[C@@H](C)CC	379326734	IXMFBIIRAOPSPN-QMMMGPOBSA-N	170.256	1.935	50	20	ADGD	
CC[C@H](C)C(=O)NNc1ccccn1	777471157	DGNOHOZDDATYDN-QMMMGPOBSA-N	193.250	1.571	50	20	ADGD	
CC(C)(C)C=NNC(=O)c1cn[nH]c1	863155151	ZGIZWIVILWZWDY-UHFFFAOYSA-N	194.238	1.171	50	20	ADGD	
ClC[C@@H]1CO[C@]2(CCCOC2)O1	134962056	RVCXRFRBXHZULG-HTQZYQBOSA-N	192.642	1.147	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CCC[C@@H](F)C1	409422779	IPLBLOOUPJSYRR-RNFRBKRXSA-N	193.649	1.574	50	20	ADGD	
COC(=O)NN=C(C)c1cccnc1	916268676	DGTXBWXUQDRURP-UHFFFAOYSA-N	193.206	1.162	50	20	ADGD	
O=C(CCl)NC[C@H]1CCCS1	87668064	ULYBXLQPVPUUKM-ZCFIWIBFSA-N	193.699	1.237	50	20	ADGD	
CNC(=O)NN=Cc1ccc(C)cc1	379340644	RQEODZVERCNWCT-UHFFFAOYSA-N	191.234	1.258	50	20	ADGD	
CC[C@@H]1CCC[C@@H](C=NNC(N)=O)C1	394614721	KHGYEDQQSNDSDB-RKDXNWHRSA-N	197.282	1.857	50	20	ADGD	
CCCNC(=O)NNc1ccccn1	915888631	CVBLRAFZIABOHO-UHFFFAOYSA-N	194.238	1.118	50	20	ADGD	
CCC[C@@H]1C[C@H]1NC(=O)CCl	218366938	RTALBTDQUZJNBP-RNFRBKRXSA-N	175.659	1.530	50	20	ADGD	
C[C@@H]1CC(=NN(C)C(N)=O)C[C@@H](C)C1	767909495	PSOBHQMPPRKGHH-YUMQZZPRSA-N	197.282	1.809	50	20	ADGD	
CCC(=O)NN=Cc1cccc(O)c1	915916864	SVRVXWASROWYQU-UHFFFAOYSA-N	192.218	1.252	50	20	ADGD	
CC(C)(CF)NC(=O)CCl	1350355934	VXMDGZQTPOSGLN-UHFFFAOYSA-N	167.611	1.090	50	20	ADGD	
CC(C)CC1(C(=O)NN)CCC1	200706295	JXNBCGKJNAKRPN-UHFFFAOYSA-N	170.256	1.193	50	20	ADGD	
C=CC(=O)NCCSSC	306596947	ZDIAUESGIKULKP-UHFFFAOYSA-N	177.294	1.300	50	20	ADGD	
CCCN(C)C(=O)/C(C#N)=C\OCC	746510408	OTIMIALXPQAQCY-HJWRWDBZSA-N	196.250	1.299	50	20	ADGD	
CC(=O)NN=Cc1cnc(C2CC2)o1	863065284	MFTJJCDXISXALE-UHFFFAOYSA-N	193.206	1.022	50	20	ADGD	
CCC(=O)NN=Cc1c(C)noc1C	915915783	MRAQTHMMQUUKRT-UHFFFAOYSA-N	195.222	1.152	50	20	ADGD	
O=C(CCl)NOC1CCCCC1	1328380853	IWNLCIJUTYMRNB-UHFFFAOYSA-N	191.658	1.606	50	20	ADGD	
ClCCc1cnccn1	69049401	KQVGRPYBCHAPOF-UHFFFAOYSA-N	142.589	1.258	50	20	ADGD	
COc1ncnc(CCl)c1C	97758377	JTZHFSMZOLHMRK-UHFFFAOYSA-N	172.615	1.532	50	20	ADGD	
ClCc1cn(-c2cccnc2)nn1	232082052	QVRGVUJROCWNEU-UHFFFAOYSA-N	194.625	1.401	50	20	ADGD	
CC[C@H](C)C(=O)NN=Cc1cc[nH]c1	745194918	DWZCIJFUEDIQCM-QMMMGPOBSA-N	193.250	1.511	50	20	ADGD	
C[C@@H]1CC(=NNC(=O)C2CC2)CCO1	773185383	AUGICWOJHJKVNI-SSDOTTSWSA-N	196.250	1.068	50	20	ADGD	
CC(=O)NN=C1CCO[C@H](C(C)C)C1	776757989	DYDRPDQMUMJHIX-JTQLQIEISA-N	198.266	1.314	50	20	ADGD	
C[C@H]1CCCC(=NN(C)C(N)=O)[C@H]1C	781128673	SGCWUXXXJNHDOW-YUMQZZPRSA-N	197.282	1.809	50	20	ADGD	
CCOC(=O)CC[C@@H](Cl)C(=O)O	146562346	RBVJVAULCBMXGO-RXMQYKEDSA-N	194.614	1.022	50	20	ADGD	
CCCNC(=O)NN=C[C@H](C)CC	308216735	AJNUNOLEYPYGIT-MRVPVSSYSA-N	185.271	1.728	50	20	ADGD	
CCCNC(=O)NN=C[C@@H]1C[C@@H]1C	382022266	OPIZBQQOPPZBRP-YUMQZZPRSA-N	183.255	1.337	50	20	ADGD	
C[C@H]1CCCCN(C(=O)CCl)C1	575561176	OUMQNNWKYHKFOF-QMMMGPOBSA-N	189.686	1.874	50	20	ADGD	
C[C@H]1CC(=NNC(N)=O)CC(C)(C)C1	252447165	GPOZBXAWJMJAJE-ZETCQYMHSA-N	197.282	1.857	50	20	ADGD	
CC(C)N(C(=O)CCl)C1CC1	307741529	RGWSBKQOELSDDC-UHFFFAOYSA-N	175.659	1.625	50	20	ADGD	
CCC[C@@H](C)NC=C(C#N)C#N	307744973	QCWZBORTRAAXAG-MRVPVSSYSA-N	163.224	1.696	50	20	ADGD	
C[C@@H]1CCC(=NN(C)C(N)=O)[C@H](C)C1	783861975	APUASPXLJVKMRQ-HTQZYQBOSA-N	197.282	1.809	50	20	ADGD	
CCC(=NNC(=O)C1CC1)[C@H]1C[C@H]1C	841605039	OKLXJQWZGYXXNV-APPZFPTMSA-N	194.278	1.935	50	20	ADGD	
CC(=O)NN=C(C)c1nc(C)cs1	863065235	JZGQTJZVAFCWSB-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
C=C(Cl)CNC(=O)CCl	104733978	UUDYDSOLMVRDPV-UHFFFAOYSA-N	168.023	1.094	50	20	ADGD	
CC(=O)NN=C[C@H]1CCCC[C@@H]1C	308279628	WMKZOSCIHMCASO-WCBMZHEXSA-N	182.267	1.935	50	20	ADGD	
CCOCCC=NNC(=O)C(C)C	379375394	PIBBKSISNVEEDJ-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
N#CC(C#N)=CNc1cccc(CO)c1	747826399	HZSVXMUMMZKQQG-UHFFFAOYSA-N	199.213	1.522	50	20	ADGD	
CCCC=NNC(=O)c1ccncc1	793006708	YAHMZKKLEGVFRR-UHFFFAOYSA-N	191.234	1.597	50	20	ADGD	
C[C@H]1CCC[C@H]1NC(=O)CCl	70832187	ZQWZPGYACAKZNF-NKWVEPMBSA-N	175.659	1.530	50	20	ADGD	
C=CC[C@H](C)C(C)=NNC(=O)O	736096589	QIVCSAHGPJINQA-LURJTMIESA-N	170.212	1.842	50	20	ADGD	
C[C@@H]1CCCCCC1=NNC(=O)CO	844590931	XEZZVMJMIHSUKM-MRVPVSSYSA-N	198.266	1.051	50	20	ADGD	
ClCc1ccc2nonc2c1	104688954	CROUJDCSDMSXLJ-UHFFFAOYSA-N	168.583	1.962	50	20	ADGD	
CC(C)=NNC(=O)C1CCC1	196856425	RZAZJATVXHBINF-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
CSC(C)(C)CNC=C(C#N)C#N	307755438	DKOCYDCVSBJOOW-UHFFFAOYSA-N	195.291	1.649	50	20	ADGD	
CC(=NNC(=O)C(C)C)C(F)(F)F	308163401	WKBGHMZAZJUKDJ-UHFFFAOYSA-N	196.172	1.697	50	20	ADGD	
O=C(CCCl)N1CC[C@H](F)C1	409423956	RYMADOLPVPCQIR-LURJTMIESA-N	179.622	1.186	50	20	ADGD	
Cc1cccc(NNC=C(C#N)C#N)c1	747819551	PCQSMVCXOVSKRS-UHFFFAOYSA-N	198.229	1.843	50	20	ADGD	
CCC(C)=NNC(=O)C1CCOCC1	1262039924	YRPNEGJXWJCHAD-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C=CCCC(CC)=NNC(=O)CCO	1339927369	ZORAHHBZCHLCSQ-UHFFFAOYSA-N	198.266	1.217	50	20	ADGD	
CC(C)C[C@H](C)NC(=O)CCl	37264961	YXADVZWXGWTJPY-ZETCQYMHSA-N	177.675	1.776	50	20	ADGD	
C[C@@H](CC1CCCC1)C(=O)NN	218079907	BZNUCQXVZCESEQ-ZETCQYMHSA-N	170.256	1.193	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)NCC1CC1	758374938	LHIDRHMVGQCJQD-APPZFPTMSA-N	195.266	1.337	50	20	ADGD	
CC(=NNC(=O)C1CC1)c1ccc[nH]1	916290673	IEMSUGXZTKTDAI-UHFFFAOYSA-N	191.234	1.265	50	20	ADGD	
C[C@@H]1CCC[C@@H]1NC=C(C#N)C#N	306217835	KNAIWNPDRLDUKY-SCZZXKLOSA-N	175.235	1.696	50	20	ADGD	
CCC(CC)=NNC(=O)N(C)C	307946751	KBPIBDATAGJANZ-UHFFFAOYSA-N	171.244	1.434	50	20	ADGD	
CCCNC(=O)NN=CCC(C)C	379403635	PTXNXLQVHQIPDQ-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
CCC(=O)NN=Cc1ccccc1O	383717425	XAQDYRNVTBBCMW-UHFFFAOYSA-N	192.218	1.252	50	20	ADGD	
CSC1(C=NNC(=O)C2CC2)CC1	393544050	BUFUZYILYIVQOY-UHFFFAOYSA-N	198.291	1.394	50	20	ADGD	
CC(C)c1cccc(C(=O)NN)c1	694862432	CMBIDCOVTWISTG-UHFFFAOYSA-N	178.235	1.414	50	20	ADGD	
FC1(F)C[C@H]1OCCCl	409431354	JNDSTXCYMUSSSE-SCSAIBSYSA-N	156.559	1.649	50	20	ADGD	
CC(=O)NN=C(C)c1ccnc(F)c1	794862461	PWTWNAKPMGRDKK-UHFFFAOYSA-N	195.197	1.081	50	20	ADGD	
C[C@H]1COC[C@@H]1CCl	66054525	KMOYMQUNADPLGJ-WDSKDSINSA-N	134.606	1.508	50	20	ADGD	
CC(C)C(CNC(=O)NN)C(C)C	229589830	RBXYJSUDYHJKBA-UHFFFAOYSA-N	187.287	1.088	50	20	ADGD	
O=C(NN=CC1CC1)c1ccc[nH]1	388290091	VBNMOKWTEJQMIB-UHFFFAOYSA-N	177.207	1.140	50	20	ADGD	
CCC(=O)NN=C1CCO[C@@H](CC)C1	756821613	XDMJARNEXQQWSO-VIFPVBQESA-N	198.266	1.458	50	20	ADGD	
COC(=O)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	762411549	UGNSOBSBFGGFBT-CIUDSAMLSA-N	196.250	1.764	50	20	ADGD	
CCCC[C@H](C(=O)NN)C(C)C	857002874	LYWAJWMNSBUYFA-QMMMGPOBSA-N	172.272	1.439	50	20	ADGD	
C[C@H](CBr)CCO	34345396	XJENZFJXAHFAQI-YFKPBYRVSA-N	167.046	1.400	50	20	ADGD	
O=C[C@@]1(CCl)CCCS1	306247336	DYVVPIKFBSJBJW-LURJTMIESA-N	164.657	1.690	50	20	ADGD	
CN(N=Cc1ccsc1)C(N)=O	379333183	JODFGDMTKUZLSI-UHFFFAOYSA-N	183.236	1.093	50	20	ADGD	
CNC(=O)NN=C(C)c1occc1C	767776793	OVJVYOWTTHXQPB-UHFFFAOYSA-N	195.222	1.241	50	20	ADGD	
C[C@H](C(=O)NN(C)C1CC1)C1CCC1	819652702	ALONWCRNSUVDOC-QMMMGPOBSA-N	196.294	1.548	50	20	ADGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NN	42583106	RGBQDQYEIITAJS-SFYZADRCSA-N	185.271	1.128	50	20	ADGD	
C[C@@H](CCl)[C@@H]1CCS(=O)(=O)C1	85042995	FFOVGOIOOKKLCL-NKWVEPMBSA-N	196.699	1.296	50	20	ADGD	
O=C=NC1=Cc2ccccc2OC1	238850653	CIROYHXZUTYXDG-UHFFFAOYSA-N	173.171	1.756	50	20	ADGD	
C[C@H]1C[C@H](C)CCC1=NNC(N)=O	252473768	XCFJKZPTBRVFMI-RQJHMYQMSA-N	183.255	1.467	50	20	ADGD	
CCOC(=O)NN=Cc1ccsc1	379407459	YSPZMXFFGBPQBV-UHFFFAOYSA-N	198.247	1.828	50	20	ADGD	
Cl[C@H]1C=CNc2[nH]ncc21	100395549	RXYRAWLCKGEBEY-YFKPBYRVSA-N	155.588	1.629	50	20	ADGD	
COC[C@@]1(CCl)CCO[C@@H]1C	126164006	OCTAGUWIFKDRCN-SFYZADRCSA-N	178.659	1.667	50	20	ADGD	
C=CCCC(=NNC(=O)NC)C1CC1	747753667	LIJXGSXMJTVOEK-UHFFFAOYSA-N	195.266	1.648	50	20	ADGD	
CN(C)C(=O)NN=CC(C)(C)C	307985625	QZSIOGKBMOZQSG-UHFFFAOYSA-N	171.244	1.290	50	20	ADGD	
CC(=O)NN=Cc1ccc(F)cc1	308141337	ITFUNJWKKVSTAB-UHFFFAOYSA-N	180.182	1.296	50	20	ADGD	
CCC[C@H](C)CC(=O)NN(C)C1CC1	819645923	GRVVRTWXNADTBR-VIFPVBQESA-N	198.310	1.938	50	20	ADGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NN	841785902	LHZYZRSIPJNAGA-IUCAKERBSA-N	199.298	1.518	50	20	ADGD	
N#CC(C#N)=CNC1CCCCC1	38760626	GYXGUIZUPGNMPK-UHFFFAOYSA-N	175.235	1.840	50	20	ADGD	
O=C(CCl)NCc1cccc(O)c1	82276883	FCNRFKHIZLYRMC-UHFFFAOYSA-N	199.637	1.247	50	20	ADGD	
CC1(C)CCCC[C@@H]1NC(=O)NN	86879048	AIMAMRASYZRZIQ-ZETCQYMHSA-N	185.271	1.128	50	20	ADGD	
CC(C)=NNC(=O)c1ccc[nH]1	307024449	WCIIYVOBABVQLS-UHFFFAOYSA-N	165.196	1.140	50	20	ADGD	
COC(=O)NN=C1CCS[C@@H]1C	378799987	TXFROXFAHAPDMH-RXMQYKEDSA-N	188.252	1.224	50	20	ADGD	
C[C@H]1CCCC1=NN(C)C(N)=O	379314942	QRBGYSCSOGUSHT-LURJTMIESA-N	169.228	1.173	50	20	ADGD	
Cc1ccccc1[C@@H](C)CC(=O)NN	825645118	PWAXQWFBQMTUEL-VIFPVBQESA-N	192.262	1.479	50	20	ADGD	
O=C(NN=C1CC[C@@H]2C[C@H]12)C1CCC1	872351579	IARXAQMCLNMKIR-BDAKNGLRSA-N	192.262	1.689	50	20	ADGD	
Cc1ccc(NC(=O)CCl)c(O)c1	41689600	APVITMJEFJQXEW-UHFFFAOYSA-N	199.637	1.878	50	20	ADGD	
C[C@H]1OCC[C@H]1CCl	86253657	IKJZFVUEXRVHGI-RITPCOANSA-N	134.606	1.650	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)C1CCC1	308339928	QKHBTYXJMIFCFX-IONNQARKSA-N	180.251	1.545	50	20	ADGD	
O=C(NN=C1CCCC1)c1ccc[nH]1	725855508	YCMWLSMATCWOLH-UHFFFAOYSA-N	191.234	1.675	50	20	ADGD	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)N(C)N	1573636264	NLDALJJYRXDLIO-HXFLIBJXSA-N	182.267	1.001	50	20	ADGD	
CC(C)(C)N1C[C@@H](CCl)OC1=O	70587774	HAQRVJXVMSWGQK-ZCFIWIBFSA-N	191.658	1.845	50	20	ADGD	
CCOC(=O)/C(C#N)=C/NCC(C)C	730940716	IZWWMIXEEKBFAJ-VQHVLOKHSA-N	196.250	1.203	50	20	ADGD	
CNC(=O)NN=C1CC[C@@H](C)[C@H](C)C1	767371467	ZLWIYKGRSPNVRE-HTQZYQBOSA-N	197.282	1.728	50	20	ADGD	
C[C@@H]1CC[C@@H](C=NNC(=O)C2CC2)C1	800805413	XLDJJKUVXAMXCO-RKDXNWHRSA-N	194.278	1.935	50	20	ADGD	
O=C/C=C/COCc1ccccc1	38292719	NBGHOPTZIQWHKY-SNAWJCMRSA-N	176.215	1.958	50	20	ADGD	
CC(=NNC(N)=O)c1cccc(F)c1	252448069	RPLXTMISTRKXSB-UHFFFAOYSA-N	195.197	1.218	50	20	ADGD	
COc1ccccc1C=NNC(C)=O	254594726	VQFJUIVYSFBGIF-UHFFFAOYSA-N	192.218	1.165	50	20	ADGD	
CCC(=O)NN=C[C@@H]1C[C@@H]1C	307880315	QCLVFZIKFDMWKR-BQBZGAKWSA-N	154.213	1.154	50	20	ADGD	
C[C@H]1CCC[C@@H](NC(=O)NN)CC1	235552907	ISDFVSDCNGJKED-JGVFFNPUSA-N	185.271	1.128	50	20	ADGD	
CC1(C)CCC1=NNC(=O)C(F)F	308306445	OSRXGUYMJFWEHL-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
NNC(=O)NCCCC1CCCC1	225398135	LUBADILNNHEGCA-UHFFFAOYSA-N	185.271	1.130	50	20	ADGD	
Cn1cc(CC(C)(C)CCl)nn1	236068189	UCZSFDSLSAOGLQ-UHFFFAOYSA-N	187.674	1.623	50	20	ADGD	
O=C(CCl)N1CC[C@@H]2C[C@@H]2C1	575499284	IRDGSRNBBADMPU-RNFRBKRXSA-N	173.643	1.094	50	20	ADGD	
Cc1nc(/C=C(/C#N)C(=O)O)[nH]c1C	606263990	HNXHIBUHQYWLCK-CLTKARDFSA-N	191.190	1.018	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)c1ccc[nH]1	755608185	HMBPCOKPDHDLKS-MRVPVSSYSA-N	193.250	1.776	50	20	ADGD	
N#CCC1(CNC=C(C#N)C#N)CC1	797398542	PPBPTIGFHGLSHA-UHFFFAOYSA-N	186.218	1.201	50	20	ADGD	
CC(=O)NNc1ccc(Cl)nc1	306275580	KYEWRRBGYRTYSV-UHFFFAOYSA-N	185.614	1.198	50	20	ADGD	
CCC(=O)NN=C[C@H]1C[C@H]1C	307880320	QCLVFZIKFDMWKR-RNFRBKRXSA-N	154.213	1.154	50	20	ADGD	
CCc1ccc(C=NNC(=O)O)s1	737260296	HRTFFCGSQMESHB-UHFFFAOYSA-N	198.247	1.912	50	20	ADGD	
CCC(=O)NN=C(C)c1ccc[nH]1	308307125	OYOPKKFJAWZEQN-UHFFFAOYSA-N	179.223	1.265	50	20	ADGD	
COC[C@H](NC=C(C#N)C#N)C(C)C	741650185	XWAGPRZMFBOVSN-JTQLQIEISA-N	193.250	1.178	50	20	ADGD	
CCNC(=O)NN=Cc1occc1C	743436838	ZQKYEDOUMGMZDH-UHFFFAOYSA-N	195.222	1.241	50	20	ADGD	
COC(=O)NN=C1CCCC[C@H]1C	6201553	MEOSWWJBFHSWHV-SSDOTTSWSA-N	184.239	1.909	50	20	ADGD	
ClCc1nc2c(o1)CCNC2	238536226	NOEKTVGCFCHPMY-UHFFFAOYSA-N	172.615	1.059	50	20	ADGD	in-vitro
CCNC(=O)N(C)N=C[C@H]1C[C@@H]1C	308435260	WBDKYPHSHIYBBD-JGVFFNPUSA-N	183.255	1.290	50	20	ADGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(N)=O	389070257	BYBJOIRZCMPQBG-JGVFFNPUSA-N	197.282	1.857	50	20	ADGD	
Cc1ccncc1NC=C(C#N)C#N	59375086	BCSANWQVRFWDNQ-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
C=CC[C@H](C)NS(=O)(=O)CCl	122936320	WXPGWSLSMJGNFT-LURJTMIESA-N	197.687	1.067	50	20	ADGD	
COC(=O)NN=C1CC(C(F)F)C1	307745861	SYDUZJCGVSPJDJ-UHFFFAOYSA-N	192.165	1.374	50	20	ADGD	
CCCNC(=O)NN=C1CC2(CC2)C1	814818814	KGBIWOUXHIWEOJ-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
C[C@@H]1CC[C@@H](C)C(=NN(C)C(N)=O)C1	834967425	DJIGPBXPCAEWLS-HTQZYQBOSA-N	197.282	1.809	50	20	ADGD	
O=C(CCl)NC[C@@H]1CC=CCC1	45630818	KXOAOJQCHHFEDQ-MRVPVSSYSA-N	187.670	1.698	50	20	ADGD	
CC(=O)NN=C(C)c1ccsc1	379321411	BZOVVNKONBVVHM-UHFFFAOYSA-N	182.248	1.608	50	20	ADGD	
O=C(CCl)N1CCC[C@@H](CF)C1	409427103	JNRDPBYGHKPAAI-ZETCQYMHSA-N	193.649	1.433	50	20	ADGD	
CC[C@@H]1[C@H](Cl)[C@@H]1C=O	536955005	NEXJDLJGGUKVGO-JKUQZMGJSA-N	132.590	1.449	50	20	ADGD	
C[C@@H]1C[C@@H]1C=NNC(=O)C1CCCC1	758373539	YOUSCZUMZDRSPS-PSASIEDQSA-N	194.278	1.935	50	20	ADGD	
CCCNC(=O)NN=C1CC[C@@H](C)C1	814819945	VDJXTKLQGWTRJA-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
CC(C)[C@H](C#N)C=NNC(=O)N(C)C	1340953158	WRCCAOQHKBTPMT-MRVPVSSYSA-N	196.254	1.039	50	20	ADGD	
CCCC1CCC(NC(=O)NN)CC1	49549128	SQWJYGMPEBZETP-UHFFFAOYSA-N	199.298	1.518	50	20	ADGD	
CCCC(=O)NCC(Cl)Cl	306487252	YMQVMEZSGKQHLR-UHFFFAOYSA-N	184.066	1.706	50	20	ADGD	
CC[C@H](C)C(=O)NN=Cc1ccco1	915976966	MUBBECADUYPLSL-QMMMGPOBSA-N	194.234	1.776	50	20	ADGD	
CCC(=O)NNc1cccc(F)c1	307753109	USSWFZAFNIVLQB-UHFFFAOYSA-N	182.198	1.679	50	20	ADGD	
CC(=O)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	308153781	PZPULGXYZFXXID-GUBZILKMSA-N	180.251	1.545	50	20	ADGD	
CNC(=O)/C(C#N)=C/c1occc1C	742349909	MBZZPCYZDPLFBG-VMPITWQZSA-N	190.202	1.241	50	20	ADGD	
Cc1ccc(C(=O)NN=CC2CC2)o1	755769807	XAIDMDQZYXABJL-UHFFFAOYSA-N	192.218	1.714	50	20	ADGD	
O=C(NN=C1CC[C@H]1C1CC1)C1CC1	814699438	DTMHIVKSXOPVLF-VIFPVBQESA-N	192.262	1.689	50	20	ADGD	
COC1CCC(=NNC(=O)O)CC1	833718691	DLRPUKXGNYDQDM-UHFFFAOYSA-N	186.211	1.199	50	20	ADGD	
C[C@@H]1CSCCN1C(=O)CCl	69761284	VFISHQGQYYQQDF-ZCFIWIBFSA-N	193.699	1.189	50	20	ADGD	
Cc1coc(CCCl)n1	84306273	UIPIEPAFLCUSNE-UHFFFAOYSA-N	145.589	1.764	50	20	ADGD	
Cc1ncsc1/C=C(\C#N)C(=O)O	214875277	CCRJTOUBKLAZLV-QHHAFSJGSA-N	194.215	1.443	50	20	ADGD	
CC(C)C=NNC(=O)c1ccc[nH]1	308152447	PFLRHXJHIJEDAN-UHFFFAOYSA-N	179.223	1.386	50	20	ADGD	
CCC(=NNC(=O)NC)[C@@H]1C[C@@H]1C	841620576	JAEGOWRMXFPDFD-NKWVEPMBSA-N	183.255	1.337	50	20	ADGD	
CCCC(=O)NNc1ccc(F)cn1	874652017	UHEFZAPYRQLOAO-UHFFFAOYSA-N	197.213	1.464	50	20	ADGD	
CCOC(=O)NN=Cc1ccncc1	916267949	ZMKOIMYUMYJFKB-UHFFFAOYSA-N	193.206	1.162	50	20	ADGD	
F[C@@H]1COC[C@H]1Br	1537958157	AWZMROPNYAMGRQ-QWWZWVQMSA-N	168.993	1.118	50	20	ADGD	
C#CCC1(C(=O)N(C)N)CCCCC1	1573306721	NGFKFZHDPDADNE-UHFFFAOYSA-N	194.278	1.292	50	20	ADGD	
CSCc1ccc(C(=O)NN)cc1	37388002	VSTGPDGMXYCJJK-UHFFFAOYSA-N	196.275	1.153	50	20	ADGD	
Cc1ncsc1/C=C(/C#N)C(=O)O	84149122	CCRJTOUBKLAZLV-KXFIGUGUSA-N	194.215	1.443	50	20	ADGD	
CSCC[C@@H](C)NC(=O)CCl	135282105	IVRFCYDTEIFKHK-ZCFIWIBFSA-N	195.715	1.483	50	20	ADGD	
CC(C)(C)C[S@@](=O)Cl	196506561	IFDYZVIEBKJYIW-MRVPVSSYSA-N	154.662	1.935	50	20	ADGD	
CCNC(=O)NN=Cc1cccs1	308477425	MIYGJVRRLUFPHW-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
CC(C)=C(Br)C=O	5158133	QPXZIWMBYOJZCG-UHFFFAOYSA-N	163.014	1.874	50	20	ADGD	
CC1(C)COCN1C(=O)Cl	39056258	PFUKZLROXBQEGY-UHFFFAOYSA-N	163.604	1.414	50	20	ADGD	
C[C@]1(N=C=S)CCCO1	63772279	CHSYYOIROXXRIC-ZCFIWIBFSA-N	143.211	1.616	50	20	ADGD	
C#CCCCN1CC=C(C#N)CC1	306662566	PVIWVKYTOIZVPP-UHFFFAOYSA-N	174.247	1.555	50	20	ADGD	
CCOC[C@@]1(CCl)CCCO1	307736436	AQPDJYNGWFGRBA-QMMMGPOBSA-N	178.659	1.811	50	20	ADGD	
CSCC[C@@H](C)NC=C(C#N)C#N	379375982	RJMJNDPQZSXCGE-MRVPVSSYSA-N	195.291	1.649	50	20	ADGD	
COC[C@H](C)C(C)=NNC(=O)OC	379416289	RLECKLNYRSLNOR-LURJTMIESA-N	188.227	1.001	50	20	ADGD	
C=CCCOCCNC=C(C#N)C#N	756845692	FKZDYFMAINKYIB-UHFFFAOYSA-N	191.234	1.100	50	20	ADGD	
CC(C)C(=O)NN=CC[C@H]1CCOC1	765563628	PCHRIFQMJWCRNL-VIFPVBQESA-N	198.266	1.171	50	20	ADGD	
CCC(=NNC(=O)C(F)F)C1CC1	308285782	DFIAIOLVICGLFQ-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
F[C@H]1OCC[C@H]1Br	1537958164	KSCJRQMDEGNNAB-DMTCNVIQSA-N	168.993	1.466	50	20	ADGD	
O=C(CCl)N[C@H]1CC=CCC1	84066813	JRMPQBUSGHAXKK-ZETCQYMHSA-N	173.643	1.450	50	20	ADGD	
CCCCN1CC=C(C#N)CC1	259314226	WBYSAYFOAYRFLH-UHFFFAOYSA-N	164.252	1.942	50	20	ADGD	
CCCCC(=O)NN=c1cc[nH]cc1	780762118	YWCNYRGQPHNYTF-UHFFFAOYSA-N	193.250	1.137	50	20	ADGD	
CCC(CC)NS(=O)(=O)CCl	82511968	JWRQUWKHXMTGOC-UHFFFAOYSA-N	199.703	1.291	50	20	ADGD	
N#C[C@@H](O)c1ccccc1F	100092774	SDADKJCPTQNFRZ-MRVPVSSYSA-N	151.140	1.383	50	20	ADGD	
CCCCC=NN(C)C(=O)NCC	393712078	ROKVYZKNCZQQID-UHFFFAOYSA-N	185.271	1.824	50	20	ADGD	
CC1(C)OCCC1=NNC(=O)C1CC1	814699833	KIOAHUCSLSVAOQ-UHFFFAOYSA-N	196.250	1.068	50	20	ADGD	
CC(C)[C@]1(C)C[C@H]1NC=C(C#N)C#N	840731408	ZEMVTIHJIWCLTK-MNOVXSKESA-N	189.262	1.942	50	20	ADGD	
CCc1ccc(C=NNC(N)=O)cc1	252447358	JJXWVRZLDHLXQQ-UHFFFAOYSA-N	191.234	1.251	50	20	ADGD	
C#CC[C@H](F)CBr	585142177	IFZFAUXHCLSREG-YFKPBYRVSA-N	165.005	1.743	50	20	ADGD	
CCOCC(=O)NN=C1CC[C@@H]1CC	807971807	CJRQWVKKRGSTQF-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
N#CC(C#N)=Cc1cccc2c1OCO2	915981251	MITVLTJOIALQEL-UHFFFAOYSA-N	198.181	1.846	50	20	ADGD	
CC(=O)NN=C(C)CCc1ccco1	917023584	XZKMSSBBWGAPIU-UHFFFAOYSA-N	194.234	1.724	50	20	ADGD	
O=C[C@@]1(CCCl)C[C@H]2CC[C@H]1O2	306247367	FDLCKSWLXAYMMQ-IWSPIJDZSA-N	188.654	1.752	50	20	ADGD	
N#CC1=CCN(CC2CC2)CC1	307538970	PTMCMDSLJOYZIZ-UHFFFAOYSA-N	162.236	1.552	50	20	ADGD	
C[C@H](NC=C(C#N)C#N)c1ccc[nH]1	760228914	MBRWCFCGLRRWKM-QMMMGPOBSA-N	186.218	1.596	50	20	ADGD	
Cc1cc(N=C=O)ccc1[N+](=O)[O-]	20280855	HAMUBUDCZMYIOV-UHFFFAOYSA-N	178.147	1.871	50	20	ADGD	in-vitro
COCC(C)(C)C(=O)Cl	145650997	DRHXPCBQKKTJHA-UHFFFAOYSA-N	150.605	1.424	50	20	ADGD	
Cc1cncc(NC(=O)CCl)c1	218371531	YXTHDUKJQPZOIP-UHFFFAOYSA-N	184.626	1.567	50	20	ADGD	
O=C(CCl)NC1(C2CC2)CC1	306473258	ULSWYQKKPUNGFX-UHFFFAOYSA-N	173.643	1.284	50	20	ADGD	
NNC(=O)C1[C@H]2CCCCCC[C@H]12	306653614	HBUBWNIWCJDVGU-YUMQZZPRSA-N	182.267	1.193	50	20	ADGD	
CC[C@H](C)C=NNC(=O)C1CCC1	308289696	GGSVFWAKTMXTLE-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NN	841907802	DUQQSAJRKAOVME-IUCAKERBSA-N	199.298	1.376	50	20	ADGD	
C[C@H](CCl)CC[S@](C)=O	306571736	GHYPKZXSMALBJT-RCOVLWMOSA-N	168.689	1.630	50	20	ADGD	
CC[C@H](C)C(=O)NN=CC1(C)CC1	308311499	RRJVGPCYKUBDSK-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
C[C@@H](C#N)C(=O)NNc1ccccc1	736667687	SACHNFNYWSVIOU-QMMMGPOBSA-N	189.218	1.289	50	20	ADGD	
CC[C@H](CC1CCCCC1)C(=O)NN	825652187	QFPLOLGZFSGOLN-SNVBAGLBSA-N	198.310	1.973	50	20	ADGD	
C[C@H]1CCCCC1=NNC(N)=O	4410625	ZOMWHULATAXVJE-LURJTMIESA-N	169.228	1.221	50	20	ADGD	
O=C(NNc1ccccc1)C(F)F	5737536	AXQXXGZZKZXKKF-UHFFFAOYSA-N	186.161	1.395	50	20	ADGD	
CCOCC(=O)NNc1ccccc1	201408164	RDBFPDURIBQWLJ-UHFFFAOYSA-N	194.234	1.166	50	20	ADGD	
CC[C@H](C)C(=O)NN=C(C)C	306275704	RASPFFSUJXVTAL-ZETCQYMHSA-N	156.229	1.545	50	20	ADGD	
CC(=O)NN=C(C)c1ccccc1O	383716512	VRUZYCFKHJOULV-UHFFFAOYSA-N	192.218	1.252	50	20	ADGD	
CC[C@H]1CCCC1=NNC(C)=O	388423732	JAOVBIFAEVKPEK-QMMMGPOBSA-N	168.240	1.689	50	20	ADGD	
COCCC(=O)NNc1ccccc1	732265492	GSWKWWCDYYYBIT-UHFFFAOYSA-N	194.234	1.166	50	20	ADGD	
CN(NC(=O)CCC1(C)CC1)C1CC1	823251310	UZYXTJWYAGIYKU-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
CC(=O)NN=C(C)c1cc(C)oc1C	916267452	LVJNQBYYEKOWHZ-UHFFFAOYSA-N	194.234	1.757	50	20	ADGD	
N#CC(C#N)=Cc1ccc(C(=O)O)o1	1601045463	DRICHYRACUNTGL-UHFFFAOYSA-N	188.142	1.408	50	20	ADGD	
CCOC(=O)CC[C@H](Cl)C(=O)O	146562547	RBVJVAULCBMXGO-YFKPBYRVSA-N	194.614	1.022	50	20	ADGD	
C[C@H]1CCC(=NN(C)C(N)=O)[C@H](C)C1	783861977	APUASPXLJVKMRQ-JGVFFNPUSA-N	197.282	1.809	50	20	ADGD	
CC[C@@](C)(C=NNC(=O)OC)OC	834919524	WIEXGVIOBTZCTP-QMMMGPOBSA-N	188.227	1.143	50	20	ADGD	
CCc1csc(=O)n1C/C=C\C#N	842586693	WKJHEBAFQSNGCH-ARJAWSKDSA-N	194.259	1.552	50	20	ADGD	
CC(C)(C)c1ncc(C(=O)NN)s1	82416798	SGSCJRGSTPSCJD-UHFFFAOYSA-N	199.279	1.044	50	20	ADGD	
COC(=O)NN=C1CC2(CC2)C1	307364393	KXLOCMZLICTMDR-UHFFFAOYSA-N	168.196	1.272	50	20	ADGD	
CCCCC=NNC(=O)C(F)F	307974976	JZVLWJRYOUACSB-UHFFFAOYSA-N	178.182	1.544	50	20	ADGD	
CCC(=NN(C)C(=O)OC)C1CC1	308300867	LUEVNIAMZIOXEC-UHFFFAOYSA-N	184.239	1.861	50	20	ADGD	
OB(O)[C@H]1CCc2ccccc2C1	536952342	BYGRYMGPYSKDKR-JTQLQIEISA-N	176.024	1.018	50	20	ADGD	
CNNC(=O)Nc1cccc(C)c1C	857764720	YSRCYMCQJJZVNN-UHFFFAOYSA-N	193.250	1.559	50	20	ADGD	
CC(C)[C@H](C#N)C=NNC(=O)C1CC1	1319613141	PTNIWRJHOOFPIW-SECBINFHSA-N	193.250	1.294	50	20	ADGD	
C[C@H]1CCCC(=NNC(=O)CCO)C1	1323529773	KRPHHVCMUCZGPF-QMMMGPOBSA-N	198.266	1.051	50	20	ADGD	
CCC1(CC)CN(C(=O)CCl)C1	390779775	RENAVRBHHIGRBZ-UHFFFAOYSA-N	189.686	1.874	50	20	ADGD	
O=C[C@]1(CCl)CCCS1	306247338	DYVVPIKFBSJBJW-ZCFIWIBFSA-N	164.657	1.690	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H](C#N)C1	378871763	PIXFJCMRHZVBRI-MRVPVSSYSA-N	179.223	1.192	50	20	ADGD	
CC1CC(CNC(=O)CCl)C1	575491648	MQFOIKORFVMAND-UHFFFAOYSA-N	175.659	1.388	50	20	ADGD	
CC(C)(C)C=NNC(=O)c1ccc[nH]1	755609406	VPSQUEQURKKREC-UHFFFAOYSA-N	193.250	1.776	50	20	ADGD	
C[C@H]1OCC[C@@]1(C)NC=C(C#N)C#N	783690050	ZXIDECRAJMNYNS-PSASIEDQSA-N	191.234	1.075	50	20	ADGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NN	852771979	FCTXEOVGYJYADR-VHSXEESVSA-N	190.246	1.088	50	20	ADGD	
CC(=O)NN=Cc1cccc(F)c1	254870278	PVAWLHUBUBMCIC-UHFFFAOYSA-N	180.182	1.296	50	20	ADGD	
C=CCN1CC=C(C#N)CC1	259203101	NGSFVDCAOAMUAD-UHFFFAOYSA-N	148.209	1.328	50	20	ADGD	
CCC(COC)=NNC(=O)C(C)C	308321815	ZBVUVTKFRHZHED-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
CC(C)SCCNC=C(C#N)C#N	379407116	YBMHIUAWADDATD-UHFFFAOYSA-N	195.291	1.649	50	20	ADGD	
C=CCCCC(=O)NN(C)C1CC1	819648421	DJKHDZFSVVXHBT-UHFFFAOYSA-N	182.267	1.468	50	20	ADGD	
CCCC(=O)NN[C@H](C)C(F)(F)F	862303241	NDLZXHYRRXVLOL-RXMQYKEDSA-N	198.188	1.358	50	20	ADGD	
CC[C@@H](C)C(=O)NN=Cc1ccc[nH]1	915975908	ZMHDTOAMTFKRLV-MRVPVSSYSA-N	193.250	1.511	50	20	ADGD	
CCC(=O)OC(=O)c1ccccc1	100104646	KZTMCBOPTQHICJ-UHFFFAOYSA-N	178.187	1.780	50	20	ADGD	
CCNC(=O)NN=C1CCC(C)(C)C1	783833722	OLGQKZTWVGXEBD-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
C[C@H](CCl)Cn1ccnc1	70066298	XWYPGCDRNYPJPP-SSDOTTSWSA-N	158.632	1.758	50	20	ADGD	in-vitro
CC/C=C/CNS(=O)(=O)CCl	384729464	JDTQUPYGGYEDAC-ONEGZZNKSA-N	197.687	1.068	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1C=CCC1	887272736	UMMJOCMCTDQALF-VIFPVBQESA-N	173.219	1.473	50	20	ADGD	
O=C(NNc1ccccc1)NC1CC1	1262165836	KAYLBNZNBPQLIK-UHFFFAOYSA-N	191.234	1.475	50	20	ADGD	
CCOC(=O)NN=Cc1ccc(C)o1	254754155	DAICCKGNORJWMS-UHFFFAOYSA-N	196.206	1.668	50	20	ADGD	
N#CC1=CCN(Cc2ccncc2)CC1	259326242	WVSLRAPDSCUCEZ-UHFFFAOYSA-N	199.257	1.737	50	20	ADGD	
CCCC=NNC(=O)C(C)(C)C	307974703	JYIDXDLSWGAVGR-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
COC(=O)NN=C(C)C1CCCC1	308326742	FWJNRQICGAWEKU-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
BrC[C@@H]1C[N@]1CC1CC1	1857775807	APIRZHDGBPSPDT-APPZFPTMSA-N	190.084	1.476	50	20	ADGD	
Cn1nccc1CCCCCl	230895746	VGLFVDPFHOBDCI-UHFFFAOYSA-N	172.659	1.982	50	20	ADGD	
CO[C@@H](C=NNC(=O)C(C)C)C1CC1	853273428	KKDVMWWNRDSJCP-VIFPVBQESA-N	198.266	1.169	50	20	ADGD	
C=C(C)CCC(=O)NNC(=O)C(C)C	1335396258	FMPWDUAEROLHJR-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
C[C@@H]1CCCCC1=NNC(N)=O	4410624	ZOMWHULATAXVJE-ZCFIWIBFSA-N	169.228	1.221	50	20	ADGD	
O=C(CCl)N[C@H]1C=CCCC1	196510245	OOLRNHQZDJITHP-ZETCQYMHSA-N	173.643	1.450	50	20	ADGD	
CC(C)(O)[C@@H]1C[C@@H]1Br	238186283	DMZSQXLWJAJGED-UHNVWZDZSA-N	179.057	1.541	50	20	ADGD	
CC(C)OCC[S@](=O)Cl	306851303	QJUXUJLHRJGIIM-VIFPVBQESA-N	170.661	1.314	50	20	ADGD	
CCNC(=O)NN=CCC(C)C	308000557	ZHKSVXZHLZBABV-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
CCC(=O)NN=C1CCS[C@@H]1C	382372315	GXGCOMHITDVRNJ-ZCFIWIBFSA-N	186.280	1.394	50	20	ADGD	
C#CC(=O)NNc1c(F)cccc1F	754084688	NWOJIEKKMGZXOX-UHFFFAOYSA-N	196.156	1.041	50	20	ADGD	
CC(C)=NNC(=O)NCc1ccco1	920829031	JNKMPRSGBBBSAA-UHFFFAOYSA-N	195.222	1.475	50	20	ADGD	
N#CC(C#N)=Cc1cncs1	200791056	QACGDGVJZCFROB-UHFFFAOYSA-N	161.189	1.574	50	20	ADGD	
CCCC[C@H](C)C(C)=NNC(N)=O	308014467	KDYDDEJUSKRRME-ZETCQYMHSA-N	185.271	1.857	50	20	ADGD	
CCSCCCNC=C(C#N)C#N	308506733	ZNPYCBLGAKCJIB-UHFFFAOYSA-N	195.291	1.650	50	20	ADGD	
COC(=O)N(C)N=C[C@@H]1C[C@H]1C	379338583	LCZLEVPZWPLPLG-RQJHMYQMSA-N	170.212	1.326	50	20	ADGD	
CCC(=NNC(=O)N(C)C)[C@@H]1C[C@H]1C	841622126	SWCKWBCDBFJDFJ-HTQZYQBOSA-N	197.282	1.680	50	20	ADGD	
C[C@H](Br)Cc1ncc[nH]1	40289092	SYYSWMWROIMPHD-YFKPBYRVSA-N	189.056	1.736	50	20	ADGD	
CSC(C)(C)CNC(=O)CCl	135283867	CBPMBQLYMWGPJA-UHFFFAOYSA-N	195.715	1.483	50	20	ADGD	
Cc1cccnc1NC=C(C#N)C#N	232683362	VVCCDCLAHZECBB-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
N#CC(C#N)=CNCC1(C2CC2)CC1	751524063	QTOZEEBMEWPKMK-UHFFFAOYSA-N	187.246	1.697	50	20	ADGD	
C=C(C)CNC(=O)/C(C#N)=C\OCC	779130447	UNBQYHWPFWKCPG-CLFYSBASSA-N	194.234	1.123	50	20	ADGD	
CC[C@H]1CCCC[C@@H]1C(=O)N(C)N	1573714124	YTGUDTDYGSSQSF-IUCAKERBSA-N	184.283	1.535	50	20	ADGD	
C#CCCCCNC=C(C#N)C#N	308336799	OGAUDBQZXZQCGU-UHFFFAOYSA-N	173.219	1.311	50	20	ADGD	
C[C@@](C#N)(NC=C(C#N)C#N)C1CC1	747839757	KRHHITOZCJFSKA-JTQLQIEISA-N	186.218	1.199	50	20	ADGD	
CC(C)CC=NNC(=O)c1cc[nH]n1	853392003	BPXRCSXZXTVUDM-UHFFFAOYSA-N	194.238	1.171	50	20	ADGD	
CCC(=O)NN=C(C)c1ccc(C)o1	915916948	XLELPSKLOVYWSB-UHFFFAOYSA-N	194.234	1.838	50	20	ADGD	
CC[C@@H](NC(=O)NN)C1CCCC1	306836344	UKYSODLFPVMRON-MRVPVSSYSA-N	185.271	1.128	50	20	ADGD	
C=CCCC(C)=NNC(=O)OC	307999256	YIYBLDPYMQHVFQ-UHFFFAOYSA-N	170.212	1.685	50	20	ADGD	
CCC(CC)=NNC(=O)C(C)C	379312181	WUHSDNJMEPTPPF-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
CCC(=NNC(C)=O)C1CCOCC1	745193300	MPZCCQQKCVNMER-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C[C@H](Cl)C(=O)N1CC(CF)C1	409431794	SSPSZQPCNGZQEE-YFKPBYRVSA-N	179.622	1.042	50	20	ADGD	
CC[C@](C)(C=NNC(=O)C1CC1)OC	834918267	RHHAMSMFUUHHGB-SNVBAGLBSA-N	198.266	1.314	50	20	ADGD	
COC(=O)NN=C(C)c1ccc[nH]1	308386368	XDVRWEPRRBPHBN-UHFFFAOYSA-N	181.195	1.095	50	20	ADGD	
CCC[C@H](C)C(CC)=NNC(N)=O	379397625	DWRRTYPHPBYBLQ-ZETCQYMHSA-N	185.271	1.857	50	20	ADGD	
Cc1cccnc1NNC(=O)C1CC1	791214924	JSNDRBMCPQMGKH-UHFFFAOYSA-N	191.234	1.243	50	20	ADGD	
C[C@@H]1CC(=NNC(=O)CC2CC2)CO1	842533765	RQCYZVQXTRBAQH-SSDOTTSWSA-N	196.250	1.068	50	20	ADGD	
C[C@@H](C1CC1)N(C)C(=O)CCl	36785396	OCEQRHLUTRIXMG-LURJTMIESA-N	175.659	1.482	50	20	ADGD	
CCC(C=NNC(=O)N(C)C)CC	308330684	INXCKMUUYZSHRB-UHFFFAOYSA-N	185.271	1.680	50	20	ADGD	
CN(C)C(=O)NN=CC1(C)CC1	379335585	OVPOPNNSUKHMHB-UHFFFAOYSA-N	169.228	1.044	50	20	ADGD	
CC(C)[C@@H]1CCCC1=NN(C)C(N)=O	767903800	JEYFTMUIRXPRPZ-QMMMGPOBSA-N	197.282	1.809	50	20	ADGD	
CCC[C@H](C=NNC(=O)C1CC1)OC	834917796	JNORSAWQGASTEF-SECBINFHSA-N	198.266	1.314	50	20	ADGD	
Cn1cc(CC2(CCl)CC2)nn1	236113852	CFAYNXJPMSVZAS-UHFFFAOYSA-N	185.658	1.377	50	20	ADGD	
COC(=O)NCCSSC	306177129	ACKASAJOMFMRGU-UHFFFAOYSA-N	181.282	1.354	50	20	ADGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(N)=O	769566770	JNMAYUGJTMLWEU-YUMQZZPRSA-N	197.282	1.857	50	20	ADGD	
CC(C)C(=O)NN=CC1CC1	379260302	MBXCRULOIDODKA-UHFFFAOYSA-N	154.213	1.154	50	20	ADGD	
CCOC(=O)NN=C(C)c1ccc[nH]1	713302551	MQSARMLHZIVUEZ-UHFFFAOYSA-N	195.222	1.485	50	20	ADGD	
CC(CC1CCCC1)=NN(C)C(N)=O	767911374	RRQKZPJPOGIGCD-UHFFFAOYSA-N	197.282	1.953	50	20	ADGD	
COCC[C@@H]1CCCC1=NNC(C)=O	799865710	VPXSSOIBBPYNCE-VIFPVBQESA-N	198.266	1.315	50	20	ADGD	
CCCC(=O)NNc1ncccc1F	804211400	MXXIOIUIKIPXKD-UHFFFAOYSA-N	197.213	1.464	50	20	ADGD	
CC1(C=NNC(=O)C(C)(C)C)COC1	814805766	MZEDPTVPLGBVSX-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
CC(C)=CCC[C@H](C)NC(=O)NN	841908009	HWKRXRDWLKFWBC-QMMMGPOBSA-N	185.271	1.294	50	20	ADGD	
O=C1CCCCN1CCCl	36724142	ODVVKGPPFPLMAI-UHFFFAOYSA-N	161.632	1.238	50	20	ADGD	
CCCOC(=O)/C(C#N)=C/C1CC1	308230808	OQEXPBHKKIKFFH-RMKNXTFCSA-N	179.219	1.800	50	20	ADGD	
CC(C)C(=O)NNc1ccnc(F)c1	781365473	PSIKHFYOTQDENV-UHFFFAOYSA-N	197.213	1.320	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1C[C@H]1c1ccco1	840729783	PBUGDLKKXOWMAU-NXEZZACHSA-N	199.213	1.656	50	20	ADGD	
COC(=O)NN=C/C=C\c1ccco1	920361446	NWKKUZDERWOYPL-NFTXUVQCSA-N	194.190	1.635	50	20	ADGD	
C[C@@H]1COC[C@H]1CCl	66054526	KMOYMQUNADPLGJ-PHDIDXHHSA-N	134.606	1.508	50	20	ADGD	
Cn1ccnc1CCBr	69030127	HVHMWJGYUOWZKK-UHFFFAOYSA-N	189.056	1.358	50	20	ADGD	
CN(C)C(=O)NN=Cc1ccsc1	308477356	MFQMPPOPKGCJNJ-UHFFFAOYSA-N	197.263	1.353	50	20	ADGD	
COC1(CNC=C(C#N)C#N)CCC1	779703158	DWHRMPVWQPSHPH-UHFFFAOYSA-N	191.234	1.076	50	20	ADGD	
CNC(=O)NN=CCC1CCCCC1	814814677	VMQOVTBAENHAEE-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC[C@@H](F)C(=O)NNc1ccccn1	1335856697	DWVYIGXSNRKUGJ-SSDOTTSWSA-N	197.213	1.273	50	20	ADGD	
CCOC(=O)/C(C#N)=C/C1CC1	2535253	OVKQBPBQZZMVBY-VMPITWQZSA-N	165.192	1.409	50	20	ADGD	
CCC1CN(C(=O)CCl)C1	168067182	WGQYZQZWYSGHJK-UHFFFAOYSA-N	161.632	1.094	50	20	ADGD	
COC(=O)NN=C1CCC[C@@H]1F	872326449	JKXUUDGXTUOBHO-YFKPBYRVSA-N	174.175	1.220	50	20	ADGD	
ClCc1nc2ccccn2n1	196473888	KGIPMUQPJGNQOT-UHFFFAOYSA-N	167.599	1.468	50	20	ADGD	
CO[C@H](C)CN1CC=C(C#N)CC1	306499369	JIJFLQHLQWROBS-SECBINFHSA-N	180.251	1.177	50	20	ADGD	
CCOC(=O)NN=C(C)CC	307904154	QFUUKJRPISZCNH-UHFFFAOYSA-N	158.201	1.518	50	20	ADGD	
CC1(C=NNC(=O)CC2CC2)CC1	378732786	DXDVKWGFTINAAA-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CN(NC(=O)C1CCCCC1)C1CC1	819643325	XYJGHQMCEDMSRQ-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
Cc1ccc(C[C@H](C)C(=O)NN)cc1	825651531	BCRAKHPQGNMHMV-VIFPVBQESA-N	192.262	1.164	50	20	ADGD	
CCC(=NN(C)C(N)=O)[C@H]1C[C@@H]1C	841631272	GPJXVBJFBXPYAA-BQBZGAKWSA-N	183.255	1.419	50	20	ADGD	
CCNC(=O)NCCSSC	307878858	PHHXCBGIAKZXDC-UHFFFAOYSA-N	194.325	1.317	50	20	ADGD	
CC(C)(C)CC=NNC(=O)C1CC1	379417636	UXXBQDJUGUTOHY-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(=NNC(=O)O)[C@H]1CCCOC1	833385299	VPLVXAUFFAGNLC-ZETCQYMHSA-N	186.211	1.057	50	20	ADGD	
CCOC(=O)NN=Cc1cccn1C	916267812	HZGPZUDKZAEDRL-UHFFFAOYSA-N	195.222	1.105	50	20	ADGD	
CC[C@H](C)C(=O)NN(C)C1CC1	819646020	YKSXSOOYWRAXTI-ZETCQYMHSA-N	170.256	1.158	50	20	ADGD	
BrCC12COC(C1)C2	1772798837	WTANHVUQECOVPV-UHFFFAOYSA-N	177.041	1.560	50	20	ADGD	
CCC(=O)NNc1cc(Cl)ccn1	307733593	NODCFNLLLDZAHD-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
CC(=O)NN=Cc1[nH]c(C)cc1C	308135494	FBOOKKPTKRSENY-UHFFFAOYSA-N	179.223	1.102	50	20	ADGD	
CCOC(=O)NN=C1CCC[C@H]1C	308423963	PZIOFQFPOJDUQP-SSDOTTSWSA-N	184.239	1.909	50	20	ADGD	
C[C@H](C=NNC(N)=O)C1CCCCC1	379610147	SUNMSTIZVFHUJU-MRVPVSSYSA-N	197.282	1.857	50	20	ADGD	
CC(C)(F)CCNC=C(C#N)C#N	849174470	GTNBEIPWRDUETE-UHFFFAOYSA-N	181.214	1.645	50	20	ADGD	
CO[C@@H]1CCCCC1=NNC(C)=O	308308607	PMMMNWDMMNQGIM-SECBINFHSA-N	184.239	1.068	50	20	ADGD	
CC[C@@H]1CC(=NNC(=O)O)CCO1	826660323	KIBXISJIYHTMSY-SSDOTTSWSA-N	186.211	1.199	50	20	ADGD	
NNC(=O)C1(C2CCCCC2)CC1	259034977	SABKTPRPSPVRJC-UHFFFAOYSA-N	182.267	1.337	50	20	ADGD	
CCNC(=O)NN=C(C(C)C)C1CC1	750936499	UIWZKCYSUVQTHL-UHFFFAOYSA-N	197.282	1.728	50	20	ADGD	
C[C@H](NC(=O)NN)[C@H]1CCC[C@@H](C)C1	841914336	CDQYBLINDLFYBN-VGMNWLOBSA-N	199.298	1.374	50	20	ADGD	
CCCC=NNC(=O)NCCCC	388320361	WVCNEQICAWSQQG-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
CCCCC(C)=NNC(=O)NCC	393722927	NZLAOBJQWZZHDC-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
CCc1ccc(/C=C(/C#N)C(N)=O)o1	760213429	PJSBCTRCSRMROD-ALCCZGGFSA-N	190.202	1.234	50	20	ADGD	
CC[C@@H](Cl)C(=O)N(CC)CC	50984150	GPRZILMALURRQG-SSDOTTSWSA-N	177.675	1.872	50	20	ADGD	
CCC(=O)NN=C(C)[C@@]1(C)CCCO1	782126923	FXOBRMRCLFTHCB-SNVBAGLBSA-N	198.266	1.458	50	20	ADGD	
C=C(CBr)CN(C)OC	307285310	KKMZZWMQZDSYQE-UHFFFAOYSA-N	194.072	1.431	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1C[C@H]2C=C[C@H]1C2	1352111160	VODBADAKWYWZGQ-ZMLRMANQSA-N	199.257	1.719	50	20	ADGD	
C[C@@H]1CCC[C@H]1NC(=O)CCl	70832184	ZQWZPGYACAKZNF-RNFRBKRXSA-N	175.659	1.530	50	20	ADGD	
CC[C@@H](C)C(C)=NNC(=O)C1CC1	379385748	VFPMOZNGOLBZOZ-SSDOTTSWSA-N	182.267	1.935	50	20	ADGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)C1CC1	834918476	VZBPVTYQMJCGIH-RQJHMYQMSA-N	196.250	1.066	50	20	ADGD	
CCC(C)=NNC(=O)[C@@H]1CCO[C@@H]1C	842554483	LOOAVUCWFDKYPJ-RKDXNWHRSA-N	198.266	1.314	50	20	ADGD	
CCCC[C@@H](CCC)NC(=O)NN	226158914	YBCRXSZBMICYPN-MRVPVSSYSA-N	187.287	1.518	50	20	ADGD	
CCSCCC=NNC(=O)OC	308170462	WJFDPIGTUBJQFI-UHFFFAOYSA-N	190.268	1.471	50	20	ADGD	
C/C=C/C(=O)NCCSSC	378928048	UOMUYGXOUAVVBF-ONEGZZNKSA-N	191.321	1.690	50	20	ADGD	
COC(=O)[C@@H](C)CCl	39642497	CHTWJLYZRAJEKG-BYPYZUCNSA-N	136.578	1.034	50	20	ADGD	
COC(=O)N(C)N=Cc1cccs1	379405260	SWAMHRZWDFLHCR-UHFFFAOYSA-N	198.247	1.780	50	20	ADGD	
C[C@@H]1OCC[C@@H]1CCl	86253664	IKJZFVUEXRVHGI-NTSWFWBYSA-N	134.606	1.650	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@H]1C	308483011	NZOJQWKQGDMMQC-SSDOTTSWSA-N	183.255	1.482	50	20	ADGD	
CCCSCC(C)=NNC(N)=O	383473119	GRMNSIQIRRFOAQ-UHFFFAOYSA-N	189.284	1.174	50	20	ADGD	
CC[C@H]1CCCC(=NNC(=O)NC)C1	734979215	DMFOKMJXRFXQSO-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1CO[C@H](C)C1	842524042	IHFNNGFEJCNBSN-JGVFFNPUSA-N	198.266	1.314	50	20	ADGD	
CCC(=O)NN=C/C=C\c1ccco1	920362225	QVTJOYOXIAQRJE-LTHNSYCASA-N	192.218	1.805	50	20	ADGD	
CC[C@H](C)C(=O)NN=C[C@@H]1C[C@H]1C	308136567	ADNVRLYQGIDIDE-YIZRAAEISA-N	182.267	1.791	50	20	ADGD	
CCNC(=O)NN=C[C@H](C)CC	388518427	VQLVSQOCDAYRPG-SSDOTTSWSA-N	171.244	1.337	50	20	ADGD	
C[C@@H]1CC[C@H](CNC=C(C#N)C#N)C1	794846206	YNBTVZMAEQSCSU-ZJUUUORDSA-N	189.262	1.943	50	20	ADGD	
C[C@H](C(=O)N(C)N)[C@@H](C)C(C)(C)C	1573397831	BMHGZISHIUYYAZ-JGVFFNPUSA-N	186.299	1.637	50	20	ADGD	
Cc1sccc1C(=O)N(C)N	1574208296	ZQGKYKBZDLTTRU-UHFFFAOYSA-N	170.237	1.002	50	20	ADGD	
O=C(Cl)N1CCCSCC1	86894029	LINJRHGJEZFDDQ-UHFFFAOYSA-N	179.672	1.784	50	20	ADGD	
NC(=O)NN=C1CCC[C@H](C2CC2)C1	252475438	DXRRAGCWBMZGEC-QMMMGPOBSA-N	195.266	1.611	50	20	ADGD	
COC(=O)C(C)(C)CN=C=S	307619319	XCBBYNSVHLDFQN-UHFFFAOYSA-N	173.237	1.288	50	20	ADGD	
COC(=O)NN=Cc1cccc(C)c1	714484129	IYPCNKCVJYVEOQ-UHFFFAOYSA-N	192.218	1.685	50	20	ADGD	
CC(C)C(=O)NNc1ccccc1F	748056977	GSVAHHXRIIMHQA-UHFFFAOYSA-N	196.225	1.925	50	20	ADGD	
CCC(=NNC(=O)COC)[C@H]1C[C@@H]1C	841628812	IVWDAVWEZKBOPT-YUMQZZPRSA-N	198.266	1.171	50	20	ADGD	
ClCc1cn(CC2CC2)nn1	52225812	RAIVSACNHDOSFN-UHFFFAOYSA-N	171.631	1.427	50	20	ADGD	
O=C(OCCl)C(Cl)Cl	205284199	FVCUMUOCIBFJLZ-UHFFFAOYSA-N	177.414	1.530	50	20	ADGD	
Cc1cc(F)ccc1C=NNC(N)=O	252666693	ARPCCKMMBFRLGJ-UHFFFAOYSA-N	195.197	1.136	50	20	ADGD	
CC(CCCO)=NNC(=O)CC1CC1	814988367	DFHPAOFODKAMFD-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CC(C)C=NNC(=O)C1CCOCC1	1336995043	JJIPOJSGKGGGOU-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
NC(=O)NN=C1CCC2(CC1)CC2	238588396	JQQPRISAVGFZCK-UHFFFAOYSA-N	181.239	1.365	50	20	ADGD	
CC1(C)CCCC1=NNC(N)=O	252677117	SKEWBFIEYMMSMP-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
C[C@H](Cl)C(=O)NC/C=C/C1CC1	379178697	OFIUHNWFVBSHTP-AIYRYJHASA-N	187.670	1.696	50	20	ADGD	
CC(=NN(C)C(N)=O)C1CCCCC1	767908747	WPXLTQAKYWWONU-UHFFFAOYSA-N	197.282	1.953	50	20	ADGD	
O=C(CO)NN=C1CCCCCCC1	776780878	PIRUGMYHOSSHCP-UHFFFAOYSA-N	198.266	1.195	50	20	ADGD	
COC(=O)N(C)N=Cc1ccc(C)o1	794961437	QCNWGGZGQACUDL-UHFFFAOYSA-N	196.206	1.620	50	20	ADGD	
C=CCCN1CC=C(C#N)CC1	307417654	WQPKAECYQGDWPC-UHFFFAOYSA-N	162.236	1.718	50	20	ADGD	
CO[C@@H](C)C(=O)NNc1ccccc1	732265531	LEGXWSMQHPMZMI-QMMMGPOBSA-N	194.234	1.165	50	20	ADGD	
Cc1cc(=NC=C(C#N)C#N)cc[nH]1	747834252	ROSGTPSPPZFWEU-UHFFFAOYSA-N	184.202	1.155	50	20	ADGD	
CC(CC1CC1)=NNC(=O)C(C)(C)O	785460831	MWDPNKYURBZWDO-UHFFFAOYSA-N	198.266	1.050	50	20	ADGD	
O=C(CC1CCCC1)NN=C1COC1	814826271	SIWRIHMNQYIPAR-UHFFFAOYSA-N	196.250	1.069	50	20	ADGD	
CCC(=NNC(=O)NC)[C@@H]1CC1(C)C	841621206	WFDMEQXTKUVOBC-ZETCQYMHSA-N	197.282	1.728	50	20	ADGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NN	841907800	DUQQSAJRKAOVME-BDAKNGLRSA-N	199.298	1.376	50	20	ADGD	
O=C(NN=Cc1ccc[nH]1)C1CCC1	731936170	KBQMSOMHIBWBRN-UHFFFAOYSA-N	191.234	1.265	50	20	ADGD	
CCCC(=O)NNc1ncccc1C	791219750	UERXGWFQRNJUDE-UHFFFAOYSA-N	193.250	1.633	50	20	ADGD	
CC(C)[C@@H]1C[C@H]1NC=C(C#N)C#N	840730364	UPXNXISWNSUOPQ-VHSXEESVSA-N	175.235	1.552	50	20	ADGD	
C#Cc1ccc(C(=O)F)cc1	2332241171	VGLKSIODLBWKLI-UHFFFAOYSA-N	148.136	1.778	50	20	ADGD	
COc1ccc([C@@H](N)CCl)cc1	259397034	NXVGSOHQDANBDX-VIFPVBQESA-N	185.654	1.934	50	20	ADGD	
CC(C)[C@@H]1[C@H](Cl)[C@@H]1C=O	536956424	WYSABFBUCNPOJB-DSYKOEDSSA-N	146.617	1.695	50	20	ADGD	
C[C@]1(NC=C(C#N)C#N)CCCOC1	771521185	RHNYYLQJYJCLMY-JTQLQIEISA-N	191.234	1.076	50	20	ADGD	
C[C@H]1C[C@@H]1CCl	57385895	QSOLBSRMEMQEGA-CRCLSJGQSA-N	104.580	1.881	50	20	ADGD	
C[C@@H](CCl)CO[C@H]1CCOC1	70067071	YQQLECWLSBFJAB-YUMQZZPRSA-N	178.659	1.667	50	20	ADGD	
CC(C)n1cncc1C=C(C#N)C#N	307394163	MZVCBQBAJOCLIV-UHFFFAOYSA-N	186.218	1.895	50	20	ADGD	
O=C[C@@]1(CCl)CCCOC1	307544399	HFYQKSIYWONJQC-ZETCQYMHSA-N	162.616	1.221	50	20	ADGD	
NC(=O)NN=C1CCCC12CCCC2	328048540	YTTBBMYENIVHOA-UHFFFAOYSA-N	195.266	1.755	50	20	ADGD	
CC[C@H]1CCC[C@@H](C=NNC(N)=O)C1	394614717	KHGYEDQQSNDSDB-DTWKUNHWSA-N	197.282	1.857	50	20	ADGD	
C[C@H](C(=O)N(C)N)[C@H](C)C(C)(C)C	1573397834	BMHGZISHIUYYAZ-YUMQZZPRSA-N	186.299	1.637	50	20	ADGD	
CC(=O)NCCCCCl	104630730	ZYKGFMGIBSMFRZ-UHFFFAOYSA-N	149.621	1.142	50	20	ADGD	
COC(=O)NN=Cc1occc1C	308506515	ZLBNDHWHVFEZLT-UHFFFAOYSA-N	182.179	1.278	50	20	ADGD	
CCC(=O)NN=Cc1scnc1C	388630277	KRSMKEZGFJZNMU-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CC[C@](C)(C#N)C(=O)NN(C)C1CC1	819652092	AGNPTHODCXQUQJ-SNVBAGLBSA-N	195.266	1.052	50	20	ADGD	
Cc1ncsc1C=NNC(=O)O	830834896	RMYCMNAOPCWVRX-UHFFFAOYSA-N	185.208	1.053	50	20	ADGD	
COC(=O)N(C)N=C[C@H](C#N)C(C)C	1327844280	XZJSNAJHCRJWCS-QMMMGPOBSA-N	197.238	1.466	50	20	ADGD	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)N(C)N	1573636266	NLDALJJYRXDLIO-LURQLKTLSA-N	182.267	1.001	50	20	ADGD	
CCCC=NNC(=O)C1CC1	256169839	LBAQNCSDZJDYNB-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
CC[C@](C)(C=O)CCl	306390896	XYVAUTOUTQWXEY-LURJTMIESA-N	134.606	1.840	50	20	ADGD	
CC[C@H]1CCCC(=NNC(=O)CO)C1	776782994	JSKDNMAEZJYLOU-QMMMGPOBSA-N	198.266	1.051	50	20	ADGD	
C/C=C/C(=O)NNc1ccnc(F)c1	781363604	HZMWYIPFOJQVPP-NSCUHMNNSA-N	195.197	1.240	50	20	ADGD	
COCCCN(C)C(=O)Cl	86894288	QBYCTQAOMLGTLG-UHFFFAOYSA-N	165.620	1.314	50	20	ADGD	
ClC[C@H]1CO[C@@]2(CCSC2)O1	134963703	UBGFHTBQKPMMNL-BQBZGAKWSA-N	194.683	1.474	50	20	ADGD	
COC(=O)N(C)N=Cc1ccsc1	379402393	MXJHBZCIXVWDAZ-UHFFFAOYSA-N	198.247	1.780	50	20	ADGD	
CN(N=C[C@@H]1C[C@H]2CC[C@H]1C2)C(N)=O	762433257	CLXYPMFVXPLDIS-CIUDSAMLSA-N	195.266	1.419	50	20	ADGD	
CCC(=O)NN=Cc1ccncc1C	834921659	XJJBJLROFYNMFG-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
O=C(CCO)NN=CC1CCCCC1	1323530493	QWLPPQROVBNZMS-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
OC[C@H](Cl)Cc1ccccc1	2507437	XDBGCROHSUMXHQ-SECBINFHSA-N	170.639	1.829	50	20	ADGD	
CCOC(=O)NN=C1CC2(CC2)C1	307207805	IWXRIYVHMCOCBD-UHFFFAOYSA-N	182.223	1.663	50	20	ADGD	
CC(C)OCCOC(=O)Cl	145263556	CANSGGIJUBZCMT-UHFFFAOYSA-N	166.604	1.787	50	20	ADGD	
CO[C@H](C)C(C)=NNC(=O)CC1CC1	814989783	VFVQFJRZXKCFED-MRVPVSSYSA-N	198.266	1.314	50	20	ADGD	
CC(=O)NN=C1C[C@@H](C)CC[C@@H]1C	834919484	VEIBPRCGCWZRCN-YUMQZZPRSA-N	182.267	1.935	50	20	ADGD	
C[C@@H]1CC(=NNC(=O)C(C)(C)C)CO1	842523970	FXKAPYIXPREEFM-SSDOTTSWSA-N	198.266	1.314	50	20	ADGD	
CCCCC(=O)NNC(=O)C1CCC1	732141875	YAMVMTWTMPGXHP-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
CN(N=C1CCC[C@H](C#N)C1)C(N)=O	814891048	LWWVERJPTYNJSX-ZETCQYMHSA-N	194.238	1.067	50	20	ADGD	
Cc1cc(NC(=O)CCl)ccn1	82256646	UMDGHRMMIWJKLD-UHFFFAOYSA-N	184.626	1.567	50	20	ADGD	
COCC(C)(C)CCl	157455481	AGGBNFRLRUBFEF-UHFFFAOYSA-N	136.622	1.898	50	20	ADGD	
CCc1ccc([C@@H](C)C(=O)NN)cc1	259051633	VFKUDUJHSNLJEY-MRVPVSSYSA-N	192.262	1.342	50	20	ADGD	
CC(C)CCC=NNC(N)=O	307773169	KIPRAMSKJXXUMA-UHFFFAOYSA-N	157.217	1.077	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CC=CCC1	308250049	FEJNLHVQNDAXSU-MRVPVSSYSA-N	181.239	1.258	50	20	ADGD	
CN(C)C(=O)NN=C1CCCCCC1	745613434	TXGNMDJKKZSIJM-UHFFFAOYSA-N	197.282	1.968	50	20	ADGD	
Oc1ccc([C@@H](O)CCl)cc1	37630191	LIRPGLPOHOMCQF-QMMMGPOBSA-N	172.611	1.664	50	20	ADGD	
CCC(=O)NNc1ccncc1Cl	307116754	PAPUCWXCOKXTSP-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
COC(=O)NN=C1CC(C)(C)C1	307328464	VULUEPKLAJXPFB-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)CC1CC1	382164372	UMUJKMQVZDCGSV-CBAPKCEASA-N	180.251	1.545	50	20	ADGD	
O=C(NN=C1CCOC1)C1CCCC1	731926284	VEPXEBPTEUCYHS-UHFFFAOYSA-N	196.250	1.069	50	20	ADGD	
COCC(C)=NNC(=O)C1CCCC1	750937894	SHDCQOCEAJMHIZ-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C[C@@H]1CC(=NNC(=O)C2CC2)[C@@H](C)O1	834918475	VZBPVTYQMJCGIH-RNFRBKRXSA-N	196.250	1.066	50	20	ADGD	
CC(C)C(=O)NN=C1C[C@H](C)O[C@H]1C	834928713	XLMNUFJSXQGIKT-YUMQZZPRSA-N	198.266	1.312	50	20	ADGD	
CCCCCC=NNC(=O)N(C)C	308215280	IZLHMOXAYRMDFX-UHFFFAOYSA-N	185.271	1.824	50	20	ADGD	
CCCCNC(=O)NN=CC(C)C	379351436	AJOKLHKIUZTQAC-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
CSCC[C@H](C)NC=C(C#N)C#N	379375983	RJMJNDPQZSXCGE-QMMMGPOBSA-N	195.291	1.649	50	20	ADGD	
Cc1csc(C(=O)N(C)N)c1	704680325	BDPRDUZVPRLHEH-UHFFFAOYSA-N	170.237	1.002	50	20	ADGD	
CN(NC(=O)[C@@H]1[C@H]2CCC[C@H]21)C1CC1	819648860	VHGGRMLAFIKJDO-MYJAWHEDSA-N	194.278	1.158	50	20	ADGD	
CC(C)C(=O)NN=C1C[C@@H](C)O[C@@H]1C	834928709	XLMNUFJSXQGIKT-HTQZYQBOSA-N	198.266	1.312	50	20	ADGD	
CC(C)C(=O)NNc1ccc(F)cc1	912710051	LMAXNTUNOXEKPQ-UHFFFAOYSA-N	196.225	1.925	50	20	ADGD	
C[C@@H](CBr)C1OCCO1	34286295	RBNQWGSPSKUMEJ-YFKPBYRVSA-N	195.056	1.390	50	20	ADGD	
CC[C@H](NC(=O)NN)C1CCCCC1	52344565	YNRHQHILSKVOHZ-VIFPVBQESA-N	199.298	1.518	50	20	ADGD	
CCOC(=O)c1ncccc1CCl	95757518	NMKVGHRJQNAOBS-UHFFFAOYSA-N	199.637	1.997	50	20	ADGD	
Cc1ncsc1C=C(C#N)C#N	306390343	YHZSKQNXZJMXRP-UHFFFAOYSA-N	175.216	1.882	50	20	ADGD	
CCSCCN1CC=C(C#N)CC1	308262212	NFMRAZMBSJPFKG-UHFFFAOYSA-N	196.319	1.895	50	20	ADGD	
CNC(=O)NN=C1CCC[C@H]2C[C@@H]12	378790195	NCWABKRQBIGAPU-NKWVEPMBSA-N	181.239	1.091	50	20	ADGD	
CC[C@@H]1[C@H](Cl)[C@H]1C=O	536955007	NEXJDLJGGUKVGO-ZLUOBGJFSA-N	132.590	1.449	50	20	ADGD	
CCOC(=O)/C(C#N)=C/NC1CCC1	730511917	CQMMHMNWFIIANB-BQYQJAHWSA-N	194.234	1.099	50	20	ADGD	
CCOC(=O)NN=C[C@H](C)CCC#N	765991585	CBSCPSBHUQFWEY-MRVPVSSYSA-N	197.238	1.658	50	20	ADGD	
C[C@@H]1C[C@@H](NC=C(C#N)C#N)CS1	840730747	TXWINOITNGJQLT-VXNVDRBHSA-N	193.275	1.401	50	20	ADGD	
Cl[C@H]1C[C@@H]2CC[C@H](C1)N2	101153322	JAAQCSBOELNTHH-POBXSPIYSA-N	145.633	1.508	50	20	ADGD	
CC(C)CC(=O)NN=Cc1ccco1	916342488	AXHOVAFOPAOHSY-UHFFFAOYSA-N	194.234	1.776	50	20	ADGD	
O=C(Cl)/C=C/CCl	104688189	KBQPIDSATRHKJR-OWOJBTEDSA-N	138.981	1.547	50	20	ADGD	
CC(=NNC(N)=O)c1cccs1	252448369	VYCCHDWALWBGJU-UHFFFAOYSA-N	183.236	1.140	50	20	ADGD	
CCC(C)=NN(C)C(=O)OC	307876376	OCZFSYWQUCNJSE-UHFFFAOYSA-N	158.201	1.471	50	20	ADGD	
CC[C@H](Cl)C(=O)N1CC[C@@H](F)C1	409424701	XMTGIIICQSDVSC-RQJHMYQMSA-N	193.649	1.574	50	20	ADGD	
CC1(C)C(=NNC(=O)O)[C@@H]2CCO[C@@H]21	736726978	BKUQCBFFAJZVON-FSPLSTOPSA-N	198.222	1.055	50	20	ADGD	
CCc1cccc(C=NNC(C)=O)c1	844564852	IJMOIRWLZYXJOV-UHFFFAOYSA-N	190.246	1.719	50	20	ADGD	
O=[S@](Cl)C1CCOCC1	307054457	XHTVKBXYMPBHCS-VIFPVBQESA-N	168.645	1.068	50	20	ADGD	
C[C@H](N(C)C(=O)CCl)C1(C)CC1	308067467	ZIGZTSQFWKABFR-ZETCQYMHSA-N	189.686	1.872	50	20	ADGD	
O=C(NN=CC1CC1)c1ccccc1	755465753	OYRMYEMMWWMVOB-UHFFFAOYSA-N	188.230	1.812	50	20	ADGD	
C[C@@H]1CC[C@H](C=NNC(=O)N(C)C)C1	800811255	NOWXFGWQYRBGDU-BDAKNGLRSA-N	197.282	1.680	50	20	ADGD	
CC(C)CC(=O)NN=C[C@H]1CCOC1	812433904	VSADFGHXFWZOTE-SECBINFHSA-N	198.266	1.171	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)OC	307994834	VTZFATUJKMNYHT-LURJTMIESA-N	170.212	1.518	50	20	ADGD	
CC(=O)NN=C(C)c1ccc(C)s1	308170846	ZNCNRHQXEAFIBK-UHFFFAOYSA-N	196.275	1.917	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CC[C@@H](C)C1	379383218	KHZMAJRWNNFEJC-HTQZYQBOSA-N	183.255	1.337	50	20	ADGD	
C/C=C\C(=O)NNc1ccnc(F)c1	781363603	HZMWYIPFOJQVPP-IHWYPQMZSA-N	195.197	1.240	50	20	ADGD	
CC[C@H](C)CC=NNC(=O)N(C)C	834947652	HVFFSSQYEXARAS-QMMMGPOBSA-N	185.271	1.680	50	20	ADGD	
CC(C)c1cccc(NC(=O)NN)c1	36948266	CMZHUVRCFGYPFS-UHFFFAOYSA-N	193.250	1.805	50	20	ADGD	
N#CSc1csc(N)n1	200772352	JTNVLTHFBKGZID-UHFFFAOYSA-N	157.223	1.298	50	20	ADGD	
Cn1cccc1CNC=C(C#N)C#N	743248128	YQZCQHPCOAJEHI-UHFFFAOYSA-N	186.218	1.046	50	20	ADGD	
Cc1ccccc1C1(C(=O)NN)CC1	259046676	UOHOMEVISKLDHA-UHFFFAOYSA-N	190.246	1.017	50	20	ADGD	
C[C@H]1COCCN(C(=O)Cl)C1	306963211	HMHLEBKWHNFUHJ-ZCFIWIBFSA-N	177.631	1.314	50	20	ADGD	
COC(=O)NN=CC(C)(C)C	381873133	YZXKCUYPACDWSF-UHFFFAOYSA-N	158.201	1.374	50	20	ADGD	
C/C=C/C(=O)N(C)CC(Cl)Cl	848080519	LANSDOPXRFOBKF-ONEGZZNKSA-N	196.077	1.825	50	20	ADGD	
CCC(=O)NN=C1CCC[C@H]1F	872327768	JVYLEAWQGTVFPW-ZCFIWIBFSA-N	172.203	1.391	50	20	ADGD	
C[C@@H]1COCCN1C(=O)Cl	86889786	KLCHZXMCDPMBHW-RXMQYKEDSA-N	163.604	1.066	50	20	ADGD	
CCOC(=O)NN=Cc1ccc[nH]1	263607168	RQTSHPQKDCNOOE-UHFFFAOYSA-N	181.195	1.095	50	20	ADGD	
CC(C)(C)CC=NNC(N)=O	379242015	XNJDJVCSOMKBBO-UHFFFAOYSA-N	157.217	1.077	50	20	ADGD	
CC(=NNC(N)=O)[C@@H]1CCCC[C@@H]1C	379415687	YFJUQOYKHUHKAL-IONNQARKSA-N	197.282	1.857	50	20	ADGD	
C=CC[C@@H](C)C(C)=NNC(=O)NCC	727778558	MIAUIEMXVLIPCW-MRVPVSSYSA-N	197.282	1.894	50	20	ADGD	
C#CC(=O)NNc1ccc(F)cc1F	754084960	PPMUSNGOFMLQMX-UHFFFAOYSA-N	196.156	1.041	50	20	ADGD	
CC#CC(=O)NNc1ccc(F)cc1	764118456	ZQXMMMJTFUUPLB-UHFFFAOYSA-N	192.193	1.292	50	20	ADGD	
O=C(CCl)N1CC[C@@H]2CCC[C@H]21	307015975	UMLGEFXPDXCWMQ-JGVFFNPUSA-N	187.670	1.626	50	20	ADGD	
CC(=NNC(=O)O)c1cscn1	833384136	DDBSNHSLKPOYGT-UHFFFAOYSA-N	185.208	1.135	50	20	ADGD	
COC(=O)NN=C1CCCC1	492065	PKAJSILBTDHGRK-UHFFFAOYSA-N	156.185	1.272	50	20	ADGD	
CC(C)(C)c1ccccc1C(=O)NN	80264291	WHRHBGIWRPVMNT-UHFFFAOYSA-N	192.262	1.588	50	20	ADGD	
Cc1nn(C)c(C)c1/C=C/C=O	86207928	IVBUQPIMXIGKHD-SNAWJCMRSA-N	164.208	1.249	50	20	ADGD	
C[C@H]1CCCC(=NNC(N)=O)[C@@H]1C	252474148	ZIRMCSGQIXSNSV-NKWVEPMBSA-N	183.255	1.467	50	20	ADGD	
CCC(=O)NNc1cccnc1Cl	306279285	HJDQHKKXCCKLGG-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
CCNC(=O)NN=C1CC(C)(C)C1	307532834	ZSUKOZCQWSSTAX-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
C[C@@H]1OCCC1=NNC(=O)C1CCC1	747750381	SETUUIDADFCOAP-ZETCQYMHSA-N	196.250	1.068	50	20	ADGD	
N#CC1=CCN(Cc2cc[nH]n2)CC1	851884626	SWYNHHDIMUWTOJ-UHFFFAOYSA-N	188.234	1.065	50	20	ADGD	
CCC[C@@H](C#N)NC(=O)CCl	307742449	VASYGUZCSZQKLV-LURJTMIESA-N	174.631	1.034	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)C1CCCC1	758373542	YOUSCZUMZDRSPS-SCZZXKLOSA-N	194.278	1.935	50	20	ADGD	
COC(=O)NN=C1CCC[C@@H](C#N)C1	814692602	OUSFSGVGRPWOCC-SSDOTTSWSA-N	195.222	1.412	50	20	ADGD	
C[C@H](NC(=O)NN)[C@@H]1CCC[C@@H](C)C1	841914334	CDQYBLINDLFYBN-HRDYMLBCSA-N	199.298	1.374	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CC12CCC2	871598621	VXKXEIAICGJUAT-VIFPVBQESA-N	173.219	1.450	50	20	ADGD	
CCC(=O)NN=C1CC[C@@H]2C[C@H]12	872327834	LMOXERSRRFQDBX-RQJHMYQMSA-N	166.224	1.299	50	20	ADGD	
CN(C)c1ncccc1C=C(C#N)C#N	1258509119	QQMDXAQPMZEWHJ-UHFFFAOYSA-N	198.229	1.578	50	20	ADGD	
CCCC=NNC(=O)C1CCOCC1	1331994510	OUVARYLOKAZRSV-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCCNC(=O)NN=C(C)C(C)C	308327141	GCVBNADVMNMVHX-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
O=C(NN=CCCC1CC1)C1CC1	308418095	RKVMAOXCAWQMDY-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
Cc1cc(=NC=C(C#N)C#N)c(C)c[nH]1	746522229	MGHIADVBDPNWNI-UHFFFAOYSA-N	198.229	1.463	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CCCOCC1	776256743	FYQFEFAYDDWWKX-JTQLQIEISA-N	191.234	1.076	50	20	ADGD	
CCOC(=O)/C(C#N)=C\C1CC1	82090122	OVKQBPBQZZMVBY-YVMONPNESA-N	165.192	1.409	50	20	ADGD	
CCc1ccc(CCC(=O)NN)cc1	37388192	DPIKMMKIIAYKPB-UHFFFAOYSA-N	192.262	1.172	50	20	ADGD	
CC(=O)NN=Cc1ccsc1C	255970241	DTXVYKHHRRWYOY-UHFFFAOYSA-N	182.248	1.527	50	20	ADGD	
O=CC1(CCCCl)CC1	306382062	WXCUSJXJBSUNGD-UHFFFAOYSA-N	146.617	1.985	50	20	ADGD	
CCNC(=O)NN=C(C)C(F)(F)F	308464253	IPAOWYXIGIKXDP-UHFFFAOYSA-N	197.160	1.244	50	20	ADGD	
Cc1cn(C/C=C/C#N)c(C)n1	865361111	MXFKOEAWOYKJEI-ONEGZZNKSA-N	161.208	1.580	50	20	ADGD	
CC[C@@H]1CCCC[C@H]1C(=O)N(C)N	1573714125	YTGUDTDYGSSQSF-RKDXNWHRSA-N	184.283	1.535	50	20	ADGD	
O=C(CCl)Cc1ccncc1	40443018	YPAHQCLAKNJEQC-UHFFFAOYSA-N	169.611	1.432	50	20	ADGD	
COC[C@@H](C)CCCl	69906174	BFZMSZJGALWRIF-LURJTMIESA-N	136.622	1.898	50	20	ADGD	
CC[C@H](CCl)COC	84349239	QHYMSCGEEPMOIO-ZCFIWIBFSA-N	136.622	1.898	50	20	ADGD	
N#CC[C@@H](F)CBr	238711939	SWNCJGZKBONOFW-SCSAIBSYSA-N	165.993	1.633	50	20	ADGD	
CC(C)=NNC(=O)CC(F)(F)F	306947361	PHISCFIWEXNUFQ-UHFFFAOYSA-N	182.145	1.451	50	20	ADGD	
COC(C)(C)CCNC(=O)CCl	711882452	BMINGXYECFXQTO-UHFFFAOYSA-N	193.674	1.157	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1CCO[C@H]1C	747752848	FTQOAEFOTHUGAT-YUMQZZPRSA-N	198.266	1.314	50	20	ADGD	
CC(C)C(=O)N1CC=C(C#N)CC1	306508964	IXFBMHDEVKTGFL-UHFFFAOYSA-N	178.235	1.325	50	20	ADGD	
O=Cc1cnc(Cl)n1CCCl	521401937	SETZALYZECFVOH-UHFFFAOYSA-N	193.033	1.588	50	20	ADGD	
CCC(=O)NN=Cc1ccc(O)cc1	915915957	ZSQQEJKKUBYVGS-UHFFFAOYSA-N	192.218	1.252	50	20	ADGD	
C[C@H]1CC[C@@H](NC(=O)CCl)C1	128622460	KXYPULDXVDGXJG-NKWVEPMBSA-N	175.659	1.530	50	20	ADGD	
C[C@H]1CCC(=NNC(N)=O)[C@H](C)C1	252473766	XCFJKZPTBRVFMI-NKWVEPMBSA-N	183.255	1.467	50	20	ADGD	
CCOCC(C)(C)NC(=O)CCl	382211557	WLSHSBOJXJTIMC-UHFFFAOYSA-N	193.674	1.157	50	20	ADGD	
CN(C)C(=O)NN=C[C@H]1CC=CCC1	745612915	FQSDOJJZBPUOMW-VIFPVBQESA-N	195.266	1.600	50	20	ADGD	
CC(C)(C)CC(=NNC(N)=O)C1CC1	787146451	YMICEKQQDKIPKD-UHFFFAOYSA-N	197.282	1.857	50	20	ADGD	
CC(C)NC(=O)NN=C1CC[C@H](C)C1	814820329	YMZMMEITEZSVSK-QMMMGPOBSA-N	197.282	1.870	50	20	ADGD	
C[C@H]1[C@H](C)CCCN1C(=O)CCl	50564694	JDCCHAJLWPCGMH-SFYZADRCSA-N	189.686	1.872	50	20	ADGD	
CC/C=C\CNS(=O)(=O)CCl	384729463	JDTQUPYGGYEDAC-ARJAWSKDSA-N	197.687	1.068	50	20	ADGD	
CCC(=O)NN=C1CCC1(C)C	388516367	UNVUBSIGQKZKEU-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
CNNC(=O)Nc1ccc(Cl)cc1	606272001	AVUSIYRPKZZZOA-UHFFFAOYSA-N	199.641	1.596	50	20	ADGD	
CCCNC(=O)NN=C1CC[C@H]1CC	807965542	BVXNZGZZUVPRFP-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
C[C@@H]1CCC(=NNC(=O)C(C)(C)O)C1	814908726	FJALEABCXXRQPM-SSDOTTSWSA-N	198.266	1.050	50	20	ADGD	
C[C@@H]1SCC[C@@H]1NC=C(C#N)C#N	843264390	OLKFBCXSHWHZDU-CBAPKCEASA-N	193.275	1.401	50	20	ADGD	
N#C/C=C\Cn1ccnc1C1CC1	863386092	MOBYRVDLBAHZTC-UPHRSURJSA-N	173.219	1.840	50	20	ADGD	
CC(=O)NN=C1CCC[C@H]1F	872325700	COOCVXGFXUMUBV-ZCFIWIBFSA-N	158.176	1.001	50	20	ADGD	
CC(C)[C@@H](Cl)C=O	34621555	SCHRUBOQSCAFFP-YFKPBYRVSA-N	120.579	1.449	50	20	ADGD	
C[C@H](Cl)[S@](=O)Cl	196534091	QTHCWFBWPNLYHS-IPSUSAMASA-N	147.026	1.474	50	20	ADGD	
Cn1ccc(CCCCl)n1	211934070	SSUCIYJKTLRITD-UHFFFAOYSA-N	158.632	1.592	50	20	ADGD	
CN(C)C(=O)NN=C1CC(C)(C)C1	307231336	LFOHNNBDDHPPQX-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
CC(C)CC(=O)N1CC=C(C#N)CC1	767158209	SWRGNOLXRWEYHY-UHFFFAOYSA-N	192.262	1.715	50	20	ADGD	
CCC(=NNC(C)=O)c1ccsc1	834919164	OWDGKSUDESWHBH-UHFFFAOYSA-N	196.275	1.998	50	20	ADGD	
CN1CC[C@H](CN(C)C(=O)Cl)C1	86894332	UMZPQCBWLBBLHE-ZETCQYMHSA-N	190.674	1.229	50	20	ADGD	
CC1CC(CNC=C(C#N)C#N)C1	856720574	NCSMOOYOFLSVGA-UHFFFAOYSA-N	175.235	1.553	50	20	ADGD	
CCC(=O)NNc1ccc(C#N)cc1	39128729	ZSURUCJEENPPFJ-UHFFFAOYSA-N	189.218	1.411	50	20	ADGD	
CC(=O)NN=C1CCS[C@@H]1C	393485925	KXXJGACUWISHFH-RXMQYKEDSA-N	172.253	1.004	50	20	ADGD	
CC1(CNC(=O)CCl)CC1	218368761	OKDCTJQGDHXNCK-UHFFFAOYSA-N	161.632	1.142	50	20	ADGD	
CCC(CC)=NN(C)C(=O)OC	308056535	UTXCIRYOCOWCFZ-UHFFFAOYSA-N	172.228	1.861	50	20	ADGD	
O=C(CCl)NC[C@@H]1C=CCC1	711671160	XYTGWULMMWTMAN-SSDOTTSWSA-N	173.643	1.308	50	20	ADGD	
C[C@H]1CC(=NN(C)C(N)=O)CC[C@H]1C	767385305	HJPXKLVTSDRIKU-SFYZADRCSA-N	197.282	1.809	50	20	ADGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NN	841785423	CPFJLLRNQJUREP-DTWKUNHWSA-N	199.298	1.518	50	20	ADGD	
CCOC(=O)NN=C[C@@H](C)CC	307973431	ITQGLAMTRMWLNO-ZETCQYMHSA-N	172.228	1.764	50	20	ADGD	
COC(=O)N(C)N=C[C@H]1C[C@H]1C	379338582	LCZLEVPZWPLPLG-RNFRBKRXSA-N	170.212	1.326	50	20	ADGD	
CC(C)(C)C=NNC(=O)O	833422934	QDVVYDOJFFWQAV-UHFFFAOYSA-N	144.174	1.286	50	20	ADGD	
CC[C@@H](C)C(=O)NN=Cc1ccco1	915976965	MUBBECADUYPLSL-MRVPVSSYSA-N	194.234	1.776	50	20	ADGD	
COC(C)(C)C(=O)Cl	147443235	YWGZRNXPDONHEM-UHFFFAOYSA-N	136.578	1.177	50	20	ADGD	
O=[N+]([O-])c1ccc(CCCl)nc1	198735701	QDUINDMQNUDOHC-UHFFFAOYSA-N	186.598	1.771	50	20	ADGD	
CCOCC(=O)NN=C(CC)CC	379367419	UXSJODXNPWDULV-UHFFFAOYSA-N	186.255	1.315	50	20	ADGD	
CC(C)CC(=O)NN=C[C@@H]1C[C@@H]1C	379412085	JKWPNIVYHLZKSX-IUCAKERBSA-N	182.267	1.791	50	20	ADGD	
CCCC(=O)NNc1cc(C)ncn1	734253701	WZEGOOUQFCCIHG-UHFFFAOYSA-N	194.238	1.028	50	20	ADGD	
C[C@H]1CCC(=NN(C)C(N)=O)C[C@@H]1C	767385306	HJPXKLVTSDRIKU-YUMQZZPRSA-N	197.282	1.809	50	20	ADGD	
CC(C)[C@H]1CCCC1=NN(C)C(N)=O	767903797	JEYFTMUIRXPRPZ-MRVPVSSYSA-N	197.282	1.809	50	20	ADGD	
C[C@H]1CCCC(=NNC(N)=O)C1	252447932	QNMXLUDDFKFNMU-LURJTMIESA-N	169.228	1.221	50	20	ADGD	
CC[C@@](C)(C=O)CCl	306390897	XYVAUTOUTQWXEY-ZCFIWIBFSA-N	134.606	1.840	50	20	ADGD	
C#CC1(OC(=O)Cl)CCOCC1	716354496	BFRXSHQVSYXUQX-UHFFFAOYSA-N	188.610	1.544	50	20	ADGD	
CC(C)CCC(=O)NN(C)C1CC1	819640942	HSHARHZKDZIZIA-UHFFFAOYSA-N	184.283	1.548	50	20	ADGD	
CC(=NNC(=O)O)c1cnc(C)s1	833384093	BFPLGDQUSDWHPX-UHFFFAOYSA-N	199.235	1.443	50	20	ADGD	
CC[C@H](C)C=NNC(=O)c1cn[nH]c1	863155138	YRDNHRANWYMJOB-ZETCQYMHSA-N	194.238	1.171	50	20	ADGD	
CC[C@@H](CC(=O)NN)c1ccccc1	825644843	IATBSKDFMIEBSQ-VIFPVBQESA-N	192.262	1.560	50	20	ADGD	
C/C(C#N)=C\CS[C@@H](C)C(=O)O	1603129276	CUUSPQCFFLIPLC-ZAXDUSRUSA-N	185.248	1.663	50	20	ADGD	
CC(C)CCC[C@H](C)NC(=O)NN	42595750	ZORGNRWBDYKWNE-QMMMGPOBSA-N	187.287	1.374	50	20	ADGD	
CC(C)(C)C(=O)NN=CC1CC1	379319702	RWMNKFLQVYEBIB-UHFFFAOYSA-N	168.240	1.545	50	20	ADGD	
CCC(=NNC(C)=O)[C@H]1C[C@@H]1C	841605088	XABGLDYSYBLFMH-XPUUQOCRSA-N	168.240	1.545	50	20	ADGD	
CC(=O)NN=Cc1cc(F)ccc1F	915936641	YAYLPEYXNONDDQ-UHFFFAOYSA-N	198.172	1.435	50	20	ADGD	
C[C@H](CCl)Cc1cn(C)nn1	235453265	GZCDHXQQIUISQL-LURJTMIESA-N	173.647	1.233	50	20	ADGD	
CCC(C)(C)NC=C(C#N)C#N	306417193	SRRYIPMABGOVPS-UHFFFAOYSA-N	163.224	1.696	50	20	ADGD	
O=[S@@](Cl)C1CCOCC1	307054456	XHTVKBXYMPBHCS-SECBINFHSA-N	168.645	1.068	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)C(F)F	379314787	PQGQJVSOTKWNCL-UHNVWZDZSA-N	176.166	1.010	50	20	ADGD	
C[C@H](CN=C=O)c1ccon1	716321658	ZWJOQYKQIMATSH-ZCFIWIBFSA-N	152.153	1.114	50	20	ADGD	
C[C@H]1C[C@@H]1C(=O)NNc1ccccc1	769606900	VTVPHANYYHXMLN-WPRPVWTQSA-N	190.246	1.786	50	20	ADGD	
C[C@H]1CCCC1=NNC(=O)C(C)(C)O	785466305	QQXLKKUBXSEFBY-ZETCQYMHSA-N	198.266	1.050	50	20	ADGD	
C#CCCCCC(=O)NN(C)C1CC1	819650548	QVIQRRBQHCIEQX-UHFFFAOYSA-N	194.278	1.305	50	20	ADGD	
N#CC(C#N)=Cc1c[nH]c(C(=O)O)c1	833063229	HGELSOIRBCAMAW-UHFFFAOYSA-N	187.158	1.143	50	20	ADGD	
CCc1ccc(NC(=O)CCl)nc1	1331234701	RTEXUAQSQGBWJI-UHFFFAOYSA-N	198.653	1.821	50	20	ADGD	
CCC[C@H](CC)NC(=O)CCl	50402932	PBSDIPKWNKLRHZ-ZETCQYMHSA-N	177.675	1.920	50	20	ADGD	
CCC(=NNC(N)=O)c1cccs1	252448197	TVWKCQKOQYGSGU-UHFFFAOYSA-N	197.263	1.531	50	20	ADGD	
CC(=O)NN=Cc1ccccc1F	252641570	ZFBSWDHVEORHFN-UHFFFAOYSA-N	180.182	1.296	50	20	ADGD	
CN(C(=O)CCl)C1(C#N)CCC1	307024244	VYDDYSIKZVSEDE-UHFFFAOYSA-N	186.642	1.130	50	20	ADGD	
CC(=O)NN=C(C)c1ccoc1	307968729	VJPVLSXCMBCDLG-UHFFFAOYSA-N	166.180	1.140	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)C(F)F	308400701	GZEMQMAHWJSDBT-RXMQYKEDSA-N	190.193	1.544	50	20	ADGD	
CC[C@H](F)C(=O)NNc1ccccn1	1335856698	DWVYIGXSNRKUGJ-ZETCQYMHSA-N	197.213	1.273	50	20	ADGD	
C[C@H]1CC(=NNC(=O)C2CC2)CCO1	773185386	AUGICWOJHJKVNI-ZETCQYMHSA-N	196.250	1.068	50	20	ADGD	
C[C@H]1OCC[C@]1(C)NC=C(C#N)C#N	783690051	ZXIDECRAJMNYNS-SCZZXKLOSA-N	191.234	1.075	50	20	ADGD	
CCC(=NNC(C)=O)[C@@H]1C[C@H]1C	841605084	XABGLDYSYBLFMH-HTRCEHHLSA-N	168.240	1.545	50	20	ADGD	
COC(=O)NN=CC1(C)CC1	307920296	JNTAIRXOLRSYIV-UHFFFAOYSA-N	156.185	1.128	50	20	ADGD	
C[C@H]1CCC(=NN(C)C(N)=O)C1	378871327	OJDOVTVOGBBJGZ-LURJTMIESA-N	169.228	1.173	50	20	ADGD	
COCCC(C)(C)NC(=O)CCl	379330876	YQKSREWHWKTBTG-UHFFFAOYSA-N	193.674	1.157	50	20	ADGD	
C[C@H]1C[C@@H]1C(=O)NNc1ccccn1	769618833	BBTQPFIKWPKMMI-YUMQZZPRSA-N	191.234	1.181	50	20	ADGD	
C=CCN(C)C(=O)/C(C#N)=C/OCC	779126300	XFFHZECVLDBWHS-CMDGGOBGSA-N	194.234	1.075	50	20	ADGD	
O=C/C=C/c1c[nH]c2ncccc12	83141703	RDMTVCWAVRTNEQ-NSCUHMNNSA-N	172.187	1.775	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)N(C)C	307959128	UMIURWIMLMFBHB-SSDOTTSWSA-N	171.244	1.290	50	20	ADGD	
CCNC(=O)N(C)N=C[C@@H]1C[C@@H]1C	308435264	WBDKYPHSHIYBBD-YUMQZZPRSA-N	183.255	1.290	50	20	ADGD	
CC[C@H](C)C=NNC(=O)CC1CC1	378865927	ALYYXMUCJPZZPN-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
CO[C@@H](CNC(=O)CCl)C(C)C	379334352	ODJCUDQGLVZDBP-ZETCQYMHSA-N	193.674	1.012	50	20	ADGD	
COC[C@@H](C)C(C)=NNC(=O)OC	379416290	RLECKLNYRSLNOR-ZCFIWIBFSA-N	188.227	1.001	50	20	ADGD	
CC(CC1CC1)=NNC(=O)N(C)C	388648605	QYTYVNATJJQVCG-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
OB(O)[C@@H]1CCc2ccccc2C1	536952346	BYGRYMGPYSKDKR-SNVBAGLBSA-N	176.024	1.018	50	20	ADGD	
CC(=O)NN=Cc1cc(F)ccc1O	755468125	QNRXRWNKYKYFMF-UHFFFAOYSA-N	196.181	1.001	50	20	ADGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(N)=O	773180344	PGYUAFLTIFZWJC-IUCAKERBSA-N	195.266	1.633	50	20	ADGD	
CC(C)=CCCC(C)=NNC(=O)CO	776776133	FSDIFSRBWJWADO-UHFFFAOYSA-N	198.266	1.217	50	20	ADGD	
COc1cccc([C@@H](N)CCl)c1	259449341	QIMKGKFADCSNGQ-VIFPVBQESA-N	185.654	1.934	50	20	ADGD	
CC[C@H](C#N)[S@](=O)Cl	307081127	SPBNMIIXIXRPSH-VHWMUFPASA-N	151.618	1.191	50	20	ADGD	
CC[C@@H](C)NC=C(C#N)C#N	307744323	OJNXGZAQDUFDRX-SSDOTTSWSA-N	149.197	1.306	50	20	ADGD	
COCC(=O)NN=C1CCC[C@H](C)C1	761821642	KUHFSTMCIQHFQW-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
BrC[C@H]1C[N@@]1CC1CC1	1857775809	APIRZHDGBPSPDT-IONNQARKSA-N	190.084	1.476	50	20	ADGD	
Cc1ccc(C=NN(C)C(N)=O)cc1	308272691	FCSYZBLLGZUAIJ-UHFFFAOYSA-N	191.234	1.339	50	20	ADGD	
N#CC1=CCN(C(=O)CC2CC2)CC1	780686508	AWLDVZYSWPAGKY-UHFFFAOYSA-N	190.246	1.469	50	20	ADGD	
CCC1(C(=O)NN(C)C2CC2)CCC1	819648937	YABMWUWUMKPDBM-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NN)C1	841789771	QUEQTDMEZFUREW-BDAKNGLRSA-N	199.298	1.374	50	20	ADGD	
Cn1ncnc1CC(C)(C)CCl	85042861	YKQISQMPYODXTL-UHFFFAOYSA-N	187.674	1.623	50	20	ADGD	
COCC(=O)NN=C1CCC(C)(C)C1	783854092	KQDFFKGLWCUGAJ-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C/C=C/C(=O)NN[C@@H](C)C(F)(F)F	862302827	CFPRGHZAPFJELO-BHYDHMSTSA-N	196.172	1.134	50	20	ADGD	
COC[C@]1(CCl)CCO[C@@H]1C	126163610	OCTAGUWIFKDRCN-HTQZYQBOSA-N	178.659	1.667	50	20	ADGD	
CC(=NNC(=O)O)c1cnccc1C	833384641	LCNRUWCXOOCBSA-UHFFFAOYSA-N	193.206	1.382	50	20	ADGD	
CC(C)C=NNC(=O)[C@H]1CCO[C@@H]1C	842550878	AWYNSVPIXKPWKZ-BDAKNGLRSA-N	198.266	1.169	50	20	ADGD	
CCC(=O)NN=C/C=C/c1ccco1	920362226	QVTJOYOXIAQRJE-PEEBVGQFSA-N	192.218	1.805	50	20	ADGD	
O=C(Cl)c1cnn2c1OCCC2	90396954	QFJSKSQKIACHTC-UHFFFAOYSA-N	186.598	1.045	50	20	ADGD	
Cc1conc1CCl	167972299	LXJNURAYHIDCLC-UHFFFAOYSA-N	131.562	1.722	50	20	ADGD	
CNC(=O)NN=C[C@H](C)C(C)(C)C	379401647	LDXKANIIPLEPEU-ZETCQYMHSA-N	185.271	1.583	50	20	ADGD	
CC[C@H](C)C=NNC(=O)OC	388134661	WPQZWNXBQRLNQM-LURJTMIESA-N	158.201	1.374	50	20	ADGD	
CCC(C=NN(C)C(N)=O)CC	388382337	SCGLRGFMTGHYHT-UHFFFAOYSA-N	171.244	1.419	50	20	ADGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)O	606264248	ZWZGTBXJBUHEQP-XVNBXDOJSA-N	191.190	1.018	50	20	ADGD	
COCC(=O)NNc1ccccc1C	873955825	NWNYIBDQZVGIQV-UHFFFAOYSA-N	194.234	1.085	50	20	ADGD	
Cc1nc(Cl)nn1C/C=C\C#N	918584063	RKLQAYDOYZPFCC-IHWYPQMZSA-N	182.614	1.320	50	20	ADGD	
O=C=Nc1ccc2nccnc2c1	61415399	ZJMASMIWOLDCKQ-UHFFFAOYSA-N	171.159	1.597	50	20	ADGD	
O=C(OCCBr)C1CC1	197531270	IRGLYXLMMVZWCV-UHFFFAOYSA-N	193.040	1.335	50	20	ADGD	
C#C[C@@H](CCC)NC=C(C#N)C#N	306573211	PZRHGZZMLBZACU-JTQLQIEISA-N	173.219	1.309	50	20	ADGD	
CC(C)(C)C(=O)NN=Cc1cc[nH]c1	745196533	LUFJTPJSRIFOER-UHFFFAOYSA-N	193.250	1.511	50	20	ADGD	
CC(C)CC(=O)NN=C1CCO[C@@H]1C	747740596	GTRFLZUXVOPNGZ-MRVPVSSYSA-N	198.266	1.314	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)c1ccc[nH]1	758374375	RXMYXEHUUZTJOG-YUMQZZPRSA-N	191.234	1.386	50	20	ADGD	
CC#CC(=O)NNc1ccccc1F	801176958	ZMYLRGXNQYSTTQ-UHFFFAOYSA-N	192.193	1.292	50	20	ADGD	
CCCc1ccc(NC(=O)NN)cc1	37287595	QXQMOSBNOVUQEZ-UHFFFAOYSA-N	193.250	1.634	50	20	ADGD	
C[C@@H]1CCC[C@@H]1NC(=O)CCl	70832177	ZQWZPGYACAKZNF-RQJHMYQMSA-N	175.659	1.530	50	20	ADGD	
C=CCCC(=NN(C)C(N)=O)C1CC1	767909737	UAVYHSKWIDBCID-UHFFFAOYSA-N	195.266	1.729	50	20	ADGD	
Cc1occc1CNC(=O)CCl	306962367	KGCULWRKDLCFSB-UHFFFAOYSA-N	187.626	1.443	50	20	ADGD	
CN(CCCF)C(=O)CCl	716738685	YPMPTCZZLIAZJP-UHFFFAOYSA-N	167.611	1.043	50	20	ADGD	
CCC(=NNC(C)=O)[C@H]1CC1(C)C	841604911	UZKRDMWKTNNLNE-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
C[C@H]1CCC(=NNC(N)=O)C[C@H]1C	252472985	RTVIYBKONXZKSR-NKWVEPMBSA-N	183.255	1.467	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CC=CCC1	306183631	ZTNGJFSNJPOBLP-SNVBAGLBSA-N	173.219	1.616	50	20	ADGD	
O=[S@@](Cl)CC1CC1	306784968	NBFNMGSIVUAWRA-SSDOTTSWSA-N	138.619	1.299	50	20	ADGD	
COCC(CC(C)C)=NNC(=O)O	737747854	PAGYEHUVBPVHPN-UHFFFAOYSA-N	188.227	1.303	50	20	ADGD	
CC(C)C(=O)NN=C1CCOC[C@@H]1C	794475804	CPTYFLANCQKOAM-QMMMGPOBSA-N	198.266	1.171	50	20	ADGD	
CC[C@H](Cl)C(=O)N(CC)CC	50984148	GPRZILMALURRQG-ZETCQYMHSA-N	177.675	1.872	50	20	ADGD	
COc1cc(CCl)cc(OC)n1	95763876	BVBGSZHCQLRARO-UHFFFAOYSA-N	187.626	1.838	50	20	ADGD	
CC(=O)NN=C1CC[C@@H](C)C[C@H]1C	308280264	WTIGJGZYQLDQHN-HTQZYQBOSA-N	182.267	1.935	50	20	ADGD	
CC[C@@H](Cc1ccccc1)C(=O)NN	825644991	LMKWKWMSYPNLJC-JTQLQIEISA-N	192.262	1.245	50	20	ADGD	
CC(C)(CF)NC=C(C#N)C#N	306634932	XRIHOEMOIHUFAN-UHFFFAOYSA-N	167.187	1.255	50	20	ADGD	
C=CCCC(=NNC(N)=O)C1CC1	308198599	VUDNTYZVOZYLAF-UHFFFAOYSA-N	181.239	1.387	50	20	ADGD	
C=CCOC(=O)/C(C#N)=C\C1CC1	308330895	KOTNELULQWQRGM-TWGQIWQCSA-N	177.203	1.576	50	20	ADGD	
COC(=O)N(C)N=C(C)CC1CC1	393710758	IZJURBLCIOFZJC-UHFFFAOYSA-N	184.239	1.861	50	20	ADGD	
C[C@H]1C[C@H](NC=C(C#N)C#N)CCO1	769551460	LBYNKVCVTQBILY-WCBMZHEXSA-N	191.234	1.075	50	20	ADGD	
CC1(C)CC(C(=O)NN)CC(C)(C)C1	852771901	DJBVSRRAPGWBMX-UHFFFAOYSA-N	198.310	1.829	50	20	ADGD	
C[C@@H](CC1CCCC1)C(=O)N(C)N	1573541159	RGTUMLAGBJKXCW-QMMMGPOBSA-N	184.283	1.535	50	20	ADGD	
CCc1nc(CBr)c[nH]1	238276248	ZGNQVRCOHGORRF-UHFFFAOYSA-N	189.056	1.867	50	20	ADGD	
COCC[C@@]1(CCl)CCCO1	307742272	UQGXTAUCAUSCSO-MRVPVSSYSA-N	178.659	1.811	50	20	ADGD	
NC(=O)NN=C1CCCC12CCC2	383473419	FWOJWNAFDMOJHX-UHFFFAOYSA-N	181.239	1.365	50	20	ADGD	
O=C(NN=Cc1cnsc1)C1CC1	872327663	JOBHUWWNABVNMR-UHFFFAOYSA-N	195.247	1.003	50	20	ADGD	
Cc1nsc(NC(=O)CCl)n1	41708408	ISAUUNFBWHHQIJ-UHFFFAOYSA-N	191.643	1.024	50	20	ADGD	
CC(C)n1cc(C=C(C#N)C#N)cn1	306203830	NARBWBLESVMVLY-UHFFFAOYSA-N	186.218	1.895	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(=O)NC	379371805	IKOAWIZIPWPOGZ-SSDOTTSWSA-N	183.255	1.482	50	20	ADGD	
CC[C@H](CSC)NC=C(C#N)C#N	379383341	KSDMABRWOWBAQG-SECBINFHSA-N	195.291	1.649	50	20	ADGD	
CC(=O)NN=Cc1cc(C)n(C)c1C	754895320	MVGGVRLKWTVGNR-UHFFFAOYSA-N	193.250	1.112	50	20	ADGD	
CC(C)C(=O)NN=C1CCOC1(C)C	814744637	NVYIDKRQNXMNAF-UHFFFAOYSA-N	198.266	1.314	50	20	ADGD	
C/C=C(/CC)C(=O)NN(C)C1CC1	819651520	NSWYSCIDISMOLM-YWEYNIOJSA-N	182.267	1.468	50	20	ADGD	
CNC(=O)NN=Cc1ccc(F)cc1	920379404	VTIVBTWIJTXDNU-UHFFFAOYSA-N	195.197	1.089	50	20	ADGD	
CN(CCCCl)N=O	2037698000	SJURRFXMKBSZAO-UHFFFAOYSA-N	136.582	1.229	50	20	ADGD	
NNC(=O)CC1CCCCCC1	145110205	LDKUXCNOGQGRLZ-UHFFFAOYSA-N	170.256	1.337	50	20	ADGD	
N#C/C(=C/c1ccccc1C#N)C(=O)O	199784197	FZSJXTJYHQPMAJ-YHYXMXQVSA-N	198.181	1.550	50	20	ADGD	
C[C@@H]1CCC(=NNC(=O)C(F)F)C1	378874345	WLAVDGYAMFFLIK-RXMQYKEDSA-N	190.193	1.544	50	20	ADGD	
O=C(CCl)N1CC[C@@H]2CCC[C@@H]21	307015997	UMLGEFXPDXCWMQ-YUMQZZPRSA-N	187.670	1.626	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CCC[C@@H]2C[C@@H]21	840726723	BXFVSBXTMRMWLA-OUAUKWLOSA-N	187.246	1.696	50	20	ADGD	
N[C@H]1CCCC[C@H]1Br	33889684	AQBYKNASJVORLT-RITPCOANSA-N	178.073	1.651	50	20	ADGD	in-vitro
N#CC1=CCN(C/C=C\Cl)CC1	308172452	XHPLGJLGLAFTFB-RJRFIUFISA-N	182.654	1.895	50	20	ADGD	
CCC(CC)(CC)CNC(=O)NN	391328328	JMMDSDNKJCQXBQ-UHFFFAOYSA-N	187.287	1.376	50	20	ADGD	
C[C@H]1C[C@H](NC=C(C#N)C#N)CS1	840730745	TXWINOITNGJQLT-CBAPKCEASA-N	193.275	1.401	50	20	ADGD	
C#CCCCC(=O)NN=C[C@H]1C[C@H]1C	901323926	BCLZJUYTIBPUSH-NXEZZACHSA-N	192.262	1.548	50	20	ADGD	
NNC(=O)CCCC1CCCC1	218079810	IQXHPGGAKPYPSW-UHFFFAOYSA-N	170.256	1.337	50	20	ADGD	
Cc1ccc(C=NNC(N)=O)cc1F	252459578	NNAKRLBWASAJQM-UHFFFAOYSA-N	195.197	1.136	50	20	ADGD	
C[C@H](CNC=C(C#N)C#N)C1CC1	306975007	YUPBNPYRNBPIQD-MRVPVSSYSA-N	175.235	1.553	50	20	ADGD	
COC(=O)/C(C#N)=C/c1cncs1	308141262	LKJDBIBLDQLCQM-QHHAFSJGSA-N	194.215	1.223	50	20	ADGD	
CCC(=O)NN=C[C@H]1CC=CCC1	308252991	CIFJJHOCRUUEKX-VIFPVBQESA-N	180.251	1.855	50	20	ADGD	
CC(C)C[C@@H](C#N)NC(=O)CCl	379289416	HGUOYGREJDWBCK-ZETCQYMHSA-N	188.658	1.280	50	20	ADGD	
CCc1cccc(C)c1NNC(N)=O	799754748	DBSHCOGFWPJLTK-UHFFFAOYSA-N	193.250	1.553	50	20	ADGD	
CC(C)=CC(=O)NN(C)C1CC1	819642933	RTZQNAGJUASCEJ-UHFFFAOYSA-N	168.240	1.078	50	20	ADGD	
CC1(C)CCCC(=NNC(N)=O)C1	252465717	VHFMCHYPPSDIEM-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
O=[S@](Cl)C[C@@H]1CCCO1	306744901	ZBRHUOBNFUMRIE-CDUCUWFYSA-N	168.645	1.068	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CCCSC1	307726072	CNHWACXSYLRDHB-VIFPVBQESA-N	193.275	1.403	50	20	ADGD	
COC(=O)NN=CCCC1CC1	307994809	VSAYVXPNNRLHCZ-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
CC(C)[C@H](O)CN1CC=C(C#N)CC1	814629394	NDHPPDVAXADHAK-LLVKDONJSA-N	194.278	1.159	50	20	ADGD	
CC[C@H](C)[C@H](C)C(=O)NN(C)C1CC1	819650256	WIDPAHDSNOBJSK-IUCAKERBSA-N	198.310	1.794	50	20	ADGD	
CC(=O)NN=Cc1cccc(C#N)c1	839384252	WJRFPIIEFDXMSJ-UHFFFAOYSA-N	187.202	1.028	50	20	ADGD	
CCC(C=NNC(=O)NC)CC	307974636	JTCNTONJWUQBRA-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
O=C(CCl)N(CC(F)F)C1CC1	308084229	MGRJXJNZTQMTGF-UHFFFAOYSA-N	197.612	1.481	50	20	ADGD	
C[C@@H]1C[C@H]1C(=O)N1CC=C(C#N)CC1	767159447	DAUJBNOXCVHZHS-PSASIEDQSA-N	190.246	1.325	50	20	ADGD	
N#CSCCCNC(=O)CC1CC1	816538340	NWSSRDTUYFGONQ-UHFFFAOYSA-N	198.291	1.507	50	20	ADGD	
C/C(C#N)=C/CS[C@@H](C)C(=O)O	1603129274	CUUSPQCFFLIPLC-NFNQMPKISA-N	185.248	1.663	50	20	ADGD	
CC(C)C[C@H](CN)[C@H](Cl)C(=O)O	2048531842	IILCRAGSRBCOQJ-RQJHMYQMSA-N	193.674	1.299	50	20	ADGD	
N#CC(C#N)=CNCCC1CC1	306428289	KGPFGQXMMASSRE-UHFFFAOYSA-N	161.208	1.307	50	20	ADGD	
CCCCCC(C)=NN(C)C(N)=O	308376603	SOXYJSPHDRXGCQ-UHFFFAOYSA-N	185.271	1.953	50	20	ADGD	
CC[C@@H]1CCCC(=NNC(=O)NC)C1	734979213	DMFOKMJXRFXQSO-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
C[C@H]1CC(=NN(C)C(N)=O)C[C@H](C)C1	767909492	PSOBHQMPPRKGHH-HTQZYQBOSA-N	197.282	1.809	50	20	ADGD	
CCNC(=O)NN=C1CCCCC1	238242511	YKAKQTOJPMKOOZ-UHFFFAOYSA-N	183.255	1.626	50	20	ADGD	
CCNC(=O)NN=C[C@H](C)C(C)(C)C	800810955	AWRXFKIRDBJHJS-QMMMGPOBSA-N	199.298	1.974	50	20	ADGD	
CN(NC(=O)CCC1CC1)C1CC1	819647164	LKRGFJPFZKTKDL-UHFFFAOYSA-N	182.267	1.302	50	20	ADGD	
CC(=NNC(N)=O)C1CCCC1	252468442	NJWMEEBBWOEFHP-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
CO[C@H](C)C(=O)NNc1ccccc1	732265530	LEGXWSMQHPMZMI-MRVPVSSYSA-N	194.234	1.165	50	20	ADGD	
CCCNC(=O)NN=C1CC[C@H](C)C1	814819946	VDJXTKLQGWTRJA-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
C[C@H](CCl)[C@H]1CCS(=O)(=O)C1	85042998	FFOVGOIOOKKLCL-RQJHMYQMSA-N	196.699	1.296	50	20	ADGD	
CCSc1ccccc1C(=O)NN	168658302	QOFLBLIBEIXRNE-UHFFFAOYSA-N	196.275	1.402	50	20	ADGD	
C[C@H](NC=C(C#N)C#N)C1CC1	306598236	XFOAIUVHGVFPPC-ZETCQYMHSA-N	161.208	1.306	50	20	ADGD	
CC(=O)NN=Cc1cc(F)cc(F)c1	755468581	WLCKHYRAOAWCLV-UHFFFAOYSA-N	198.172	1.435	50	20	ADGD	
COCC(=O)NNc1cccc(C)c1	849606520	AZQAGWFGSJGQFW-UHFFFAOYSA-N	194.234	1.085	50	20	ADGD	
CC(CC(C)(C)C#N)=NN(C)C(N)=O	853326641	HYFUZXODGRCHBI-UHFFFAOYSA-N	196.254	1.313	50	20	ADGD	
CC1(C)C[C@@](C)(N)C=C(C#N)C1=O	2332240828	AVXBPRQRECIZEL-JTQLQIEISA-N	178.235	1.153	50	20	ADGD	
CC(C)c1ccccc1C(=O)NN	39410274	UVZSYTIJJFWFDG-UHFFFAOYSA-N	178.235	1.414	50	20	ADGD	
CC(=O)NN=C(C)C1CCC1	307904657	QVKFQUOZRWXFTB-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
CC(C)CC(=O)NN=C[C@H]1C[C@@H]1C	379412084	JKWPNIVYHLZKSX-DTWKUNHWSA-N	182.267	1.791	50	20	ADGD	
CC[C@H](Cl)C(=O)N1CC(CF)C1	409426817	ISEFDNDNRSMXRX-ZETCQYMHSA-N	193.649	1.432	50	20	ADGD	
N#CC(C#N)=CNCCc1ccco1	763360409	ARQSIEGWOOXZJZ-UHFFFAOYSA-N	187.202	1.343	50	20	ADGD	
CN(NC(=O)[C@@H]1CC=CCC1)C1CC1	819642694	MVYXXRKBWZOHKZ-SECBINFHSA-N	194.278	1.468	50	20	ADGD	
C[C@@H](Br)Cc1ncc[nH]1	40289093	SYYSWMWROIMPHD-RXMQYKEDSA-N	189.056	1.736	50	20	ADGD	
Cn1ccc(/C=C(\C#N)C(=O)O)c1	144328704	XCTIYFPTGOBDMT-XBXARRHUSA-N	176.175	1.017	50	20	ADGD	
COC(=O)NN=Cc1ccc(C)o1	254503836	GVWDTEQEKPVLCH-UHFFFAOYSA-N	182.179	1.278	50	20	ADGD	
N#CC1=CCN(Cc2cccnc2)CC1	259314378	WDABVQIYHXRUOX-UHFFFAOYSA-N	199.257	1.737	50	20	ADGD	
O=C[C@@]1(CCl)C[C@H]2CC[C@H]1O2	306729038	OEPSVGWALGWADM-PRJMDXOYSA-N	174.627	1.362	50	20	ADGD	
COC(=O)/C(C#N)=C\c1cncs1	307476621	LKJDBIBLDQLCQM-KXFIGUGUSA-N	194.215	1.223	50	20	ADGD	
CCC(=O)NN=C1CCS[C@H]1C	382372313	GXGCOMHITDVRNJ-LURJTMIESA-N	186.280	1.394	50	20	ADGD	
C=CCCC(=O)N1CC=C(C#N)CC1	767159807	KHJFPBMGJNJFJG-UHFFFAOYSA-N	190.246	1.635	50	20	ADGD	
C/C=C/C=C/C(=O)NN(C)C1CC1	819642020	CPKDAWZLIBSMQA-VNKDHWASSA-N	180.251	1.244	50	20	ADGD	
CCC(CC)=NNC(=O)c1cc[nH]n1	853393694	PKWWUULRSHZOHS-UHFFFAOYSA-N	194.238	1.316	50	20	ADGD	
CCC(=O)NNc1ccc(F)cc1	307630909	ZDFHUNCMSPMMLJ-UHFFFAOYSA-N	182.198	1.679	50	20	ADGD	
CC[C@H](C)CCC(=O)NN(C)C1CC1	819652317	KXXILSOICJHDKF-VIFPVBQESA-N	198.310	1.938	50	20	ADGD	
CCCCCC[C@@H](C)CC(=O)NN	825644681	DGJOKYWNBBGYCD-SECBINFHSA-N	186.299	1.973	50	20	ADGD	
CC(C)C1CCC(NC(=O)NN)CC1	841861248	YIDVASRLGPMXPV-UHFFFAOYSA-N	199.298	1.374	50	20	ADGD	
C[S@@](=O)CCC1(CCl)CC1	306843056	COAFRJPNFCKPFV-SNVBAGLBSA-N	180.700	1.774	50	20	ADGD	
Cn1cccc1C(=O)NN=CC1CC1	755610930	FMDUSOKVOCFEFJ-UHFFFAOYSA-N	191.234	1.151	50	20	ADGD	
CC(C)C(=O)NN=C1CCO[C@H](C)C1	773189926	APEUSQHRVKWZMY-MRVPVSSYSA-N	198.266	1.314	50	20	ADGD	
C[C@@H]1CC[C@H](C=NNC(=O)C2CC2)C1	800805410	XLDJJKUVXAMXCO-BDAKNGLRSA-N	194.278	1.935	50	20	ADGD	
CCC(=NN(C)C(N)=O)[C@H]1CC1(C)C	841631289	HCZBCQGCPHBISU-SSDOTTSWSA-N	197.282	1.809	50	20	ADGD	
Cn1cccc1-c1nnc(CCl)o1	96034735	YCWYMEGMPOGNJQ-UHFFFAOYSA-N	197.625	1.814	50	20	ADGD	
CC[C@H]1CCN(C(=O)CCl)C1	159174024	YBVMDADCDAMXCG-ZETCQYMHSA-N	175.659	1.484	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)OC	307994835	VTZFATUJKMNYHT-ZCFIWIBFSA-N	170.212	1.518	50	20	ADGD	
CC(C)CCC=NNC(=O)N(C)C	382319392	SOLUFADVGXKXBH-UHFFFAOYSA-N	185.271	1.680	50	20	ADGD	
C[C@H]1CO[C@@H](CBr)C1	536957344	FRHOXLPOYYYOPC-PHDIDXHHSA-N	179.057	1.806	50	20	ADGD	
C[C@H]1CCC[C@@H](C=NN(C)C(N)=O)C1	768367013	LFXBJIMLFSJHBI-DTWKUNHWSA-N	197.282	1.809	50	20	ADGD	
CC[C@@H](NC=C(C#N)C#N)C(F)F	840728244	VDBWVSMGRVPYOO-SSDOTTSWSA-N	185.177	1.551	50	20	ADGD	
COc1cc(CCl)nc(OC)c1	95763658	URFHEWIOZBTZDC-UHFFFAOYSA-N	187.626	1.838	50	20	ADGD	
CSc1cnc(N=C=S)cn1	114086221	WUACEPTXSRKMEX-UHFFFAOYSA-N	183.261	1.933	50	20	ADGD	
CCC(=O)NN=C(C)[C@H]1CCCO1	379400500	ITDDMRWEMINQDT-MRVPVSSYSA-N	184.239	1.068	50	20	ADGD	
COCC(=O)NN=C(C)C1CCCC1	761817389	NYRGRLBMRBEOAH-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CNC(=O)NN=C1CCCC12CCC2	834943653	DKNGYBXFAOBFCL-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
O=C(NNc1ccc(F)cc1)C1CC1	912710015	CPFZZEDAROYCEZ-UHFFFAOYSA-N	194.209	1.679	50	20	ADGD	
O=C(NN=C1CCCCC1)C1CC1	5382468	ACNAVCBINGFITL-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
C[C@@H]1CCC[C@@H](NC(=O)NN)CC1	235282527	ISDFVSDCNGJKED-HTQZYQBOSA-N	185.271	1.128	50	20	ADGD	
C=CC1CCN(C(=O)CCl)CC1	307730795	IUFLFIBLJUNRQS-UHFFFAOYSA-N	187.670	1.650	50	20	ADGD	
CN(C)C(=O)NN=CC1CCCCC1	745605703	XWVYTCBNLYBYCI-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CN(N=C1CC[C@H]1C1CCC1)C(N)=O	814890866	DASQRAUZIUCDJZ-QMMMGPOBSA-N	195.266	1.563	50	20	ADGD	
CCC(=NNC(=O)C1CC1)[C@H]1C[C@@H]1C	841605041	OKLXJQWZGYXXNV-CBAPKCEASA-N	194.278	1.935	50	20	ADGD	
CON(C)C(=O)C(C)(C)CCl	82511418	DUBQFEJUSMOTTN-UHFFFAOYSA-N	179.647	1.271	50	20	ADGD	
CC(C)C(C)(C)NC=C(C#N)C#N	307146377	NJFHWKFHPVNALC-UHFFFAOYSA-N	177.251	1.942	50	20	ADGD	
CCO[C@@H]1CCCC1=NNC(C)=O	308423577	PRYYNOBVOLKSAC-SECBINFHSA-N	184.239	1.068	50	20	ADGD	
CCOC(=O)NN=C(C)C(C)C	379326558	IOTOHIGPUDCLCP-UHFFFAOYSA-N	172.228	1.764	50	20	ADGD	
CC[C@@H](C)C(C)=NNC(=O)NC	393377593	YGIPEIBZBOVQCR-ZCFIWIBFSA-N	171.244	1.337	50	20	ADGD	
C/C=C\C(=O)NNc1cccc(F)n1	804769558	IUTMEHHOLWEUNS-RQOWECAXSA-N	195.197	1.240	50	20	ADGD	
C/C(=C/C(=O)NN(C)C1CC1)C1CC1	819647236	JWWHIIXVMMBBDH-FPLPWBNLSA-N	194.278	1.468	50	20	ADGD	
CCCNC(=O)NN=Cc1ccc[nH]1	920989668	PRBNTSXGSJTYRM-UHFFFAOYSA-N	194.238	1.058	50	20	ADGD	
O=[S@@](Cl)CCCCl	104717022	DYUXKYMOAGRODF-ZETCQYMHSA-N	161.053	1.518	50	20	ADGD	
CNC(=O)NN=C/C=C\c1ccco1	920377915	PXFCVSJNJAIYHZ-FRIFJPNMSA-N	193.206	1.208	50	20	ADGD	
N#CC(C#N)=Cc1ccc(C#N)o1	205020828	JYYLLEJPEXZIGW-UHFFFAOYSA-N	169.143	1.582	50	20	ADGD	
CC1(C)CCC(C=NNC(N)=O)CC1	393665512	HZPADNRRYMKSOG-UHFFFAOYSA-N	197.282	1.857	50	20	ADGD	
C[C@H]1CCCC1=NNC(=O)O	736777328	AUUNDFAJHWUZAL-YFKPBYRVSA-N	156.185	1.430	50	20	ADGD	
ClCc1snnc1Cl	71790880	CAHYYWAQUOMHPK-UHFFFAOYSA-N	169.036	1.930	50	20	ADGD	
C[C@@H]1CCC[C@@H](CC(=O)NN)C1	306958608	VZCAYXRISVRJQQ-HTQZYQBOSA-N	170.256	1.193	50	20	ADGD	
CNC(=O)NN=C[C@H](C)CC(C)C	308414353	MQWFINTXVJUOEF-MRVPVSSYSA-N	185.271	1.583	50	20	ADGD	
COCCCC(C)=NNC(=O)OC	379392639	SHKUPLNOAHOVNA-UHFFFAOYSA-N	188.227	1.145	50	20	ADGD	
CC(=O)NN=C1CC[C@@H]1C1CCC1	382162684	TYVDRKDYBXNUIB-SECBINFHSA-N	180.251	1.689	50	20	ADGD	
CCC(=O)NN=Cc1ccc(C)cc1	606518014	DNHNUTPRPOBESJ-UHFFFAOYSA-N	190.246	1.855	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CCCOCC1	776256744	FYQFEFAYDDWWKX-SNVBAGLBSA-N	191.234	1.076	50	20	ADGD	
CC[C@@H](C)C(=O)NNc1ccccn1	777471156	DGNOHOZDDATYDN-MRVPVSSYSA-N	193.250	1.571	50	20	ADGD	
CCC(=NNC(C)=O)c1ccncc1	834918780	HRFNGQAEMDCPJW-UHFFFAOYSA-N	191.234	1.332	50	20	ADGD	
ClCc1noc(-c2ccccn2)n1	20284449	RTMRFJFUZOPGML-UHFFFAOYSA-N	195.609	1.870	50	20	ADGD	
O=C(Cl)c1cc2n(n1)CCCO2	90396945	QBNCERFJSXMTRV-UHFFFAOYSA-N	186.598	1.045	50	20	ADGD	
CCC(=NNC(=O)NC)C1CCCC1	834944369	PMYRKBAABUVAER-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CCC(F)(F)C(=O)NN(C)C1CC1	854983411	FFHHQHAJTREIDM-UHFFFAOYSA-N	192.209	1.157	50	20	ADGD	
Cc1ncccc1NC(=O)CCl	85726861	DXBCYHLSBSVZTG-UHFFFAOYSA-N	184.626	1.567	50	20	ADGD	
C[C@H]1CC[C@@H](C)N1C(=O)CCl	90495888	IZEGJNWOOPXVJG-KNVOCYPGSA-N	175.659	1.625	50	20	ADGD	
O=C[C@@]1(CCCCl)CCOC1	307743157	YCCMMTXNQOZBPW-MRVPVSSYSA-N	176.643	1.611	50	20	ADGD	
COC(=O)N(C)N=C1CCCC1	306401152	LWNRRJLHVHLDAQ-UHFFFAOYSA-N	170.212	1.615	50	20	ADGD	
CC(C)NC(=O)NN=CC1CCCC1	741839762	QBMCXDSPGDIHDU-UHFFFAOYSA-N	197.282	1.870	50	20	ADGD	
CC(=O)NN=Cc1ccc(F)cc1C	750916585	ORZKYOLOZXSBKX-UHFFFAOYSA-N	194.209	1.604	50	20	ADGD	
CCC(=O)NN=C1C[C@H](C)O[C@H]1C	834920381	KBSIIXKGDZXRNQ-BQBZGAKWSA-N	184.239	1.066	50	20	ADGD	
CC(C)CC(=O)NN=C1CO[C@@H](C)C1	842520623	NDIJNNLTXKGBGB-QMMMGPOBSA-N	198.266	1.314	50	20	ADGD	
CCC(C=NNC(=O)OC)CC	307991827	UBAHCRMRGQZONP-UHFFFAOYSA-N	172.228	1.764	50	20	ADGD	
C[C@@H]1C[C@@H]1C=NNC(=O)NCC1CC1	758374941	LHIDRHMVGQCJQD-VXNVDRBHSA-N	195.266	1.337	50	20	ADGD	
CC[C@H](C#N)[S@@](=O)Cl	307081126	SPBNMIIXIXRPSH-SPGJFGJESA-N	151.618	1.191	50	20	ADGD	
O=C(CC1CC1)NN=Cc1cc[nH]c1	814987512	RIVKAUZSPYQUKZ-UHFFFAOYSA-N	191.234	1.265	50	20	ADGD	
C=CCCCCNC=C(C#N)C#N	308281270	XXNSLWPXINBTFN-UHFFFAOYSA-N	175.235	1.863	50	20	ADGD	
C[C@](C#N)(NC=C(C#N)C#N)C1CC1	747839773	KRHHITOZCJFSKA-SNVBAGLBSA-N	186.218	1.199	50	20	ADGD	
CC(C)C(=O)NN[C@@H](C)C(F)(F)F	862307084	IFUPSYSLKHPUKT-YFKPBYRVSA-N	198.188	1.214	50	20	ADGD	
O=C1CCSSCCC(=O)O1	149991169	RZXFHEUMRMFKNF-UHFFFAOYSA-N	192.261	1.231	50	20	ADGD	
COC(=O)NN=C[C@@H](C#N)C(C)C	308500330	WJOROQQSVGMJFD-SSDOTTSWSA-N	183.211	1.124	50	20	ADGD	
CCN(C)C(=O)N1CC=C(C#N)CC1	805059250	MRLJVKWWJYORPK-UHFFFAOYSA-N	193.250	1.214	50	20	ADGD	
CC(C)[C@H](F)C(=O)NN(C)C1CC1	819652043	ZLOHVSJJHRZTPS-QMMMGPOBSA-N	188.246	1.106	50	20	ADGD	
CC[C@H](Br)COC(C)=O	39251774	GURAWRUJYKNGQZ-LURJTMIESA-N	195.056	1.723	50	20	ADGD	in-vitro
N#CC(C#N)=CN[C@@H]1CCCSC1	307726071	CNHWACXSYLRDHB-SECBINFHSA-N	193.275	1.403	50	20	ADGD	
CCC(=O)NN=C[C@H]1C[C@@H]1C	307880318	QCLVFZIKFDMWKR-NKWVEPMBSA-N	154.213	1.154	50	20	ADGD	
O=C(NN=Cc1nccs1)C1CC1	393466618	CBWAAEMEEJVPIN-UHFFFAOYSA-N	195.247	1.003	50	20	ADGD	
CC(C)CC=NNC(=O)c1cn[nH]c1	863156143	NPSHXELTCCJQRH-UHFFFAOYSA-N	194.238	1.171	50	20	ADGD	
CCC(C)=NNC(=O)N(C)C	307884948	UIBBSRGDMJYFAK-UHFFFAOYSA-N	157.217	1.044	50	20	ADGD	
CCCC=NNC(=O)c1cccnc1	793091858	OSTAPZCFOZWUPV-UHFFFAOYSA-N	191.234	1.597	50	20	ADGD	
C/C=C(\C)C(=O)NCCCSC#N	854361806	MYWQATSKXGKJSU-FPYGCLRLSA-N	198.291	1.673	50	20	ADGD	
CCC(=O)NNc1ccc(Cl)cn1	856094663	QGEHJXMWWDOWGB-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
O=C(NNc1ccccc1)[C@H]1C[C@@H]1F	1348450779	BTDDFBGEOBCKTF-IUCAKERBSA-N	194.209	1.488	50	20	ADGD	
Cn1ncc(Cl)c1C=C(C#N)C#N	307581471	RIQCVGGAXREYEZ-UHFFFAOYSA-N	192.609	1.504	50	20	ADGD	
CCC(=O)NN=C1CCC[C@@H]1C	308052004	SMLWXLFDMGLWFJ-ZETCQYMHSA-N	168.240	1.689	50	20	ADGD	
C/C=C(\C)C(=O)NCC(Cl)Cl	837650683	ZQQVIOFGODURKV-HWKANZROSA-N	196.077	1.873	50	20	ADGD	
CC(=O)NN=C/C=C/c1ccccc1	254871224	SSSRDGHLKUBCCK-LWRNNSOOSA-N	188.230	1.822	50	20	ADGD	
COC(=O)N(C)N=C(C)C(C)C	308164210	TXQNZNCNQUCIMN-UHFFFAOYSA-N	172.228	1.717	50	20	ADGD	
CCCC=NNC(=O)c1ccc[nH]1	308234893	QJYNQDPTMMWYSH-UHFFFAOYSA-N	179.223	1.530	50	20	ADGD	
CCNC(=O)N(C)N=CC(C)(C)C	308441507	ZBEACVZOSYEEDV-UHFFFAOYSA-N	185.271	1.680	50	20	ADGD	
CC(=NNC(=O)C(C)C)[C@@H]1CCOC1	741757441	WWNTWCSCAMVADQ-SECBINFHSA-N	198.266	1.171	50	20	ADGD	
CCNC(=O)N(C)N=Cc1cc[nH]c1	769591306	GHMBRBBQUJASSI-UHFFFAOYSA-N	194.238	1.010	50	20	ADGD	
CC/C(C)=C/C(=O)NN(C)C1CC1	819653612	TWUKVEOWRWFJEI-BQYQJAHWSA-N	182.267	1.468	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1CO[C@@H](C)C1	842524043	IHFNNGFEJCNBSN-SFYZADRCSA-N	198.266	1.314	50	20	ADGD	
C[C@@H](C(=O)NN(C)C1CC1)C1CCC1	819652701	ALONWCRNSUVDOC-MRVPVSSYSA-N	196.294	1.548	50	20	ADGD	
Br[C@H]1CN2CCC1CC2	36894535	OYBNAPYLIZUTFS-ZETCQYMHSA-N	190.084	1.476	50	20	ADGD	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C	139529347	MLTGWQXXCOUEDP-UHFFFAOYSA-N	195.174	1.829	50	20	ADGD	
CC(=O)NN=C1CC(C(F)F)C1	306510591	LEBCTOVGXLWTCM-UHFFFAOYSA-N	176.166	1.154	50	20	ADGD	
C/C=C\C(=O)NCC(Cl)Cl	307794033	SOKIZUKSFBCMGN-IHWYPQMZSA-N	182.050	1.482	50	20	ADGD	
CCCCC(C)=NNC(=O)C(F)F	382024779	PHNYQOWJTGTJTF-UHFFFAOYSA-N	192.209	1.934	50	20	ADGD	
C#CCn1ccn2ncc(CCl)c12	409439613	SOWUMONCYNJVRE-UHFFFAOYSA-N	193.637	1.508	50	20	ADGD	
Cc1ccc(F)c(C=NNC(=O)O)c1	738281008	MHXYXILRDKEGDD-UHFFFAOYSA-N	196.181	1.736	50	20	ADGD	
CCCCCC(=O)NNC(=O)C1CC1	849185815	UESSCVPFBXOYOS-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
O=C(CC1CC1)NN=C1CC[C@@H]2C[C@H]12	872378574	BTRUGGZTFPAMSY-BDAKNGLRSA-N	192.262	1.689	50	20	ADGD	
C[C@@H]1CCCC[C@H]1CC(=O)NN	306275711	RCDJRDQPLZVCJE-SFYZADRCSA-N	170.256	1.193	50	20	ADGD	
C[C@H]1CCCC1=NNC(=O)C(F)F	393586820	VGWRAPZSHPNJRT-YFKPBYRVSA-N	190.193	1.544	50	20	ADGD	
CCC(C=NNC(N)=O)CC	252447661	NKNWKZRTEZPNSM-UHFFFAOYSA-N	157.217	1.077	50	20	ADGD	
COC(=O)NN=CC1(SC)CC1	307974690	JXQBMESNSQFZFU-UHFFFAOYSA-N	188.252	1.224	50	20	ADGD	
CCC(=NNC(N)=O)[C@@H]1C[C@@H]1C	383471682	CWMWDERQPADQLO-NTSWFWBYSA-N	169.228	1.077	50	20	ADGD	
C[C@H](Cl)C(=O)N1CC(F)(F)C1	409424379	UXYTWFNKJUVYHY-BYPYZUCNSA-N	183.585	1.091	50	20	ADGD	
CCOC(=O)/C(C#N)=C\NC1CCC1	730511918	CQMMHMNWFIIANB-FPLPWBNLSA-N	194.234	1.099	50	20	ADGD	
CNC(=O)NN=C1CC[C@H](C)[C@@H](C)C1	767371472	ZLWIYKGRSPNVRE-YUMQZZPRSA-N	197.282	1.728	50	20	ADGD	
Cc1occc1C(=O)NN(C)C1CC1	819643097	XFAXJXMMHSDXLY-UHFFFAOYSA-N	194.234	1.327	50	20	ADGD	
O=C(CCCF)NNc1ccccc1	830757543	QABLBZPWKRCOOH-UHFFFAOYSA-N	196.225	1.879	50	20	ADGD	
C/C=C(/C)C(=O)NCC(Cl)Cl	837650685	ZQQVIOFGODURKV-HYXAFXHYSA-N	196.077	1.873	50	20	ADGD	
Cc1ccc(C=NNC(=O)C2CC2)o1	254439416	RLJYTGVENKFOCI-UHFFFAOYSA-N	192.218	1.448	50	20	ADGD	
CCC(=NNC(=O)C1CC1)[C@@H]1C[C@H]1C	841605047	OKLXJQWZGYXXNV-VXNVDRBHSA-N	194.278	1.935	50	20	ADGD	
CCC(=NNC(=O)NC)[C@H]1CC1(C)C	841621205	WFDMEQXTKUVOBC-SSDOTTSWSA-N	197.282	1.728	50	20	ADGD	
CCCCC(=O)NNc1ncccn1	913043903	GUZBHSJOQIARSA-UHFFFAOYSA-N	194.238	1.110	50	20	ADGD	
CCOC(=O)NN=C[C@H](C)CC	307973430	ITQGLAMTRMWLNO-SSDOTTSWSA-N	172.228	1.764	50	20	ADGD	
N#C/C(=C/C1CC1)C(=O)OCCF	308411212	OLIIUUVQJVQKBW-YVMONPNESA-N	183.182	1.359	50	20	ADGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(N)=O	773180345	PGYUAFLTIFZWJC-RKDXNWHRSA-N	195.266	1.633	50	20	ADGD	
CCNC(=O)NN=C[C@H]1CC[C@@H](C)C1	800810999	CTSHMEXDTGGCOJ-BDAKNGLRSA-N	197.282	1.728	50	20	ADGD	
CCC(=O)NN=C(CC)c1ccco1	814708035	CILYLGQSADUMBN-UHFFFAOYSA-N	194.234	1.920	50	20	ADGD	
Cc1ccoc1C(=O)NN(C)C1CC1	819643748	MZJMNCKRFFHBQS-UHFFFAOYSA-N	194.234	1.327	50	20	ADGD	
CC[C@H]1CCC[C@H]1NC(=O)CCl	306423772	IGJCCZZTKSDTIN-JGVFFNPUSA-N	189.686	1.920	50	20	ADGD	
CNC(=O)NN=C1C=C(C)CC1	308077461	GLQNLGQOLMCBRY-UHFFFAOYSA-N	167.212	1.012	50	20	ADGD	
CCCC=NNC(=O)OC	387928214	ZWYJFGRUCXHXLN-UHFFFAOYSA-N	144.174	1.128	50	20	ADGD	
COC(=O)N(C)N=Cc1ccccn1	794961450	SMAYMYONLJPOHB-UHFFFAOYSA-N	193.206	1.114	50	20	ADGD	
CCC1(CNC(=O)NN)CCCCC1	841879093	XNCZMCLWXFMTOR-UHFFFAOYSA-N	199.298	1.520	50	20	ADGD	
CC[C@H](C)C(C)=NNC(=O)N(C)C	308305764	OHGCNRBDPXBHRW-ZETCQYMHSA-N	185.271	1.680	50	20	ADGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)O	37469483	PIKCFBLFAVLSNX-XVNBXDOJSA-N	192.174	1.283	50	20	ADGD	
CC1(C)CCC(=NNC(N)=O)CC1	70655019	VNOZJPANTOBTBL-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
Cc1cc(CCCCl)n(C)n1	84267960	ZONXIYMUUVWNAR-UHFFFAOYSA-N	172.659	1.900	50	20	ADGD	
Cc1nc([C@H](C)Cl)no1	98108772	FDXBSPHBDFTEMI-VKHMYHEASA-N	146.577	1.678	50	20	ADGD	in-vitro
CCO/C=C(/C#N)c1nnc(C)o1	306558671	OUDVOVNPCAEZMX-ALCCZGGFSA-N	179.179	1.279	50	20	ADGD	
COC(=O)NN=C1CC2(CCC2)C1	307530733	WCBADBRRMZFIEF-UHFFFAOYSA-N	182.223	1.663	50	20	ADGD	
N#CCC(=O)NNc1ccccc1F	773454964	GLBODCSPNPNGFY-UHFFFAOYSA-N	193.181	1.182	50	20	ADGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NN	841907803	DUQQSAJRKAOVME-RKDXNWHRSA-N	199.298	1.376	50	20	ADGD	
COC[C@]1(CCl)CCCOC1	234750629	RIYVUCYCBUJHOZ-MRVPVSSYSA-N	178.659	1.668	50	20	ADGD	
CNC(=O)NN=C1CC[C@H]1C1CC1	382317460	RYMKSBPJQNWKKL-ZETCQYMHSA-N	181.239	1.091	50	20	ADGD	
ClCc1c[nH]nc1-c1cnccn1	409442269	YHYZTVAKNQYOAJ-UHFFFAOYSA-N	194.625	1.606	50	20	ADGD	
CC(C)C=NNC(=O)[C@@H]1CCO[C@@H]1C	842550881	AWYNSVPIXKPWKZ-RKDXNWHRSA-N	198.266	1.169	50	20	ADGD	
CC(=O)NN=C(C)c1ccc(F)cc1	382602797	PWIGUBQQCMMRBQ-UHFFFAOYSA-N	194.209	1.686	50	20	ADGD	
CCCNC(=O)NN=CC1(C)CC1	388630280	KRWWISZMCGXUTO-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
C[C@@H]1CCCCN(C(=O)CCl)C1	575561174	OUMQNNWKYHKFOF-MRVPVSSYSA-N	189.686	1.874	50	20	ADGD	
CCCNC(=O)NN=C(C)CC1CC1	756832151	CQIXZHXLHZYHKX-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
Cc1cccc(NNC(=O)C2CC2)n1	862525687	UDKSBRFFVQVBGU-UHFFFAOYSA-N	191.234	1.243	50	20	ADGD	
CCOC(=O)c1cnccc1CCl	98179678	NVIQUWRYVPUNHR-UHFFFAOYSA-N	199.637	1.997	50	20	ADGD	
Cn1ncc(CC2(CCl)CC2)n1	307613996	KQXFLBPTFHEYRQ-UHFFFAOYSA-N	185.658	1.377	50	20	ADGD	
CCCC=NNC(=O)[C@H](C)CC	379326733	IXMFBIIRAOPSPN-MRVPVSSYSA-N	170.256	1.935	50	20	ADGD	
CNC(=O)NN=C[C@H]1CC[C@@H](C)C1	379383220	KHZMAJRWNNFEJC-SFYZADRCSA-N	183.255	1.337	50	20	ADGD	
N#CC1=CCN(Cc2ccno2)CC1	779587312	MDDKLAJWDGQVGS-UHFFFAOYSA-N	189.218	1.330	50	20	ADGD	
CCC(=O)NN=Cc1ccc(F)cc1	915915908	WLILIKSHVAHHQP-UHFFFAOYSA-N	194.209	1.686	50	20	ADGD	
C[C@@H]1C[C@H]1CCl	57385898	QSOLBSRMEMQEGA-UHNVWZDZSA-N	104.580	1.881	50	20	ADGD	
C[C@@H](CCl)CC[S@@](C)=O	306571731	GHYPKZXSMALBJT-HZGVNTEJSA-N	168.689	1.630	50	20	ADGD	
C[C@@]1(CNC=C(C#N)C#N)CCCO1	755033010	XIYKRQGSVWMFLF-JTQLQIEISA-N	191.234	1.076	50	20	ADGD	
C/C=C/C(=O)NNc1ncccc1F	804216286	QTTZLDOSZISPDF-DUXPYHPUSA-N	195.197	1.240	50	20	ADGD	
N#CC(C#N)=C1CCSCC1	51951739	FGZVXGMAJUXLLJ-UHFFFAOYSA-N	164.233	1.857	50	20	ADGD	
CC(C)(CCl)C(N)=S	83339549	IOFGNHTXPGQUOJ-UHFFFAOYSA-N	151.662	1.538	50	20	ADGD	
CC(C)(C)CCC(=O)N=C=O	300755090	UANCPMPPTOONBV-UHFFFAOYSA-N	155.197	1.675	50	20	ADGD	
COC(=O)N(C)N=C(C)c1ccoc1	794957702	LWFUGIQHLYONCD-UHFFFAOYSA-N	196.206	1.702	50	20	ADGD	
CCC(=O)NN=Cc1ccccc1C	915916523	HRFRKUHXMZCVTI-UHFFFAOYSA-N	190.246	1.855	50	20	ADGD	
COCC[C@@]1(CCl)CCOC1	85045783	CDSPZGGSGQKYPI-QMMMGPOBSA-N	178.659	1.668	50	20	ADGD	
CC[C@@H](C)[C@H](N)CCl	164781461	GWAXIRKTFKDUKC-PHDIDXHHSA-N	135.638	1.599	50	20	ADGD	
CC1(C)CC(=NNC(=O)C(F)F)C1	307380011	ZLPREWYWNQKEKK-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
CC(C)C=NNC(=O)C(C)C	307872329	MBMOCRSVUGBMII-UHFFFAOYSA-N	156.229	1.400	50	20	ADGD	
CC(=NNC(=O)C1CCC1)C(C)C	308257459	LNVUXCNRDFIJKU-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)C1CCC1	308339927	QKHBTYXJMIFCFX-CBAPKCEASA-N	180.251	1.545	50	20	ADGD	
CC[C@@H](Cl)C(=O)N1CC(F)(F)C1	409423670	QEFDLOATCVTIHJ-RXMQYKEDSA-N	197.612	1.481	50	20	ADGD	
CC1(C(=O)NN)CCCCCC1	825638529	CPTKNZALFGAZSK-UHFFFAOYSA-N	170.256	1.337	50	20	ADGD	
C[C@@H]1CCC[C@@H](CNC(=O)NN)[C@@H]1C	841892036	CAWOQJBVQZZJPC-HLTSFMKQSA-N	199.298	1.232	50	20	ADGD	
CCC(C)=NNC(=O)[C@H]1CCO[C@@H]1C	842554478	LOOAVUCWFDKYPJ-BDAKNGLRSA-N	198.266	1.314	50	20	ADGD	
O=[S@](O)[C@@H](Cl)C(F)(F)F	12410174	ZEJKIEHIDAPZFY-PVQJCKRUSA-N	182.550	1.335	50	20	ADGD	
Cc1ncsc1/C=C/C=O	86208002	AANADVYZDGLGQA-NSCUHMNNSA-N	153.206	1.664	50	20	ADGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(N)=O	773180343	PGYUAFLTIFZWJC-DTWKUNHWSA-N	195.266	1.633	50	20	ADGD	
C[C@H](CC(=O)NN(C)C1CC1)C1CC1	819646394	WHKNNBGCFNZNIO-MRVPVSSYSA-N	196.294	1.548	50	20	ADGD	
C[C@H](CCl)Cc1cnn(C)c1	82765147	NXVWBDBPQYHNOF-ZETCQYMHSA-N	172.659	1.838	50	20	ADGD	
CC(=O)NN=C1CC(C)(C)C[C@H]1C	308311998	RXYOOEDZEAKESO-SSDOTTSWSA-N	182.267	1.935	50	20	ADGD	
COC(=O)NN=C1CCC[C@@H](C)C1	308490598	RBCHPECMKWCPSX-SSDOTTSWSA-N	184.239	1.909	50	20	ADGD	
CC[C@H](C)C(=O)NN=C[C@@H]1CCOC1	915977137	OLVSEHCERRSSOZ-IUCAKERBSA-N	198.266	1.171	50	20	ADGD	
F[C@@H]1OCC[C@@H]1Br	1537958166	KSCJRQMDEGNNAB-IUYQGCFVSA-N	168.993	1.466	50	20	ADGD	
CCC(C)(C)NS(=O)(=O)CCl	82511957	KPEFTYSSYAILSK-UHFFFAOYSA-N	199.703	1.291	50	20	ADGD	
CCOC1CC(=NNC(=O)C(C)C)C1	814743943	BLPAVOBDTAHPES-UHFFFAOYSA-N	198.266	1.314	50	20	ADGD	
C=CCCC(CC)=NN(C)C(N)=O	379419005	XCQXGEAPYLBRKL-UHFFFAOYSA-N	183.255	1.729	50	20	ADGD	
O=C(NN=Cc1cncs1)C1CC1	388283810	OOHRGMWINHOEET-UHFFFAOYSA-N	195.247	1.003	50	20	ADGD	
CCCCNC(=O)NN=C(C)CC	388307888	QHGWNPWCJSVDOO-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
C[C@@H](C=NNC(=O)N(C)C)C(C)(C)C	800811458	VJVXZNOYTQLVLG-QMMMGPOBSA-N	199.298	1.926	50	20	ADGD	
F[C@H]1COC[C@@H]1Br	1537958155	AWZMROPNYAMGRQ-IMJSIDKUSA-N	168.993	1.118	50	20	ADGD	
CN(C(=O)CCl)c1ccccn1	19812582	JWBOWNVTLBUXJT-UHFFFAOYSA-N	184.626	1.283	50	20	ADGD	
CSC[C@@H](C)NC(=O)CCl	135281969	RBGVBFHZJQGNFC-RXMQYKEDSA-N	181.688	1.093	50	20	ADGD	
CCC(=O)NN=C[C@@H]1C[C@H]1C	307880324	QCLVFZIKFDMWKR-RQJHMYQMSA-N	154.213	1.154	50	20	ADGD	
CNC(=O)NN=Cc1cccs1	379325627	DDMLGMZITBTOCN-UHFFFAOYSA-N	183.236	1.011	50	20	ADGD	
CC/C(C)=C(\C)C(=O)NN(C)C1CC1	819649901	MUCKVOHFXRTYPX-CMDGGOBGSA-N	196.294	1.858	50	20	ADGD	
Cc1cn(C/C=C\C#N)c(C)n1	865361110	MXFKOEAWOYKJEI-ARJAWSKDSA-N	161.208	1.580	50	20	ADGD	
CCCC(=O)NNC(=O)C1CCCC1	914844877	FSHKXMAZACQXKF-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
C[C@H]1CCCN1C(=O)CCl	37911253	ZDSSCCXCKHSWMK-LURJTMIESA-N	161.632	1.236	50	20	ADGD	
CC1(C)CC[C@@H](NC(=O)CCl)C1	128634042	FXCPIVDQKMWHNE-SSDOTTSWSA-N	189.686	1.920	50	20	ADGD	
CC[C@@H]1CCN(C(=O)CCl)C1	159173866	YBVMDADCDAMXCG-SSDOTTSWSA-N	175.659	1.484	50	20	ADGD	
CCCC(C)=NNC(=O)NC(C)C	308386406	XFUYLERHQBYYOJ-UHFFFAOYSA-N	185.271	1.870	50	20	ADGD	
CC(C)C(=NNC(=O)C1CC1)C1CC1	750917802	MVRAIIDGEGACDI-UHFFFAOYSA-N	194.278	1.935	50	20	ADGD	
CCCNC(=O)NN=CCCC1CC1	807966330	YZCSIMWXXKKVJN-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC(=O)NN=C[C@H]1CCC[C@H](C)C1	308204372	XLERAJOPURYXNC-WPRPVWTQSA-N	182.267	1.935	50	20	ADGD	
C[C@@H]1C[C@@H]1C(=O)NNc1ccccn1	777474413	BBTQPFIKWPKMMI-SFYZADRCSA-N	191.234	1.181	50	20	ADGD	
Cc1ccccc1C[C@@H](C)C(=O)NN	876789892	MGWMJEYYRAUUBH-SECBINFHSA-N	192.262	1.164	50	20	ADGD	
CCCCC(=O)OOCC	113847823	TWHYJVALDXIUOY-UHFFFAOYSA-N	146.186	1.671	50	20	ADGD	
N#CC(C#N)=CNCc1ccncc1	747819862	QMNZZUFVHCXESX-UHFFFAOYSA-N	184.202	1.102	50	20	ADGD	
NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	841836429	NYKGCEDXAOPZCO-DTWKUNHWSA-N	197.282	1.128	50	20	ADGD	
CC[C@H](C)C(=O)NCC(Cl)Cl	307565906	NJELBCHNWCCONH-YFKPBYRVSA-N	198.093	1.952	50	20	ADGD	
COC(=O)NN=C[C@H]1CC[C@H](C)C1	388759781	DMQLURAZYZZUMT-YUMQZZPRSA-N	184.239	1.764	50	20	ADGD	
CC(C)=NNC(=O)[C@H]1CCCCO1	834989035	PAXSHNYCNXFKQK-MRVPVSSYSA-N	184.239	1.068	50	20	ADGD	
C=CC(C)(C)CNC=C(C#N)C#N	840728686	WWIUTIIHESHTRM-UHFFFAOYSA-N	175.235	1.719	50	20	ADGD	
CCO[C@H]1CCCN(C(=O)Cl)C1	86894112	HVBMGDUIAMOOBU-ZETCQYMHSA-N	191.658	1.846	50	20	ADGD	
O=C(CCl)N1CC[C@@H](CF)C1	409428353	MHGIZBQXSACKTN-LURJTMIESA-N	179.622	1.043	50	20	ADGD	
CC(Cc1ccncc1)=NNC(=O)O	825030982	RDDAWZNZBHJZGE-UHFFFAOYSA-N	193.206	1.268	50	20	ADGD	
CCC(=O)NN=C(CC)[C@@H]1C[C@H]1C	841604723	UMPVRZAAMSEOKF-HTQZYQBOSA-N	182.267	1.935	50	20	ADGD	
Cc1cc(O)ccc1NC(=O)CCl	2583828	SUUQSSRYHBPWBB-UHFFFAOYSA-N	199.637	1.878	50	20	ADGD	
CCC(C)=NNC(=O)NCC1CC1	379414628	OIUZASSKWMZQJU-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CO[C@H](C)C(C)=NNC(=O)C1CCC1	763176493	QXZQUQZGDJGLQF-MRVPVSSYSA-N	198.266	1.314	50	20	ADGD	
C/C(C#N)=C\CSC1CNC1	1575045688	OWXKKAJQRVDXCV-FARCUNLSSA-N	168.265	1.161	50	20	ADGD	
CC1(C)[C@@H]2CN(C(=O)CCl)C[C@H]21	306549006	QCTQOWOMMOYBPZ-RNFRBKRXSA-N	187.670	1.340	50	20	ADGD	
CC(C)C[C@@H](C)CC(=O)NN	307700660	MEULYBOBYAILJO-SSDOTTSWSA-N	158.245	1.049	50	20	ADGD	
CCOC(=O)NN=C(C)CCOC	378870554	MOSNCGNFFCPGQF-UHFFFAOYSA-N	188.227	1.145	50	20	ADGD	
COCC(C)(C)C=NNC(=O)OC	393721840	YVPIWCQIQFUXFO-UHFFFAOYSA-N	188.227	1.001	50	20	ADGD	
CCC[C@@H](C=NNC(=O)C1CC1)OC	834917798	JNORSAWQGASTEF-VIFPVBQESA-N	198.266	1.314	50	20	ADGD	
CC(C)CC(=O)NN=C1CO[C@H](C)C1	842520622	NDIJNNLTXKGBGB-MRVPVSSYSA-N	198.266	1.314	50	20	ADGD	
O=C(O)c1cccc(C(=O)Cl)c1	39056728	OHFLNNVKHIOKKU-UHFFFAOYSA-N	184.578	1.764	50	20	ADGD	
CCC(=O)NNc1ccccc1F	307424600	OAMVMMCFIAAZEE-UHFFFAOYSA-N	182.198	1.679	50	20	ADGD	
CC1(C(=O)NNc2ccccn2)CC1	777472711	ZRIVLEWARJDIAI-UHFFFAOYSA-N	191.234	1.325	50	20	ADGD	
Cc1cccc(/C=C(/C#N)C(N)=O)c1	5619303	FMWZFCCTKYZOQI-POHAHGRESA-N	186.214	1.387	50	20	ADGD	
N#C/C(=C\c1ccsc1)C(N)=O	5949525	ZXICRUZKUISQPW-XVNBXDOJSA-N	178.216	1.140	50	20	ADGD	
CNC(=O)NN=C[C@H]1CC[C@H](C)C1	379383221	KHZMAJRWNNFEJC-YUMQZZPRSA-N	183.255	1.337	50	20	ADGD	
COC(=O)N(C)N=C1CCC1(C)C	379405403	TYACYMCLOSGTIC-UHFFFAOYSA-N	184.239	1.861	50	20	ADGD	
CN(C)C(=O)NN=C[C@@H]1CC=CCC1	745612914	FQSDOJJZBPUOMW-SECBINFHSA-N	195.266	1.600	50	20	ADGD	
Cn1cc(/C=C/CCl)cn1	86211244	LMUUUXFLROMSSI-NSCUHMNNSA-N	156.616	1.672	50	20	ADGD	
ClCCCO[C@H]1CCCOC1	163345787	DKPSYJQCQWYXSR-QMMMGPOBSA-N	178.659	1.811	50	20	ADGD	
COC(=O)NN=C[C@H]1CCSC1	307965649	BRZQDMOEHXULJI-ZCFIWIBFSA-N	188.252	1.081	50	20	ADGD	
CCC(=O)NN=C1CC[C@@H](C)C1	393509735	XJRGDVBMSJDSCH-SSDOTTSWSA-N	168.240	1.689	50	20	ADGD	
CC[C@@](C)(C=NNC(=O)C1CC1)OC	834918266	RHHAMSMFUUHHGB-JTQLQIEISA-N	198.266	1.314	50	20	ADGD	
Cc1nnsc1CBr	83575620	CDBIXXJBMJZTRZ-UHFFFAOYSA-N	193.069	1.741	50	20	ADGD	
C/C=C/C(=O)NNc1ccccn1	306975329	ZIFTYUQQAAMSBB-GORDUTHDSA-N	177.207	1.101	50	20	ADGD	
C#CC1CCC(=NNC(C)=O)CC1	853258036	QCWHRYBBAUIIDM-UHFFFAOYSA-N	178.235	1.302	50	20	ADGD	
CCCC(C)=NNC(=O)OC	307936689	YNZSJFMIJMKKKC-UHFFFAOYSA-N	158.201	1.518	50	20	ADGD	
CCC(=NNC(=O)C(F)F)C(C)C	388722635	SQOXSMPHPZJHTF-UHFFFAOYSA-N	192.209	1.790	50	20	ADGD	
CC(C)[C@@H]1[C@H](Cl)[C@@H]1C(=O)O	536953133	FVHUWEWQOLDPJJ-JKUQZMGJSA-N	162.616	1.580	50	20	ADGD	
COCC1(CCl)CC1	157456833	YSHVHTPJIGCHLD-UHFFFAOYSA-N	134.606	1.652	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)NC	308001507	ZTSXPLLDUBXZGX-ZCFIWIBFSA-N	169.228	1.091	50	20	ADGD	
C/C=C(/C)C(=O)NNc1ccccn1	777469650	ZVKVCODYVCBGAD-BAQGIRSFSA-N	191.234	1.491	50	20	ADGD	
C[C@H]1CC[C@@H](CNC=C(C#N)C#N)C1	794846205	YNBTVZMAEQSCSU-VHSXEESVSA-N	189.262	1.943	50	20	ADGD	
CCO[C@@H]1CCCC(=NNC(C)=O)C1	905419766	SPUNKKPOBAKKTF-SNVBAGLBSA-N	198.266	1.458	50	20	ADGD	
CNC(=O)/C(C#N)=C\c1ccc(C)o1	915860619	XZYHXNWYIIBCEJ-YVMONPNESA-N	190.202	1.241	50	20	ADGD	
Cc1nc(C)c(/C=C(\C#N)C(=O)O)o1	1600691314	VDYXFGAZAJFUNV-XVNBXDOJSA-N	192.174	1.283	50	20	ADGD	
CC(CC(C)(C)C)=NNC(N)=O	254600159	DJTISLWAAYFWKF-UHFFFAOYSA-N	171.244	1.467	50	20	ADGD	
O=C(CCl)N1CCCC(F)(F)C1	259693430	ZSIVJCUBPDQCOI-UHFFFAOYSA-N	197.612	1.483	50	20	ADGD	
CC1(C)CCC(C(=O)NN)CC1	306337015	WFNDYZXRPGTYJY-UHFFFAOYSA-N	170.256	1.193	50	20	ADGD	
Cc1nnc(C[C@H](C)CCl)n1C	306574812	ITBSMEJCVRVUQN-LURJTMIESA-N	187.674	1.541	50	20	ADGD	
C[C@H]1CCC(=NN(C)C(N)=O)C[C@H]1C	767385304	HJPXKLVTSDRIKU-JGVFFNPUSA-N	197.282	1.809	50	20	ADGD	
CN(N=C1CCC(C)(C)CC1)C(N)=O	767904247	OFJHPARZJKCXLI-UHFFFAOYSA-N	197.282	1.953	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(N)=O	252890060	GISFSJVBZZEOKF-ZCFIWIBFSA-N	169.228	1.221	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccncc1	382607908	WAUNORAOQDDCFQ-UHFFFAOYSA-N	191.234	1.188	50	20	ADGD	
CC(C)C(=O)NN=C[C@H](C)CCC#N	765995842	ZTBJZYQZDLRRSI-SECBINFHSA-N	195.266	1.684	50	20	ADGD	
CC(C)C(=O)NN=C[C@@H](C)CCC#N	765995844	ZTBJZYQZDLRRSI-VIFPVBQESA-N	195.266	1.684	50	20	ADGD	
CC(C)C[N@@]1C[C@H]1CBr	1857775814	JMBBTMPWVWSGOY-APPZFPTMSA-N	192.100	1.722	50	20	ADGD	
CCC1CCN(C(=O)CCl)CC1	37833743	RAAUCGHREQJNEO-UHFFFAOYSA-N	189.686	1.874	50	20	ADGD	
C[C@@]1(CCl)CCCO1	87230393	AGEQWFQSYQGJDJ-LURJTMIESA-N	134.606	1.794	50	20	ADGD	
CC(=O)NNc1cccc(F)c1	306159591	LNFDCNACKVOJSY-UHFFFAOYSA-N	168.171	1.289	50	20	ADGD	
C[C@H]1CCCC1=NNC(=O)C1CC1	308254302	JPGDLAFREHMIPA-ZETCQYMHSA-N	180.251	1.689	50	20	ADGD	
CCNC(=O)NN=C1CC[C@H]1CC	379411531	IJKIYHZOCXBMJL-SSDOTTSWSA-N	183.255	1.482	50	20	ADGD	
C[C@H]1CO[C@H](CBr)C1	536957345	FRHOXLPOYYYOPC-RITPCOANSA-N	179.057	1.806	50	20	ADGD	
O=C(O)NN=Cc1ccc(Cl)nc1	832744215	HYZUHWMQNFRILL-UHFFFAOYSA-N	199.597	1.337	50	20	ADGD	
Cc1cocc1C(=O)NN(C)C1CC1	862037785	MTYJFJHXOWOADQ-UHFFFAOYSA-N	194.234	1.327	50	20	ADGD	
CSCC(C)(C)NC(=O)CCl	1333842016	SPBCIGFDOIUYCO-UHFFFAOYSA-N	195.715	1.483	50	20	ADGD	
C[C@@H]1CCCC1=NNC(=O)C1CC1	308254301	JPGDLAFREHMIPA-SSDOTTSWSA-N	180.251	1.689	50	20	ADGD	
CCCn1cccc(CCl)c1=O	82663287	FXYJJXAAGNZEDT-UHFFFAOYSA-N	185.654	1.997	50	20	ADGD	
COCCCCCNC(=O)CCl	218346090	WKCRCKYWWXPYRD-UHFFFAOYSA-N	193.674	1.158	50	20	ADGD	
CCCCCCC(=O)NNC(C)=O	308247516	XRVGEOSEWGESRE-UHFFFAOYSA-N	186.255	1.124	50	20	ADGD	
COC(=O)NN=C1C=C(C)CC1	307999259	YJBPIHZIBCNTLO-UHFFFAOYSA-N	168.196	1.439	50	20	ADGD	
CC[C@H](Cl)C(=O)N1CC[C@H](F)C1	409424698	XMTGIIICQSDVSC-BQBZGAKWSA-N	193.649	1.574	50	20	ADGD	
CCCCN/C=C(/C#N)C(=O)OCC	730942425	BANFMODLGKNIHB-HJWRWDBZSA-N	196.250	1.347	50	20	ADGD	
CC[C@H]1CCCC[C@H]1C(=O)NN	876788545	CMGLWWSTPPQRSG-JGVFFNPUSA-N	170.256	1.193	50	20	ADGD	
C#CCCCC(=O)NN=C[C@H]1C[C@@H]1C	901323928	BCLZJUYTIBPUSH-VHSXEESVSA-N	192.262	1.548	50	20	ADGD	
C[C@H]1C[C@H]1CCl	57385900	QSOLBSRMEMQEGA-WHFBIAKZSA-N	104.580	1.881	50	20	ADGD	
CCCC(=O)NNc1ccccn1	307751419	NZAZONBTXXKKCH-UHFFFAOYSA-N	179.223	1.325	50	20	ADGD	
C=CCCC(CCC)=NNC(N)=O	382178101	YNYNHADUTAPJRV-UHFFFAOYSA-N	183.255	1.777	50	20	ADGD	
COC(=O)N(C)N=C[C@H](C)CCC#N	794959544	JGNJSFZXDVRUBV-MRVPVSSYSA-N	197.238	1.610	50	20	ADGD	
CN(NC(=O)CC(F)(F)F)C1CC1	819645701	CHALSSXHHJDENL-UHFFFAOYSA-N	196.172	1.064	50	20	ADGD	
O=C(O)CC1CSSC1	34075697	QFRCXJMXEUPUHT-UHFFFAOYSA-N	164.251	1.472	50	20	ADGD	
CC(C)C=NNC(=O)NCC1CC1	308167923	YFVNBQCRMRTVRX-UHFFFAOYSA-N	183.255	1.337	50	20	ADGD	
C=CC[C@H](C)C(C)=NNC(=O)OC	308331327	IXNGPIAYHCGWME-ZETCQYMHSA-N	184.239	1.931	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CC[C@H](F)C1	409422373	DBXUIJFTBRJXSK-RITPCOANSA-N	179.622	1.184	50	20	ADGD	
CC(=O)NN=Cc1cccc(F)c1F	730723185	ZADCEXURMBDSAG-UHFFFAOYSA-N	198.172	1.435	50	20	ADGD	
CC1(C(=O)NCCCSC#N)CC1	816538656	ARHTYDBDOQKVON-UHFFFAOYSA-N	198.291	1.507	50	20	ADGD	
CNC(=O)NN=C(C)C1CCCCC1	920379068	MPYIKAOAYQFHNI-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
COC[C@@H]1CCCN1C(=O)Cl	39056516	GBUUCSBPNUWUCC-LURJTMIESA-N	177.631	1.456	50	20	ADGD	
O=C/C=C/c1cc[nH]c1	86207948	LPOWGPQPUMCMSC-OWOJBTEDSA-N	121.139	1.227	50	20	ADGD	
C[C@@H]1CCCC(=NN(C)C(N)=O)C1	308295866	JWOZVKYSQQGEHV-SSDOTTSWSA-N	183.255	1.563	50	20	ADGD	
C[C@@H]1C[C@@H]1C=NNC(=O)C1CCC1	308339929	QKHBTYXJMIFCFX-VXNVDRBHSA-N	180.251	1.545	50	20	ADGD	
CNC(=O)NN=C1CC[C@H](C)C[C@@H]1C	783833376	XOQWJCFCTCHIHX-YUMQZZPRSA-N	197.282	1.728	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CC12CCC2	871598620	VXKXEIAICGJUAT-SECBINFHSA-N	173.219	1.450	50	20	ADGD	
CC1(C)C[C@@H](Br)CO1	167832304	WPUVLTGFJSBYIO-RXMQYKEDSA-N	179.057	1.949	50	20	ADGD	
CC(C)(CC(=O)NN)c1ccccc1	306592385	RAQJRKHFCCWMQV-UHFFFAOYSA-N	192.262	1.344	50	20	ADGD	
COC(=O)N(C)N=CC1CC1	307930941	VJOLNMAYGNUZPR-UHFFFAOYSA-N	156.185	1.080	50	20	ADGD	
CN(N=C[C@H]1CC=CCC1)C(N)=O	308265729	PJGVWTAXHYBEHI-QMMMGPOBSA-N	181.239	1.339	50	20	ADGD	
COC(=O)NN=C1CSC[C@@H]1C	379332863	IFQKENSIYYGPMA-YFKPBYRVSA-N	188.252	1.081	50	20	ADGD	
O=C(O)NN=CC1CCCC1	738658711	KENHBLVFXJFAKL-UHFFFAOYSA-N	156.185	1.430	50	20	ADGD	
CCC(=O)NN=C(CC)[C@@H]1CCOC1	741838190	SGQKBLPMFOGTGU-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
COC(=O)NN=Cc1nc(C)cs1	388798351	NVNCGEPNGONRPN-UHFFFAOYSA-N	199.235	1.141	50	20	ADGD	
CN(NC(=O)c1ccccc1)C1CC1	819642605	NFZUNEGANFTTKF-UHFFFAOYSA-N	190.246	1.426	50	20	ADGD	
CCC(=NNC(=O)N(C)C)[C@H]1C[C@@H]1C	841622131	SWCKWBCDBFJDFJ-YUMQZZPRSA-N	197.282	1.680	50	20	ADGD	
C[C@@H]1CC(=NNC(=O)C2CCC2)CO1	842528970	ZGXFMVNJXZZWEY-SSDOTTSWSA-N	196.250	1.068	50	20	ADGD	
Oc1cccn2cc(CCl)nc12	89201725	LHPZYTKLCZAARH-UHFFFAOYSA-N	182.610	1.779	50	20	ADGD	
CC1(CC(=O)NN)CCCCC1	307724658	ZBBSIZPAOMJUEC-UHFFFAOYSA-N	170.256	1.337	50	20	ADGD	
N#CC(C#N)=Cc1ccnn1CC1CC1	849178150	VTFXKNMGCROQHT-UHFFFAOYSA-N	198.229	1.724	50	20	ADGD	
C[C@H]1COCC1=NNC(=O)C(C)(C)C	884417452	IFXVJNWPQDHVBI-ZETCQYMHSA-N	198.266	1.171	50	20	ADGD	
CCC(=O)NN=C(C)c1ccco1	255977850	HYLRNXMLKKWRIR-UHFFFAOYSA-N	180.207	1.530	50	20	ADGD	
CCC(=O)NNc1ccnc(Cl)c1	855469362	CDACKDWLPNRTJG-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
O=C[C@]1(CCl)C[C@H]2CC[C@H]1O2	306729036	OEPSVGWALGWADM-BWZBUEFSSA-N	174.627	1.362	50	20	ADGD	
CNC(=O)NN=C1CC[C@@H](C)C1	393429118	OSQQCUPYOLLTJZ-ZCFIWIBFSA-N	169.228	1.091	50	20	ADGD	
CC1CCC(=NNC(=O)N(C)C)CC1	745613404	SOGCPHJVRKDTFJ-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CN1C[C@@H](Cl)C(=O)C[C@H]1Cl	242648905	RKBQLVUHMNKYEG-XINAWCOVSA-N	182.050	1.063	50	20	ADGD	
C[C@@H]1CCCC1=NNC(=O)N(C)C	308257014	LGYBCKLPMPMFOC-SSDOTTSWSA-N	183.255	1.434	50	20	ADGD	
CC[C@@H]1[C@@H](Cl)[C@H]1C=O	536954976	NEXJDLJGGUKVGO-HCWXCVPCSA-N	132.590	1.449	50	20	ADGD	
CCC(=O)NN=C(C)C[C@H]1CCOC1	751516744	RUNQLSZTYGLRJY-SECBINFHSA-N	198.266	1.315	50	20	ADGD	
Cc1c[nH]cc1C(=O)NN(C)C1CC1	819647293	LALGSNZMVUEMDA-UHFFFAOYSA-N	193.250	1.062	50	20	ADGD	
CCCC(C)=NNC(=O)c1cn[nH]c1	863155902	DBMHZROJUHAUSF-UHFFFAOYSA-N	194.238	1.316	50	20	ADGD	
C/C(Cl)=C/C(=O)NN(C)C1CC1	911291337	DLOCVPPQTHVWTO-WAYWQWQTSA-N	188.658	1.254	50	20	ADGD	
CCC/C=C/C(=O)NNC(=O)C(C)C	920421589	BJYDRUFMBIIKSI-VOTSOKGWSA-N	198.266	1.146	50	20	ADGD	
CC(C)(C)c1nnnn1C/C=C\C#N	763306332	ZKKBFBWMYGYEIG-PLNGDYQASA-N	191.238	1.050	50	20	ADGD	
CCOCCC=NNC(=O)C1CCC1	788430143	SZACMJBYBONNDZ-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CC(C)C(=O)NNc1ncccc1F	804219843	ISTPAYVLYLBASZ-UHFFFAOYSA-N	197.213	1.320	50	20	ADGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NN	841818827	CGWJBWLYKGHXTM-RKDXNWHRSA-N	199.298	1.376	50	20	ADGD	
CC(C)[C@H]1CCN1C(=O)CCl	885352207	ULDNTKCRRJDWOO-SSDOTTSWSA-N	175.659	1.482	50	20	ADGD	
CCC(=NNC(N)=O)[C@H]1C[C@@H]1C	383471689	CWMWDERQPADQLO-WDSKDSINSA-N	169.228	1.077	50	20	ADGD	
Cc1ccc(C[C@@H](C)C(=O)NN)cc1	825651529	BCRAKHPQGNMHMV-SECBINFHSA-N	192.262	1.164	50	20	ADGD	
CN(C)C(=O)NN=C1CCC[C@@H]2C[C@H]12	841622212	UIPLFSYGEBZEGS-SFYZADRCSA-N	195.266	1.434	50	20	ADGD	
C#CCCCC(=O)NN=C1CCCC1	901320444	CXMLGCGXNZQBDD-UHFFFAOYSA-N	192.262	1.836	50	20	ADGD	
CC(=O)NNC(=O)CCC1CCCC1	913173208	FPLZFXQWRGSPJU-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
CCCCC(=O)NNc1ccn(C)n1	1339437870	LBFOMVFDFONXDR-UHFFFAOYSA-N	196.254	1.053	50	20	ADGD	
COCCOCCCCCl	49851776	PYTJQEJJAAFVFV-UHFFFAOYSA-N	166.648	1.668	50	20	ADGD	
COCCOC[C@H](C)CCl	70066790	VKDQSDOZPKPWPE-SSDOTTSWSA-N	166.648	1.524	50	20	ADGD	
CC1(C=NNC(=O)c2ccc[nH]2)CC1	782179853	QINLSCDWCHIQJD-UHFFFAOYSA-N	191.234	1.530	50	20	ADGD	
CC(=O)NN=Cc1ccc(C)c(C)c1	915936392	MMZHUHLCMKQVJR-UHFFFAOYSA-N	190.246	1.773	50	20	ADGD	
Cc1nc(C)c(/C=C(/C#N)C(=O)O)o1	1600691312	VDYXFGAZAJFUNV-CLTKARDFSA-N	192.174	1.283	50	20	ADGD	
CSC[C@H](C)NC(=O)CCl	135281948	RBGVBFHZJQGNFC-YFKPBYRVSA-N	181.688	1.093	50	20	ADGD	
BrCc1ccnnc1	157208868	XYISTKLMNCHVRS-UHFFFAOYSA-N	173.013	1.372	50	20	ADGD	
C[C@H]1CSC[C@H]1NC=C(C#N)C#N	306554245	KDUBPOYVEFJMBY-IONNQARKSA-N	193.275	1.259	50	20	ADGD	
CCOC[C@]1(CCl)CCCO1	307736434	AQPDJYNGWFGRBA-MRVPVSSYSA-N	178.659	1.811	50	20	ADGD	
CCCCNC(=O)NN=CC1CC1	308210733	GHMZCWHAHIYSKC-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CCC(=O)NN=Cc1occc1C	379354161	HQRNEKKZOBSIKV-UHFFFAOYSA-N	180.207	1.448	50	20	ADGD	
C[C@H](CC(=O)NN)c1cccc(F)c1	825644897	KNPWAHPNVHEYER-SSDOTTSWSA-N	196.225	1.309	50	20	ADGD	
CC[C@H]1CCCC[C@H]1C(=O)N(C)N	1573714123	YTGUDTDYGSSQSF-DTWKUNHWSA-N	184.283	1.535	50	20	ADGD	
C[C@H]1CC(=NNC(N)=O)CC[C@H]1C	252472987	RTVIYBKONXZKSR-RQJHMYQMSA-N	183.255	1.467	50	20	ADGD	
CCC[C@H](C)NC=C(C#N)C#N	307744974	QCWZBORTRAAXAG-QMMMGPOBSA-N	163.224	1.696	50	20	ADGD	
CC[C@H]1CCC1=NNC(C)=O	388164410	YAOWPVVEIYVXCC-ZETCQYMHSA-N	154.213	1.299	50	20	ADGD	
C[C@@H]1CCC[C@@H]1CNC=C(C#N)C#N	798345576	XQPZQLUDDBPSCQ-MWLCHTKSSA-N	189.262	1.943	50	20	ADGD	
C[C@H](CC(=O)NN)C1CCCCC1	825644697	FMJLDLNHMIZKCJ-MRVPVSSYSA-N	184.283	1.583	50	20	ADGD	
C=C[C@H](C)NC=C(C#N)C#N	306467248	LZBPVADLPLFJDU-ZETCQYMHSA-N	147.181	1.082	50	20	ADGD	
C/C=C/C(=O)NNc1ncccc1C	791221152	QCKSKSIDHUODOB-HWKANZROSA-N	191.234	1.409	50	20	ADGD	
CCNC(=O)NN=C(CC)[C@H]1C[C@@H]1C	841621065	QYQGCYPXKHDAMT-YUMQZZPRSA-N	197.282	1.728	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1CO[C@H](C)C1	842524041	IHFNNGFEJCNBSN-HTQZYQBOSA-N	198.266	1.314	50	20	ADGD	
CCCC(C)(C)C(=O)NN(C)C1CC1	846267748	CWRBFXDDQSXJGK-UHFFFAOYSA-N	198.310	1.938	50	20	ADGD	
ClC[C@@H]1CO[C@]2(CCSC2)O1	134963726	UBGFHTBQKPMMNL-RNFRBKRXSA-N	194.683	1.474	50	20	ADGD	
Cc1ccsc1C=NNC(N)=O	252448356	VULPZLSSGFJLAZ-UHFFFAOYSA-N	183.236	1.059	50	20	ADGD	
N#CC(C#N)=CNC1CC=CC1	307420823	ZSCCTSQZAKDNLW-UHFFFAOYSA-N	159.192	1.226	50	20	ADGD	
CCC(=O)NN=C1CCC[C@H]1C	308052003	SMLWXLFDMGLWFJ-SSDOTTSWSA-N	168.240	1.689	50	20	ADGD	
C=C/C=C\CCNC(=O)CCl	713452882	LSCAWWLLLLZMRW-ARJAWSKDSA-N	173.643	1.474	50	20	ADGD	
C[C@H]1CCC[C@@H]1CNC=C(C#N)C#N	798345574	XQPZQLUDDBPSCQ-GXSJLCMTSA-N	189.262	1.943	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CCC[C@@H]2C[C@H]12	840726724	BXFVSBXTMRMWLA-VWYCJHECSA-N	187.246	1.696	50	20	ADGD	
O=C(NN=C1CCC[C@@H]1F)C1CC1	872328029	NGQJWUIPJTYYHO-ZETCQYMHSA-N	184.214	1.391	50	20	ADGD	
CCNC(=O)/C=C/CBr	1898243454	CUKGFMMDHCFITK-ONEGZZNKSA-N	192.056	1.074	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)N(C)C	388584595	HDABPHBDDLOSLZ-ZETCQYMHSA-N	183.255	1.434	50	20	ADGD	
CCCCNC(=O)NN=C[C@H]1C[C@@H]1C	758374757	IKWKVFRCSJSOOD-DTWKUNHWSA-N	197.282	1.728	50	20	ADGD	
CC(=O)NN=C(C)CC(C)(C)C	834919659	ZFNBKEIWZFKFGH-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
C=C(C)CCNC=C(C#N)C#N	840728033	SCKIMTCVXSYVJP-UHFFFAOYSA-N	161.208	1.473	50	20	ADGD	
OB(O)c1occc1C1CCCCC1	198019348	VLUFDYGWIUUHHH-UHFFFAOYSA-N	194.039	1.007	50	20	ADGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)O	307180239	JMCLXSXFAXRBTE-ZZXKWVIFSA-N	188.142	1.143	50	20	ADGD	
CCNC(=O)NN=C1CC[C@H](C)C1	378871911	PSXJTYWCZXVBMF-ZETCQYMHSA-N	183.255	1.482	50	20	ADGD	
O=C(CCl)NC[C@H]1CC=CCC1	45630820	KXOAOJQCHHFEDQ-QMMMGPOBSA-N	187.670	1.698	50	20	ADGD	
CC(C)CNC=C(C#N)C#N	307575377	IOWUXUZMUADMEI-UHFFFAOYSA-N	149.197	1.163	50	20	ADGD	
C[C@H](Cl)C(=O)N1CC[C@H](CF)C1	409428315	MDVWXUYHWZCESR-NKWVEPMBSA-N	193.649	1.432	50	20	ADGD	
CC1=CC(=NNC(=O)CC2CC2)CC1	814989175	GNPAUQKXNXQQFH-UHFFFAOYSA-N	192.262	1.999	50	20	ADGD	
CC(=O)NN=C(C)c1ccc(O)cc1	916267375	PRKPOXHZRCBSSW-UHFFFAOYSA-N	192.218	1.252	50	20	ADGD	
CNC(=O)NN=Cc1cccc(F)c1	920378829	CZGFHLNTADDCTQ-UHFFFAOYSA-N	195.197	1.089	50	20	ADGD	
N#C[C@H]1CCCN1C(=O)Cl	2048528844	HMEAKKHZAJIANB-RXMQYKEDSA-N	158.588	1.333	50	20	ADGD	
Cc1cc(C)nc(NC(=O)CCl)c1	5935282	VNVYARLTTTVRGE-UHFFFAOYSA-N	198.653	1.876	50	20	ADGD	
C[C@H](Cl)c1nc(C(=O)O)co1	584879880	IVSXSHQUBOWHKZ-VKHMYHEASA-N	175.571	1.673	50	20	ADGD	
C[C@@H]1C[C@H]1C=NNC(=O)c1ccc[nH]1	758374373	RXMYXEHUUZTJOG-SFYZADRCSA-N	191.234	1.386	50	20	ADGD	
C[C@H](C=NNC(=O)C1CC1)CCC#N	765992904	HLZTXKJCYXSHSI-QMMMGPOBSA-N	193.250	1.438	50	20	ADGD	
CC(C)(C)C(=O)NNc1ccccn1	777471480	LRYLYAJUNFEJSL-UHFFFAOYSA-N	193.250	1.571	50	20	ADGD	
CC1(CN2CC=C(C#N)CC2)COC1	779588176	WKOFOOJWPYVWCV-UHFFFAOYSA-N	192.262	1.179	50	20	ADGD	
CC(=NNC(=O)O)c1ccc(F)cn1	833385400	XZCGHKRJWIHNPN-UHFFFAOYSA-N	197.169	1.212	50	20	ADGD	
CC[C@H](C)C(=O)NN=Cc1ccc[nH]1	915975910	ZMHDTOAMTFKRLV-QMMMGPOBSA-N	193.250	1.511	50	20	ADGD	
NC1(CCl)CCCC1	126131426	DSFHEYAUONDMFV-UHFFFAOYSA-N	133.622	1.497	50	20	ADGD	
C[C@@H]1[C@@H](CNC(=O)NN)CCC[C@H]1C	841892038	CAWOQJBVQZZJPC-HRDYMLBCSA-N	199.298	1.232	50	20	ADGD	
COC(=O)NN=C[C@H]1CC=CCC1	308506852	ZPLTWMJVGRVCIN-QMMMGPOBSA-N	182.223	1.685	50	20	ADGD	
O=C(CCl)Nc1ccc(F)nc1	218381027	JODQHRHDNSABTM-UHFFFAOYSA-N	188.589	1.398	50	20	ADGD	
Cc1nnc(C[C@@H](C)CCl)n1C	306574813	ITBSMEJCVRVUQN-ZCFIWIBFSA-N	187.674	1.541	50	20	ADGD	
CCc1ccc(C=NNC(C)=O)o1	393716848	WYAOQGRFRRMYRT-UHFFFAOYSA-N	180.207	1.312	50	20	ADGD	
CCc1ccc(C(C)=NNC(N)=O)o1	383473822	ICTJZZHQRNXDQA-UHFFFAOYSA-N	195.222	1.234	50	20	ADGD	
NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714448764	NGTKRMZMRZZCKY-KXUCPTDWSA-N	196.294	1.583	50	20	ADGD	
CC(C)[C@@H]1CCCC(=NNC(N)=O)C1	308278355	TYFAEMGLLUJSRC-MRVPVSSYSA-N	197.282	1.857	50	20	ADGD	
C[C@@H](C#N)OC(=O)/C(C#N)=C\C1CC1	786675563	JYFIVJZEGIRKGB-YHESJLBYSA-N	190.202	1.302	50	20	ADGD	
C/C(N)=C(/C#N)c1nc(C)c(C)s1	853004582	VHPAUAKBBXOXNV-VMPITWQZSA-N	193.275	1.973	50	20	ADGD	
COC(=O)c1cc(SC#N)c[nH]1	117560534	CNMOOFWVYOUBHI-UHFFFAOYSA-N	182.204	1.374	50	20	ADGD	
CCC(=NNC(=O)NC)C(C)C	307944757	HIJPOPWVAMQLIY-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
CC#CCOC(=O)/C(C#N)=C\C1CC1	786673663	JKYWPIJHPQVLNH-YFHOEESVSA-N	189.214	1.413	50	20	ADGD	
Cc1ncc(CCl)c(C)n1	104725304	GIZJHGVVWHTMEN-UHFFFAOYSA-N	156.616	1.832	50	20	ADGD	in-vitro
CSCC[C@H](C)NC(=O)CCl	135282089	IVRFCYDTEIFKHK-LURJTMIESA-N	195.715	1.483	50	20	ADGD	
CCOC(=O)NN=Cc1cccs1	263625735	HFHGACUFBKMSFX-UHFFFAOYSA-N	198.247	1.828	50	20	ADGD	
CC[C@@H](C)C(=O)NN=Cc1cc[nH]c1	745194912	DWZCIJFUEDIQCM-MRVPVSSYSA-N	193.250	1.511	50	20	ADGD	
N#CCC(=O)NNc1ccc(F)cc1	772009404	IPZHVBRYDWWSQT-UHFFFAOYSA-N	193.181	1.182	50	20	ADGD	
C[C@H](C(=O)NN(C)C1CC1)C1CC1	819648460	FENDFAJUFSIURF-ZETCQYMHSA-N	182.267	1.158	50	20	ADGD	
F[C@@H](CBr)C1COC1	1537962946	KRDBIJYNCZJBAZ-YFKPBYRVSA-N	183.020	1.366	50	20	ADGD	
C=CCC(C)(C)C(=O)NN(C)C1CC1	819652819	AWHPRCBETVXTFB-UHFFFAOYSA-N	196.294	1.714	50	20	ADGD	
Cn1ccnc1CCCCCl	86754664	PJMBMLQJBPAPQC-UHFFFAOYSA-N	172.659	1.982	50	20	ADGD	
CC(=O)NN=C[C@@H]1CCCC[C@H]1C	308279627	WMKZOSCIHMCASO-SCZZXKLOSA-N	182.267	1.935	50	20	ADGD	
CCC(CC)=NNC(=O)NC(C)C	308301179	MBQBKDRFRDQSKD-UHFFFAOYSA-N	185.271	1.870	50	20	ADGD	
CCn1cc(CCl)c(C(=O)O)n1	536953848	KQXMZLCSVOHWRG-UHFFFAOYSA-N	188.614	1.340	50	20	ADGD	
COC(=O)NN=CC(C)(C)CCC#N	755472558	XLFFZXKRLNVIIT-UHFFFAOYSA-N	197.238	1.658	50	20	ADGD	
CCNC(=O)NN=C1C[C@H]2CC[C@H]1C2	814817294	HQVLZUHFKVMYTQ-YUMQZZPRSA-N	195.266	1.482	50	20	ADGD	
CC[C@@H]1CCCC[C@H]1C(=O)NN	876788544	CMGLWWSTPPQRSG-HTQZYQBOSA-N	170.256	1.193	50	20	ADGD	
CC(=O)NNc1ccccc1Cl	269154	KETDIFDYSLJIGS-UHFFFAOYSA-N	184.626	1.803	50	20	ADGD	
O=C(NN=Cc1ccco1)C1CC1	252616166	JYFPWIQZBLOHBC-UHFFFAOYSA-N	178.191	1.140	50	20	ADGD	
CC(C)c1ccsc1C(=O)NN	306997092	UZYVCUZGLRLIBY-UHFFFAOYSA-N	184.264	1.475	50	20	ADGD	
C[S@](=O)CCCCBr	307383620	CNLFAIKRXWFPEM-QMMMGPOBSA-N	199.113	1.540	50	20	ADGD	
C[C@H]1CCCC1=NNC(=O)N(C)C	308257015	LGYBCKLPMPMFOC-ZETCQYMHSA-N	183.255	1.434	50	20	ADGD	
CC[C@@H]1[C@H](Cl)[C@@H]1C(=O)O	536953528	ISMAHACOZMEGFP-LMVFSUKVSA-N	148.589	1.334	50	20	ADGD	
CCC(C)=NNC(=O)[C@@H](C)CC	307963438	ZGXBOLZPCUHRJH-ZETCQYMHSA-N	170.256	1.935	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)C(C)(C)C	379408763	BOANTKQRUNACEU-JGVFFNPUSA-N	182.267	1.791	50	20	ADGD	
COC(=O)NN=Cc1cccnc1C	728777837	LZLOHGICNWIINZ-UHFFFAOYSA-N	193.206	1.080	50	20	ADGD	
CC(=O)NN=C(C)Cc1ccncc1	767741985	FMFUWLWVQYEPJB-UHFFFAOYSA-N	191.234	1.136	50	20	ADGD	
COC(=O)N(C)N=C[C@@H](C#N)C(C)C	1327844274	XZJSNAJHCRJWCS-MRVPVSSYSA-N	197.238	1.466	50	20	ADGD	
C=CC[C@H](C)NC(=O)CCl	135281360	MDLVAJZAJACEGG-LURJTMIESA-N	161.632	1.306	50	20	ADGD	
CC(=O)NNc1cc(C)cc(C)c1	202921582	VIPGDDNNVRKBFO-UHFFFAOYSA-N	178.235	1.766	50	20	ADGD	
NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	227880391	FYAGCEQRKPFMRI-OPRDCNLKSA-N	196.294	1.583	50	20	ADGD	
CCC(C=NNC(=O)CN(C)C)CC	727650265	YAALFBWETIBRTQ-UHFFFAOYSA-N	199.298	1.086	50	20	ADGD	
Cc1[nH]ncc1CBr	70705925	LDIGSCMJCSMDAY-UHFFFAOYSA-N	175.029	1.613	50	20	ADGD	
C[C@@H](CCl)CCS(C)(=O)=O	85044070	PCISGJDXDSMXMB-ZCFIWIBFSA-N	184.688	1.296	50	20	ADGD	
C#C[C@@H](NC=C(C#N)C#N)C(C)C	306208816	MUNBAXZQJITIND-SNVBAGLBSA-N	173.219	1.165	50	20	ADGD	
COC(=O)N(C)N=C(C)C1CCC1	308310639	RMTPZWOMHSNGKK-UHFFFAOYSA-N	184.239	1.861	50	20	ADGD	
COC(=O)NN=C(C)c1nccs1	308459291	GXPXUCXCYZIUBI-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
CCNC(=O)NN=C[C@@H](C)CCC#N	766010916	CSQLBTGPHPXBTK-QMMMGPOBSA-N	196.254	1.231	50	20	ADGD	
CCC(=O)NN=C(C)[C@@H]1CCCO1	379400501	ITDDMRWEMINQDT-QMMMGPOBSA-N	184.239	1.068	50	20	ADGD	
Fc1cnn(CCBr)c1	117575883	NWRXKYYAQQNYRV-UHFFFAOYSA-N	193.019	1.417	50	20	ADGD	
Cc1ccc(CCC(=O)NN)c(C)c1	258995114	LTNZCOISOANCNO-UHFFFAOYSA-N	192.262	1.226	50	20	ADGD	
O=C(CCCl)N1CCC(F)(F)C1	259683254	ZCUFBXDZDBVPNJ-UHFFFAOYSA-N	197.612	1.483	50	20	ADGD	
C#C[C@@]1(OC(=O)Cl)CCOC1	716355171	GBLAOIZPXRFJOT-SSDOTTSWSA-N	174.583	1.154	50	20	ADGD	
COCC1CCC(=NNC(C)=O)CC1	834919690	ZYAWFSDOGHUDFW-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NN	841785898	LHZYZRSIPJNAGA-BDAKNGLRSA-N	199.298	1.518	50	20	ADGD	
CCC(=O)NNc1ccc(OC)cc1	32232912	GFHIXNGNVOTJOM-UHFFFAOYSA-N	194.234	1.548	50	20	ADGD	
FC(F)(F)C1=NO[C@H](CCl)C1	38804235	OETBRSNIJGHJLM-VKHMYHEASA-N	187.548	1.932	50	20	ADGD	
N#CC1=CCN(C[C@@H]2CCCO2)CC1	259326213	WVIKWZCAONJZAA-NSHDSACASA-N	192.262	1.321	50	20	ADGD	
O=[S@@](Cl)C[C@H]1CCCO1	306744902	ZBRHUOBNFUMRIE-MLUIRONXSA-N	168.645	1.068	50	20	ADGD	
CCC(=O)NN=C1CSC[C@@H]1C	308003074	BWDDARLONQIBLP-LURJTMIESA-N	186.280	1.252	50	20	ADGD	
CNC(=O)NN=C(C(C)C)C1CC1	379418639	WJYBUTRXUWQVTP-UHFFFAOYSA-N	183.255	1.337	50	20	ADGD	
CC(C)C=NNC(=O)NC(C)C	388399968	MRJCGEJXBNCIAN-UHFFFAOYSA-N	171.244	1.336	50	20	ADGD	
CCc1n[nH]cc1CCCl	409441331	RCAVPXXSWATLQV-UHFFFAOYSA-N	158.632	1.753	50	20	ADGD	
CC1(C(=O)NNc2ccccc2)CC1	761027089	PDYDKWPZQDTPAN-UHFFFAOYSA-N	190.246	1.930	50	20	ADGD	
CCC[C@H](CC1CCCC1)C(=O)NN	843450517	HENZNLUPLLDPPF-SNVBAGLBSA-N	198.310	1.973	50	20	ADGD	
CCC(=O)NNc1ccc(C)c(F)c1	856231691	INQKLRIGFRMKOA-UHFFFAOYSA-N	196.225	1.987	50	20	ADGD	
CC/C=C(\C)C(=O)NNC(=O)C(C)C	914881955	YDXWTXUWQSLOMT-SOFGYWHQSA-N	198.266	1.146	50	20	ADGD	
O=C(O)c1cnn(CCCCl)c1	68593806	URBANUYDLBJIPZ-UHFFFAOYSA-N	188.614	1.210	50	20	ADGD	
COC(=O)NN=CC1CCCCC1	252510970	CLOMFWKQDYYXTB-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
CNC(=O)NN=CCC(C)(C)C	307966055	BWEJLGDAIOGLMO-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
NNC(=O)NCCCC1CCCCC1	694033547	KIVJLAOVCIPDPG-UHFFFAOYSA-N	199.298	1.520	50	20	ADGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)CC	746507781	YBWMDAHSROFKKZ-XZZQCUQZSA-N	196.250	1.345	50	20	ADGD	
C=CC[C@H](C)C(C)=NNC(N)=O	307960034	JWUYZXLMHCNWAD-LURJTMIESA-N	169.228	1.243	50	20	ADGD	
CC[C@H](C)C(=O)NN=C[C@H]1C[C@@H]1C	308136566	ADNVRLYQGIDIDE-XHNCKOQMSA-N	182.267	1.791	50	20	ADGD	
CCN(CCC1CC1)C(=O)CCl	385344208	LRTGKZVEMBENHI-UHFFFAOYSA-N	189.686	1.874	50	20	ADGD	
O=C(NN=Cc1cc[nH]c1)C1CCC1	745204370	MJEHLJUULINCSR-UHFFFAOYSA-N	191.234	1.265	50	20	ADGD	
CCNC(=O)NN=C(CC)[C@H]1C[C@H]1C	841621063	QYQGCYPXKHDAMT-SFYZADRCSA-N	197.282	1.728	50	20	ADGD	
N#CC(C#N)=CNCC1CC=CC1	864349684	SFQZBYJIPJJFCR-UHFFFAOYSA-N	173.219	1.473	50	20	ADGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NN	841785424	CPFJLLRNQJUREP-IUCAKERBSA-N	199.298	1.518	50	20	ADGD	
C[C@H]1C[C@H]1C(=O)NNc1ccccc1	868133281	VTVPHANYYHXMLN-WCBMZHEXSA-N	190.246	1.786	50	20	ADGD	
CC(=O)NN=C1CCOC(C)(C)C1	872325976	PGGGHECZDNDAFG-UHFFFAOYSA-N	184.239	1.068	50	20	ADGD	
CCNC(=O)NN=C[C@H]1CC=CCC1	920828557	MSVKSMMCZPRGBN-VIFPVBQESA-N	195.266	1.648	50	20	ADGD	
F[C@H]1OCCC[C@H]1Br	142698238	PXFAXLVYXPNKEY-UHNVWZDZSA-N	183.020	1.856	50	20	ADGD	
CCOC(=O)NN=CC1CC1	378910830	JHEAYKAPFVNLQG-UHFFFAOYSA-N	156.185	1.128	50	20	ADGD	
CCn1ccn2ncc(CCl)c12	409440624	YAXPKIZSMVPMJE-UHFFFAOYSA-N	183.642	1.895	50	20	ADGD	
C=CC[C@H](C)C(C)=NNC(=O)NCC	727778560	MIAUIEMXVLIPCW-QMMMGPOBSA-N	197.282	1.894	50	20	ADGD	
C=CC[C@@H](C)C(C)=NNC(=O)O	736096594	QIVCSAHGPJINQA-ZCFIWIBFSA-N	170.212	1.842	50	20	ADGD	
COC(=O)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	793110584	MRGVAZYWSFFVKK-CIUDSAMLSA-N	194.234	1.540	50	20	ADGD	
O=C(CC1CC1)NN=Cc1ccco1	814988930	CUWYSRDZSKTTRP-UHFFFAOYSA-N	192.218	1.530	50	20	ADGD	
C[C@@H](CC(=O)NN)C1CCCCC1	825644698	FMJLDLNHMIZKCJ-QMMMGPOBSA-N	184.283	1.583	50	20	ADGD	
C/C(C#N)=C/CSCC(=O)O	1602786339	MAOFSUCPVZFOAK-KXFIGUGUSA-N	171.221	1.274	50	20	ADGD	
CCCC(C)=NN(C)C(=O)OC	307973155	IOMWSLOYNSFMNU-UHFFFAOYSA-N	172.228	1.861	50	20	ADGD	
COC(=O)N(C)N=Cc1ccco1	308474764	LOZQPVNJGDQHMS-UHFFFAOYSA-N	182.179	1.312	50	20	ADGD	
CCC(=O)NN=C(C)C1CCOCC1	755879532	LMAVXJVWTDMFIK-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CC(C)CC=NNC(=O)C1CCC1	308157965	SNRFAIXJJTXYQO-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
N#CC(C#N)=Cc1ccc(O)c(F)c1	238714067	HRSULGZFUULYHO-UHFFFAOYSA-N	188.161	1.962	50	20	ADGD	
C/C=C\C(=O)NNc1cccc(F)c1	748088353	SZTQERDUYWXWIT-RQOWECAXSA-N	194.209	1.845	50	20	ADGD	
CC(CC1CC1)=NNC(=O)O	824760978	ZWQNGTUIZOVBMV-UHFFFAOYSA-N	156.185	1.430	50	20	ADGD	
CC(C)(C)[C@@H](Br)C=O	38350464	QLLDPMNJZCQKSS-YFKPBYRVSA-N	179.057	1.995	50	20	ADGD	
C[C@H]1CN(C(=O)Cl)[C@H](C)CO1	86889793	VTVAFMMTDOMEOT-RITPCOANSA-N	177.631	1.454	50	20	ADGD	
O=C(CCl)N1CCC[C@H](F)C1	145029483	UHFTWSJLQDBOIY-LURJTMIESA-N	179.622	1.186	50	20	ADGD	
Cc1ccc(C=NNC(N)=O)cc1C	252453096	AEGOAABRVUGBOR-UHFFFAOYSA-N	191.234	1.306	50	20	ADGD	
CCC(=O)NCCSSC	306432819	UTZNNZVTEAVYBC-UHFFFAOYSA-N	179.310	1.524	50	20	ADGD	
CC(C)NC(=O)NN=CC(C)(C)C	379413724	MIIHQJNKUOOWRE-UHFFFAOYSA-N	185.271	1.726	50	20	ADGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NN	841785426	CPFJLLRNQJUREP-RKDXNWHRSA-N	199.298	1.518	50	20	ADGD	
CC(C)=NNC(=O)Cc1cccnc1	728786783	YMOQKJMTDQMNHG-UHFFFAOYSA-N	191.234	1.136	50	20	ADGD	
CCCC=NNC(=O)c1ccccn1	793011566	SRQXJDCGDVYBSD-UHFFFAOYSA-N	191.234	1.597	50	20	ADGD	
CC(CC1CCCC1)=NNC(N)=O	308022463	USPFIUIWUFAQOI-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
CN(C)C(=O)NN=C1CCC[C@@H]1F	872346443	BJAGTYWHQDSPFP-LURJTMIESA-N	187.218	1.136	50	20	ADGD	
CCC(=NNC(C)=O)c1ccccc1	916267531	TUGOLQSPHWPJPK-UHFFFAOYSA-N	190.246	1.937	50	20	ADGD	
ClCc1cc(-c2cnccn2)n[nH]1	84122126	IKOAQECYTIHTKE-UHFFFAOYSA-N	194.625	1.606	50	20	ADGD	
C[C@H]1CC(=NNC(=O)C2CC2)[C@@H](C)O1	834918473	VZBPVTYQMJCGIH-NKWVEPMBSA-N	196.250	1.066	50	20	ADGD	
CCC(CC)=NNC(=O)NCC1CC1	920830860	RHZUPWRMPNRJMJ-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC(C)C[N@]1C[C@H]1CBr	1857775817	JMBBTMPWVWSGOY-VXNVDRBHSA-N	192.100	1.722	50	20	ADGD	
C=C1C[C@@H]1CCl	104734485	NHZFFAWWSQLSQD-RXMQYKEDSA-N	102.564	1.801	50	20	ADGD	
CO[C@H]1CCCCC1=NNC(C)=O	308308611	PMMMNWDMMNQGIM-VIFPVBQESA-N	184.239	1.068	50	20	ADGD	
CN(N=C1CCC12CCC2)C(N)=O	388782045	JRPBQYVYBIDZSP-UHFFFAOYSA-N	181.239	1.317	50	20	ADGD	
Cc1nc(C)c(C=NNC(=O)O)s1	738347688	BLLZCJCSRIPDJQ-UHFFFAOYSA-N	199.235	1.361	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CCC[C@H](F)C1	1349373562	QXKBAQUHFJCLDY-VHSXEESVSA-N	193.225	1.788	50	20	ADGD	
CC(C)[C@H](Cl)C=O	34621554	SCHRUBOQSCAFFP-RXMQYKEDSA-N	120.579	1.449	50	20	ADGD	
CC(C)[C@](C)(C#N)NC=C(C#N)C#N	232683636	GUVUNNKNGMDWHR-JTQLQIEISA-N	188.234	1.445	50	20	ADGD	
Cc1ccoc1CNC=C(C#N)C#N	793674386	QYYNMXSWHILEHR-UHFFFAOYSA-N	187.202	1.609	50	20	ADGD	
COC(=O)[C@@H](Cl)C(C)C	32134350	GOPHIGFAKSXHMW-YFKPBYRVSA-N	150.605	1.423	50	20	ADGD	
CCC(=NNC(N)=O)c1ccco1	252464246	QRKFZFJHGGQOME-UHFFFAOYSA-N	181.195	1.062	50	20	ADGD	
CCCC(C)=NNC(=O)NCC	307948392	ALNUKLRYDLJMKD-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CCNC(=O)NN=C(C)CC1CCC1	758375609	WSDIOHDPHPOSAL-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC(C)C(=O)NN=C1CC[C@@H]1C1CC1	814744322	ILIYICPGMGXQIC-SECBINFHSA-N	194.278	1.935	50	20	ADGD	
C[C@@H](Cl)CC(=O)OCCl	143336198	GWYHWJBUTPNSIJ-SCSAIBSYSA-N	171.023	1.743	50	20	ADGD	
CNNC(=O)[C@@H](C)c1ccccc1C	259013983	OQJLIPHRKVOOPX-VIFPVBQESA-N	192.262	1.349	50	20	ADGD	
CCC(=O)NN=C(C)CC1CC1	308050142	RSAMSUUTEYCGIW-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
CCOCCN1CC=C(C#N)CC1	308312414	SPGIIAAIFGUEKP-UHFFFAOYSA-N	180.251	1.179	50	20	ADGD	
C[C@H]1C[C@H]1C(=O)NCCCSC#N	379415718	QDTBEIQGKXTHDE-JGVFFNPUSA-N	198.291	1.363	50	20	ADGD	
CC1(C)CCC(=NNC(=O)O)C1	833558127	RLGVAZYUDKQMFG-UHFFFAOYSA-N	170.212	1.820	50	20	ADGD	
Cc1ccccc1[C@@H](C)NC(=O)NN	49527732	DFAIDODTVIXFFQ-MRVPVSSYSA-N	193.250	1.229	50	20	ADGD	
F[C@@]1(CBr)CCOC1	238531716	UAQBZFXNOZXLQD-RXMQYKEDSA-N	183.020	1.510	50	20	ADGD	
CCNC(=O)NN=C[C@@H](C)CC	388518428	VQLVSQOCDAYRPG-ZETCQYMHSA-N	171.244	1.337	50	20	ADGD	
C#CC(=O)NNc1cc(C)cc(C)c1	754084474	IRWVIOMFWZDTEB-UHFFFAOYSA-N	188.230	1.380	50	20	ADGD	
C[C@@H]1CCCN1C(=O)CCl	37911252	ZDSSCCXCKHSWMK-ZCFIWIBFSA-N	161.632	1.236	50	20	ADGD	
C=C(C)COCCNC=C(C#N)C#N	761790880	FQTNNSZGMIVNNW-UHFFFAOYSA-N	191.234	1.100	50	20	ADGD	
CCc1ccc(C=NNC(C)=O)cc1	916267580	XDDNZCFZHLBMGI-UHFFFAOYSA-N	190.246	1.719	50	20	ADGD	
NC(=O)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	388304146	YCZCRBDGZBZLFI-FXQIFTODSA-N	181.239	1.077	50	20	ADGD	
CC[C@@](C)(C#N)C(=O)NN(C)C1CC1	819652091	AGNPTHODCXQUQJ-JTQLQIEISA-N	195.266	1.052	50	20	ADGD	
CN(C)C(=O)NN=C1CCCCC1	140780554	WRACXYFTJDBUCC-UHFFFAOYSA-N	183.255	1.578	50	20	ADGD	
CCOC[C@@]1(CCl)CCOC1	157461696	WSWKCGTZGQZFPH-QMMMGPOBSA-N	178.659	1.668	50	20	ADGD	
CCn1cc(OC(=O)Cl)cn1	162205363	VPCSLTVEZBAZOI-UHFFFAOYSA-N	174.587	1.641	50	20	ADGD	
CCNC(=O)N(C)N=C[C@@H](C)CC	308428704	SJMZETUJPMSLGG-QMMMGPOBSA-N	185.271	1.680	50	20	ADGD	
CCOCC(=O)NN=C1CCCCC1	731154075	RSSLRGLGXJDUMF-UHFFFAOYSA-N	198.266	1.459	50	20	ADGD	
NNC(=O)NCCCCC1CCCC1	841844606	FPXMRSHTVVYFOV-UHFFFAOYSA-N	199.298	1.520	50	20	ADGD	
CC(C)Cc1ccc(C(=O)NN)s1	1263104439	IIGFLZRSVFFFBH-UHFFFAOYSA-N	198.291	1.550	50	20	ADGD	
CC[C@@H](C)C(=O)NN=CC1(C)CC1	308311498	RRJVGPCYKUBDSK-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
CC(=O)NN=C(C)c1cncc(C)c1	767357313	FPKVAOLJNAHXJR-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
CN(NC(=O)CC1CCC1)C1CC1	819648659	NEUZYGQSWNUHTL-UHFFFAOYSA-N	182.267	1.302	50	20	ADGD	
CCCC[C@@H](C)C(=O)NN(C)C1CC1	819652110	BDCLNJDAXQUNMD-SECBINFHSA-N	198.310	1.938	50	20	ADGD	
COCC[C@]1(CCl)CCOC1	85045781	CDSPZGGSGQKYPI-MRVPVSSYSA-N	178.659	1.668	50	20	ADGD	
CCC(=NNC(N)=O)C(C)C	252448025	RHEGABCZMSWBDO-UHFFFAOYSA-N	157.217	1.077	50	20	ADGD	
CC#CC(=O)NCCSSC	307731508	NBOSUAQFNUNNHM-UHFFFAOYSA-N	189.305	1.137	50	20	ADGD	
C=CC[C@H](CC)NC=C(C#N)C#N	379389440	LOBZZYWSQPXBRE-JTQLQIEISA-N	175.235	1.862	50	20	ADGD	
CC[C@@H]1CCCCC1=NN(C)C(N)=O	779781014	BJZVPKPXRFWODX-MRVPVSSYSA-N	197.282	1.953	50	20	ADGD	
CCC(=O)NN=C(C)c1cccnc1	915916526	HWEYHFNHCFSZSM-UHFFFAOYSA-N	191.234	1.332	50	20	ADGD	
N#CC1=C[C@H](Br)CC1	39258651	VIJFDNKQXWCYTH-ZCFIWIBFSA-N	172.025	1.994	50	20	ADGD	
CCCCCC[C@H](C)NC(=O)NN	49231325	QYIGXJITUILXJK-QMMMGPOBSA-N	187.287	1.518	50	20	ADGD	
Cc1cc(/C=C(/C#N)C(N)=O)c(C)o1	767878380	NBBZIGHOAASTKF-WTKPLQERSA-N	190.202	1.289	50	20	ADGD	
CC[C@@H](C)C(C)=NNC(=O)C(F)F	388582623	BXEANESZCQQQIM-RXMQYKEDSA-N	192.209	1.790	50	20	ADGD	
CCOC(=O)/C(C#N)=C\NCC(C)C	730940715	IZWWMIXEEKBFAJ-CLFYSBASSA-N	196.250	1.203	50	20	ADGD	
COc1cc(F)cc(NNC(C)=O)c1	759328410	NCUFBTNEVYWWFA-UHFFFAOYSA-N	198.197	1.297	50	20	ADGD	
CN(C)C(=O)NN=C1CC[C@H]1C1CC1	814820925	GZMSTVLLWDEDCZ-QMMMGPOBSA-N	195.266	1.434	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1COC[C@H]1C	884419595	VWIRCMBADGHHMV-JGVFFNPUSA-N	198.266	1.171	50	20	ADGD	
N#CC1=CCN(CCOC2CC2)CC1	930140776	FXBVTVPTBDTLAU-UHFFFAOYSA-N	192.262	1.321	50	20	ADGD	
N#CC(C#N)=Cc1cc(C(=O)O)co1	1601046574	WSRDKYFEUKAQKL-UHFFFAOYSA-N	188.142	1.408	50	20	ADGD	
CC(C)C[C@@H](CN)[C@@H](Cl)C(=O)O	2048531840	IILCRAGSRBCOQJ-NKWVEPMBSA-N	193.674	1.299	50	20	ADGD	
CSCCCNC(=O)CCl	69000467	PFCZYAFFDVWORK-UHFFFAOYSA-N	181.688	1.095	50	20	ADGD	
O=C(CCl)N1C[C@H]2CC[C@H]1C2	104897659	NSBRAPLNJJZHIJ-BQBZGAKWSA-N	173.643	1.236	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C(C)COC	308311247	RMMDADQHEARRGH-SSDOTTSWSA-N	186.255	1.171	50	20	ADGD	
CCCCCCC=NNC(=O)NC	379398653	XKGJCVJNDPFKSJ-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
O=C(NN=C1CC2(CC2)C1)C(F)F	306604624	ONFDQPZPOXLWMY-UHFFFAOYSA-N	188.177	1.298	50	20	ADGD	
O=C(CCl)NCC1CC(F)(F)C1	306948613	UEOVGBNNWBLMJK-UHFFFAOYSA-N	197.612	1.387	50	20	ADGD	
CCc1cnccc1NC(=O)CCl	307018893	RHCWVWXRQGGDSQ-UHFFFAOYSA-N	198.653	1.821	50	20	ADGD	
O=C1CC[C@H]1CCCl	307469631	OUNAGPRPSGQQLA-YFKPBYRVSA-N	132.590	1.594	50	20	ADGD	
CCC(=O)NN=C(C)c1cccs1	308309118	PZZWVDBFEPCTDX-UHFFFAOYSA-N	196.275	1.998	50	20	ADGD	
C[C@H]1CCC[C@H]1CNC=C(C#N)C#N	798345577	XQPZQLUDDBPSCQ-ONGXEEELSA-N	189.262	1.943	50	20	ADGD	
N#C[C@@H](O)c1cccc(F)c1	100093745	PIUFDVZAZWZBCK-MRVPVSSYSA-N	151.140	1.383	50	20	ADGD	
O=C[C@]1(CCCCl)CCOC1	307743160	YCCMMTXNQOZBPW-QMMMGPOBSA-N	176.643	1.611	50	20	ADGD	
C[C@H]1CC(C)(C)CC1=NNC(N)=O	308033308	QJRDANQFGLCAJO-LURJTMIESA-N	183.255	1.467	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccccc1	382587496	DFJHQNOCVISASN-UHFFFAOYSA-N	190.246	1.793	50	20	ADGD	
C[C@H]1CC[C@@H](C(=O)NN(C)C2CC2)C1	819650207	HDMLNNTYOFSHRV-DTWKUNHWSA-N	196.294	1.548	50	20	ADGD	
C[C@H]1CC(=NNC(=O)C2CC2)[C@H](C)O1	834918471	VZBPVTYQMJCGIH-BQBZGAKWSA-N	196.250	1.066	50	20	ADGD	
NNC(=O)[C@H]1CCCc2sccc21	168290761	WRKYKMAQDFNKDO-ZETCQYMHSA-N	196.275	1.158	50	20	ADGD	
CSC1(CNC=C(C#N)C#N)CC1	306240441	RNQDHNFQPGBMHX-UHFFFAOYSA-N	193.275	1.403	50	20	ADGD	
CCC(CC)=NNC(=O)C1CC1	5915970	QAORUKNEWRELQV-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
CCCCC[C@H](C)NC(=O)NN	42576275	AETWQXWYQGDFQZ-ZETCQYMHSA-N	173.260	1.128	50	20	ADGD	
COC(=O)NN=Cc1cccs1	254304512	GYAHUWDZQVVHML-UHFFFAOYSA-N	184.220	1.438	50	20	ADGD	
CC[C@H]1CCCC1=NN(C)C(N)=O	308226643	NBLXWYKFTFGZHD-ZETCQYMHSA-N	183.255	1.563	50	20	ADGD	
C[C@@H]1C[C@H]1C(=O)NCCCSC#N	379415717	QDTBEIQGKXTHDE-HTQZYQBOSA-N	198.291	1.363	50	20	ADGD	
CCO[C@H]1C[C@@H](NC=C(C#N)C#N)C1	840729713	QLTJQPFTQHZQMZ-AOOOYVTPSA-N	191.234	1.075	50	20	ADGD	
COC(=O)NN=C1CCSCC1	306267150	QDPMJMPPXRXMIG-UHFFFAOYSA-N	188.252	1.225	50	20	ADGD	
O=[S@](Cl)CC1CCC1	307614912	NXUIBRSXADXZFT-QMMMGPOBSA-N	152.646	1.689	50	20	ADGD	
COC(=O)NN=Cc1ccsc1C	378783925	ITGWVRSHRSZBSL-UHFFFAOYSA-N	198.247	1.746	50	20	ADGD	
CC1(C)CCN1C(=O)CCl	306240352	SRKIPWPNENYAAB-UHFFFAOYSA-N	161.632	1.236	50	20	ADGD	
CCNC(=O)NN=C(CC)[C@@H]1C[C@@H]1C	841621062	QYQGCYPXKHDAMT-JGVFFNPUSA-N	197.282	1.728	50	20	ADGD	
CCC(=NNC(=O)N(C)C)[C@H]1C[C@H]1C	841622128	SWCKWBCDBFJDFJ-SFYZADRCSA-N	197.282	1.680	50	20	ADGD	
C[C@@H]1CCCCCC1=NN(C)C(N)=O	844587674	DQNXUDCCAUGFLS-MRVPVSSYSA-N	197.282	1.953	50	20	ADGD	
CC(=O)NN=Cc1cccn1C1CC1	1328090385	FTQBLEVAYPOGIE-UHFFFAOYSA-N	191.234	1.293	50	20	ADGD	
O=[N+]([O-])c1ccc(CCl)nc1	21985582	SHXLNXXMMVOIAO-UHFFFAOYSA-N	172.571	1.729	50	20	ADGD	
ClC[C@@H]1CO[C@@H](c2ccoc2)O1	95908490	CFINBEFKAMFHOV-HTQZYQBOSA-N	188.610	1.932	50	20	ADGD	
CC(C)C(=O)N(C)CC(Cl)Cl	307630972	XITDSWHBFCVIQD-UHFFFAOYSA-N	198.093	1.905	50	20	ADGD	
CNC(=O)NN=C1CCCC1(C)C	308439382	YFBRCJFISLVRRU-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(=O)COC	761818512	NYAPELAJKNJQCF-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
CN(N=C1CCCC(C)(C)C1)C(N)=O	767909131	HJSLLABNTNSOAO-UHFFFAOYSA-N	197.282	1.953	50	20	ADGD	
CCC(=O)NN=C(C)c1ccncc1	915916927	WZSRRODQJNJAIL-UHFFFAOYSA-N	191.234	1.332	50	20	ADGD	
O=Cc1ccc(C(=O)F)cc1	220565460	QFIWHCBJMCWPTL-UHFFFAOYSA-N	152.124	1.609	50	20	ADGD	
CCC(=O)NCC(Cl)Cl	225726110	YALZEZGBUDADHX-UHFFFAOYSA-N	170.039	1.316	50	20	ADGD	
CCC(=O)NN=C(C)c1ccccc1	254750620	DZYFXFBPLAGLPZ-UHFFFAOYSA-N	190.246	1.937	50	20	ADGD	
C/C=C\C(=O)NCCSSC	378928047	UOMUYGXOUAVVBF-ARJAWSKDSA-N	191.321	1.690	50	20	ADGD	
C[C@@H]1CCCCC1=NN(C)C(N)=O	379410696	GPVRRNLEDMXXSJ-SSDOTTSWSA-N	183.255	1.563	50	20	ADGD	
CC(=O)NN=C1CCS[C@H]1C	393485927	KXXJGACUWISHFH-YFKPBYRVSA-N	172.253	1.004	50	20	ADGD	
O=C(NN=CC1CC1)c1ccncc1	755463856	MZNBNKMRPPVEKN-UHFFFAOYSA-N	189.218	1.207	50	20	ADGD	
C[C@@H](CC(=O)NN)c1ccccc1F	825644939	KSKWAOWUOHJZCJ-ZETCQYMHSA-N	196.225	1.309	50	20	ADGD	
C/C=C(/C#N)CC	38880811	ZJPQPBRWBXBMRY-ZZXKWVIFSA-N	95.145	1.866	50	20	ADGD	
Cc1nn(C)cc1CBr	128225592	PKYQDXKJTOJXGJ-UHFFFAOYSA-N	189.056	1.623	50	20	ADGD	
CC(=O)NN=C[C@@H]1CCCC[C@@H]1C	308279629	WMKZOSCIHMCASO-WPRPVWTQSA-N	182.267	1.935	50	20	ADGD	
C[C@H]1CCC(=NNC(=O)N(C)C)C1	382148938	OWSLXICWINBEIA-ZETCQYMHSA-N	183.255	1.434	50	20	ADGD	
CCCC=NNC(=O)c1cccn1C	755613906	UBROQAVPAXVHJU-UHFFFAOYSA-N	193.250	1.541	50	20	ADGD	
CCOC(=O)NN=C[C@@H](C)CCC#N	765991586	CBSCPSBHUQFWEY-QMMMGPOBSA-N	197.238	1.658	50	20	ADGD	
N#CC1=CCN(C(=O)C2CCC2)CC1	767158244	UZVMWCWLAJYJEI-UHFFFAOYSA-N	190.246	1.469	50	20	ADGD	
CC1(C)[C@H]2CC[C@@]1(N=C=O)C(=O)C2	205093677	QCOJGABFMOESIX-OIBJUYFYSA-N	179.219	1.470	50	20	ADGD	
C[S@@](=O)CCCCBr	307383619	CNLFAIKRXWFPEM-MRVPVSSYSA-N	199.113	1.540	50	20	ADGD	
CCC(C)=NNC(=O)C(C)(C)C	307953968	QADZOSDYJNZLMK-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
COCC[C@H](F)CBr	585142527	IXJFDPSXYVCSCO-YFKPBYRVSA-N	185.036	1.756	50	20	ADGD	
CC(=NN(C)C(N)=O)c1occc1C	767901617	VTGYGQNVDBCKGY-UHFFFAOYSA-N	195.222	1.323	50	20	ADGD	
CN(N=C1CCC2(CC1)CC2)C(N)=O	792635818	WUSYCSVVIRZYOZ-UHFFFAOYSA-N	195.266	1.707	50	20	ADGD	
CNC(=O)NN=C1CCCCC[C@H]1C	844577913	KQQYTWCQZWGNAW-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
CC[C@@H](Cl)C(=O)N1CCCC1	50984593	IBUSCXMNFKPWMP-SSDOTTSWSA-N	175.659	1.626	50	20	ADGD	
C=CC[C@@H](C)NC(=O)CCl	135281379	MDLVAJZAJACEGG-ZCFIWIBFSA-N	161.632	1.306	50	20	ADGD	
COCCC(C)=NN(C)C(=O)OC	378865377	ZEXUXJZVDXMXIO-UHFFFAOYSA-N	188.227	1.097	50	20	ADGD	
COC(=O)NN=C(C(C)C)C1CC1	393717630	YSUQTHSNRIRQPH-UHFFFAOYSA-N	184.239	1.764	50	20	ADGD	
CC[C@H]1C[C@H](C)CCC1=NNC(N)=O	769566769	JNMAYUGJTMLWEU-SFYZADRCSA-N	197.282	1.857	50	20	ADGD	
CCCNC(=O)NN=C1CC(C)(C)C1	814819967	VONQUNFKRGPQTK-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
COC(=O)N(C)N=C1CCC[C@@H]2C[C@H]12	841636306	JZVPBQIDIVHETP-SFYZADRCSA-N	196.250	1.861	50	20	ADGD	
CCOC1CCC(=NNC(C)=O)CC1	853257706	JYLUQSAHXPALSA-UHFFFAOYSA-N	198.266	1.458	50	20	ADGD	
CC(=NNC(=O)C1CC1)C(F)(F)F	308341585	RGDRXKMPCUYUET-UHFFFAOYSA-N	194.156	1.451	50	20	ADGD	
CC[C@@H](Cl)C(=O)N1CC[C@@H](F)C1	409424700	XMTGIIICQSDVSC-RNFRBKRXSA-N	193.649	1.574	50	20	ADGD	
CC(=NNC(N)=O)C1CCCCC1	245265765	HVNKFOLPFVMTAG-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
O=C=NCCc1cc(C2CC2)on1	716306146	JJQDUNLMRKCIPF-UHFFFAOYSA-N	178.191	1.430	50	20	ADGD	
CNC(=O)NN=C(C)CC(C)(C)C#N	853291405	AUKDNPQQEIHYBW-UHFFFAOYSA-N	196.254	1.231	50	20	ADGD	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(C)N	1573636260	NLDALJJYRXDLIO-BGZDPUMWSA-N	182.267	1.001	50	20	ADGD	
CC(C)[C@H](C(=O)NN)c1ccccc1	116569352	COZLABAPFXHHEV-JTQLQIEISA-N	192.262	1.416	50	20	ADGD	
C[C@H]1CCC[C@@H](C=NNC(N)=O)C1	252677002	PPKHICXCXWLUSJ-JGVFFNPUSA-N	183.255	1.467	50	20	ADGD	
C[C@@H]1CC(C)(C)CCC1=NNC(N)=O	252677158	UIEMHAVEQUVANX-SSDOTTSWSA-N	197.282	1.857	50	20	ADGD	
CN(N=C1CCCCCC1)C(N)=O	306380687	OIMPHCVHHQWPIR-UHFFFAOYSA-N	183.255	1.707	50	20	ADGD	
CC(=NN(C)C(N)=O)c1ccco1	308501204	WWVMTPKQMTUMOO-UHFFFAOYSA-N	181.195	1.014	50	20	ADGD	
COC(=O)NN=C1CSC[C@H]1C	379332862	IFQKENSIYYGPMA-RXMQYKEDSA-N	188.252	1.081	50	20	ADGD	
COC(=O)NN=CCCCSC	382110031	JZGCLEVDYMGUQU-UHFFFAOYSA-N	190.268	1.471	50	20	ADGD	
C#CC(=O)NNc1c(C)cccc1F	771707265	NADCDYPPTAMSBU-UHFFFAOYSA-N	192.193	1.210	50	20	ADGD	
CN(NC(=O)C1CCCC1)C1CC1	819642917	RCARREOBRSBWCP-UHFFFAOYSA-N	182.267	1.302	50	20	ADGD	
CC(=O)NN=C1C[C@H](C)CC[C@H]1C	834919480	VEIBPRCGCWZRCN-HTQZYQBOSA-N	182.267	1.935	50	20	ADGD	
Cc1nnc(CCCl)o1	35658472	DTGXMWFBBZSRTP-UHFFFAOYSA-N	146.577	1.159	50	20	ADGD	
CN(C)[C@@H]1CCCN(C(=O)Cl)C1	86894441	OBPZZTCIZAXLBV-SSDOTTSWSA-N	190.674	1.371	50	20	ADGD	
CC[C@H](C)C(=O)NN=C(C)COC	308311248	RMMDADQHEARRGH-ZETCQYMHSA-N	186.255	1.171	50	20	ADGD	
CNC(=O)NN=C(C)C1CCCC1	379411643	IQUYXBUQZDGMON-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CCCCC[C@@H](C)CC(=O)NN	308396582	FADJVAOAOUKBJS-MRVPVSSYSA-N	172.272	1.583	50	20	ADGD	
CO[C@H](C)C(C)=NNC(=O)C(C)C	379367924	WGXNZOKPQQUJED-MRVPVSSYSA-N	186.255	1.169	50	20	ADGD	
C[C@@H]1CCCC1=NNC(=O)O	736777325	AUUNDFAJHWUZAL-RXMQYKEDSA-N	156.185	1.430	50	20	ADGD	
CCC(=O)NN=C1C[C@@H](C)O[C@@H]1C	834920383	KBSIIXKGDZXRNQ-RNFRBKRXSA-N	184.239	1.066	50	20	ADGD	
CCC1(C(=O)NN)CCCCC1	258994260	LSMOMRPWNIFOGI-UHFFFAOYSA-N	170.256	1.337	50	20	ADGD	
CC(C)=CCCC(C)=NNC(N)=O	385964097	FVRCTJKHYCYGLN-UHFFFAOYSA-N	183.255	1.777	50	20	ADGD	
CC(C)[C@H]1[C@@H](C=O)[C@@H]1Cl	536956427	WYSABFBUCNPOJB-VQVTYTSYSA-N	146.617	1.695	50	20	ADGD	
COC(=O)NN=Cc1ccc(C)cn1	761794642	SIIFLPSTPVGKHS-UHFFFAOYSA-N	193.206	1.080	50	20	ADGD	
COC(=O)NN=CCC(F)(F)F	817322267	QHEREGXDPQDPFD-UHFFFAOYSA-N	184.117	1.281	50	20	ADGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NN	825652524	VWAOYJVYOKCQSN-NKWVEPMBSA-N	196.275	1.150	50	20	ADGD	
CCn1cccc1C=NNC(=O)OC	834919638	YTKDPUBWYRQFBU-UHFFFAOYSA-N	195.222	1.198	50	20	ADGD	
CC(=O)NN=C1[C@@H]2CCC[C@@H]2C1(C)C	853257544	FIGPGVHHEMSOFY-BDAKNGLRSA-N	194.278	1.935	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)c1cc[nH]n1	853392382	OAOZUWKECJWBFU-SSDOTTSWSA-N	194.238	1.171	50	20	ADGD	
Cc1ccccc1/C=C(\C#N)C(=O)O	22221741	ACBYSKAQFAAWKH-UXBLZVDNSA-N	187.198	1.987	50	20	ADGD	
CC(=NNC(=O)N(C)C)C(C)C	379323123	NVYUSOUUVVPJQM-UHFFFAOYSA-N	171.244	1.290	50	20	ADGD	
CC[C@@H](Cl)C(=O)N1CC[C@H](F)C1	409424699	XMTGIIICQSDVSC-NKWVEPMBSA-N	193.649	1.574	50	20	ADGD	
CCNC(=O)NN=C1CCCC1(C)C	749857702	FNSUMKBVJYKOTI-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC(C)(O)CCN1CC=C(C#N)CC1	779587562	OYYINSJOTPGKIY-UHFFFAOYSA-N	194.278	1.303	50	20	ADGD	
CN(NC(=O)CCC1CCC1)C1CC1	819648571	JFDFQOFQLVLUSI-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
CCCC=NNC(=O)[C@H]1CCO[C@H]1C	842561730	MOZWYPQXWTXIEK-IUCAKERBSA-N	198.266	1.314	50	20	ADGD	
CC1(C)CCC[C@@H]1NC(=O)CCl	86875689	YTUMGHPBKSWGHN-ZETCQYMHSA-N	189.686	1.920	50	20	ADGD	
N#C/C(=C/c1cccc(F)c1)C(=O)O	199727965	CYDCDJFVROSQIZ-YWEYNIOJSA-N	191.161	1.817	50	20	ADGD	
O=[S@@](Cl)CC1CCC1	307614911	NXUIBRSXADXZFT-MRVPVSSYSA-N	152.646	1.689	50	20	ADGD	
C[C@@H]1CCCC[C@@H]1C=NNC(N)=O	308011900	KSELZLBOWUSOHV-HTQZYQBOSA-N	183.255	1.467	50	20	ADGD	
CCc1ccc(C=NNC(=O)OC)o1	760226551	VPOASLZHBOGYLS-UHFFFAOYSA-N	196.206	1.532	50	20	ADGD	
C[C@@H]1COCCN(C(=O)Cl)C1	306963210	HMHLEBKWHNFUHJ-LURJTMIESA-N	177.631	1.314	50	20	ADGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(N)=O	773180342	PGYUAFLTIFZWJC-BDAKNGLRSA-N	195.266	1.633	50	20	ADGD	
N#CC1=CCN(C(=O)OCCF)CC1	859099156	HLOSOOUTKBPVPB-UHFFFAOYSA-N	198.197	1.248	50	20	ADGD	
COC[C@@]1(CCl)CCCO1	306368051	KINVJBQQXIEPDN-ZETCQYMHSA-N	164.632	1.421	50	20	ADGD	
CCC(C)=NNC(=O)c1cccn1C	725846019	QHWNFDSGDUEHTR-UHFFFAOYSA-N	193.250	1.541	50	20	ADGD	
C=CCCC(=O)NN(C)C1CC1	819648193	YOTAGCCCEXDEDZ-UHFFFAOYSA-N	168.240	1.078	50	20	ADGD	
CC[C@@H](C)CC(=O)NN(C)C1CC1	819651863	WGGIPTWRXNHOIR-MRVPVSSYSA-N	184.283	1.548	50	20	ADGD	
O=C[C@@H](Cl)CC1CCOCC1	1857777169	RGYIUXKWPUBUAF-QMMMGPOBSA-N	176.643	1.609	50	20	ADGD	
ClCCCO[C@@H]1CCOC1	82453576	LSAFNCGWERCBLB-SSDOTTSWSA-N	164.632	1.421	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)NCC1CC1	758374940	LHIDRHMVGQCJQD-IONNQARKSA-N	195.266	1.337	50	20	ADGD	
CNC(=O)NN=Cc1ccccc1C	920379243	RKUJHYIDYCPLNP-UHFFFAOYSA-N	191.234	1.258	50	20	ADGD	
N#CC1=CCN(CC2CCC2)CC1	307582602	VRIFMZFYISVBIJ-UHFFFAOYSA-N	176.263	1.942	50	20	ADGD	
CC(C)C(=O)NN=C1CCC[C@H]1C	308135433	DXYKNGLKRWCXBC-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
CC[C@@H](O)CNCCSSC	397783905	PTGYITMOMSZFAX-SSDOTTSWSA-N	195.353	1.358	50	20	ADGD	
CCOCC(=O)NN=C(C)C1CCC1	747631495	OYMFQXMHIMWDGV-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CC(C)(C)CC=NNC(=O)O	833429307	IRPSFCQPQICGCN-UHFFFAOYSA-N	158.201	1.676	50	20	ADGD	
CC(C)N1C[C@H](CCl)OC1=O	39373590	DWJWWWPFIONTMT-LURJTMIESA-N	177.631	1.454	50	20	ADGD	
CN(N)C(=O)CCC1CCCC1	258944263	CWPLXOICKYEBPX-UHFFFAOYSA-N	170.256	1.289	50	20	ADGD	
CNC(=O)NN=C1CC(C)(C)C1	307362909	GYLWMYGJHVEZAD-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
CCN(C[C@@H](C)OC)C(=O)CCl	383320176	JKMDLLYJFUDNMW-SSDOTTSWSA-N	193.674	1.109	50	20	ADGD	
CC(=O)NN=C[C@@H]1CC=CCC1	388411334	XWDHLVZHBYFKCQ-SECBINFHSA-N	166.224	1.465	50	20	ADGD	
C=CCCC(CC)=NNC(=O)COC	761815850	ATMQIULBMKPDMN-UHFFFAOYSA-N	198.266	1.481	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1CCCC[C@H]1F	840731565	XPTYJWIQWSLVMT-NXEZZACHSA-N	193.225	1.788	50	20	ADGD	
CC[C@H]1CCCC[C@@H]1NC(=O)NN	42583109	RGBQDQYEIITAJS-YUMQZZPRSA-N	185.271	1.128	50	20	ADGD	
C[C@H](CCC(C)(C)C)NC(=O)NN	395223429	TXCPLPDZZDCUHV-SSDOTTSWSA-N	187.287	1.374	50	20	ADGD	
C[C@H](Cc1cc(C2CC2)on1)N=C=O	716321550	YQQLXXQDKKOSNB-SSDOTTSWSA-N	192.218	1.819	50	20	ADGD	
N#CC(C#N)=CNC12CCC(CC1)C2	783688757	OVYOSTQCAPMBJY-UHFFFAOYSA-N	187.246	1.840	50	20	ADGD	
CC(C[C@@H]1CCOC1)=NNC(=O)O	824769377	UHDKIAWSEJFYOY-ZETCQYMHSA-N	186.211	1.057	50	20	ADGD	
CCn1cc(CCl)c(C)n1	85017975	PIRAATRDZLYSOG-UHFFFAOYSA-N	158.632	1.950	50	20	ADGD	
CC(C)[C@H]1CCCCC1=NNC(N)=O	252888879	BSLWELFQMBBIHA-MRVPVSSYSA-N	197.282	1.857	50	20	ADGD	
CC(=O)NN=Cc1ccc(C#N)s1	308138325	GSBOKYWUMFLBHT-UHFFFAOYSA-N	193.231	1.090	50	20	ADGD	
CC(C)(F)C(=O)NNc1ccccc1	768290355	GXEKQKXYAJOBJW-UHFFFAOYSA-N	196.225	1.878	50	20	ADGD	
CC(=O)NN=C1CC[C@H](C)C[C@H]1C	308280265	WTIGJGZYQLDQHN-JGVFFNPUSA-N	182.267	1.935	50	20	ADGD	
CCNC(=O)NN=C1C=C(C)CCC1	727255493	OUGRWCQUYHDAEP-UHFFFAOYSA-N	195.266	1.792	50	20	ADGD	
C=C1C[C@@H]1CBr	141925466	GUGHXFXTQNBMGW-RXMQYKEDSA-N	147.015	1.957	50	20	ADGD	
CC(C)=CCNS(=O)(=O)CCl	229357457	QOPZEWVNAPMWNB-UHFFFAOYSA-N	197.687	1.068	50	20	ADGD	
CCC(=O)NN=C1CSC[C@H]1C	308003076	BWDDARLONQIBLP-ZCFIWIBFSA-N	186.280	1.252	50	20	ADGD	
CC(=O)NN=C1CC(C)(C)C[C@@H]1C	308311999	RXYOOEDZEAKESO-ZETCQYMHSA-N	182.267	1.935	50	20	ADGD	
N#C/C=C1\C(=O)Nc2ccccc21	4566788	YLSUPMWMHFXGHW-YVMONPNESA-N	170.171	1.546	50	20	ADGD	
O=c1sccn1CCCCCl	70914372	LXSRBHGQLIDRHD-UHFFFAOYSA-N	191.683	1.929	50	20	ADGD	
CCN(C(C)C)S(=O)(=O)CCl	82512403	WPIIVHOPWPWPIW-UHFFFAOYSA-N	199.703	1.243	50	20	ADGD	
CC(=O)NNc1ccc(F)cc1F	306525356	PVCJIZHBWCULJM-UHFFFAOYSA-N	186.161	1.428	50	20	ADGD	
COC(=O)NN=C(C)C(C)C	379240115	WFQPMTDNAHAJGB-UHFFFAOYSA-N	158.201	1.374	50	20	ADGD	
N#CCCCCNC=C(C#N)C#N	388248178	USHKAMRGLQKUII-UHFFFAOYSA-N	174.207	1.201	50	20	ADGD	
CC(=O)NN=Cc1cccc(C)c1C	731149128	KBQCQUKAHSUZQV-UHFFFAOYSA-N	190.246	1.773	50	20	ADGD	
CCC(=NNC(=O)C1CC1)[C@@H]1C[C@@H]1C	841605044	OKLXJQWZGYXXNV-IONNQARKSA-N	194.278	1.935	50	20	ADGD	
Cc1cccc(NNC(=O)C(C)C)n1	862524495	MLVSFHQFDPWLLR-UHFFFAOYSA-N	193.250	1.489	50	20	ADGD	
CC(C)C[C@@H](CN)[C@H](Cl)C(=O)O	2048531839	IILCRAGSRBCOQJ-BQBZGAKWSA-N	193.674	1.299	50	20	ADGD	
CC(C)CN1C[C@@H](CCl)OC1=O	306267666	IXBURHCJBXFWLB-SSDOTTSWSA-N	191.658	1.702	50	20	ADGD	
C[C@@H]1C[C@@H]1C=NNC(=O)C(C)(C)C	379408762	BOANTKQRUNACEU-HTQZYQBOSA-N	182.267	1.791	50	20	ADGD	
CCCCC=NNC(=O)C(C)C	388507368	PMKAZDZXJWYFNF-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
C#CC1CCC(=NNC(=O)NC)CC1	853292534	SQOVYJDNFAKEKL-UHFFFAOYSA-N	193.250	1.095	50	20	ADGD	
CC1(C)CCC(CNC(=O)NN)CC1	307523773	ZMARXWHJDBOBPX-UHFFFAOYSA-N	199.298	1.376	50	20	ADGD	
N#CC(C#N)=CNC1CC(F)(F)C1	307682364	RHLVVVIYSPXNSE-UHFFFAOYSA-N	183.161	1.305	50	20	ADGD	
O=C(CCl)CC(F)(F)F	83137816	FEJLGVYDLXQEEV-UHFFFAOYSA-N	160.522	1.747	50	20	ADGD	
CC(C)[C@@H](N)CCl	104689005	STATXSIYIAALDP-YFKPBYRVSA-N	121.611	1.209	50	20	ADGD	
ClC[C@@H]1CO[C@@]2(CCSC2)O1	134963745	UBGFHTBQKPMMNL-RQJHMYQMSA-N	194.683	1.474	50	20	ADGD	
CCC(=O)NN=Cc1ccc(C)o1	256004704	UNIVBVAXQHWWTP-UHFFFAOYSA-N	180.207	1.448	50	20	ADGD	
CC(C)CN1CC=C(C#N)CC1	259116665	GWCQCTUNAYLOKP-UHFFFAOYSA-N	164.252	1.798	50	20	ADGD	
CC(C)C=NNC(=O)CC(F)(F)F	379409463	CZFYDUNCJMEJEC-UHFFFAOYSA-N	196.172	1.697	50	20	ADGD	
CC(C)C[C@@H](C)C=NNC(=O)N(C)C	799110210	QNUXMAZBWUKFBP-SECBINFHSA-N	199.298	1.926	50	20	ADGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NN	841818822	CGWJBWLYKGHXTM-DTWKUNHWSA-N	199.298	1.376	50	20	ADGD	
CN(C[C@H]1CCCN1C)C(=O)Cl	82390193	CJIXXVNHPUEERU-SSDOTTSWSA-N	190.674	1.371	50	20	ADGD	
N#CC1=CCN(CCC2CC2)CC1	307272478	JFXGXDLCNJLSAH-UHFFFAOYSA-N	176.263	1.942	50	20	ADGD	
CCCCCC(C)=NNC(=O)NC	308378285	TZPZCJPRAVXQIY-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
CCN(CC(F)F)C(=O)CCl	385897238	QKOVJLSYPFAWOY-UHFFFAOYSA-N	185.601	1.339	50	20	ADGD	
CC(CCCO)=NNC(=O)C1CCC1	814846984	VVNUJODNFCDXAG-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CC(C)[C@]1(C)C[C@@H]1NC=C(C#N)C#N	840731410	ZEMVTIHJIWCLTK-QWRGUYRKSA-N	189.262	1.942	50	20	ADGD	
CCOC(=O)NN=CC(C)C	307934289	WXICPNWDHKYIKH-UHFFFAOYSA-N	158.201	1.374	50	20	ADGD	
C/C=C\C(=O)N1CC=C(C#N)CC1	308316272	VQHUKRHDEICWFA-IHWYPQMZSA-N	176.219	1.245	50	20	ADGD	
CCOC(=O)NN=C1CCC[C@@H]1C	308423964	PZIOFQFPOJDUQP-ZETCQYMHSA-N	184.239	1.909	50	20	ADGD	
CCCCC(C)=NNC(=O)N(C)C	379409633	DICWPAYSBIGMJZ-UHFFFAOYSA-N	185.271	1.824	50	20	ADGD	
CCc1nc(C)cn1C/C=C/C#N	865393475	XIDNSXGHHCDZCM-SNAWJCMRSA-N	175.235	1.834	50	20	ADGD	
CC(C)(C)O[C@H]1CC(=O)[C@@H]1Cl	96034601	IKYZTHDJRYGEJQ-BQBZGAKWSA-N	176.643	1.750	50	20	ADGD	in-vitro
CCNC(=O)NN=CC1CCCC1	388812345	RJLBMYJTDOSAHA-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
N#CC(C#N)=CN[C@@H]1C[C@H]1C1CCC1	818997199	URHOIPWDWBWOAC-WDEREUQCSA-N	187.246	1.696	50	20	ADGD	
CCCNC(=O)NN=CC(C)C	379326283	HFJNUTFETPCUIU-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
COCC(=O)NN=C1CCCC1(C)C	761821837	OZHSGWFZXUFNKB-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C[C@@H]1CO[C@H](CBr)C1	536957346	FRHOXLPOYYYOPC-WDSKDSINSA-N	179.057	1.806	50	20	ADGD	
CN(N=C1CCCC12CCC2)C(N)=O	834967383	BKBHRRUAARLENT-UHFFFAOYSA-N	195.266	1.707	50	20	ADGD	
CCC(C)=NNC(=O)c1ccncc1	916243263	UMHYTZJVAPHHLZ-UHFFFAOYSA-N	191.234	1.597	50	20	ADGD	
CCCCOCCNC=C(C#N)C#N	921294974	FZBKOTXXSFHMDH-UHFFFAOYSA-N	193.250	1.324	50	20	ADGD	
Cc1n[nH]cc1CCl	70705920	SELOPDBJJBJUER-UHFFFAOYSA-N	130.578	1.457	50	20	ADGD	
C[C@@H]1CCC[C@@H](C=NNC(N)=O)C1	252677001	PPKHICXCXWLUSJ-HTQZYQBOSA-N	183.255	1.467	50	20	ADGD	
COC[C@@H](C)N1CC=C(C#N)CC1	306214463	XIFZSRJPXSCOQJ-SECBINFHSA-N	180.251	1.177	50	20	ADGD	
C[C@@H](N(C)C(=O)CCl)C1(C)CC1	308067461	ZIGZTSQFWKABFR-SSDOTTSWSA-N	189.686	1.872	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)C(C)(C)C	379408765	BOANTKQRUNACEU-YUMQZZPRSA-N	182.267	1.791	50	20	ADGD	
CCCC(CC)=NNC(=O)CCO	379410679	GOQGOHHGLPXYFQ-UHFFFAOYSA-N	186.255	1.051	50	20	ADGD	
CC(C)[C@@H]1CCCCC1=NNC(N)=O	252888880	BSLWELFQMBBIHA-QMMMGPOBSA-N	197.282	1.857	50	20	ADGD	
COC(=O)NN=Cc1cc(C)oc1C	767894071	WIDYGNMRPIVDCU-UHFFFAOYSA-N	196.206	1.586	50	20	ADGD	
CC(C)[C@@]1(C)C[C@H]1NC=C(C#N)C#N	840731406	ZEMVTIHJIWCLTK-GHMZBOCLSA-N	189.262	1.942	50	20	ADGD	
C[S@@](=O)CCCCCl	104731499	HJVWKFAXJLSSAW-QMMMGPOBSA-N	154.662	1.384	50	20	ADGD	
CC(C)(CNC(=O)NN)C1CCCC1	258767376	NRHOLYIGMHUESS-UHFFFAOYSA-N	199.298	1.376	50	20	ADGD	
CCC(C)=NNC(=O)[C@H]1CCCCO1	834990600	TUFMRLXDWMDSGI-SECBINFHSA-N	198.266	1.458	50	20	ADGD	
COC(=O)NN=Cc1ccoc1C	841603348	BKUMKDJRAHRXKN-UHFFFAOYSA-N	182.179	1.278	50	20	ADGD	
CC[C@@H](C)c1ccc(C(=O)NN)cc1	75851313	WRIDJZVIFIWVID-MRVPVSSYSA-N	192.262	1.804	50	20	ADGD	
COC[C@]1(CCl)CCOC1	163518492	BFXNFZRWINQKFD-SSDOTTSWSA-N	164.632	1.278	50	20	ADGD	
Cc1nnc(SC/C=C/C#N)[nH]1	307760756	WVNXTELCTJEGHH-NSCUHMNNSA-N	180.236	1.285	50	20	ADGD	
CSSCCNC(=O)C1CC1	307923704	OAVVJQDNUBNKQZ-UHFFFAOYSA-N	191.321	1.524	50	20	ADGD	
CCC(=NNC(=O)C(C)C)C1CC1	308317367	WJAKSUQYPRJGHG-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
C[C@H](Cl)[S@@](=O)Cl	196534069	QTHCWFBWPNLYHS-GESIXKRJSA-N	147.026	1.474	50	20	ADGD	
CC(C)CC(=O)NN=C1CC(C)C1	307700495	QHYIGXAGNBRFSC-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
C#CCCN1CC=C(C#N)CC1	307752853	UBJGRZVPIZZOMT-UHFFFAOYSA-N	160.220	1.165	50	20	ADGD	
CCC(=O)NN=C1CC[C@H](C)C1	393509736	XJRGDVBMSJDSCH-ZETCQYMHSA-N	168.240	1.689	50	20	ADGD	
CC(C)NC(=O)NN=Cc1ccc[nH]1	745013399	YANFSDYXARFPAE-UHFFFAOYSA-N	194.238	1.056	50	20	ADGD	
CCC(COC)=NNC(=O)CC1CC1	814987474	QQUDDYKLEQHXMO-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CN(NC(=O)c1ccco1)C1CC1	819642676	OPNDULRDEMZKJB-UHFFFAOYSA-N	180.207	1.019	50	20	ADGD	
CC(C)[C@@H](C#N)C=NNC(=O)C1CC1	1319613142	PTNIWRJHOOFPIW-VIFPVBQESA-N	193.250	1.294	50	20	ADGD	
ClCC=C1CCOCC1	1898225765	RVDTZOLKDXDIBQ-UHFFFAOYSA-N	146.617	1.962	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CC[C@@H](CF)C1	409428317	MDVWXUYHWZCESR-RQJHMYQMSA-N	193.649	1.432	50	20	ADGD	
COCC[C@@H](F)CBr	585142526	IXJFDPSXYVCSCO-RXMQYKEDSA-N	185.036	1.756	50	20	ADGD	
CN(N)C(=O)[C@H]1CCCC2(CC2)C1	704635148	JXAXDQNEIFTVOI-QMMMGPOBSA-N	182.267	1.289	50	20	ADGD	
C[C@@H]1CC(C)(C)CC1=NN(C)C(N)=O	766028503	BOZUAMJHTFKYRD-SSDOTTSWSA-N	197.282	1.809	50	20	ADGD	
CNC(=O)NN=C1CC[C@H](C)[C@H](C)C1	767371469	ZLWIYKGRSPNVRE-JGVFFNPUSA-N	197.282	1.728	50	20	ADGD	
COC(=O)C/C=C/CBr	39280797	YTBXNIPJPAPVPW-NSCUHMNNSA-N	193.040	1.501	50	20	ADGD	
C[C@@H](NC=C(C#N)C#N)C1CC1	306598235	XFOAIUVHGVFPPC-SSDOTTSWSA-N	161.208	1.306	50	20	ADGD	
COCc1ccc(C=C(C#N)C#N)o1	307577759	QDUBMQVRVUZONL-UHFFFAOYSA-N	188.186	1.857	50	20	ADGD	
NC(=O)NN=C1CCC[C@H]1CCF	308199656	WTSUGSDYAORQAH-LURJTMIESA-N	187.218	1.170	50	20	ADGD	
C=CCCCC(=O)NNC(=O)C(C)C	748287950	XLBKGNANZLOGQU-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
O=C(NN=C1CCC[C@H]1F)C(F)F	872365443	RDJWQUHJZYQGKS-SCSAIBSYSA-N	194.156	1.246	50	20	ADGD	
C/C(C#N)=C/CS[C@H](C)C(=O)O	1603129273	CUUSPQCFFLIPLC-FXHNIGACSA-N	185.248	1.663	50	20	ADGD	
NNC(=O)NCC1CCCCCC1	306759720	VOOJDJXHCKPFNM-UHFFFAOYSA-N	185.271	1.130	50	20	ADGD	
COc1cc(F)ccc1NNC(C)=O	788191645	UYXWQVIEYADOMJ-UHFFFAOYSA-N	198.197	1.297	50	20	ADGD	
CCCSCC(C)=NNC(C)=O	901123347	KKLPQMKIDKLJEX-UHFFFAOYSA-N	188.296	1.642	50	20	ADGD	
C[C@H]1CCCC[C@H]1CC(=O)NN	306275712	RCDJRDQPLZVCJE-YUMQZZPRSA-N	170.256	1.193	50	20	ADGD	
O=C(NN=C1CCSCC1)C1CC1	306421986	AHHUALCCGHHSNU-UHFFFAOYSA-N	198.291	1.396	50	20	ADGD	
O=CC1(CCCl)CCOCC1	307153054	ZNFOQZDWWGJYBU-UHFFFAOYSA-N	176.643	1.611	50	20	ADGD	
CNC(=O)NN=Cc1ccsc1	307965453	BMARPMRRYCLPMM-UHFFFAOYSA-N	183.236	1.011	50	20	ADGD	
Cc1ccc(CCCC(=O)NN)s1	825652139	OXWCZHBICNVUFV-UHFFFAOYSA-N	198.291	1.369	50	20	ADGD	
CC[C@H]1COCC1=NNC(=O)C(C)C	853273582	PNCNZKZEJLIQOH-QMMMGPOBSA-N	198.266	1.171	50	20	ADGD	
ClC[C@H]1CO[C@@]2(CCCOC2)O1	134962039	RVCXRFRBXHZULG-YUMQZZPRSA-N	192.642	1.147	50	20	ADGD	
CC(C)[C@@H]1CCCC1=NNC(N)=O	308005635	CIEYTHRIYPFMHZ-ZETCQYMHSA-N	183.255	1.467	50	20	ADGD	
CCC(=O)NN=C(COC)C(C)C	379405164	SRGQCZZLTARTFQ-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
C=CCCn1cc(C(=O)CCl)cn1	585142970	KWVIZKMCVKCCEL-UHFFFAOYSA-N	198.653	1.881	50	20	ADGD	
COC(=O)NN=Cc1ccc(C)nc1	764884151	CANVRHKLFVRCPE-UHFFFAOYSA-N	193.206	1.080	50	20	ADGD	
COC(=O)NN=Cc1ncc(C)s1	834918628	ABCQFUFGQFTJGE-UHFFFAOYSA-N	199.235	1.141	50	20	ADGD	
CC(=O)NN=C1C[C@H](C)CC[C@@H]1C	834919483	VEIBPRCGCWZRCN-SFYZADRCSA-N	182.267	1.935	50	20	ADGD	
O=C(CCl)N1Cc2cccnc2C1	1350354638	PMMUAHKDEVDDCJ-UHFFFAOYSA-N	196.637	1.163	50	20	ADGD	
CCCO[C@@H](C)Cl	39222601	IMULTGIDITYKPB-YFKPBYRVSA-N	122.595	1.998	50	20	ADGD	
COC[C@H](C)N1CC=C(C#N)CC1	306214464	XIFZSRJPXSCOQJ-VIFPVBQESA-N	180.251	1.177	50	20	ADGD	
CCC(=O)NN=Cc1cc(C)ns1	308293529	IWCINZYVKBVTLC-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CCC(=NNC(N)=O)[C@@H]1CC1(C)C	397653674	FKLKPRPFSPCBBZ-LURJTMIESA-N	183.255	1.467	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@@H]1F	872345873	WMEKNNBXWCVSPM-LURJTMIESA-N	187.218	1.184	50	20	ADGD	
CCNC(=O)NN=C1CCCC[C@@H]1C	920827351	JKXAHEKDHXCBDG-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
CC(=O)Nc1ncc(CCl)s1	104470652	LAPWQPYYMGKHNZ-UHFFFAOYSA-N	190.655	1.840	50	20	ADGD	
Cn1ccnc1SC/C=C\C#N	308093457	VXOGHWOQGJSIHI-IHWYPQMZSA-N	179.248	1.592	50	20	ADGD	
C[C@H]1CCCCC1=NNC(=O)N(C)C	745605751	ZSRVYGFHCJHJJG-QMMMGPOBSA-N	197.282	1.824	50	20	ADGD	
CC(=O)NNc1ccccc1C	269157	MSQSYVUICNFIBI-UHFFFAOYSA-N	164.208	1.458	50	20	ADGD	
NNC(=O)[C@@H]1CCCc2sccc21	168290689	WRKYKMAQDFNKDO-SSDOTTSWSA-N	196.275	1.158	50	20	ADGD	
C[C@@H]1C[C@H](NC=C(C#N)C#N)CS1	840730744	TXWINOITNGJQLT-APPZFPTMSA-N	193.275	1.401	50	20	ADGD	
CCC[C@@H](NC(=O)NN)C1CCCC1	841916328	USBVNWOWVBJIKK-SECBINFHSA-N	199.298	1.518	50	20	ADGD	
CCC(C)=NNC(=O)[C@H]1CCO[C@H]1C	842554481	LOOAVUCWFDKYPJ-IUCAKERBSA-N	198.266	1.314	50	20	ADGD	
CC[C@H](F)C(=O)N1CC=C(C#N)CC1	1337152270	UKAVFJVWXDCZON-VIFPVBQESA-N	196.225	1.417	50	20	ADGD	
CC[C@H](C)[C@H](C)NC(=O)CCl	42557771	IQXTUZCPBRPMNW-BQBZGAKWSA-N	177.675	1.776	50	20	ADGD	
CC(C)n1cc(C=NNC(=O)O)cn1	736532726	LXQFMPJHXBLVDX-UHFFFAOYSA-N	196.210	1.066	50	20	ADGD	
CCC1CCC(=NNC(=O)NC)CC1	920378989	KMCVRIQJJNVMPH-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC(C)(C)O[C@@H]1CC(=O)[C@@H]1Cl	96034600	IKYZTHDJRYGEJQ-RQJHMYQMSA-N	176.643	1.750	50	20	ADGD	in-vitro
O=[S@@](Cl)C1CCCC1	306788927	SHAJKLLYTUJIOY-MRVPVSSYSA-N	152.646	1.832	50	20	ADGD	
C#C[C@@]1(O)CCCC[C@@H]1Cl	4794470	AHKHTUCIZISCAB-JGVFFNPUSA-N	158.628	1.532	50	20	ADGD	
CCOCCCCNC(=O)CCl	41715422	ACXCKDPTKDWVRB-UHFFFAOYSA-N	193.674	1.158	50	20	ADGD	
O=C1CCCC[C@H](CCl)N1	68575414	PRXGDUYWCDNTNZ-ZCFIWIBFSA-N	161.632	1.284	50	20	ADGD	
CC[C@@H]1CO[C@H](C)CN1C(=O)Cl	86894033	XZXKIOKWKIFBNY-RNFRBKRXSA-N	191.658	1.845	50	20	ADGD	
Cc1ncc(/C=C/C=O)s1	86208091	QRNBQWPXRPYVMS-NSCUHMNNSA-N	153.206	1.664	50	20	ADGD	
CCNC(=O)N(C)N=C[C@@H]1C[C@H]1C	308435262	WBDKYPHSHIYBBD-SFYZADRCSA-N	183.255	1.290	50	20	ADGD	
C[C@@H]1CCCC[C@H]1C=NN(C)C(N)=O	783865484	ZPJRSQCODZMCCW-BDAKNGLRSA-N	197.282	1.809	50	20	ADGD	
Cc1nc(Cl)nn1C/C=C/C#N	918584069	RKLQAYDOYZPFCC-NSCUHMNNSA-N	182.614	1.320	50	20	ADGD	
C[C@H](CC1CCCC1)C(=O)N(C)N	1573541158	RGTUMLAGBJKXCW-MRVPVSSYSA-N	184.283	1.535	50	20	ADGD	
CCN1CCCN(C(=O)Cl)CC1	306548748	ORZXQBCQSLFJGD-UHFFFAOYSA-N	190.674	1.373	50	20	ADGD	
C#CCOC(=O)/C(C#N)=C/C1CC1	388354728	PZDXHGCWOSSSKB-RMKNXTFCSA-N	175.187	1.023	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1CCO[C@@H]1C	747752844	FTQOAEFOTHUGAT-HTQZYQBOSA-N	198.266	1.314	50	20	ADGD	
Cc1cccc(Cl)c1C(=O)N(C)N	1574164901	YOOCMXLQWPMYMH-UHFFFAOYSA-N	198.653	1.594	50	20	ADGD	
C/C(N)=C(\C#N)c1nc(C)cs1	306871017	WDKHDTRFCHKZFP-SREVYHEPSA-N	179.248	1.665	50	20	ADGD	
CC(C)[C@H]1CCCC1=NNC(N)=O	308005634	CIEYTHRIYPFMHZ-SSDOTTSWSA-N	183.255	1.467	50	20	ADGD	
O=C(CCl)N1CC[C@H]2C[C@H]2C1	575499280	IRDGSRNBBADMPU-BQBZGAKWSA-N	173.643	1.094	50	20	ADGD	
CC(=O)NN=C(C)c1cncc(F)c1	737416320	OMMWGIRQHMILJK-UHFFFAOYSA-N	195.197	1.081	50	20	ADGD	
Cc1n[nH]c(C)c1C=C(C#N)C#N	306433711	XQJKJDBWVGAXJH-UHFFFAOYSA-N	172.191	1.457	50	20	ADGD	
C[C@H]1CCC[C@@H]1NC=C(C#N)C#N	306217838	KNAIWNPDRLDUKY-WPRPVWTQSA-N	175.235	1.696	50	20	ADGD	
CCOC(=O)C(=O)[C@@H](Cl)CC	11887881	ZJYHNBMVJPEIQZ-YFKPBYRVSA-N	178.615	1.136	50	20	ADGD	
Nc1cnccc1CCl	21985286	VTOZKCHHVGQRTI-UHFFFAOYSA-N	142.589	1.403	50	20	ADGD	
Cc1ccc2cc(C(=O)NN)[nH]c2c1	238524541	NOEIROFXTTWJOC-UHFFFAOYSA-N	189.218	1.080	50	20	ADGD	
CC[C@@H](CC(=O)NN)C(C)C	307733616	SEMGLAJSPMJELD-ZETCQYMHSA-N	158.245	1.049	50	20	ADGD	
CC(=O)NN=C(C)c1cccs1	379322055	GSNOEWMBRGYZNH-UHFFFAOYSA-N	182.248	1.608	50	20	ADGD	
CCOC(=O)NN=Cc1nccs1	393945459	FNHPESHSMGOWBT-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
Cc1cncc(NC=C(C#N)C#N)c1	750818291	RZBAKMJMGPSBMT-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
COCC(C)(C)C=NNC(=O)C1CC1	754895285	LTQFIEHHPVTXFE-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
CC[C@@H](C)CC=NNC(=O)N(C)C	834947651	HVFFSSQYEXARAS-MRVPVSSYSA-N	185.271	1.680	50	20	ADGD	
CCOC(=O)NN=Cc1cccnc1	13111961	IBTLYWKYCUYJSG-UHFFFAOYSA-N	193.206	1.162	50	20	ADGD	
Cc1nc(/C=C/C=O)cs1	38220285	TWTKCKGSZHDOBA-NSCUHMNNSA-N	153.206	1.664	50	20	ADGD	
CCCCC(CC)=NNC(N)=O	242548218	LDLQFBPKVPUDDY-UHFFFAOYSA-N	171.244	1.611	50	20	ADGD	
NC(=O)NN=CC1CCCCCC1	252676816	LAONRNVBWZJLFC-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
CC[C@H](C)C(C)=NNC(=O)OC	381848371	IZEIHBSHPAVYPL-LURJTMIESA-N	172.228	1.764	50	20	ADGD	
CCCCNC(=O)NN=CC1(C)CC1	782201772	UGDFLRNZYHLYEG-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC[C@H](C)CC(=O)NN(C)C1CC1	819651864	WGGIPTWRXNHOIR-QMMMGPOBSA-N	184.283	1.548	50	20	ADGD	
CC[C@@H]1OCC[C@H]1NC=C(C#N)C#N	840729785	QXAGATKIDFPQIF-ZJUUUORDSA-N	191.234	1.075	50	20	ADGD	
CC(C)(C)[C@@H](Cl)C=O	39234282	XUOMQVSEWBWEBA-YFKPBYRVSA-N	134.606	1.839	50	20	ADGD	
CC(C)[C@@](C)(C#N)NC=C(C#N)C#N	232683610	GUVUNNKNGMDWHR-SNVBAGLBSA-N	188.234	1.445	50	20	ADGD	
COC(=O)NN=Cc1ccsc1	379337138	VQUPPJWAHKTADZ-UHFFFAOYSA-N	184.220	1.438	50	20	ADGD	
CCCCCC(C)=NNC(=O)CO	388843853	YYFAOPAXSYCWTB-UHFFFAOYSA-N	186.255	1.051	50	20	ADGD	
O=C(CC1CC1)NN=C1CC2(CC2)C1	814990701	ADDWRLNQDHUEPX-UHFFFAOYSA-N	192.262	1.833	50	20	ADGD	
CC(C)N1C[C@@H](CCl)OC1=O	39373591	DWJWWWPFIONTMT-ZCFIWIBFSA-N	177.631	1.454	50	20	ADGD	
Cc1ncncc1CBr	238503521	YUFGEOGMYWLYAX-UHFFFAOYSA-N	187.040	1.680	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1CCSC1	307547047	LABGEXGLKOAXDH-QMMMGPOBSA-N	193.275	1.260	50	20	ADGD	
NNC(=O)/C=C\C1CCCCC1	308184246	IGRSRQNPONNKJQ-SREVYHEPSA-N	168.240	1.113	50	20	ADGD	
CSSCCN[C@@H](C)[C@H](C)O	397759712	HQAGSPNUEUHPJA-BQBZGAKWSA-N	195.353	1.357	50	20	ADGD	
CCC[C@@H](CC)C(=O)NN(C)C1CC1	823790446	ZMFAYVMLIYHDET-SECBINFHSA-N	198.310	1.938	50	20	ADGD	
C#C[C@@]1(O)CCCC[C@H]1Cl	4794474	AHKHTUCIZISCAB-HTQZYQBOSA-N	158.628	1.532	50	20	ADGD	
C[C@H](CC(=O)NN)c1ccccc1	211845101	SGDMNHAVVXSGRS-MRVPVSSYSA-N	178.235	1.170	50	20	ADGD	
Oc1ccnc(CBr)c1	238728634	XXZMNXLYAGAQLW-UHFFFAOYSA-N	188.024	1.682	50	20	ADGD	in-vitro
CCC[C@@H](C(=O)NN)C(C)C	307735363	XLSJYKFFBPJUPD-SSDOTTSWSA-N	158.245	1.049	50	20	ADGD	
CCNC(=O)NN=C[C@H](C)CCC#N	766010891	CSQLBTGPHPXBTK-MRVPVSSYSA-N	196.254	1.231	50	20	ADGD	
Cc1cc(C=NNC(=O)O)c(C)s1	830030325	ODRFCRRJLAGLEE-UHFFFAOYSA-N	198.247	1.966	50	20	ADGD	
CC(C)c1ccc(NNC(N)=O)cc1	905152059	BLMBPQJUWFGADC-UHFFFAOYSA-N	193.250	1.805	50	20	ADGD	
Cc1ccccc1C(C)(C)C(=O)NN	258929103	AIOQMLFMJBVZSX-UHFFFAOYSA-N	192.262	1.263	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1CC(C)C1	306433109	VUWGYXWYQVYILH-BRFYHDHCSA-N	182.267	1.935	50	20	ADGD	
Cc1ccc(F)cc1C=NNC(N)=O	308436759	QIHPIBIABGBROZ-UHFFFAOYSA-N	195.197	1.136	50	20	ADGD	
CCCC[C@H](CC)CC(=O)NN	147191570	HQUZAOATJMQWBX-QMMMGPOBSA-N	172.272	1.583	50	20	ADGD	
C[C@H]1CC[C@H](C)C(=NNC(N)=O)C1	252473862	XQQANDOXAUCIEF-BQBZGAKWSA-N	183.255	1.467	50	20	ADGD	
C[C@H](C=NNC(N)=O)c1ccccc1	254896819	KCESSWUPNSNONB-MRVPVSSYSA-N	191.234	1.444	50	20	ADGD	
C=CCCC(=NNC(=O)O)C1CC1	833370632	MGMKIROXRJLCOJ-UHFFFAOYSA-N	182.223	1.986	50	20	ADGD	
O=C(NN=C1CCC[C@@H]2C[C@H]12)C1CC1	841602979	DVDAODPZEUWZNJ-BDAKNGLRSA-N	192.262	1.689	50	20	ADGD	
NNC(=O)N[C@H]1C[C@@H]1C1CCCCC1	841836428	NYKGCEDXAOPZCO-BDAKNGLRSA-N	197.282	1.128	50	20	ADGD	
CC=CC=CC=O	1857777505	BATOPAZDIZEVQF-UHFFFAOYSA-N	96.129	1.318	50	20	ADGD	
N#CC(C#N)=CNc1ccc(C#N)cc1	5589088	KUFVIIKTZZNHLX-UHFFFAOYSA-N	194.197	1.901	50	20	ADGD	
CC(=NNC(=O)C1CC1)C(C)C	254439565	SJECLWCANOQDRJ-UHFFFAOYSA-N	168.240	1.545	50	20	ADGD	
Cc1cccc(C2(C(=O)NN)CC2)c1	259079951	ZIEYODZLYZAXRG-UHFFFAOYSA-N	190.246	1.017	50	20	ADGD	
CC1CCC(=CC(=O)NN)CC1	307305359	XFUGSRQESWOBQS-UHFFFAOYSA-N	168.240	1.113	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)C1CC1	379417255	UGIAQIFCEIEIGX-SSDOTTSWSA-N	180.251	1.689	50	20	ADGD	
CC(C)[C@@H]1[C@H](Cl)[C@H]1C=O	536956426	WYSABFBUCNPOJB-LYFYHCNISA-N	146.617	1.695	50	20	ADGD	
CC(C)[C@@H]1CCN1C(=O)CCl	885352208	ULDNTKCRRJDWOO-ZETCQYMHSA-N	175.659	1.482	50	20	ADGD	
O=C(CCl)N[C@@H]1CC=CCC1	84066812	JRMPQBUSGHAXKK-SSDOTTSWSA-N	173.643	1.450	50	20	ADGD	
CCNC(=O)NN=C(C)[C@H](C)CC	308479706	MWKHNKCRTQKEPN-SSDOTTSWSA-N	185.271	1.728	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)CC1CC1	378865926	ALYYXMUCJPZZPN-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
CC(C)CC=NNC(=O)N(C)C	388428488	LTRRPRAPDKEQNR-UHFFFAOYSA-N	171.244	1.290	50	20	ADGD	
CC(C)(C)C(=O)NN=Cc1ccco1	864237017	BBBPSXZILNDEFJ-UHFFFAOYSA-N	194.234	1.776	50	20	ADGD	
CCNC(=O)NNc1cccc(C)n1	875087560	NIQSFJFANWMDOK-UHFFFAOYSA-N	194.238	1.036	50	20	ADGD	
C#CCCCC(=O)NN=C[C@@H]1C[C@@H]1C	901323927	BCLZJUYTIBPUSH-UWVGGRQHSA-N	192.262	1.548	50	20	ADGD	
NCCCCCCCl	44367513	XUVUONUBXHYGCD-UHFFFAOYSA-N	135.638	1.744	50	20	ADGD	
CC1=CC(=NNC(=O)N(C)C)CCC1	727257610	UFYREKDGXDKPTM-UHFFFAOYSA-N	195.266	1.744	50	20	ADGD	
C[C@H]1SCC[C@H]1NC=C(C#N)C#N	843264393	OLKFBCXSHWHZDU-VXNVDRBHSA-N	193.275	1.401	50	20	ADGD	
CN(N=C[C@@H]1CC=CCC1)C(N)=O	308265728	PJGVWTAXHYBEHI-MRVPVSSYSA-N	181.239	1.339	50	20	ADGD	
CCC(=NNC(=O)NC(C)C)C1CC1	741162765	JKJKUKZJKLBDTC-UHFFFAOYSA-N	197.282	1.870	50	20	ADGD	
CC(=O)NN=Cc1cc(C)ccc1C	916267193	KBSBUMYHCWIPMS-UHFFFAOYSA-N	190.246	1.773	50	20	ADGD	
C[C@@H]1CC(=NNC(N)=O)C[C@H](C)C1	5275401	VHJGANGJOQWBCX-KNVOCYPGSA-N	183.255	1.467	50	20	ADGD	
N[C@@H]1CCCC[C@H]1Br	5631031	AQBYKNASJVORLT-PHDIDXHHSA-N	178.073	1.651	50	20	ADGD	in-vitro
O=C(Cl)OC[C@@H]1CCCCO1	140138880	WBLNBTLSRYZFBO-LURJTMIESA-N	178.615	1.931	50	20	ADGD	
CCO[C@@H]1COC[C@@H]1Br	157960018	XNDSMJKCILMBFY-NTSWFWBYSA-N	195.056	1.185	50	20	ADGD	
CC1(C)C[C@H]1CNC(=O)CCl	218352614	YZNHYHNLQXGNLZ-LURJTMIESA-N	175.659	1.388	50	20	ADGD	
CCC(=O)NN=C(C)c1ccoc1	308311321	RPZHXPWUJUMLTO-UHFFFAOYSA-N	180.207	1.530	50	20	ADGD	
C[C@@H](C=NNC(N)=O)C1CCCCC1	379610148	SUNMSTIZVFHUJU-QMMMGPOBSA-N	197.282	1.857	50	20	ADGD	
CCOCC(=O)NN=C1CCC[C@H]1C	731154358	IPUXAGDLWFVOGH-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
CNC(=O)NN=C1C[C@H](C)C[C@@H](C)C1	747753779	MGCBCWMFYJHTSL-HTQZYQBOSA-N	197.282	1.728	50	20	ADGD	
CC(C)c1noc(OC/C=C\C#N)n1	763304816	PMJIVUQMGWIRPR-ARJAWSKDSA-N	193.206	1.652	50	20	ADGD	
CCCC[C@H](C)C(=O)NN(C)C1CC1	819652111	BDCLNJDAXQUNMD-VIFPVBQESA-N	198.310	1.938	50	20	ADGD	
CN(NC(=O)C#CC(C)(C)C)C1CC1	819653007	GZVZLPQSBQNPKV-UHFFFAOYSA-N	194.278	1.161	50	20	ADGD	
CCC(=NNC(=O)N(C)C)[C@@H]1C[C@@H]1C	841622127	SWCKWBCDBFJDFJ-JGVFFNPUSA-N	197.282	1.680	50	20	ADGD	
CC(=O)NN=C[C@]1(C)CCCS1	379322012	GNOUWFFUQGUSDK-QMMMGPOBSA-N	186.280	1.394	50	20	ADGD	
CN(N=C1CCC[C@H]2C[C@@H]12)C(N)=O	382020573	PZHZKOGVEYURCA-NKWVEPMBSA-N	181.239	1.173	50	20	ADGD	
CCNC(=O)NN=C(C)C1CCCC1	733076772	YTAIHHDGWTZDLL-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
C[C@H]1CC[C@H](C)N1C(=O)CCl	168066458	IZEGJNWOOPXVJG-BQBZGAKWSA-N	175.659	1.625	50	20	ADGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)C1CC1	800804606	DVDAODPZEUWZNJ-DTWKUNHWSA-N	192.262	1.689	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)NC(C)C	807965957	NQPNRCVXBFQAPF-MRVPVSSYSA-N	197.282	1.870	50	20	ADGD	
O=C(NN=C1CCC[C@H]1F)C1CCC1	872351967	YMSUAKPAYKCUIX-MRVPVSSYSA-N	198.241	1.781	50	20	ADGD	
C[C@@H](CCl)Cn1ccnc1	70066299	XWYPGCDRNYPJPP-ZETCQYMHSA-N	158.632	1.758	50	20	ADGD	in-vitro
CC1(C)CCC(=NNC(N)=O)C1	252677253	YLTGKSIPZACEBU-UHFFFAOYSA-N	169.228	1.221	50	20	ADGD	
CCC(=O)NNc1cc(C)ccn1	306428739	NJWWPZLJQLQRMW-UHFFFAOYSA-N	179.223	1.243	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)C(F)F	308400702	GZEMQMAHWJSDBT-YFKPBYRVSA-N	190.193	1.544	50	20	ADGD	
COC(=O)N(C)N=C1CCC[C@H]1C	308471839	KRXNUXOUINSXEG-SSDOTTSWSA-N	184.239	1.861	50	20	ADGD	
Cc1cc(CCl)c(=O)n(C)c1	585681343	OSIBWQLCRVISFP-UHFFFAOYSA-N	171.627	1.433	50	20	ADGD	
N#CC(C#N)=CNc1ccccc1C#N	217016963	NAAOCHCEJZGNKT-UHFFFAOYSA-N	194.197	1.901	50	20	ADGD	
Cc1cc(C=NNC(N)=O)ccc1F	252453505	MEDMHEOGFAUKAR-UHFFFAOYSA-N	195.197	1.136	50	20	ADGD	
CC(=O)NNc1cc(Cl)ccn1	306549629	SFDJONXPSYIOJT-UHFFFAOYSA-N	185.614	1.198	50	20	ADGD	
CC(C)CC=NNC(=O)C(F)F	307962067	MSHZTGGAQGOJMC-UHFFFAOYSA-N	178.182	1.400	50	20	ADGD	
CCOC(=O)NN=C(C)C(F)(F)F	379401982	LYZZJSCZODQZBF-UHFFFAOYSA-N	198.144	1.671	50	20	ADGD	
CNC(=O)NN=C[C@H]1CCCC[C@@H]1C	783832670	SGINPUZHTCTPFV-DTWKUNHWSA-N	197.282	1.728	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CCC(C)(C)C1	87234525	SDQILTZFSUSEPY-SSDOTTSWSA-N	189.686	1.872	50	20	ADGD	
CN(N=Cc1cccs1)C(N)=O	308012251	NHMAWGUXFKAGHF-UHFFFAOYSA-N	183.236	1.093	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)C1CCCC1	758373544	YOUSCZUMZDRSPS-WCBMZHEXSA-N	194.278	1.935	50	20	ADGD	
CCNC(=O)NN=C1CC2(CCC2)C1	772839653	FCPPCYBKKJATNA-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
CNC(=O)NN=C1CCC[C@@H](C)[C@@H]1C	781121915	DGTAKFGJLNREGX-SFYZADRCSA-N	197.282	1.728	50	20	ADGD	
N#Cc1csc(C=NNC(=O)O)c1	831161919	QEAIAJVRKQAYQA-UHFFFAOYSA-N	195.203	1.221	50	20	ADGD	
CCC(C)=NNC(=O)[C@@H]1CCCCO1	834990601	TUFMRLXDWMDSGI-VIFPVBQESA-N	198.266	1.458	50	20	ADGD	
CC(=NNC(=O)O)c1occc1C	823532390	IXHKHEDHGBWFON-UHFFFAOYSA-N	182.179	1.580	50	20	ADGD	
N#CC1=CCN(C(=O)[C@H]2C[C@H]2F)CC1	1519847653	HDJIGWJVHNLYFE-DTWKUNHWSA-N	194.209	1.027	50	20	ADGD	
CC(=O)NN=Cc1cccc(Cl)c1	15938093	URZHBQZNDOMZIZ-UHFFFAOYSA-N	196.637	1.810	50	20	ADGD	
CO[C@H]1CCC[C@H]1Br	32218591	HNBGZVCNAAUYAD-RITPCOANSA-N	179.057	1.949	50	20	ADGD	in-vitro
C[C@@H]1C[C@@H]1C=NNC(=O)C(F)F	379314786	PQGQJVSOTKWNCL-RFZPGFLSSA-N	176.166	1.010	50	20	ADGD	
C#CCCCCCC=NNC(=O)NC	834943872	HHOZXUNSOBYDGA-UHFFFAOYSA-N	195.266	1.485	50	20	ADGD	
CCC(=NNC(=O)NC)[C@H]1C[C@H]1C	841620579	JAEGOWRMXFPDFD-RQJHMYQMSA-N	183.255	1.337	50	20	ADGD	
CC(=O)NN=Cc1c(F)cccc1F	916267325	MJUQUJVXRRRVBM-UHFFFAOYSA-N	198.172	1.435	50	20	ADGD	
O=C/C=C/c1ccc(O)c(O)c1	1532067	AXMVYSVVTMKQSL-OWOJBTEDSA-N	164.160	1.310	50	20	ADGD	biogenic,in-vitro
CC(C)CCNS(=O)(=O)CCl	82512048	LZTIWDOZEWXITD-UHFFFAOYSA-N	199.703	1.148	50	20	ADGD	
Cc1cc(C)c(CC(=O)NN)c(C)c1	104572373	VGXQXWGYKTXCMS-UHFFFAOYSA-N	192.262	1.144	50	20	ADGD	
CCC(=O)NN=C(C)c1cscn1	379397307	DRMNCWTUZNFWET-UHFFFAOYSA-N	197.263	1.393	50	20	ADGD	
CCC(=O)NN=Cc1cc(C)[nH]c1C	917564873	NYTFSNVJZADVSO-UHFFFAOYSA-N	193.250	1.492	50	20	ADGD	
O=C(CCl)NC1CCSCC1	135280251	QDAVFYSWYBSXLG-UHFFFAOYSA-N	193.699	1.237	50	20	ADGD	
Cc1cc(C=NNC(=O)O)ccc1F	738229704	FYYLYWJLKBCLHR-UHFFFAOYSA-N	196.181	1.736	50	20	ADGD	
Cc1n[nH]cc1CCCl	409441987	WAPOYPFJXPCNJH-UHFFFAOYSA-N	144.605	1.499	50	20	ADGD	
CC(=O)NNC(=O)/C=C(\C)C(C)(C)C	762784672	NPBDHBDSRPSMRR-VOTSOKGWSA-N	198.266	1.146	50	20	ADGD	
CC(C(=O)NN(C)C1CC1)=C1CCC1	819653072	GSMMHAXUUHLSLU-UHFFFAOYSA-N	194.278	1.612	50	20	ADGD	
C/C=C/C=C/C=C/C=O	22065446	ZUZGMJKUENNLQL-ICDJNDDTSA-N	122.167	1.874	50	20	ADGD	in-vitro
CNNC(=O)Nc1ccc(C)c(C)c1	238307330	JKZQAINSQYENLY-UHFFFAOYSA-N	193.250	1.559	50	20	ADGD	
CC(=O)NN=C1CCC[C@H](C)[C@H]1C	379392425	RVWMBYWXVXQYBQ-JGVFFNPUSA-N	182.267	1.935	50	20	ADGD	
CCOC(=O)NN=C(CC)C1CC1	379397626	DWUPHCNZOMCKIW-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
CO[C@@H](CNC=C(C#N)C#N)C(C)C	745976175	FTNAYXLXOVOGKX-JTQLQIEISA-N	193.250	1.178	50	20	ADGD	
CCCCC[C@@H](C(=O)NN)C(C)C	825651569	DASFZSPPLUEKEQ-SECBINFHSA-N	186.299	1.829	50	20	ADGD	
CCCNC(=O)NN=C(C)C	306440403	HYEZCDWSDBVUHW-UHFFFAOYSA-N	157.217	1.091	50	20	ADGD	
O=C(CC1CC1)NN=C1CCC[C@H]1F	872379438	YNLQQXQXHOISSM-MRVPVSSYSA-N	198.241	1.781	50	20	ADGD	
O=C(CCl)N1CCC[C@@H](F)C1	145029259	UHFTWSJLQDBOIY-ZCFIWIBFSA-N	179.622	1.186	50	20	ADGD	
Cn1cccc1-c1noc(CCl)n1	306558201	OSFVUDLFLCYRRB-UHFFFAOYSA-N	197.625	1.814	50	20	ADGD	
CC(C)CC=NNC(=O)CC1CC1	378863225	UZKKYEHMKVVRJW-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(C)C/C(O)=C/C=O	685945553	JWJGVAKLUBUTDG-CLTKARDFSA-N	128.171	1.673	50	20	ADGD	
Cc1ncc([N+](=O)[O-])n1C/C=C\C#N	763304000	KHEPOYYTLKDZSK-IHWYPQMZSA-N	192.178	1.180	50	20	ADGD	
CC(=O)NN=Cc1cccc(C)c1O	814693169	ZSHZXPVTHDGUHA-UHFFFAOYSA-N	192.218	1.171	50	20	ADGD	
CCC(=O)NN=C1C[C@H](C)O[C@@H]1C	834920382	KBSIIXKGDZXRNQ-NKWVEPMBSA-N	184.239	1.066	50	20	ADGD	
CC[C@@H](Br)COC(C)=O	39251775	GURAWRUJYKNGQZ-ZCFIWIBFSA-N	195.056	1.723	50	20	ADGD	in-vitro
CC1(C)CCC[C@H]1NC(=O)CCl	86875691	YTUMGHPBKSWGHN-SSDOTTSWSA-N	189.686	1.920	50	20	ADGD	
CCC(C)(CC)C(=O)NN(C)C1CC1	819649911	NIXDNGLCUKABBP-UHFFFAOYSA-N	198.310	1.938	50	20	ADGD	
CC[C@H](C)CC=NNC(=O)C(F)F	834974169	UUKRYOCSDWJTIL-LURJTMIESA-N	192.209	1.790	50	20	ADGD	
O=C(Cl)Cc1ccccn1	34463217	JMZMVURYVHXGKK-UHFFFAOYSA-N	155.584	1.390	50	20	ADGD	
BrCCc1ncc[nH]1	69803759	HFPBZRICQXAJCG-UHFFFAOYSA-N	175.029	1.347	50	20	ADGD	
C[C@H]1CC[C@@H](C)CC1=NNC(N)=O	252473865	XQQANDOXAUCIEF-RQJHMYQMSA-N	183.255	1.467	50	20	ADGD	
CCCC(CCC)=NN(C)C(N)=O	308237461	RIAQZROBOHNHEK-UHFFFAOYSA-N	185.271	1.953	50	20	ADGD	
CCOCC(=O)NN=C1CCCC1	382011396	LFUFKMGQYTXHCW-UHFFFAOYSA-N	184.239	1.069	50	20	ADGD	
C=C[C@H](CC)CC(=O)NN(C)C1CC1	823251337	VSTFFOMXJNJSRH-SECBINFHSA-N	196.294	1.714	50	20	ADGD	
CC(=O)NN=C(C)[C@@H]1C[C@H]2CC[C@H]1O2	834919580	XPJWNJZABAWRGB-KXUCPTDWSA-N	196.250	1.066	50	20	ADGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NN	841818825	CGWJBWLYKGHXTM-IUCAKERBSA-N	199.298	1.376	50	20	ADGD	
CN(C)Cc1cccc(N=C=O)c1	75843841	CVQPWOAQBMGTLS-UHFFFAOYSA-N	176.219	1.716	50	20	ADGD	
C[C@@H]1CC[C@@H](C)C(=NNC(N)=O)C1	252473864	XQQANDOXAUCIEF-RNFRBKRXSA-N	183.255	1.467	50	20	ADGD	
CON(CC(C)(C)C)C(=O)CCl	308021379	UUJFWUIOZCCNFO-UHFFFAOYSA-N	193.674	1.661	50	20	ADGD	
CSCCC=NNC(=O)C1CC1	308161510	RNTCFZWAGDLUDV-UHFFFAOYSA-N	186.280	1.252	50	20	ADGD	
CCOC(=O)NN=Cc1cscn1	379382948	FUIJTGVKELHYFX-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
CC(=NNC(N)=O)[C@H]1CCCC[C@@H]1C	379415685	YFJUQOYKHUHKAL-CBAPKCEASA-N	197.282	1.857	50	20	ADGD	
CCC#C[C@H](C)N1CC=C(C#N)CC1	779587656	RBZKJYCCFPTDRA-NSHDSACASA-N	188.274	1.944	50	20	ADGD	
NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	818655446	LPXFJSUXVWRMGL-DTWKUNHWSA-N	197.282	1.128	50	20	ADGD	
O=C1CCSC[C@H]1Br	95830112	XUKGGHJNHRXGTC-SCSAIBSYSA-N	195.081	1.456	50	20	ADGD	
Cc1ccc(O)c2c1C(=O)OC2=O	100288937	MMCKOAAEPCFRSN-UHFFFAOYSA-N	178.143	1.011	50	20	ADGD	
CSC[C@H](C)NC=C(C#N)C#N	306482985	KCMPTHUUJIXVMB-ZETCQYMHSA-N	181.264	1.259	50	20	ADGD	
O=C(CCl)N[C@H]1CCC(F)(F)C1	307703022	UYWLRRWMGZCZFT-YFKPBYRVSA-N	197.612	1.529	50	20	ADGD	
CCNC(=O)N(C)N=C[C@H](C)CC	308428703	SJMZETUJPMSLGG-MRVPVSSYSA-N	185.271	1.680	50	20	ADGD	
CO[C@H]1CC(=NNC(C)=O)C12CCC2	834919218	QOMRXJKGDYREBB-VIFPVBQESA-N	196.250	1.068	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H]2C[C@H]12	841603741	QZPWOKKIYBZSLG-SFYZADRCSA-N	166.224	1.299	50	20	ADGD	
CC(=O)NN=C/C=C\c1ccccc1	254871223	SSSRDGHLKUBCCK-GPSNRAOPSA-N	188.230	1.822	50	20	ADGD	
CCC(=O)NN=C(C)c1nccs1	308311290	ROAALQFQGJHTQX-UHFFFAOYSA-N	197.263	1.393	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)NCC1CC1	758374939	LHIDRHMVGQCJQD-CBAPKCEASA-N	195.266	1.337	50	20	ADGD	
O=C(CC1CC1)NN=Cc1ccc[nH]1	814989676	PXNJUGJINCHZNV-UHFFFAOYSA-N	191.234	1.265	50	20	ADGD	
CCCNC(=O)NN=Cc1ccco1	920989781	STCPERDLILTYMZ-UHFFFAOYSA-N	195.222	1.323	50	20	ADGD	
Cc1oc(C(C)(C)C)cc1C(=O)NN	1340120349	YVWULFLUTLIBNC-UHFFFAOYSA-N	196.250	1.489	50	20	ADGD	
CCO[C@H]1COC[C@@H]1Br	157960156	XNDSMJKCILMBFY-WDSKDSINSA-N	195.056	1.185	50	20	ADGD	
CC(=NNC(N)=O)c1csc(C)c1	381346586	GSVPJTNBNJBELI-UHFFFAOYSA-N	197.263	1.449	50	20	ADGD	
CC(C)C(=O)NNc1cccc(F)n1	804773615	XYLIPOJNULGEMD-UHFFFAOYSA-N	197.213	1.320	50	20	ADGD	
CCOC(=O)NN=C(CC)CC	5916008	XMUJZLZUTSTIBD-UHFFFAOYSA-N	172.228	1.909	50	20	ADGD	
CC(=NN(C)C(N)=O)c1ccc(C)o1	767907604	KEKVEZFRLKLCSG-UHFFFAOYSA-N	195.222	1.323	50	20	ADGD	
CC[C@H]1CCCCC1=NN(C)C(N)=O	779781015	BJZVPKPXRFWODX-QMMMGPOBSA-N	197.282	1.953	50	20	ADGD	
CNC(=O)NN=C1CCC2(CC1)CC2	792629641	NPDNAICKRMBPSR-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
C[C@@H](CC(=O)NN)c1cccc(F)c1	825644901	KNPWAHPNVHEYER-ZETCQYMHSA-N	196.225	1.309	50	20	ADGD	
CC[C@@H](C)C(=O)NCC(Cl)Cl	307565905	NJELBCHNWCCONH-RXMQYKEDSA-N	198.093	1.952	50	20	ADGD	
N#C/C(=C\C1CC1)C(=O)OCCF	308411210	OLIIUUVQJVQKBW-VMPITWQZSA-N	183.182	1.359	50	20	ADGD	
CC(CC1CCC1)=NN(C)C(N)=O	379414461	OCQDPRWTGJFSIA-UHFFFAOYSA-N	183.255	1.563	50	20	ADGD	
CCC(=O)NN=C(C)[C@]1(C)CCCO1	782126922	FXOBRMRCLFTHCB-JTQLQIEISA-N	198.266	1.458	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@H]2C[C@@H]12	800811469	VWCSXUVYDYOUOO-JGVFFNPUSA-N	195.266	1.482	50	20	ADGD	
CC(C)C(C)(C)C(=O)NN(C)C1CC1	819651879	WTJSVEYESNTNMK-UHFFFAOYSA-N	198.310	1.794	50	20	ADGD	
OC1(CCCl)CCCC1	88189729	LMKDJHGISRKRPY-UHFFFAOYSA-N	148.633	1.920	50	20	ADGD	
Cc1cc(C)c(NNC(N)=O)c(C)c1	145961086	WHTRCJHEKPKEHQ-UHFFFAOYSA-N	193.250	1.607	50	20	ADGD	
CC1CC(=NNC(=O)C2CC2)C1	306337827	XDVIBNOKFQNXBH-UHFFFAOYSA-N	166.224	1.299	50	20	ADGD	
COCC(=O)NN=C[C@H]1CC=CCC1	761820729	ZHNVPNPIUKZRFR-VIFPVBQESA-N	196.250	1.091	50	20	ADGD	
COCC[C@H]1CCCC1=NNC(C)=O	799865709	VPXSSOIBBPYNCE-SECBINFHSA-N	198.266	1.315	50	20	ADGD	
COCCC(=NNC(=O)O)C(C)C	828929191	INCLFGUXHDLERV-UHFFFAOYSA-N	188.227	1.303	50	20	ADGD	
CNC(=O)NN=C1CC[C@H](C)C[C@H]1C	783833370	XOQWJCFCTCHIHX-JGVFFNPUSA-N	197.282	1.728	50	20	ADGD	
CN(C(=O)CCl)C1CCC1	113339979	KRWJESBMACDJMR-UHFFFAOYSA-N	161.632	1.236	50	20	ADGD	
CN(N)C(=O)CSc1ccccc1	704705942	KRHAJXOJVBGXHO-UHFFFAOYSA-N	196.275	1.111	50	20	ADGD	
O=[N+]([O-])c1cc(F)cnc1CCl	953126678	IBKNKGKKLZQOMR-UHFFFAOYSA-N	190.561	1.868	50	20	ADGD	
CC[C@@H]1CCC[C@@H]1NC(=O)CCl	306423773	IGJCCZZTKSDTIN-SFYZADRCSA-N	189.686	1.920	50	20	ADGD	
CCC(=NNC(C)=O)c1ccco1	382114194	LOUUCXWBZOFCMP-UHFFFAOYSA-N	180.207	1.530	50	20	ADGD	
N#C/C(=C/C1CC1)C(=O)OCC1CC1	786670290	PCZLIABQEAMNQR-YHYXMXQVSA-N	191.230	1.800	50	20	ADGD	
C=CCCCCCCNC(=O)NN	841902785	FGTAIPWDTARTGB-UHFFFAOYSA-N	185.271	1.296	50	20	ADGD	
N#CC(C#N)=Cc1ccc(C(=O)O)[nH]1	306182432	XNADWTANJLAPLD-UHFFFAOYSA-N	187.158	1.143	50	20	ADGD	
CNC(=O)NN=C1CCC[C@@H]1C	388380282	MMMDMNFLYIXLJL-LURJTMIESA-N	169.228	1.091	50	20	ADGD	
CC(C)=C(C)C(=O)NNC(=O)C(C)C	751298978	YSVKNDHICRGDGA-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
CC(=O)NN=Cc1cc(F)ccc1C	777878496	GPVWZFUQJDWBAO-UHFFFAOYSA-N	194.209	1.604	50	20	ADGD	
CCCC=NNC(=O)[C@H]1CCCCO1	834986522	QMDXGGAPZRUYBH-SECBINFHSA-N	198.266	1.458	50	20	ADGD	
CC(C)(CC(F)F)N=C=O	1537963351	OFFJLIZCJJIBNS-UHFFFAOYSA-N	149.140	1.756	50	20	ADGD	
COC(=O)NN=Cc1ccccc1O	254837356	YJDICTBNEORXQY-UHFFFAOYSA-N	194.190	1.082	50	20	ADGD	
CCOC(=O)NN=C1CC(C)C1	307631055	OLQILQMGGFHMAA-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
C=CCCC(=O)NCC(Cl)Cl	388141739	CXXRVESACBAXPM-UHFFFAOYSA-N	196.077	1.873	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CCCC[C@@H]1C	783832672	SGINPUZHTCTPFV-IUCAKERBSA-N	197.282	1.728	50	20	ADGD	
CC(COC(C)C)=NNC(=O)C1CC1	799866815	VBPVKDSZYNKYMB-UHFFFAOYSA-N	198.266	1.314	50	20	ADGD	
C[C@H](CBr)C1OCCO1	34286296	RBNQWGSPSKUMEJ-RXMQYKEDSA-N	195.056	1.390	50	20	ADGD	
CNC(=O)NNc1ccc(F)cc1	220622106	YPHAPVRGIQPNLS-UHFFFAOYSA-N	183.186	1.082	50	20	ADGD	
Cc1ccc(C=NNC(N)=O)c(C)c1	252448523	XOUPVTXBDZUYSM-UHFFFAOYSA-N	191.234	1.306	50	20	ADGD	
CC(C)NC(=O)NN=C1CC[C@@H](C)C1	814820328	YMZMMEITEZSVSK-MRVPVSSYSA-N	197.282	1.870	50	20	ADGD	
CNC(=O)/C(C#N)=C/c1cccs1	994229	PWUGXCWLSSCNPR-FNORWQNLSA-N	192.243	1.401	50	20	ADGD	
CC(C)=NNC(=O)Cc1ccncc1	238176426	SVESLFKNHWDMSO-UHFFFAOYSA-N	191.234	1.136	50	20	ADGD	
CC(C)(O)[C@H]1C[C@@H]1Br	238191121	DMZSQXLWJAJGED-WHFBIAKZSA-N	179.057	1.541	50	20	ADGD	
Cc1nc(NC=C(C#N)C#N)oc1C	727643331	NWVBFBASPMBMIJ-UHFFFAOYSA-N	188.190	1.634	50	20	ADGD	
Cn1ccnc1CCCCl	39168187	CEARPOBYHDFQFM-UHFFFAOYSA-N	158.632	1.592	50	20	ADGD	
CCC(=O)NN=Cc1sccc1C	308179144	GIPOLOIBLRGISJ-UHFFFAOYSA-N	196.275	1.917	50	20	ADGD	
CCCC=NNC(=O)NCC1CC1	388268194	DLWDPSHKEWKITC-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(C)=O	388423730	JAOVBIFAEVKPEK-MRVPVSSYSA-N	168.240	1.689	50	20	ADGD	
CCCCCC[C@@H](C)C(=O)NN	217585697	PLEUDLYTGHYPPJ-MRVPVSSYSA-N	172.272	1.583	50	20	ADGD	
CCCC[C@@H](CC)CNC(=O)NN	232973815	WLCQCCGLCUTGBX-MRVPVSSYSA-N	187.287	1.376	50	20	ADGD	
C[C@H](CCl)Cc1csnn1	307645597	ZMUFQNOVACUNJT-YFKPBYRVSA-N	176.672	1.956	50	20	ADGD	
C=C(C)CCNS(=O)(=O)CCl	386860717	JLMPFRUQCUNGBX-UHFFFAOYSA-N	197.687	1.068	50	20	ADGD	
CCNC(=O)NN=C(C)C1CCC1	388906846	OKNRHMNFDGBULK-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CNC(=O)NN=C(C)c1ccsc1	393719124	ACKXHSZUOXTOET-UHFFFAOYSA-N	197.263	1.401	50	20	ADGD	
C/C=C\C(=O)NNc1ncccc1C	791221161	QCKSKSIDHUODOB-HYXAFXHYSA-N	191.234	1.409	50	20	ADGD	
CC(=NNC(N)=O)c1cc(C)c(C)o1	799864717	QQEHCWWAVRFMBI-UHFFFAOYSA-N	195.222	1.289	50	20	ADGD	
CC(CCN(C)C)=NNC(=O)C(C)C	915947757	FJFGWEAMTYZSMJ-UHFFFAOYSA-N	199.298	1.086	50	20	ADGD	
CCNC(=O)NN=C[C@@H]1CC[C@@H](C)C1	800811002	CTSHMEXDTGGCOJ-RKDXNWHRSA-N	197.282	1.728	50	20	ADGD	
CCC(=O)NNc1cc(F)ccc1C	855365104	CGIKOFHDMLLQPU-UHFFFAOYSA-N	196.225	1.987	50	20	ADGD	
CC[C@H](C)C(=O)NN=C[C@H]1CCOC1	915977136	OLVSEHCERRSSOZ-DTWKUNHWSA-N	198.266	1.171	50	20	ADGD	
CC(C)C(=O)NN=Cc1ccc[nH]1	393721073	AEUZCEKNUZRBJN-UHFFFAOYSA-N	179.223	1.121	50	20	ADGD	
CC/C(C)=C\C(=O)NNC(=O)C(C)C	822203904	VDDDHTIKXPHYEN-VURMDHGXSA-N	198.266	1.146	50	20	ADGD	
CC1(C)CCC[C@H](NC(=O)NN)C1	166875047	QVKIJCPYEULQMX-ZETCQYMHSA-N	185.271	1.128	50	20	ADGD	
N#CC1=CCN(CCCC(=O)O)CC1	389250930	DHVLFYQNJNIZCD-UHFFFAOYSA-N	194.234	1.007	50	20	ADGD	
COCc1ccc(C=NNC(=O)O)o1	829041152	XIAYEEDBRPDYQX-UHFFFAOYSA-N	198.178	1.028	50	20	ADGD	
Cc1ccccc1C[C@H](C)C(=O)NN	876789893	MGWMJEYYRAUUBH-VIFPVBQESA-N	192.262	1.164	50	20	ADGD	
O=C/C(Cl)=C\CCl	38611952	FSPXZKAEHGXEHN-DAFODLJHSA-N	138.981	1.547	50	20	ADGD	
CCC(=O)NN=C(C)CC	307835494	OGXYAEVGMVGFIY-UHFFFAOYSA-N	142.202	1.299	50	20	ADGD	
CCC(C)=NNC(=O)[C@H](C)CC	307963437	ZGXBOLZPCUHRJH-SSDOTTSWSA-N	170.256	1.935	50	20	ADGD	
COC(=O)NN=C1C[C@H]2CC[C@H]1C2	382305950	OTTIXYYOPQNTOE-BQBZGAKWSA-N	182.223	1.518	50	20	ADGD	
CC(C)CC(=O)NN=CC1(C)COC1	814752416	LSZWFLAIWNNNTI-UHFFFAOYSA-N	198.266	1.171	50	20	ADGD	
CNC(=O)/C(C#N)=C\c1cccs1	5525884	PWUGXCWLSSCNPR-ALCCZGGFSA-N	192.243	1.401	50	20	ADGD	
C[C@@H](CNC=C(C#N)C#N)C1CC1	306975012	YUPBNPYRNBPIQD-QMMMGPOBSA-N	175.235	1.553	50	20	ADGD	
CCC(CC)=NN(C)C(N)=O	307572158	YKLPADAAGUMBND-UHFFFAOYSA-N	157.217	1.173	50	20	ADGD	
C=C[C@@H](CC)CC(=O)NN(C)C1CC1	823251338	VSTFFOMXJNJSRH-VIFPVBQESA-N	196.294	1.714	50	20	ADGD	
CC(C)[C@@]1(C)C[C@@H]1NC=C(C#N)C#N	840731411	ZEMVTIHJIWCLTK-WDEREUQCSA-N	189.262	1.942	50	20	ADGD	
C=C(B(O)O)c1cccc(C)c1	306320128	IVKZVBLDJARSHW-UHFFFAOYSA-N	161.997	1.020	50	20	ADGD	
CCCCCC=NNC(=O)NC	388494168	IUODAGBCRWXHRO-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CCCCNC(=O)/C(C#N)=C/OCC	746510789	SEFPGSOWRARNSN-CMDGGOBGSA-N	196.250	1.347	50	20	ADGD	
CO[C@@H](C)C(C)=NNC(=O)CC1CC1	814989784	VFVQFJRZXKCFED-QMMMGPOBSA-N	198.266	1.314	50	20	ADGD	
O=C(NN=C[C@@H]1CC=CCC1)C1CC1	916290741	NWOHUNDNXYOAKQ-SECBINFHSA-N	192.262	1.855	50	20	ADGD	
C=CC[C@H]1CCCCC1=NNC(N)=O	5290745	UHANQJBFFFOYMT-QMMMGPOBSA-N	195.266	1.777	50	20	ADGD	
C[C@H]1OCC[C@@H]1CCl	86253660	IKJZFVUEXRVHGI-PHDIDXHHSA-N	134.606	1.650	50	20	ADGD	
CCNC(=O)N(C)N=Cc1ccco1	769593271	ANAGRWUYJTVIIF-UHFFFAOYSA-N	195.222	1.275	50	20	ADGD	
Cc1ccc(C(=O)NN)c(C(C)C)n1	876788522	AYMQQLBHRHFYFB-UHFFFAOYSA-N	193.250	1.117	50	20	ADGD	
Cc1nc(N=C=S)ccc1C#N	114086644	WTTQQWHDRLGJSP-UHFFFAOYSA-N	175.216	1.996	50	20	ADGD	
Cc1ccccc1[C@@H](C)C(=O)NN	259049201	UYSBCIRFCFOQSS-MRVPVSSYSA-N	178.235	1.088	50	20	ADGD	
C[C@H](NC=C(C#N)C#N)c1ccccn1	743730570	RVNGCPCUTPBLSL-VIFPVBQESA-N	198.229	1.663	50	20	ADGD	
CCC1(C(=O)NN(C)C2CC2)CC1	819648619	LNEBVTOGLPJDAT-UHFFFAOYSA-N	182.267	1.302	50	20	ADGD	
Cl[C@H]1N[C@H]2CC[C@H]1C2	953055282	WOETXYKTXVAFGN-ZLUOBGJFSA-N	131.606	1.323	50	20	ADGD	
Cl[C@@H]1CCCCO1	32162237	QRECIVPUECYDDM-YFKPBYRVSA-N	120.579	1.752	50	20	ADGD	
O=C(Cl)N1CCN2CCC[C@H]2C1	86933557	JBCKTCOGHGDADC-ZETCQYMHSA-N	188.658	1.125	50	20	ADGD	
C#CCCOC(=O)/C(C#N)=C\C1CC1	786676119	OISUONGVORFBIY-YFHOEESVSA-N	189.214	1.413	50	20	ADGD	
CNC(=O)NN=C1C[C@@H](C)CC[C@H]1C	834944275	NHGRXGBIVCLBPD-JGVFFNPUSA-N	197.282	1.728	50	20	ADGD	
CCCNC(=O)NN=CC(C)(C)C	379402673	NMNXBHRVHXQVDF-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
CN(C)C(=O)NN=C1CC2(CCC2)C1	772841046	RFECVYJEHFAWNK-UHFFFAOYSA-N	195.266	1.578	50	20	ADGD	
CCCC=NNC(=O)[C@@H]1CCO[C@@H]1C	842561731	MOZWYPQXWTXIEK-RKDXNWHRSA-N	198.266	1.314	50	20	ADGD	
O=C/C=C/c1cccc(O)c1	13547091	DCHPWNOJPJRSEA-DUXPYHPUSA-N	148.161	1.604	50	20	ADGD	
CN(C(=O)CCl)c1cccnc1	69763977	NEQHXQFNFQWRAA-UHFFFAOYSA-N	184.626	1.283	50	20	ADGD	
O=C1CC[C@@H]1CCCl	307469630	OUNAGPRPSGQQLA-RXMQYKEDSA-N	132.590	1.594	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1CCSC1	307547046	LABGEXGLKOAXDH-MRVPVSSYSA-N	193.275	1.260	50	20	ADGD	
CC(C)CC=NNC(=O)C(C)C	379323360	PMQJXDMNXQNULK-UHFFFAOYSA-N	170.256	1.791	50	20	ADGD	
CC(C)C=NNC(=O)[C@@H]1CCO[C@H]1C	842550879	AWYNSVPIXKPWKZ-DTWKUNHWSA-N	198.266	1.169	50	20	ADGD	
CCC(=O)NN=Cc1cccc(C)c1	915916519	HQMRJQILNBYLPG-UHFFFAOYSA-N	190.246	1.855	50	20	ADGD	
O=C[C@@]1(CCCl)CCCOC1	306780743	DHXQUJHVABGRDQ-QMMMGPOBSA-N	176.643	1.611	50	20	ADGD	
CNC(=O)NN=C1CCC1(C)C	308080062	IHQXBOOHRQUDMC-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
CN(C)C(=O)NN=CC1CCCC1	379397300	DRHSXNOCAKEXOD-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
C[C@@H]1C[C@H]1C(=O)NNc1ccccn1	777474411	BBTQPFIKWPKMMI-HTQZYQBOSA-N	191.234	1.181	50	20	ADGD	
O=C(CCl)NCc1ccccc1O	41719121	NXSMGQPKNZVURX-UHFFFAOYSA-N	199.637	1.247	50	20	ADGD	
CC(C)C=NNC(=O)c1cccnc1	254486790	PITSZQRTJOXDCY-UHFFFAOYSA-N	191.234	1.453	50	20	ADGD	
CC(=O)NN=C(C)c1cc(C)c(C)o1	799864267	BOUOHIHCFANZTM-UHFFFAOYSA-N	194.234	1.757	50	20	ADGD	
CC(C)C[C@@H](C)NC(=O)CCl	37264960	YXADVZWXGWTJPY-SSDOTTSWSA-N	177.675	1.776	50	20	ADGD	
O=C(Cl)Oc1cnccn1	78045058	SILLUVDGOFNFIX-UHFFFAOYSA-N	158.544	1.214	50	20	ADGD	
C[C@H]1COCCN1C(=O)Cl	86889788	KLCHZXMCDPMBHW-YFKPBYRVSA-N	163.604	1.066	50	20	ADGD	
CSSCCN[C@H](C)[C@@H](C)O	397759716	HQAGSPNUEUHPJA-RNFRBKRXSA-N	195.353	1.357	50	20	ADGD	
CC(=O)NN=C1CC[C@H](C)[C@H](C)C1	308143729	AIDKPMVFTZGZPK-JGVFFNPUSA-N	182.267	1.935	50	20	ADGD	
CC(=O)NN=C1CC[C@H](C)C[C@@H]1C	308280267	WTIGJGZYQLDQHN-YUMQZZPRSA-N	182.267	1.935	50	20	ADGD	
CC[C@H](C)C=NNC(=O)C(C)C	388403473	QAGZRGKKMQYCQY-QMMMGPOBSA-N	170.256	1.791	50	20	ADGD	
CCC(=O)NN=Cc1cccnc1C	728778703	UKJXOFSWBBSQPS-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
CC[C@@H](F)C(=O)N1CC=C(C#N)CC1	1337152268	UKAVFJVWXDCZON-SECBINFHSA-N	196.225	1.417	50	20	ADGD	
CON(C)C[C@H](C)CBr	306410166	JJHBOLUTUNXZBS-ZCFIWIBFSA-N	196.088	1.511	50	20	ADGD	
CNC(=O)NN=C1CCCC[C@H]1C	379403201	OSIKXWFLUHMRTP-SSDOTTSWSA-N	183.255	1.482	50	20	ADGD	
CC(=O)NN=C(C)c1cscn1	388439708	RRRWDLNXPDCKIE-UHFFFAOYSA-N	183.236	1.003	50	20	ADGD	
CC(=O)NNC(=O)C=C1CCCCC1	762783215	GKCCDDCWIJAULC-UHFFFAOYSA-N	196.250	1.044	50	20	ADGD	
CC[C@H](CC1CCCC1)C(=O)NN	825644645	BFSGJXRHLWQRRA-SECBINFHSA-N	184.283	1.583	50	20	ADGD	
COC(=O)NN=C(C)c1ccccn1	916268834	ZGXMSARAFWZRAD-UHFFFAOYSA-N	193.206	1.162	50	20	ADGD	
CCC(CC)[C@@H](C)C(=O)N(C)N	1573698390	BFUJKVDBOJWYMH-SSDOTTSWSA-N	172.272	1.391	50	20	ADGD	
C[C@H](CCl)CC[S@@](C)=O	306571732	GHYPKZXSMALBJT-IMTBSYHQSA-N	168.689	1.630	50	20	ADGD	
CC1(NC=C(C#N)C#N)CCCC1	306767548	YBZOLTCNKZWEPN-UHFFFAOYSA-N	175.235	1.840	50	20	ADGD	
CC(C)C(=NNC(N)=O)C1CC1	307971955	YPUXUJLKKMOIGR-UHFFFAOYSA-N	169.228	1.077	50	20	ADGD	
COC(=O)NN=C[C@H](C)CCC#N	308388618	YMCOFVHWSZXQIM-SSDOTTSWSA-N	183.211	1.268	50	20	ADGD	
CC(C)CC=NNC(=O)NCC1CC1	920828271	AAYVRUCFUOWXCZ-UHFFFAOYSA-N	197.282	1.728	50	20	ADGD	
CCCC[C@@H](CC)CC(=O)NN	147191393	HQUZAOATJMQWBX-MRVPVSSYSA-N	172.272	1.583	50	20	ADGD	
C[Si](O)(O)C1CCCCC1	196631269	GEOCFEWLANXFHX-UHFFFAOYSA-N	160.289	1.377	50	20	ADGD	
CCC(=O)NN=C[C@@H]1CC=CCC1	308252990	CIFJJHOCRUUEKX-SECBINFHSA-N	180.251	1.855	50	20	ADGD	
COC(=O)/C(C#N)=C\c1ccn(C)c1	308533553	LQFIDSPHHXCATO-UITAMQMPSA-N	190.202	1.105	50	20	ADGD	
CC(C)C=NNC(=O)[C@@H]1CCCCO1	834986917	TXONNEYKBBJUNZ-VIFPVBQESA-N	198.266	1.314	50	20	ADGD	
COC(=O)NN=C1CCCC[C@@H]1C	6202468	MEOSWWJBFHSWHV-ZETCQYMHSA-N	184.239	1.909	50	20	ADGD	
CC(C)=NNC(=O)NC(C)C	306371997	JFSXDJLMQHAIHB-UHFFFAOYSA-N	157.217	1.090	50	20	ADGD	
CCC(C=NNC(=O)C1CC1)CC	308367137	OOKDNDPOKXKMNT-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(=O)NN=C(C)c1ccc(C)cc1	308373211	MTXCOFILHDZIOA-UHFFFAOYSA-N	190.246	1.855	50	20	ADGD	
CC(=O)NN=C(C)Cc1ccccn1	834918669	CPKZAFGJUOQCRD-UHFFFAOYSA-N	191.234	1.136	50	20	ADGD	
O=C(NN=Cc1cccs1)C1CC1	254405125	WQCIBERJKZYXCC-UHFFFAOYSA-N	194.259	1.608	50	20	ADGD	
CC(=O)NN=Cc1cc(C)oc1C	308155778	RDLZMMDFDWDCHD-UHFFFAOYSA-N	180.207	1.366	50	20	ADGD	
C[C@@H](C=NNC(=O)C1CC1)CCC#N	765992902	HLZTXKJCYXSHSI-MRVPVSSYSA-N	193.250	1.438	50	20	ADGD	
C=C[C@@](C)(CC)C(=O)NN(C)C1CC1	819651782	VJCMYKKGENNROA-NSHDSACASA-N	196.294	1.714	50	20	ADGD	
NNC(=O)c1cccc(C2CC2)c1	848416914	CUETYVYANRNABP-UHFFFAOYSA-N	176.219	1.168	50	20	ADGD	
O=C1OC(=O)c2ncc(Cl)cc21	165400336	HVNSQNKZCFTCOR-UHFFFAOYSA-N	183.550	1.046	50	20	ADGD	in-vitro
CC[C@H]1C[C@@H](C)CN1C(=O)CCl	306292119	USVKHCSLAZFJFG-SFYZADRCSA-N	189.686	1.872	50	20	ADGD	
CCCCC=NNC(=O)C1CC1	307981188	OSVBWOLJNRUWHJ-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
COCC(=O)NN=C1CCCC[C@H]1C	761823113	AUUKEZZJFTUUFI-MRVPVSSYSA-N	198.266	1.315	50	20	ADGD	
COC(C)(C)CCNC=C(C#N)C#N	864350533	JIKYMUAMBUSMQY-UHFFFAOYSA-N	193.250	1.322	50	20	ADGD	
O=C(O)[C@@H]1C[C@@H]1CBr	113735632	IWQSHSVDKSNJTQ-QWWZWVQMSA-N	179.013	1.102	50	20	ADGD	
O=C1OC(=O)c2c(F)cc(F)cc21	114714148	CGTFOMPLCRVYLE-UHFFFAOYSA-N	184.097	1.275	50	20	ADGD	
CC(C)(C)CCCC(=O)NN	258973819	IOKVUORJAXLYPZ-UHFFFAOYSA-N	158.245	1.193	50	20	ADGD	
CC(C)[C@@H](C(=O)NN)c1ccccc1	116569349	COZLABAPFXHHEV-SNVBAGLBSA-N	192.262	1.416	50	20	ADGD	
CC1(C)[C@H]2CN(C(=O)CCl)C[C@H]21	306549004	QCTQOWOMMOYBPZ-KNVOCYPGSA-N	187.670	1.340	50	20	ADGD	
CSSCCNCCC#N	307473333	RHNKTMKZQBXEEM-UHFFFAOYSA-N	176.310	1.501	50	20	ADGD	
N#C/C=C/CSc1ncccn1	306169590	RBCZIAHEXCMWJG-OWOJBTEDSA-N	177.232	1.648	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CCC(F)(F)C1	306248924	VCMLSAPARUPOOT-RXMQYKEDSA-N	197.612	1.481	50	20	ADGD	
CC(CCc1ccco1)=NNC(N)=O	394853948	JXRPIZRDFQRIOS-UHFFFAOYSA-N	195.222	1.256	50	20	ADGD	
CCOC(=O)NN=Cc1ccco1	254305216	GMRMMUTUDIBSAW-UHFFFAOYSA-N	182.179	1.360	50	20	ADGD	
CC(C)C(=O)NN=Cc1cccs1	254806481	UUNCLOYUYWOPJS-UHFFFAOYSA-N	196.275	1.854	50	20	ADGD	
CC[C@@H]1C[C@H]1CNC=C(C#N)C#N	840726390	MXXVDADGZRGTFW-ZJUUUORDSA-N	175.235	1.553	50	20	ADGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NN	841907801	DUQQSAJRKAOVME-DTWKUNHWSA-N	199.298	1.376	50	20	ADGD	
CNC(=O)NN=C1C[C@H]2CC[C@H]1C2	382305910	OTBMSORZXXGTPZ-BQBZGAKWSA-N	181.239	1.091	50	20	ADGD	
CNC(=O)NN=Cc1cc(C)oc1C	767908822	YXKSZOOMBGSJLW-UHFFFAOYSA-N	195.222	1.159	50	20	ADGD	
C[C@@H]1SCC[C@H]1NC=C(C#N)C#N	843264391	OLKFBCXSHWHZDU-IONNQARKSA-N	193.275	1.401	50	20	ADGD	
CC1(CNC(=O)CCl)CCCC1	82625486	ZRKDCVFYLXEORI-UHFFFAOYSA-N	189.686	1.922	50	20	ADGD	
CC[C@H]1CCCC(=NNC(N)=O)C1	252464092	CXRZYXIFPMESFW-ZETCQYMHSA-N	183.255	1.611	50	20	ADGD	
C[C@@H](Cl)C12OCC(C)(CO1)CO2	409430751	HRVHXLYVFXJQSX-JECWYVHBSA-N	192.642	1.351	50	20	ADGD	
CCOCC(=O)NN=C1C=C(C)CC1	731153989	OGVKTDCCPYINDZ-UHFFFAOYSA-N	196.250	1.235	50	20	ADGD	
CC[C@@H](C)C(C)=NNC(=O)OC	381848373	IZEIHBSHPAVYPL-ZCFIWIBFSA-N	172.228	1.764	50	20	ADGD	
Cn1ccc(CNC=C(C#N)C#N)c1	748364805	MASGBAMRDGGGEM-UHFFFAOYSA-N	186.218	1.046	50	20	ADGD	
CC(C)C(=O)NN=C1CCCOCC1	770592522	SYVHEADBTZXUKE-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
COCCCN1CC=C(C#N)CC1	259350899	YTTMQPORSAWOPH-UHFFFAOYSA-N	180.251	1.179	50	20	ADGD	
CNC(=O)/C(C#N)=C\c1occc1C	742349910	MBZZPCYZDPLFBG-YVMONPNESA-N	190.202	1.241	50	20	ADGD	
CC(=O)NN=C1CCO[C@@H](C(C)C)C1	776757990	DYDRPDQMUMJHIX-SNVBAGLBSA-N	198.266	1.314	50	20	ADGD	
CNC(=O)NN=C[C@H]1CCCC[C@H]1C	783832675	SGINPUZHTCTPFV-RKDXNWHRSA-N	197.282	1.728	50	20	ADGD	
CNC(=O)NN=C1CCCCC[C@@H]1C	844577914	KQQYTWCQZWGNAW-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
CCC(=O)NN=C1CC(C(F)F)C1	306378909	NPVRSQBBOXRQCR-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
CCCC=NNC(=O)CC(F)(F)F	379372594	JRQLPSZGGJCTMJ-UHFFFAOYSA-N	196.172	1.841	50	20	ADGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NN)C1	841789774	QUEQTDMEZFUREW-IUCAKERBSA-N	199.298	1.374	50	20	ADGD	
O=C(CCl)Nc1ccsc1	85534740	YWUMLYIEKOMXCF-UHFFFAOYSA-N	175.640	1.925	50	20	ADGD	
C[C@@H]1CN(C(=O)CCl)C[C@@H]1C	86011484	QMZUIZQCISIHKT-KNVOCYPGSA-N	175.659	1.340	50	20	ADGD	
CC[C@@H]1COCCN1C(=O)Cl	86889836	YKQRLQLUAGOWPS-ZCFIWIBFSA-N	177.631	1.456	50	20	ADGD	
F[C@@H]1OCCC[C@H]1Br	142698023	PXFAXLVYXPNKEY-RFZPGFLSSA-N	183.020	1.856	50	20	ADGD	
CCCCC(=O)N1CC=C(C#N)CC1	767160510	SCSVMJVLXCJMSH-UHFFFAOYSA-N	192.262	1.859	50	20	ADGD	
CNC(=O)NN=C1CCCC(C)(C)C1	767774811	BMIPHEKIDZHIHC-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1COC[C@@H]1C	884419597	VWIRCMBADGHHMV-YUMQZZPRSA-N	198.266	1.171	50	20	ADGD	
O=C1Cc2ccccc2N1CCCl	12377407	DANCGJRODAZBFZ-UHFFFAOYSA-N	195.649	1.815	50	20	ADGD	
O=C(O)[C@H]1C[C@H]1CBr	113735639	IWQSHSVDKSNJTQ-IMJSIDKUSA-N	179.013	1.102	50	20	ADGD	
CC(=O)NNc1cccnc1Cl	306716880	UGABTVKASIZTMZ-UHFFFAOYSA-N	185.614	1.198	50	20	ADGD	
N#C/C=C\CSc1nnc(N)s1	308085457	NKRMJYBHTFAGKR-UPHRSURJSA-N	198.276	1.292	50	20	ADGD	
CNC(=O)NN=C1CCC[C@H]1C(C)C	747754082	PHLWLNYIALXKFR-QMMMGPOBSA-N	197.282	1.728	50	20	ADGD	
CCC(=NNC(=O)COC)[C@@H]1C[C@H]1C	841628809	IVWDAVWEZKBOPT-HTQZYQBOSA-N	198.266	1.171	50	20	ADGD	
N#CC(C#N)=CNCCc1ccccc1	18077129	MKECWMVCTNAKCR-UHFFFAOYSA-N	197.241	1.750	50	20	ADGD	
CC[C@H](O)CNCCSSC	397783907	PTGYITMOMSZFAX-ZETCQYMHSA-N	195.353	1.358	50	20	ADGD	
N#CC(C#N)=CN[C@H]1CC=CCC1	306183630	ZTNGJFSNJPOBLP-JTQLQIEISA-N	173.219	1.616	50	20	ADGD	
C[C@]1(CNC=C(C#N)C#N)CCCO1	755033011	XIYKRQGSVWMFLF-SNVBAGLBSA-N	191.234	1.076	50	20	ADGD	
COC(=O)NN=C1CCC[C@H](C#N)C1	814692608	OUSFSGVGRPWOCC-ZETCQYMHSA-N	195.222	1.412	50	20	ADGD	
CCCCCC[C@H](C)CC(=O)NN	825644682	DGJOKYWNBBGYCD-VIFPVBQESA-N	186.299	1.973	50	20	ADGD	
CC(=O)NN=C(C)c1ccccc1	263627441	KKTCSMNVHBBNFI-UHFFFAOYSA-N	176.219	1.547	50	20	ADGD	
CC(C)CCCNC=C(C#N)C#N	308162693	WABCKBDWSDIMSH-UHFFFAOYSA-N	177.251	1.943	50	20	ADGD	
CN(N=Cc1ccccc1F)C(N)=O	383481077	XTIOFEXECKNZFZ-UHFFFAOYSA-N	195.197	1.170	50	20	ADGD	
CC(C)OCCN1CC=C(C#N)CC1	779585837	JXILAVWIWKJFLH-UHFFFAOYSA-N	194.278	1.567	50	20	ADGD	
N#CC1=CCN(C[C@H]2CCOC2)CC1	779586534	YPUKQLZQNGSSMB-LLVKDONJSA-N	192.262	1.179	50	20	ADGD	
CCNC(=O)NN=CC1CCCCC1	920826826	AKVJIFOTDBIVCB-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1C[C@H]2C=C[C@H]1C2	1352111159	VODBADAKWYWZGQ-DLOVCJGASA-N	199.257	1.719	50	20	ADGD	
Fc1cnn(CCCl)c1	104686414	KCESVJNWWOXNIU-UHFFFAOYSA-N	148.568	1.261	50	20	ADGD	
COC(=O)N(C)N=C(C)c1ccc[nH]1	794956513	YCIRXQOZCVSOBP-UHFFFAOYSA-N	195.222	1.437	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1C=CCC1	887272735	UMMJOCMCTDQALF-SECBINFHSA-N	173.219	1.473	50	20	ADGD	
C[C@H]1CCCN(C(=O)CCl)[C@H]1C	50564695	JDCCHAJLWPCGMH-YUMQZZPRSA-N	189.686	1.872	50	20	ADGD	
CC1(NS(=O)(=O)CCl)CCC1	228913745	XIHXMYNTMHNDMM-UHFFFAOYSA-N	197.687	1.045	50	20	ADGD	
CCNC(=O)N(C)N=C[C@H]1C[C@H]1C	308435258	WBDKYPHSHIYBBD-HTQZYQBOSA-N	183.255	1.290	50	20	ADGD	
COC(=O)NN=C1CC[C@H]1C1CC1	378794875	PREFDCIBVJSAAF-ZETCQYMHSA-N	182.223	1.518	50	20	ADGD	
CCNC(=O)NN=C1CC[C@@H]2C[C@H]12	872345831	VRCBFUIDSUZBID-RQJHMYQMSA-N	181.239	1.091	50	20	ADGD	
C[C@@H]1CCCC(=NNC(=O)CCO)C1	1323529772	KRPHHVCMUCZGPF-MRVPVSSYSA-N	198.266	1.051	50	20	ADGD	
CC1(C)C[C@](C)(N)C=C(C#N)C1=O	2332240829	AVXBPRQRECIZEL-SNVBAGLBSA-N	178.235	1.153	50	20	ADGD	
O=C(Cl)NCCBr	166912503	ZLEDACQYYFTNFO-UHFFFAOYSA-N	186.436	1.330	50	20	ADGD	
CNC(=O)NN=C1CCCCC1	307578317	NPZXCWXOYLAYRJ-UHFFFAOYSA-N	169.228	1.236	50	20	ADGD	
COC(=O)NN=C(C)C1CCC1	307973557	IWLXKSVLGISFER-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
CCCC=NNC(=O)C1CCC1	308001402	ZPXSXEYRCRTGNI-UHFFFAOYSA-N	168.240	1.689	50	20	ADGD	
Cc1ccc(C=NNC(=O)N(C)C)o1	745604747	BPXUDAKEFVRTDV-UHFFFAOYSA-N	195.222	1.193	50	20	ADGD	
COC(=O)N(C)N=C1CCC[C@H]2C[C@@H]12	794964174	JZVPBQIDIVHETP-JGVFFNPUSA-N	196.250	1.861	50	20	ADGD	
CC(=O)NN=Cc1ccc(F)c(F)c1	916267301	LBLVRYNXMWCFRR-UHFFFAOYSA-N	198.172	1.435	50	20	ADGD	
CC(C)C(=O)NNc1ccccn1	306535960	KDFCFENVEKLRGW-UHFFFAOYSA-N	179.223	1.181	50	20	ADGD	
CCCCC=NNC(=O)OC	307890593	ZDBJFBQDDNRJLS-UHFFFAOYSA-N	158.201	1.518	50	20	ADGD	
CCC(=O)NN=Cc1csc(C)n1	388834204	WWOPJWDWKUNBCN-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CNC(=O)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	755661174	LDCIAEUJNOKFNO-XHNCKOQMSA-N	193.250	1.113	50	20	ADGD	
COCCOCCOC(=O)Cl	39318503	PCFLITIGRAACCZ-UHFFFAOYSA-N	182.603	1.025	50	20	ADGD	
O=C/C=C1/C(=O)Nc2ccccc21	82399801	SZPUXQUHQPTPDC-VMPITWQZSA-N	173.171	1.221	50	20	ADGD	
CC(C)(C)[S@@](=O)/N=C/CCl	104578820	XAYYYZGLYRZWOF-YVFTVSHDSA-N	181.688	1.758	50	20	ADGD	
C[C@H]1CCCC[C@@H]1CC(=O)NN	306275710	RCDJRDQPLZVCJE-JGVFFNPUSA-N	170.256	1.193	50	20	ADGD	
N#C/C=C\CSc1ncccn1	379336561	RBCZIAHEXCMWJG-UPHRSURJSA-N	177.232	1.648	50	20	ADGD	
CC1=CC(=NNC(=O)C2CC2)CCC1	727250381	MTENAQKBEKTPCD-UHFFFAOYSA-N	192.262	1.999	50	20	ADGD	
CCC(=O)NN=C(C)c1cc(C)on1	790287426	HEDJFCUAHQHGSP-UHFFFAOYSA-N	195.222	1.233	50	20	ADGD	
C[C@H]1CC[C@H](C)C(=NN(C)C(N)=O)C1	834967428	DJIGPBXPCAEWLS-YUMQZZPRSA-N	197.282	1.809	50	20	ADGD	
CC(C)C[N@]1C[C@@H]1CBr	1857775816	JMBBTMPWVWSGOY-IONNQARKSA-N	192.100	1.722	50	20	ADGD	
CCC(=O)NNc1ncccc1Cl	306657816	IEXBAHUPMLIRGF-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
CCCC(CC)=NNC(=O)CN(C)C	776180492	NRKIPQAFWFDVPU-UHFFFAOYSA-N	199.298	1.230	50	20	ADGD	
CC[C@@H](Cl)C(=O)N(C)CCOC	409425745	BFPLCXZLHGVILA-SSDOTTSWSA-N	193.674	1.109	50	20	ADGD	
N#CC(C#N)=CNCCc1ccccn1	747819508	JMBQDTCAYQFNEL-UHFFFAOYSA-N	198.229	1.145	50	20	ADGD	
CCOC(C)(C)CNC=C(C#N)C#N	780147739	NAWXISCHBOUZMJ-UHFFFAOYSA-N	193.250	1.322	50	20	ADGD	
CCC(=O)NN=C1CCC(OC)CC1	783789833	NWNLEAFBKOPBRW-UHFFFAOYSA-N	198.266	1.458	50	20	ADGD	
CC/C(C)=C\C(=O)NN(C)C1CC1	819653614	TWUKVEOWRWFJEI-FPLPWBNLSA-N	182.267	1.468	50	20	ADGD	
CC(C)[C@@H](C#N)C=NNC(=O)N(C)C	1340953160	WRCCAOQHKBTPMT-QMMMGPOBSA-N	196.254	1.039	50	20	ADGD	
C=CCCC(=O)NNC(=O)CC(C)C	726526486	ZCVKMAOUWJDMNR-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
O=C(NN=C1CC2(CC2)C1)C1CC1	307480981	PEEWJHPYSRTLHH-UHFFFAOYSA-N	178.235	1.443	50	20	ADGD	
CCNC(=O)NN=C1CCCC1	307743253	LVZWTPZXFYMTBG-UHFFFAOYSA-N	169.228	1.236	50	20	ADGD	
CCC(C)=NNC(=O)c1cc(C)[nH]n1	393665831	ARNFFRZKVXRRQI-UHFFFAOYSA-N	194.238	1.234	50	20	ADGD	
Cc1cc(-c2noc(CCl)n2)no1	409424573	WFKMKZYNSHQZIR-UHFFFAOYSA-N	199.597	1.772	50	20	ADGD	
CCC(=O)NN=C(C)C[C@@H]1CCOC1	751516746	RUNQLSZTYGLRJY-VIFPVBQESA-N	198.266	1.315	50	20	ADGD	
C[C@@H]1CC[C@@H](C(=O)NN(C)C2CC2)C1	819650210	HDMLNNTYOFSHRV-RKDXNWHRSA-N	196.294	1.548	50	20	ADGD	
COC(=O)N(C)N=C1CC(C)(C)C1	307105845	JMXXODKTNOGTEK-UHFFFAOYSA-N	184.239	1.861	50	20	ADGD	
CN(C)C(=O)NN=Cc1cccs1	308450523	DGZAUPMXMLQOOX-UHFFFAOYSA-N	197.263	1.353	50	20	ADGD	
CCO[C@H]1CC(=NNC(C)=O)C1(C)C	736428074	FSGIUQFRRILHGV-VIFPVBQESA-N	198.266	1.314	50	20	ADGD	
CNC(=O)NN=C(C)c1ccccc1	920379096	NHRREOIXSWQAKK-UHFFFAOYSA-N	191.234	1.340	50	20	ADGD	
O=C(NN=Cc1ccccc1)C1CC1	17353223	WFMQLZPLQWBLSW-UHFFFAOYSA-N	188.230	1.547	50	20	ADGD	
Cc1nnc(NC=C(C#N)C#N)s1	306475137	WSIQRDKHTUHCNU-UHFFFAOYSA-N	191.219	1.189	50	20	ADGD	
CCCC(CC)=NNC(=O)COC	308249055	AONHFDZHANXAMR-UHFFFAOYSA-N	186.255	1.315	50	20	ADGD	
ClCCCc1cnsn1	307059532	MVAPWEWCAVIYCW-UHFFFAOYSA-N	162.645	1.710	50	20	ADGD	
O=C(CCl)N1CC[C@@H](C(F)F)C1	409430389	QOAFLDHTYJTSLW-RXMQYKEDSA-N	197.612	1.339	50	20	ADGD	
CC(C)NC(=O)NN=C1CCC1(C)C	789001012	SPMKMNANAHMEML-UHFFFAOYSA-N	197.282	1.870	50	20	ADGD	
CCC(=O)NN=Cc1cnsc1	872327298	CDZCEJJBGNYOEH-UHFFFAOYSA-N	183.236	1.003	50	20	ADGD	
NNC(=O)c1ccc(C2CCC2)cc1	78142431	JRTKNIDBCFAMGL-UHFFFAOYSA-N	190.246	1.558	50	20	ADGD	
CC[C@H]1COCCN1C(=O)Cl	86889838	YKQRLQLUAGOWPS-LURJTMIESA-N	177.631	1.456	50	20	ADGD	
CCC(=O)NNc1ccccc1C	306414220	NZFXMPJWGYCCQF-UHFFFAOYSA-N	178.235	1.848	50	20	ADGD	
CCC(=O)NN=C1CC[C@@H]1CC	307992225	UGSPQBHSWKDIQR-ZETCQYMHSA-N	168.240	1.689	50	20	ADGD	
COC(=O)N(C)N=Cc1nccs1	382334652	XQIQSEPMZJZKHL-UHFFFAOYSA-N	199.235	1.175	50	20	ADGD	
Cn1nc2c(c1CCl)COCC2	409436922	CJBDAZLPCZGVDU-UHFFFAOYSA-N	186.642	1.232	50	20	ADGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)CC	730941486	NJSJRTIFUGBVOH-FZGDARCMSA-N	196.250	1.345	50	20	ADGD	
CC(=O)NN=C(C)c1cccc(F)c1	916267524	SSSQZJNZTREDBB-UHFFFAOYSA-N	194.209	1.686	50	20	ADGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2F)CC1	1519847652	HDJIGWJVHNLYFE-BDAKNGLRSA-N	194.209	1.027	50	20	ADGD	
CCN1C[C@H](CCl)OC1=O	70559277	SIORPLBZIGTYFR-YFKPBYRVSA-N	163.604	1.066	50	20	ADGD	
C#C[C@H](NC=C(C#N)C#N)C(C)C	306208814	MUNBAXZQJITIND-JTQLQIEISA-N	173.219	1.165	50	20	ADGD	
CC(=NNC(=O)N(C)C)c1ccoc1	755888850	ASLFTPFLYRGWMF-UHFFFAOYSA-N	195.222	1.275	50	20	ADGD	
CC/C=C(\C)C(=O)NN(C)C1CC1	819646340	SZJHYJUDFHDAHG-VMPITWQZSA-N	182.267	1.468	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(=O)O	826668965	SQBUBMDAUSFBKK-ZCFIWIBFSA-N	170.212	1.820	50	20	ADGD	
CCOC[C@@H](C)CCl	70066766	OSSIAZBJVIYWQR-LURJTMIESA-N	136.622	1.898	50	20	ADGD	
CCn1ncnc1CCCCl	83996068	KLEJXUQJRPLITQ-UHFFFAOYSA-N	173.647	1.469	50	20	ADGD	
O=C/C=C/c1ccc2c(c1)CCO2	86207934	KENRJRQZQGCSKF-OWOJBTEDSA-N	174.199	1.834	50	20	ADGD	
Cc1ncsc1NC(=O)CCl	307753479	VYKZNFOUHCSOET-UHFFFAOYSA-N	190.655	1.629	50	20	ADGD	
N#CC(C#N)=CNCCOC1CCC1	743247027	KUVQRECAZYLMRD-UHFFFAOYSA-N	191.234	1.076	50	20	ADGD	
CC[C@@H](C)CC=NNC(=O)NC	834943924	IQJLXHHZSWPAEQ-SSDOTTSWSA-N	171.244	1.337	50	20	ADGD	
C[C@H]1COC[C@H]1CCl	66054527	KMOYMQUNADPLGJ-NTSWFWBYSA-N	134.606	1.508	50	20	ADGD	
C[C@@H]1CSC[C@@H]1NC=C(C#N)C#N	306554240	KDUBPOYVEFJMBY-APPZFPTMSA-N	193.275	1.259	50	20	ADGD	
CC(C)(C)CC=NNC(=O)C(F)F	308143790	KIVSZRQFCBTDRQ-UHFFFAOYSA-N	192.209	1.790	50	20	ADGD	
CC(=O)NN=C1CCOC2(CCC2)C1	834919211	QGSVGPADKOEWGF-UHFFFAOYSA-N	196.250	1.212	50	20	ADGD	
CC[C@](C)(C=NNC(=O)OC)OC	834919523	WIEXGVIOBTZCTP-MRVPVSSYSA-N	188.227	1.143	50	20	ADGD	
CCC[C@H](CNC=C(C#N)C#N)OC	840727712	QVPRNWILBMSFMN-SNVBAGLBSA-N	193.250	1.322	50	20	ADGD	
Cc1cccc(NNC(=O)C2CC2)c1	912634560	FXRAIDZGRLLONC-UHFFFAOYSA-N	190.246	1.848	50	20	ADGD	
NNC(=O)CCc1cccc(Cl)c1	84932533	JGGCISFTIFIQHX-UHFFFAOYSA-N	198.653	1.263	50	20	ADGD	
C[C@H]1CCC(=NNC(N)=O)C[C@@H]1C	252472984	RTVIYBKONXZKSR-BQBZGAKWSA-N	183.255	1.467	50	20	ADGD	
CN(N=C1CC(C(F)F)C1)C(N)=O	306246161	AXZAWYDQBAQEEB-UHFFFAOYSA-N	191.181	1.028	50	20	ADGD	
N#C/C=C/CSc1nncs1	306518417	DEQCUGLTMAITBX-OWOJBTEDSA-N	183.261	1.710	50	20	ADGD	
CCCCNC(=O)NN=C[C@@H]1C[C@@H]1C	758374758	IKWKVFRCSJSOOD-IUCAKERBSA-N	197.282	1.728	50	20	ADGD	
CCCCCC[C@@H](C)C(=O)N(C)N	1573735635	NJXJAHFDLQVDQV-SECBINFHSA-N	186.299	1.925	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CCCC[C@H]1C	783832664	SGINPUZHTCTPFV-BDAKNGLRSA-N	197.282	1.728	50	20	ADGD	
CC(=NNC(=O)O)c1ccoc1	823534065	WOTOXLCMACJCMD-UHFFFAOYSA-N	168.152	1.271	50	20	ADGD	
COc1cccc(/C=C/C=O)c1	21304297	XHYAQFCRAQUBTD-HWKANZROSA-N	162.188	1.907	50	20	ADGD	
C[C@H]1CC(C)(C)CCC1=NNC(N)=O	252677160	UIEMHAVEQUVANX-ZETCQYMHSA-N	197.282	1.857	50	20	ADGD	
CCOC(=O)NN=Cc1cc[nH]c1	379406085	VMPMCDVNQHECQO-UHFFFAOYSA-N	181.195	1.095	50	20	ADGD	
CC[C@@H]1CCCC(=NNC(=O)CO)C1	776782993	JSKDNMAEZJYLOU-MRVPVSSYSA-N	198.266	1.051	50	20	ADGD	
NNC(=O)NCCC1=CCCCCC1	841876360	CPCHJGGGYJDNGY-UHFFFAOYSA-N	197.282	1.440	50	20	ADGD	
CCCNNC(=O)C1CCC=CCC1	1577574427	AAJDNARWMCSXAH-UHFFFAOYSA-N	196.294	1.764	50	20	ADGD	
CC1(C)C(NC(=O)CCl)C1(C)C	86240051	OXLOBMUCYAWOHQ-UHFFFAOYSA-N	189.686	1.776	50	20	ADGD	
O=C(NN=C[C@H]1CCSC1)C1CC1	308421481	UBHDWYICIDIDFZ-SSDOTTSWSA-N	198.291	1.252	50	20	ADGD	
CCO[C@H]1CCCC1=NNC(C)=O	308423579	PRYYNOBVOLKSAC-VIFPVBQESA-N	184.239	1.068	50	20	ADGD	
N#CC(C#N)=CNc1cncc(F)c1	798343238	AKRFEXMNWLGVPK-UHFFFAOYSA-N	188.165	1.564	50	20	ADGD	
CC(C)C(C=NNC(N)=O)C(C)C	379353524	FRYXTIKCSPSBBZ-UHFFFAOYSA-N	185.271	1.569	50	20	ADGD	
C#CC[C@@H](F)CBr	585142172	IFZFAUXHCLSREG-RXMQYKEDSA-N	165.005	1.743	50	20	ADGD	
CCC[C@H](CC)C(=O)NN(C)C1CC1	823790447	ZMFAYVMLIYHDET-VIFPVBQESA-N	198.310	1.938	50	20	ADGD	
CC(=O)NN=Cc1ccccc1C#N	755467498	HCEPWJHEZNWGPH-UHFFFAOYSA-N	187.202	1.028	50	20	ADGD	
CC1(C)CCCC[C@@H]1CC(=O)NN	825651595	FGDFHMVTZYCCPU-MRVPVSSYSA-N	184.283	1.583	50	20	ADGD	
C[C@H]1CC(=NNC(N)=O)C[C@H](C)C1	5275419	VHJGANGJOQWBCX-RNFRBKRXSA-N	183.255	1.467	50	20	ADGD	
CCCC=NNC(=O)NC(C)C	307997222	WZHALQMYWPBHMD-UHFFFAOYSA-N	171.244	1.480	50	20	ADGD	
CCCCC=NNC(=O)N(C)C	388520915	XFNJLSOMYKOGLD-UHFFFAOYSA-N	171.244	1.434	50	20	ADGD	
CCNC(=O)NN=Cc1ccc(C)o1	920829086	XWHGMHDLFIMXTR-UHFFFAOYSA-N	195.222	1.241	50	20	ADGD	
CCNC(=O)NN=C[C@H](C#N)C(C)C	1324298201	JTVIQIYLNBTZHT-QMMMGPOBSA-N	196.254	1.087	50	20	ADGD	
C[C@H](NC(=O)NN)C1CCCCC1	52344561	LRUGFGTVQVHNGI-ZETCQYMHSA-N	185.271	1.128	50	20	ADGD	
CCC(=O)NN=C(CC)CC	307643989	RGOZEORLLHQPEW-UHFFFAOYSA-N	156.229	1.689	50	20	ADGD	
CC(=NNC(=O)NC(C)C)C1CCC1	747629530	BBPBZEKSNZXINV-UHFFFAOYSA-N	197.282	1.870	50	20	ADGD	
CC(C)C=NNC(=O)[C@H]1CCO[C@H]1C	842550880	AWYNSVPIXKPWKZ-IUCAKERBSA-N	198.266	1.169	50	20	ADGD	
CNC(=O)NN=C[C@H]1CCC[C@@H](C)C1	768361771	WIGBTWSMVLDNLR-BDAKNGLRSA-N	197.282	1.728	50	20	ADGD	
C/C=C/C(=O)NCCCSC#N	854364006	WOEVZTGUKBMNOF-DUXPYHPUSA-N	184.264	1.283	50	20	ADGD	
CC(=O)NN=Cc1nc(C)c(C)s1	901124171	UXUUXQAHVOVJHO-UHFFFAOYSA-N	197.263	1.230	50	20	ADGD	
CC[C@H](C)C=NNC(=O)NC(C)C	308298052	KTSFKJCBXKPZMB-QMMMGPOBSA-N	185.271	1.726	50	20	ADGD	
CCCC(CC)=NN(C)C(N)=O	388453305	ZFIOHCNBTWFVJA-UHFFFAOYSA-N	171.244	1.563	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)C(C)C	388598204	PIULCFANILWNJY-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
CCc1ccc(C=NNC(=O)NC)o1	760253847	NNNBBCXFFRSEIY-UHFFFAOYSA-N	195.222	1.105	50	20	ADGD	
CC[C@@](C)(CNC=C(C#N)C#N)OC	840724716	AIPGHXHIWJJUHG-JTQLQIEISA-N	193.250	1.322	50	20	ADGD	
CC(C)NC(=O)NCC(Cl)Cl	307118472	QRWHBWCMRBUPQC-UHFFFAOYSA-N	199.081	1.498	50	20	ADGD	
NC(=O)NN=C1CC[C@H]1C1CCC1	378860796	PQSNJSAFMHYJKS-ZETCQYMHSA-N	181.239	1.221	50	20	ADGD	
CC(=NNC(=O)C(F)F)C(C)C	379319959	TYLMSMZDNSHXBW-UHFFFAOYSA-N	178.182	1.400	50	20	ADGD	
CO[C@H](CNC=C(C#N)C#N)C(C)C	745976190	FTNAYXLXOVOGKX-SNVBAGLBSA-N	193.250	1.178	50	20	ADGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)CC	746507778	YBWMDAHSROFKKZ-FZGDARCMSA-N	196.250	1.345	50	20	ADGD	
CC(C)(C)[S@](=O)/N=C/CCl	104578825	XAYYYZGLYRZWOF-VHODGJRUSA-N	181.688	1.758	50	20	ADGD	
COC(=O)NN=C[C@@H](C)CCC#N	308388620	YMCOFVHWSZXQIM-ZETCQYMHSA-N	183.211	1.268	50	20	ADGD	
O=C(CCl)N1CCC(F)CC1	409423465	OLPYSNKDTCSLON-UHFFFAOYSA-N	179.622	1.186	50	20	ADGD	
CC(C)C(=O)NN=C[C@H](C#N)C(C)C	1335134661	NJLXVFQXGVMZTF-VIFPVBQESA-N	195.266	1.540	50	20	ADGD	
CC[C@H](CCl)Cc1ncnn1C	85045436	AXKOHSZCFZIQMY-ZETCQYMHSA-N	187.674	1.623	50	20	ADGD	
CCCCC[C@H](C)CC(=O)NN	308396583	FADJVAOAOUKBJS-QMMMGPOBSA-N	172.272	1.583	50	20	ADGD	
CC(C)=C(C)C(=O)NN(C)C1CC1	819648496	GFXADNADHKNROV-UHFFFAOYSA-N	182.267	1.468	50	20	ADGD	
CCC(=NNC(N)=O)[C@H]1C[C@H]1C	383471688	CWMWDERQPADQLO-RITPCOANSA-N	169.228	1.077	50	20	ADGD	
CC(=NNC(=O)CO)C1CCCCC1	776782513	BYCQUVBNHBZLBC-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CCNC(=O)N(C)N=CCCC1CC1	807980401	SWFCJHFTAMWFJV-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
O=C1CCC[C@H](CCl)O1	39271258	PKUDWYCCVNMVSF-RXMQYKEDSA-N	148.589	1.321	50	20	ADGD	
CCc1ccc(/C=C(/C#N)C(=O)O)o1	51721809	WTDRZWGHXGXFDH-ALCCZGGFSA-N	191.186	1.834	50	20	ADGD	
C=CCCn1cc(CCl)nn1	334163851	OHTZOZZGBUTIQD-UHFFFAOYSA-N	171.631	1.593	50	20	ADGD	
CC(C)CC(=O)NN=C[C@@H]1C[C@H]1C	379412083	JKWPNIVYHLZKSX-BDAKNGLRSA-N	182.267	1.791	50	20	ADGD	
CC(=O)NN=C(C)c1cncs1	393322081	MOOBYVJNVUVURA-UHFFFAOYSA-N	183.236	1.003	50	20	ADGD	
CCOCC(=O)NN=C(C)CC1CC1	756826886	NKVSGRXMUAGSDG-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCc1nnc(SC/C=C/C#N)o1	882328917	RMNQMVISSOXKEB-ONEGZZNKSA-N	195.247	1.804	50	20	ADGD	
COC[C@@]1(CCl)CCCOC1	234760129	RIYVUCYCBUJHOZ-QMMMGPOBSA-N	178.659	1.668	50	20	ADGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(N)=O	389070258	BYBJOIRZCMPQBG-SFYZADRCSA-N	197.282	1.857	50	20	ADGD	
N#CC(C#N)=CNCC1CC(F)(F)C1	793666928	HQIHVBFTMHWRRE-UHFFFAOYSA-N	197.188	1.552	50	20	ADGD	
Cc1cc(C(=O)NN(C)C2CC2)co1	819651038	DQSPEYQMYTXBAV-UHFFFAOYSA-N	194.234	1.327	50	20	ADGD	
C/C=C\C(=O)N(C)CC(Cl)Cl	848080518	LANSDOPXRFOBKF-ARJAWSKDSA-N	196.077	1.825	50	20	ADGD	
CC[C@H](NC(=O)NN)C1CCCC1	306836345	UKYSODLFPVMRON-QMMMGPOBSA-N	185.271	1.128	50	20	ADGD	
C/C=C\C(=O)NNc1ccccc1F	748057204	JWZMEZGJCBFKPQ-DJWKRKHSSA-N	194.209	1.845	50	20	ADGD	
CCC(CC)CC(=O)NN(C)C1CC1	819649601	UCPNRQALWWHHLY-UHFFFAOYSA-N	198.310	1.938	50	20	ADGD	
CC[C@@H](CSC)NC=C(C#N)C#N	379383342	KSDMABRWOWBAQG-VIFPVBQESA-N	195.291	1.649	50	20	ADGD	
CC(C)[C@@H]1[C@H](Cl)[C@H]1C(=O)O	536953146	FVHUWEWQOLDPJJ-ZLUOBGJFSA-N	162.616	1.580	50	20	ADGD	
Cc1ccc(CNC=C(C#N)C#N)cn1	917604601	NBDYHSDKZBGCEX-UHFFFAOYSA-N	198.229	1.411	50	20	ADGD	
BrC[C@@H]1C[N@@]1CC1CC1	1857775810	APIRZHDGBPSPDT-VXNVDRBHSA-N	190.084	1.476	50	20	ADGD	
CCNC(=O)N(C)N=Cc1ccc[nH]1	769591419	HLVDAOWIHQXSCU-UHFFFAOYSA-N	194.238	1.010	50	20	ADGD	
Cc1cc(OC/C=C/C#N)nnc1C	840195835	IPQCOUOVJDSNRQ-ONEGZZNKSA-N	189.218	1.552	50	20	ADGD	
CC(=O)NN=C1CCC[C@H](C)[C@@H]1C	379392427	RVWMBYWXVXQYBQ-YUMQZZPRSA-N	182.267	1.935	50	20	ADGD	
CC1(C)C(NC=C(C#N)C#N)C1(C)C	751924322	PCLHXXTYOOQNML-UHFFFAOYSA-N	189.262	1.942	50	20	ADGD	
C[C@@H](C(=O)NN(C)C1CC1)C(C)(C)C	819646833	GXOAZGNERJIIAX-QMMMGPOBSA-N	198.310	1.794	50	20	ADGD	
CC[C@H](C)[C@@H](C)NC(=O)CCl	42557765	IQXTUZCPBRPMNW-NKWVEPMBSA-N	177.675	1.776	50	20	ADGD	
Cn1ccn2ncc(CCl)c12	238516119	PEAYUVWEDJFKQS-UHFFFAOYSA-N	169.615	1.412	50	20	ADGD	
CCC(=O)NNc1ccnc(F)c1	306964620	MMNDXMYZLXCTQE-UHFFFAOYSA-N	183.186	1.074	50	20	ADGD	
Cn1ncc(CC(C)(C)CCl)n1	307130473	GFHIDGKBEADYDP-UHFFFAOYSA-N	187.674	1.623	50	20	ADGD	
CC(Cc1ccsc1)=NNC(N)=O	388896743	MNPZHWZMPDPQJF-UHFFFAOYSA-N	197.263	1.335	50	20	ADGD	
CN(C)C(=O)NN=C1CCC12CCC2	799877657	FLQUZVKBMJZZCZ-UHFFFAOYSA-N	195.266	1.578	50	20	ADGD	
Cc1nccn1C[C@H](CN)CCl	1898204200	PVPRBUXMVUCWBJ-QMMMGPOBSA-N	187.674	1.005	50	20	ADGD	
CC(=O)NN=C1CCc2ccccc21	916267313	LZJIERSCDMHXSW-UHFFFAOYSA-N	188.230	1.473	50	20	ADGD	
COC[C@@]1(CCl)CCO[C@H]1C	126164268	OCTAGUWIFKDRCN-YUMQZZPRSA-N	178.659	1.667	50	20	ADGD	
CCOCC(C)=NNC(=O)C(C)C	308312201	SODPJMVDWOXCCZ-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
O=C(NCC1CC1)NN=CC1CC1	308416333	QZEVPLYSDCCAKJ-UHFFFAOYSA-N	181.239	1.091	50	20	ADGD	
O=C(CCl)NCC1CC=CC1	717349113	XQGKTOSYSAJUBT-UHFFFAOYSA-N	173.643	1.308	50	20	ADGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NN)C1	841789773	QUEQTDMEZFUREW-DTWKUNHWSA-N	199.298	1.374	50	20	ADGD	
O=C[C@H](Cl)CC1CCOCC1	1857777168	RGYIUXKWPUBUAF-MRVPVSSYSA-N	176.643	1.609	50	20	ADGD	
CC1(C=NNC(=O)C(F)F)CC1	388518479	VSDMMNSGHCBPLB-UHFFFAOYSA-N	176.166	1.154	50	20	ADGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NN	841892041	CAWOQJBVQZZJPC-VGMNWLOBSA-N	199.298	1.232	50	20	ADGD	
O=C(Cl)O[C@@H]1CCCOC1	214975093	RQYOONSJAHZNNP-RXMQYKEDSA-N	164.588	1.541	50	20	ADGD	
COC[C@]1(CCl)CCCCO1	306378711	UBWPCPCTLOQVHS-MRVPVSSYSA-N	178.659	1.811	50	20	ADGD	
CC(C)C(=O)NN=C1C[C@H](C)O[C@@H]1C	834928710	XLMNUFJSXQGIKT-JGVFFNPUSA-N	198.266	1.312	50	20	ADGD	
CCC(=O)NN=Cc1ccoc1C	841605165	XHTPODGBISVCLJ-UHFFFAOYSA-N	180.207	1.448	50	20	ADGD	
O=C(NN=C1CC[C@@H]2C[C@H]12)C(F)F	872365190	GPBCHYIFMVMXDI-UHNVWZDZSA-N	188.177	1.154	50	20	ADGD	
CC1(C)C[C@@H]1NC(=O)CCl	45135428	ZGNAZZHSFMELQE-YFKPBYRVSA-N	161.632	1.140	50	20	ADGD	
CCNC(=O)NN=C1CC(C)C1	307316176	JJCLHWINPMNTHI-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
Cc1cc(CNC(=O)CCl)ccn1	307434772	PFJPWKYGTJRXBH-UHFFFAOYSA-N	198.653	1.245	50	20	ADGD	
CCCCCNC=C(C#N)C#N	308000327	ZBWFNABBNFSJPV-UHFFFAOYSA-N	163.224	1.697	50	20	ADGD	
CC(C)C(=O)NN=CC1CCCC1	308155092	QUDWSFWUOPLCEV-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CCCCC=NNC(=O)NCCC	308498730	VOIVWSJFDHXQFG-UHFFFAOYSA-N	185.271	1.872	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)C(F)F	379314785	PQGQJVSOTKWNCL-CRCLSJGQSA-N	176.166	1.010	50	20	ADGD	
O=C(CCl)N1CCC[C@H](CF)C1	409427102	JNRDPBYGHKPAAI-SSDOTTSWSA-N	193.649	1.433	50	20	ADGD	
CC(C)(C)c1nc(C(=O)NN)cs1	306533652	NPXKPTJCUIJYTH-UHFFFAOYSA-N	199.279	1.044	50	20	ADGD	
CC(=O)NN=C(C)Cc1cccs1	308133691	CSINSMPEMWOMQQ-UHFFFAOYSA-N	196.275	1.803	50	20	ADGD	
CC(=O)NN=C(C)c1occc1C	379407088	XZQVJZKWCWQUJF-UHFFFAOYSA-N	180.207	1.448	50	20	ADGD	
CO[C@@]1(C)CC(=NNC(C)=O)C1(C)C	746559052	RFBPUYCRDMMXQL-JTQLQIEISA-N	198.266	1.314	50	20	ADGD	
C[C@H]1OCCC1=NNC(=O)C1CCC1	747750380	SETUUIDADFCOAP-SSDOTTSWSA-N	196.250	1.068	50	20	ADGD	
CC(C)C[C@H](C)C=NNC(=O)N(C)C	799110218	QNUXMAZBWUKFBP-VIFPVBQESA-N	199.298	1.926	50	20	ADGD	
CC(C)[C@@H](C)N(C)C(=O)CCl	37504695	NFMYCQPQRCAZJQ-SSDOTTSWSA-N	177.675	1.728	50	20	ADGD	
CCCn1nccc1C=C(C#N)C#N	306295451	JEUURXXKPXQMBA-UHFFFAOYSA-N	186.218	1.724	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)OC	388134662	WPQZWNXBQRLNQM-ZCFIWIBFSA-N	158.201	1.374	50	20	ADGD	
NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1	841836431	NYKGCEDXAOPZCO-RKDXNWHRSA-N	197.282	1.128	50	20	ADGD	
CC[C@@H]1COCC1=NNC(=O)C(C)C	853273581	PNCNZKZEJLIQOH-MRVPVSSYSA-N	198.266	1.171	50	20	ADGD	
CC(C)CC=NNC(=O)c1ccc[nH]1	863967595	ORRDHVDPFYQQIR-UHFFFAOYSA-N	193.250	1.776	50	20	ADGD	
C[C@H](Cl)CC(=O)OCCl	143335999	GWYHWJBUTPNSIJ-BYPYZUCNSA-N	171.023	1.743	50	20	ADGD	
CNC(=O)NN=C(C)C1CCC1	307977071	MBUYYSJXBLSCGX-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
C=CCCC(C)=NNC(=O)NC	307970668	GWRSHJUMMWUMHN-UHFFFAOYSA-N	169.228	1.258	50	20	ADGD	
CNC(=O)NN=C[C@H]1CC=CCC1	308250051	FEJNLHVQNDAXSU-QMMMGPOBSA-N	181.239	1.258	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)CC1CC1	382164378	UMUJKMQVZDCGSV-IONNQARKSA-N	180.251	1.545	50	20	ADGD	
CNC(=O)NN=C1CCC[C@@H]1C(C)C	747754081	PHLWLNYIALXKFR-MRVPVSSYSA-N	197.282	1.728	50	20	ADGD	
CC[C@H](C)C(=O)NN=CC1(C)COC1	814808904	USSVSTMPFXJQKA-QMMMGPOBSA-N	198.266	1.171	50	20	ADGD	
CCC(CC)=NNC(C)=O	5427694	SEQYSLOVCHDECQ-UHFFFAOYSA-N	142.202	1.299	50	20	ADGD	
O=C(CCl)N[C@@H]1CCC(F)(F)C1	307703021	UYWLRRWMGZCZFT-RXMQYKEDSA-N	197.612	1.529	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(=O)OC	308152697	ABXUGCDVXOAYAZ-SSDOTTSWSA-N	184.239	1.909	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1CCO[C@@H]1C	747752845	FTQOAEFOTHUGAT-JGVFFNPUSA-N	198.266	1.314	50	20	ADGD	
COC[C@@H](C)C(C)=NNC(=O)C1CC1	777878633	JGDQGOSJBFMLFQ-SSDOTTSWSA-N	198.266	1.171	50	20	ADGD	
C/C=C/C=C\C(=O)NN(C)C1CC1	819642019	CPKDAWZLIBSMQA-ICWBMWKASA-N	180.251	1.244	50	20	ADGD	
CC1(C)CCCC1=NNC(=O)CCO	1331096050	OXMZRQMZPZFIBQ-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CC(=O)NN=C(C)CC1CC1	393679215	ZXSPNIVDOCNVGB-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
Cc1ccoc1C=NNC(=O)C(C)C	743427678	UYZUKWXTSMWZIK-UHFFFAOYSA-N	194.234	1.694	50	20	ADGD	
NC1(CCl)CCCCC1	104649234	ZMDWYFNVQQVWJN-UHFFFAOYSA-N	147.649	1.887	50	20	ADGD	
CCNC(=O)NN=CCCC1CC1	379414222	NPDKMGAXURZBFH-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
COC(=O)NN=C[C@@H]1CC[C@H](C)C1	388759774	DMQLURAZYZZUMT-JGVFFNPUSA-N	184.239	1.764	50	20	ADGD	
CC1(C)CC(CNC(=O)CCl)C1	701480850	TZZDPRMFIRSAPO-UHFFFAOYSA-N	189.686	1.778	50	20	ADGD	
CN(CC(C)(C)C)C(=O)CCl	45085264	KSDDCSHMDPFRHT-UHFFFAOYSA-N	177.675	1.730	50	20	ADGD	in-vitro
C[C@H]1CCC[C@@H]1NC(=O)CCl	70832181	ZQWZPGYACAKZNF-BQBZGAKWSA-N	175.659	1.530	50	20	ADGD	
CC(=O)NN=Cc1ccc(Cl)cc1	254525425	YAZJBTGNGNKAQH-UHFFFAOYSA-N	196.637	1.810	50	20	ADGD	
CC(C)C(=O)NN=C1CC2(CC2)C1	306917936	YPLZRUBZHBGMTB-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CC(=O)NN=C[C@@H]1CCC[C@H](C)C1	308204371	XLERAJOPURYXNC-WCBMZHEXSA-N	182.267	1.935	50	20	ADGD	
CCCCNC(=O)NN=C1CC(C)C1	814817561	QMEDIOZHJOHAMA-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CC(=O)NN=C1CC[C@@H](C)C[C@@H]1C	308280266	WTIGJGZYQLDQHN-SFYZADRCSA-N	182.267	1.935	50	20	ADGD	
C[C@@H]1CC[C@H](CNC=C(C#N)C#N)O1	840731317	YTPHEDNTOMYMIQ-PSASIEDQSA-N	191.234	1.075	50	20	ADGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)O	209639014	PIKCFBLFAVLSNX-CLTKARDFSA-N	192.174	1.283	50	20	ADGD	
COC(=O)NN=C1CCC[C@H]1C	307978653	NHHCCTUPZLEZGQ-ZCFIWIBFSA-N	170.212	1.518	50	20	ADGD	
C=CCCC(=O)NNC(=O)C(C)(C)C	726524605	KPVDPRLBUONEOY-UHFFFAOYSA-N	198.266	1.146	50	20	ADGD	
C=C[C@H](C)N/C=C(/C#N)C(=O)OCC	756775071	MFPLXCSIHNHHSH-FZGDARCMSA-N	194.234	1.121	50	20	ADGD	
CNC(=O)NN=C[C@H]1CCC[C@H](C)C1	768361774	WIGBTWSMVLDNLR-IUCAKERBSA-N	197.282	1.728	50	20	ADGD	
CCC(=O)NN=C(C)[C@H]1CCCOC1	779758570	NUFGMJCZRQYFEQ-VIFPVBQESA-N	198.266	1.315	50	20	ADGD	
CC1(C)CCCN(C(=O)CCl)C1	39055048	WMHHDBQSHMXHGU-UHFFFAOYSA-N	189.686	1.874	50	20	ADGD	
O=C(Cl)c1cnc2ccccn12	89157398	DDJYOUHATAPWGO-UHFFFAOYSA-N	180.594	1.713	50	20	ADGD	
Cc1cnc(CCCl)cn1	95348396	GARPOORPEJDNLY-UHFFFAOYSA-N	156.616	1.566	50	20	ADGD	in-vitro
CCOC[C@@H](C)OC(=O)Cl	233760970	URUOILBSAHNFAO-RXMQYKEDSA-N	166.604	1.787	50	20	ADGD	
CCC(C=NNC(C)=O)CC	393672939	LFFOBPJSAJDUOT-UHFFFAOYSA-N	156.229	1.545	50	20	ADGD	
BrC[C@@H]1CC2(CC2)CO1	536953036	RAXBGTDENTYRQH-LURJTMIESA-N	191.068	1.950	50	20	ADGD	
C[C@H]1C[C@H]1C(=O)NNc1ccccn1	777474412	BBTQPFIKWPKMMI-JGVFFNPUSA-N	191.234	1.181	50	20	ADGD	
CCOC(=O)NN=CCC(F)(F)F	817321975	GUVGHMBKJFPCTD-UHFFFAOYSA-N	198.144	1.671	50	20	ADGD	
CC[C@@H]1C[C@H]1NC=C(C#N)C#N	306928489	YJGIJOZVILQPDC-RKDXNWHRSA-N	161.208	1.306	50	20	ADGD	
CC(C)C=NNC(=O)C1CCC1	307968706	VICOAXBDCSYMDF-UHFFFAOYSA-N	168.240	1.545	50	20	ADGD	
Cc1cccnc1NNC(=O)C(C)C	791213648	MSPZVSRIQSCZTC-UHFFFAOYSA-N	193.250	1.489	50	20	ADGD	
C[C@H]1CCCN(C(=O)CCl)CC1	82489765	YPGODUOEYFYWLO-QMMMGPOBSA-N	189.686	1.874	50	20	ADGD	
N#C/C=C\CSc1nncs1	307918043	DEQCUGLTMAITBX-UPHRSURJSA-N	183.261	1.710	50	20	ADGD	
CCCC[C@@H](C)C(C)=NNC(N)=O	308014464	KDYDDEJUSKRRME-SSDOTTSWSA-N	185.271	1.857	50	20	ADGD	
CCC(=O)NN=C1CCO[C@H](C)C1	308316722	VXWPMICOJLHSJD-SSDOTTSWSA-N	184.239	1.068	50	20	ADGD	
Cc1[nH]ccc1C(=O)NN(C)C1CC1	819648586	JSXDKIAYEJGPFW-UHFFFAOYSA-N	193.250	1.062	50	20	ADGD	
CCC(=O)NN=C(CC)[C@H]1C[C@H]1C	841604740	UMPVRZAAMSEOKF-SFYZADRCSA-N	182.267	1.935	50	20	ADGD	
NNC(=O)N[C@H]1C[C@H]1C1CCCCC1	841836430	NYKGCEDXAOPZCO-IUCAKERBSA-N	197.282	1.128	50	20	ADGD	
CC(C)N1CC=C(C#N)CC1	259270472	SDSQZIWIUJFNNP-UHFFFAOYSA-N	150.225	1.550	50	20	ADGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)O	306291747	UDCFSNMYXUNFFC-XVNBXDOJSA-N	192.149	1.212	50	20	ADGD	
CC[C@@H]1CCC[C@H]1NC(=O)CCl	306423771	IGJCCZZTKSDTIN-HTQZYQBOSA-N	189.686	1.920	50	20	ADGD	
CCC(=O)NNc1ccc(Cl)nc1	307188303	WZEQZVBTDRHEJW-UHFFFAOYSA-N	199.641	1.588	50	20	ADGD	
CCC(=O)NN=C1CCC[C@H](C#N)C1	814708932	WMEPGPIMEFDQSG-QMMMGPOBSA-N	193.250	1.582	50	20	ADGD	
CC(CC1CCC1)=NNC(=O)O	824759000	GKDXAAUJTNFGMY-UHFFFAOYSA-N	170.212	1.820	50	20	ADGD	
CCNC(=O)NN=C1CCC(C)CC1	920828511	MEZSQDYYONSPQB-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
C/C=C/C(=O)N1CC=C(C#N)CC1	306433060	VQHUKRHDEICWFA-NSCUHMNNSA-N	176.219	1.245	50	20	ADGD	
COc1ccsc1C=NNC(C)=O	388883013	JDWYXCGAWAGCMP-UHFFFAOYSA-N	198.247	1.227	50	20	ADGD	
CCCNC(=O)NN=C1CCC[C@@H]1C	729141651	BUPGHNSMBPDGAN-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
O=C(NN=CC1CC1)[C@H]1CCCCO1	834987537	XAKRFKXFOCGEKE-SECBINFHSA-N	196.250	1.068	50	20	ADGD	
CCCC(C)=NNC(=O)c1cc[nH]n1	853392089	DNSCLVBSKQPUIP-UHFFFAOYSA-N	194.238	1.316	50	20	ADGD	
CSC[C@@H](Cl)C(=O)O	34504507	YFHYINCCYYGKCG-GSVOUGTGSA-N	154.618	1.041	50	20	ADGD	in-vitro
N#C[C@@H]1C[C@H]1CBr	143897704	KEMARSIEULTSMK-WHFBIAKZSA-N	160.014	1.541	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)C(F)F	308063696	XOIWPDZOKZXIFQ-RXMQYKEDSA-N	178.182	1.400	50	20	ADGD	
CC1(C)C(=NNC(N)=O)[C@H]2CCC[C@H]21	394891508	WMTUTTWZMGLRKT-NKWVEPMBSA-N	195.266	1.467	50	20	ADGD	
O=C(CC1CC1)NCC(Cl)Cl	816604705	SYJJDUACASVDMT-UHFFFAOYSA-N	196.077	1.706	50	20	ADGD	
CN(NC(=O)C1[C@H]2CCC[C@H]12)C1CC1	819648859	VHGGRMLAFIKJDO-IUCAKERBSA-N	194.278	1.158	50	20	ADGD	
CC(C)(C)C=NNC(=O)c1cc[nH]n1	853392719	SAQAMOQGYOYRSB-UHFFFAOYSA-N	194.238	1.171	50	20	ADGD	
CC[C@@H]1CCC[C@@H](NC(=O)NN)C1	82847396	IKUHWWCDJLULOK-HTQZYQBOSA-N	185.271	1.128	50	20	ADGD	
CCC(=NNC(=O)C1CC1)C(C)C	388746551	ZDEBCSXDVVDVLG-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(C)C(=O)NN=Cc1cnsc1	872333562	RUKIIRXIGASDOU-UHFFFAOYSA-N	197.263	1.249	50	20	ADGD	
O=C(NN=C1CCC[C@@H]1F)C1CCC1	872351968	YMSUAKPAYKCUIX-QMMMGPOBSA-N	198.241	1.781	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1CCCCO1	920394844	VAHYNBRLUZBJSM-SNVBAGLBSA-N	191.234	1.076	50	20	ADGD	
CN1CC[C@H](CN=C=S)C1	37485146	BYPFTFDCTGOHNO-SSDOTTSWSA-N	156.254	1.041	50	20	ADGD	
O=CC1(CCl)CCCC1	306193107	CLIBRIJIBKSVML-UHFFFAOYSA-N	146.617	1.985	50	20	ADGD	
CC(=O)NNc1ccc(F)cc1C	306308679	LCIVJUUKFZWOTI-UHFFFAOYSA-N	182.198	1.597	50	20	ADGD	
C#C[C@]1(O)CCCC[C@H]1Cl	4794472	AHKHTUCIZISCAB-SFYZADRCSA-N	158.628	1.532	50	20	ADGD	
COC(=O)NN=C(C)CC1CC1	388496183	KBRPEWNVZNCVSP-UHFFFAOYSA-N	170.212	1.518	50	20	ADGD	
CCn1nccc1NC=C(C#N)C#N	747827303	MJGPZXFSGZSAJE-UHFFFAOYSA-N	187.206	1.246	50	20	ADGD	
CN(NC(=O)c1ccsc1)C1CC1	819643002	VBHQNECYFPKIBG-UHFFFAOYSA-N	196.275	1.487	50	20	ADGD	
CC(=NNC(=O)O)C1CCC1	823527467	KOPFKGWZJREDHD-UHFFFAOYSA-N	156.185	1.430	50	20	ADGD	
CCC(=O)NN=Cc1ccccc1F	915916727	MDDQBDDOYCEECH-UHFFFAOYSA-N	194.209	1.686	50	20	ADGD	
CCOC(=O)NN=C[C@H](C#N)C(C)C	1322871349	FKSYXNAYYXJAFH-QMMMGPOBSA-N	197.238	1.514	50	20	ADGD	
C/C(C#N)=C\CSCCC(=O)O	1588543823	TVYHZTOWEOPWCE-FARCUNLSSA-N	185.248	1.664	50	20	ADGD	
CCC(=O)NN=C(C(C)C)C1CC1	308316467	VVJGVLXQKQXAHU-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(=NNC(=O)C1CC1)[C@H]1CCCO1	783787365	CKJMDQNLYHRQFI-SECBINFHSA-N	196.250	1.068	50	20	ADGD	
O=C(NN=C1CCC12CCC2)C1CC1	799866634	NNBNSZUHAGOAIP-UHFFFAOYSA-N	192.262	1.833	50	20	ADGD	
C[C@H]1CN(C(=O)CCl)C[C@@H]1C	86011486	QMZUIZQCISIHKT-BQBZGAKWSA-N	175.659	1.340	50	20	ADGD	
CCOC(=O)NN=C(C)c1ccco1	255995326	PSQVEVMYYAVIDQ-UHFFFAOYSA-N	196.206	1.750	50	20	ADGD	
CC[C@@H](C)C(=O)N1CC=C(C#N)CC1	767160525	SXBBLBNLYVNBHQ-SECBINFHSA-N	192.262	1.715	50	20	ADGD	
FC1(F)COC[C@@H]1Br	1879941320	WBTVBJACTVGHNQ-VKHMYHEASA-N	186.983	1.415	50	20	ADGD	
CC(C)C1CCC(=NNC(N)=O)CC1	69606601	KAXXNFCZZXSCCF-UHFFFAOYSA-N	197.282	1.857	50	20	ADGD	
CCOCC(C)=NN(C)C(=O)OC	308309260	QCLOYHFCWMNTTR-UHFFFAOYSA-N	188.227	1.097	50	20	ADGD	
CC(=O)NN=C[C@@]1(C)CCCS1	379322011	GNOUWFFUQGUSDK-MRVPVSSYSA-N	186.280	1.394	50	20	ADGD	
OCCS[C@H](Cl)C(F)(F)F	4204945	GGHOLTWQSNDMNG-VKHMYHEASA-N	194.605	1.839	50	20	ADGD	
CC(C)S(=O)(=O)CCCCCl	32009737	LINKIHXFMCKCDE-UHFFFAOYSA-N	198.715	1.829	50	20	ADGD	
CCC[C@@H](CC(C)C)C(=O)NNC	704682278	WAPUEKLSYMEOCO-VIFPVBQESA-N	186.299	1.699	50	20	ADGD	
CC1(C)C(=NNC(=O)O)[C@H]2CCO[C@H]21	736726979	BKUQCBFFAJZVON-IYSWYEEDSA-N	198.222	1.055	50	20	ADGD	
COCC(=O)NN=C1CCC12CCC2	799880614	DTIWGOQGRDWBQI-UHFFFAOYSA-N	196.250	1.069	50	20	ADGD	
CCCCC[C@H](C(=O)NN)C(C)C	825651570	DASFZSPPLUEKEQ-VIFPVBQESA-N	186.299	1.829	50	20	ADGD	
Cc1ccc2oc(C(=O)NN)cc2c1	42273648	XNCDBBTWVMKGNW-UHFFFAOYSA-N	190.202	1.345	50	20	ADGD	
ClC[C@@H]1CO[C@H](c2ccoc2)O1	95908491	CFINBEFKAMFHOV-SFYZADRCSA-N	188.610	1.932	50	20	ADGD	
CCCC(CC)=NNC(=O)N(C)C	308388933	YQHMKBSIQBQOOS-UHFFFAOYSA-N	185.271	1.824	50	20	ADGD	
CC(=O)NN=C1CCC[C@@H]1C(C)C	379399678	HKXKESUZTUKOGW-SECBINFHSA-N	182.267	1.935	50	20	ADGD	
CCCC(CCC)=NNC(=O)CO	379418677	WMHTWLYRGJESEZ-UHFFFAOYSA-N	186.255	1.051	50	20	ADGD	
C#CC1(OC(=O)Cl)CCC1	716356120	OKBZGBUIQYOOSB-UHFFFAOYSA-N	158.584	1.918	50	20	ADGD	
Cc1occc1C=NNC(=O)C(C)C	841608994	PEIAFYRLBQNPTP-UHFFFAOYSA-N	194.234	1.694	50	20	ADGD	
O=C(NNc1ccc(F)cn1)C1CC1	874652140	VKRUOPXZNJIVMA-UHFFFAOYSA-N	195.197	1.074	50	20	ADGD	
C[C@H]1CCC[C@H](NC(=O)NN)CC1	235579028	ISDFVSDCNGJKED-YUMQZZPRSA-N	185.271	1.128	50	20	ADGD	
CCC(=O)NN=CC(CC)CC	379327414	KOYLZHYANAWTRW-UHFFFAOYSA-N	170.256	1.935	50	20	ADGD	
CCc1nocc1/C=C(/C#N)C(=O)O	1610075861	UJDRASVOGYBTCY-UTCJRWHESA-N	192.174	1.229	50	20	ADGD	
CC1(C)CCCCC1=NNC(N)=O	17156786	QPOUFWUVMCPNPK-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
Cc1ccc2c(c1)C(=O)OC(=O)C2	100288906	OPECHWNBIKSYDC-UHFFFAOYSA-N	176.171	1.235	50	20	ADGD	
CCC[C@@H](C)CC(=O)NN(C)C1CC1	819645918	GRVVRTWXNADTBR-SECBINFHSA-N	198.310	1.938	50	20	ADGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NN	825652526	VWAOYJVYOKCQSN-RNFRBKRXSA-N	196.275	1.150	50	20	ADGD	
Cc1ccc(NNC(=O)C2CC2)cc1	912596345	IVCCIYSJEWQMKW-UHFFFAOYSA-N	190.246	1.848	50	20	ADGD	
O=C=Nc1cnc(Cl)nc1	1898227655	ZGTWIIAPKABFFR-UHFFFAOYSA-N	155.544	1.097	50	20	ADGD	
O=C/C=C/c1cnc2ccccc2n1	86207859	VBJJHIRQYNCQJH-ONEGZZNKSA-N	184.198	1.842	50	20	ADGD	
NNC(=O)C1[C@@H]2CCCCCC[C@@H]12	306653612	HBUBWNIWCJDVGU-HTQZYQBOSA-N	182.267	1.193	50	20	ADGD	
CC(=O)NN=C1C[C@H](C)O[C@H](C)C1	307743828	NCLIFUSGXIUYEB-KNVOCYPGSA-N	184.239	1.066	50	20	ADGD	
Cc1ccc(NC=C(C#N)C#N)cn1	769775798	GWNKRLZQLXUOSH-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
CNC(=O)NN=C1C[C@@H](C)CC[C@@H]1C	834944277	NHGRXGBIVCLBPD-YUMQZZPRSA-N	197.282	1.728	50	20	ADGD	
CC(C)C[C@@H]1C[C@H]1NC=C(C#N)C#N	840727834	GTJPOHZZOIJMCL-GHMZBOCLSA-N	189.262	1.942	50	20	ADGD	
CCOC(=O)/C(C#N)=C\NC(C)(C)C	105818243	WBRDKHBEMCROEL-FPLPWBNLSA-N	196.250	1.345	50	20	ADGD	
CN(C)C(=O)NCC(Cl)Cl	306805807	ARVJARHRWFFWND-UHFFFAOYSA-N	185.054	1.061	50	20	ADGD	
CNC(=O)NN=C1C[C@@H](C)C[C@H](C)C1	747753781	MGCBCWMFYJHTSL-YUMQZZPRSA-N	197.282	1.728	50	20	ADGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NN	841850306	KGZGQOUESACBKN-SFYZADRCSA-N	199.298	1.374	50	20	ADGD	
N#CC(C#N)=CNCc1ccsc1	306154612	DQMKTKYPXAGIDA-UHFFFAOYSA-N	189.243	1.769	50	20	ADGD	
CC(=O)NNc1ncccc1Cl	307330471	NNFZDMDYLIRIBK-UHFFFAOYSA-N	185.614	1.198	50	20	ADGD	
CC(CC1CCC1)=NNC(=O)N(C)C	758374133	BAHSXUXGKTYDSZ-UHFFFAOYSA-N	197.282	1.824	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)C(C)(C)O	807983740	WFYCCVSOTGDVLH-ZETCQYMHSA-N	198.266	1.050	50	20	ADGD	
C[C@H]1C[C@@H](NC=C(C#N)C#N)CS1	840730746	TXWINOITNGJQLT-IONNQARKSA-N	193.275	1.401	50	20	ADGD	
C[C@@H](CC(=O)NN)c1ccc(F)cc1	918147463	JAHKHPZHGORMSA-ZETCQYMHSA-N	196.225	1.309	50	20	ADGD	
Cc1cnn(C[C@H](CN)CCl)c1	1898204090	JSHLTLGGHHBBEL-QMMMGPOBSA-N	187.674	1.005	50	20	ADGD	
COC(=O)NN=C(C)c1cncs1	308471131	KMNTYGQVFNJPHS-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
CCC(CC)=NNC(=O)C(F)F	388401681	OJXDZXGMCHDCAI-UHFFFAOYSA-N	178.182	1.544	50	20	ADGD	
CC(=O)NN=C(C)c1ccc(F)cn1	770599446	SCSBKQSKHPXMMX-UHFFFAOYSA-N	195.197	1.081	50	20	ADGD	
CCNC(=O)NN=C(C)c1ccco1	920828393	HYNSPKSYEOJWRR-UHFFFAOYSA-N	195.222	1.323	50	20	ADGD	
C=C(CC)C(=O)NN(C)C1CC1	1123810887	PMPGMYBQPZNHNE-UHFFFAOYSA-N	168.240	1.078	50	20	ADGD	
CCNC(=O)NN=C1C=C(C)CC1	308493102	SBOVXUJPWKBFHL-UHFFFAOYSA-N	181.239	1.402	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C1COC[C@@H]1C	884419596	VWIRCMBADGHHMV-SFYZADRCSA-N	198.266	1.171	50	20	ADGD	
N#CC1=CCN(C(=O)CCCF)CC1	1331019845	XCCQVQZZZAEQSM-UHFFFAOYSA-N	196.225	1.418	50	20	ADGD	
CC[C@@H](C(=O)O)N1CC=C(C#N)CC1	1609889660	JVRUQZOGWYIPTO-VIFPVBQESA-N	194.234	1.005	50	20	ADGD	
N#CC(C#N)=CNCc1ccco1	18077135	URSORUSHSBEVHK-UHFFFAOYSA-N	173.175	1.300	50	20	ADGD	
CC(C)NC(=O)NNc1ccccc1	202726010	IBZDTIJXADAPQN-UHFFFAOYSA-N	193.250	1.721	50	20	ADGD	
C=CCSCCNC=C(C#N)C#N	308321318	BIQMSVYLRKBIEH-UHFFFAOYSA-N	193.275	1.426	50	20	ADGD	
COC(=O)N(C)N=C1C=C(C)CC1	308480467	NDIFNPPOPJBBEL-UHFFFAOYSA-N	182.223	1.781	50	20	ADGD	
CC1(C)CN(C(=O)Cl)CCO1	86889833	SAZSIALAAMRDMH-UHFFFAOYSA-N	177.631	1.456	50	20	ADGD	
Cc1ncccc1/C=C(/C#N)C(=O)O	306923784	GWLDJQZVMJCOHQ-UITAMQMPSA-N	188.186	1.382	50	20	ADGD	
CCNC(=O)NN=CCC(C)(C)C	308443458	AAILCDFEZUMALU-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
COC(=O)NN=Cc1sccc1C	379416639	SCZWTDAAIMDEOP-UHFFFAOYSA-N	198.247	1.746	50	20	ADGD	
CCOCC(=O)NN=C1CCC[C@@H]1C	731154359	IPUXAGDLWFVOGH-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
C[C@H]1CCC(=NNC(=O)C(C)(C)O)C1	814908728	FJALEABCXXRQPM-ZETCQYMHSA-N	198.266	1.050	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@H](C)C1	920829015	WGUWCTFOKYWNRE-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
CC(=O)NNc1cccc(C#N)c1	307303344	VZJOXNIHHDHXGU-UHFFFAOYSA-N	175.191	1.021	50	20	ADGD	
C[C@@H]1CCCC1=NNC(=O)C(F)F	393586819	VGWRAPZSHPNJRT-RXMQYKEDSA-N	190.193	1.544	50	20	ADGD	
CC(C)NC(=O)N1CC=C(C#N)CC1	867069215	GUDMWOQBRRINCB-UHFFFAOYSA-N	193.250	1.260	50	20	ADGD	
O=C(O)CCC(Cl)Cl	78810521	YRXKPSUSWQDWDH-UHFFFAOYSA-N	156.996	1.655	50	20	ADGD	
CCCCCNS(=O)(=O)CCl	82511988	IWJCZCMOTITVDV-UHFFFAOYSA-N	199.703	1.292	50	20	ADGD	
N#CC(C#N)=CNC1CCCC1	307296782	OXNQOLSHHYNLRR-UHFFFAOYSA-N	161.208	1.450	50	20	ADGD	
CC(=NNC(=O)CC1CC1)C(C)C	378797760	RNCWEUPDXZBURY-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CC(C)NC(=O)NN=CC1CC1	379319047	ODVAFSCJLJVLSZ-UHFFFAOYSA-N	169.228	1.090	50	20	ADGD	
CCC(=O)NN=C(C)c1ccsc1	379400807	JMJOYHVGPGPVTR-UHFFFAOYSA-N	196.275	1.998	50	20	ADGD	
CN(NC(=O)C[C@H]1C=CCC1)C1CC1	819643071	WCQADNZPVGZRLO-VIFPVBQESA-N	194.278	1.468	50	20	ADGD	
C[C@@H](F)CBr	95934702	DFMOYZCKOYEADZ-GSVOUGTGSA-N	140.983	1.739	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@H]1CC	758374930	KXZQXGLKAJESHN-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
CCC[C@H]1CCC[C@@H]1C(=O)NN	852874373	OQTSOPHZIMNSPW-YUMQZZPRSA-N	170.256	1.193	50	20	ADGD	
CCOC(C)(C)CNC(=O)CCl	166990252	ZNVMDNDVMGZMOP-UHFFFAOYSA-N	193.674	1.157	50	20	ADGD	
CC(C)n1cc(C=C(C#N)C#N)nn1	306489764	MGZALQQWMIOGFU-UHFFFAOYSA-N	187.206	1.290	50	20	ADGD	
CCC(=NNC(=O)N(C)C)C1CC1	308290084	GNFHUSLXJNWXNY-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
COC(=O)N(C)N=Cc1cc[nH]c1	308458482	GREZFKNXBIGCJM-UHFFFAOYSA-N	181.195	1.047	50	20	ADGD	
CNC(=O)NN=C1CC[C@@H](C)C[C@@H]1C	783833373	XOQWJCFCTCHIHX-SFYZADRCSA-N	197.282	1.728	50	20	ADGD	
CNC(=O)/C(C#N)=C/c1ccc(C)o1	915860614	XZYHXNWYIIBCEJ-VMPITWQZSA-N	190.202	1.241	50	20	ADGD	
C[C@H]1CN(C(=O)Cl)CCCO1	86894267	GYIYIQLBKZQYSC-LURJTMIESA-N	177.631	1.456	50	20	ADGD	
O=C(Cl)OC[C@H]1CCOC1	113740173	PHQKIUPPNNKRHG-YFKPBYRVSA-N	164.588	1.398	50	20	ADGD	
CC(C)CC(C)(C)C(=O)NN	200680896	VZBGBZQRYQSELU-UHFFFAOYSA-N	158.245	1.049	50	20	ADGD	
CC(=O)NN=C1CC[C@H](C)[C@@H](C)C1	308143733	AIDKPMVFTZGZPK-YUMQZZPRSA-N	182.267	1.935	50	20	ADGD	
CCCNC(=O)NN=C[C@@H](C)CC	308216737	AJNUNOLEYPYGIT-QMMMGPOBSA-N	185.271	1.728	50	20	ADGD	
CSSCCN[C@@H](C)[C@@H](C)O	397759715	HQAGSPNUEUHPJA-NKWVEPMBSA-N	195.353	1.357	50	20	ADGD	
CC[C@@H]1CCCC1=NNC(=O)N(C)C	758375356	RKBICYORIKAMPF-MRVPVSSYSA-N	197.282	1.824	50	20	ADGD	
CC[C@@H]1CCCCC1=NNC(=O)CO	779785042	NGRJLYCSKXXKGU-MRVPVSSYSA-N	198.266	1.051	50	20	ADGD	
N#C/C(=C\C1CC1)C(=O)OCC1CC1	786670289	PCZLIABQEAMNQR-BJMVGYQFSA-N	191.230	1.800	50	20	ADGD	
O=C(CCl)NCCC(F)(F)F	63100379	GPORSQOZIDWRFQ-UHFFFAOYSA-N	189.564	1.294	50	20	ADGD	
Cc1ncccc1NC=C(C#N)C#N	745975638	BAQUMCKWCUKQOB-UHFFFAOYSA-N	184.202	1.733	50	20	ADGD	
CCc1ncc(NC=C(C#N)C#N)cn1	746523336	VEXBEGBETFUOSY-UHFFFAOYSA-N	199.217	1.382	50	20	ADGD	
C/C(Cl)=C\C(=O)NN(C)C1CC1	911291309	DLOCVPPQTHVWTO-AATRIKPKSA-N	188.658	1.254	50	20	ADGD	
CNC(=O)NN=C(C)c1ccc(C)o1	920379585	YVQDJMYCURLFCX-UHFFFAOYSA-N	195.222	1.241	50	20	ADGD	
C[C@@H](CCl)CO[C@@H]1CCOC1	70067069	YQQLECWLSBFJAB-JGVFFNPUSA-N	178.659	1.667	50	20	ADGD	
CN(C(=O)Cl)[C@@H]1CCSC1	82396836	HQHHZULCRNMQEA-RXMQYKEDSA-N	179.672	1.783	50	20	ADGD	
Cc1ccc(C(C)(C)C(=O)NN)cc1	258957057	GCMBYAQMPUWKDH-UHFFFAOYSA-N	192.262	1.263	50	20	ADGD	
CC1(C)CCC[C@@H](C(=O)NN)C1	307155336	VKOXYOYBQOVKFK-SSDOTTSWSA-N	170.256	1.193	50	20	ADGD	
CC1CCC(=NN(C)C(N)=O)CC1	307403504	DSWFWFIKSDLDGK-UHFFFAOYSA-N	183.255	1.563	50	20	ADGD	
C[C@@H]1CCCCCC1=NNC(N)=O	379339303	LJBRRJFCLMMSCL-SSDOTTSWSA-N	183.255	1.611	50	20	ADGD	
CCNC(=O)N(C)N=CCC(C)C	379416047	QVIKLSRXIWFJGI-UHFFFAOYSA-N	185.271	1.680	50	20	ADGD	
O=C(CCl)c1cnn(C(F)F)c1	585142728	NFNPOBANNXJGDK-UHFFFAOYSA-N	194.568	1.700	50	20	ADGD	
CC(=NNC(N)=O)c1cc(C)oc1C	252448600	YOLJGBHJJZTOQZ-UHFFFAOYSA-N	195.222	1.289	50	20	ADGD	
CCOC(=O)NN=C1CC[C@H]1CC	308395745	DAOBKIFWTLMKLW-SSDOTTSWSA-N	184.239	1.909	50	20	ADGD	
CC[C@H](C)C(=O)NN=C[C@H]1C[C@H]1C	308136564	ADNVRLYQGIDIDE-DJLDLDEBSA-N	182.267	1.791	50	20	ADGD	
CCC(=NNC(=O)N(C)C)C(C)C	308251382	BFIQETOHJMUUSG-UHFFFAOYSA-N	185.271	1.680	50	20	ADGD	
CNC(=O)NN=C1C[C@@H](C)C[C@@H](C)C1	747753780	MGCBCWMFYJHTSL-OCAPTIKFSA-N	197.282	1.728	50	20	ADGD	
CC[C@H](C)C=NNC(=O)NCC1CC1	755669322	VVPKFSBHJOXMFT-QMMMGPOBSA-N	197.282	1.728	50	20	ADGD	
CC(CCCCO)=NNC(=O)C1CC1	766682099	KAHYATHBDSKZMU-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
O=C(CCl)N1CCC(F)(F)CC1	39055210	GFSOLVXDIRDIHL-UHFFFAOYSA-N	197.612	1.483	50	20	ADGD	
CCC(=NNC(N)=O)[C@H]1CC1(C)C	397653677	FKLKPRPFSPCBBZ-ZCFIWIBFSA-N	183.255	1.467	50	20	ADGD	
CNC(=O)NN=C1CCC[C@H](C)C1	388594753	NNFJMCBBEISCQY-ZETCQYMHSA-N	183.255	1.482	50	20	ADGD	
C[C@H]1C[C@@H]1C=NNC(=O)c1ccc[nH]1	758374372	RXMYXEHUUZTJOG-JGVFFNPUSA-N	191.234	1.386	50	20	ADGD	
C[C@@H]1CCC[C@H]1CNC=C(C#N)C#N	798345575	XQPZQLUDDBPSCQ-KOLCDFICSA-N	189.262	1.943	50	20	ADGD	
C[C@@H]1OCCC1=NNC(=O)CC1CC1	814988467	IFEHEEMOPBQYOJ-ZETCQYMHSA-N	196.250	1.068	50	20	ADGD	
CC(C)NC(=O)NN=C1CC[C@@H]2C[C@H]12	872346163	JSVYOTJXLPJKMC-SFYZADRCSA-N	195.266	1.480	50	20	ADGD	
Cc1cc(=O)c(C)c(CCl)[nH]1	1690154910	YOKPSIVSSNLIIO-UHFFFAOYSA-N	171.627	1.731	50	20	ADGD	
CCn1ncnc1C[C@@H](C)CCl	85044057	AVHMBTSVVGYIKQ-SSDOTTSWSA-N	187.674	1.715	50	20	ADGD	
CN(Cc1cscn1)C(=O)Cl	86894165	MVSYMPFQPKUXDO-UHFFFAOYSA-N	190.655	1.934	50	20	ADGD	
FC(F)C1=NO[C@@H](CCl)C1	224977902	QAGZCAMLPJMDHK-GSVOUGTGSA-N	169.558	1.635	50	20	ADGD	
Cn1c(CCl)cnc1Cl	140623498	KVPJDLJNRULUOP-UHFFFAOYSA-N	165.023	1.812	50	20	ADGD	
C[C@H](Cl)C(=O)N1CC[C@H](F)C1	409422374	DBXUIJFTBRJXSK-WDSKDSINSA-N	179.622	1.184	50	20	ADGD	
CC1(C)CCCC(=NNC(=O)CO)C1	776780092	DOHMPQDCBVYVFJ-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CC[C@H]1CCCC[C@@H]1C(=O)NN	876788547	CMGLWWSTPPQRSG-YUMQZZPRSA-N	170.256	1.193	50	20	ADGD	
Cc1nc([C@@H](C)Cl)no1	98108770	FDXBSPHBDFTEMI-GSVOUGTGSA-N	146.577	1.678	50	20	ADGD	in-vitro
C[C@@H]1CC[C@H](NC(=O)CCl)C1	128621830	KXYPULDXVDGXJG-RQJHMYQMSA-N	175.659	1.530	50	20	ADGD	
CC(=O)NN=Cc1cc(C)[nH]c1C	388704853	OCNQEHIRQCSHEW-UHFFFAOYSA-N	179.223	1.102	50	20	ADGD	
CC(CCC(C)C)=NNC(N)=O	252447050	FLTZOOFHUTYXMK-UHFFFAOYSA-N	171.244	1.467	50	20	ADGD	
CCCCC=NNC(=O)NCC	307974984	KAEWOAFDYYKTBX-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
C=CCCNC(=O)/C(C#N)=C\OCC	855381810	FEKLFCIEXVEQLB-HJWRWDBZSA-N	194.234	1.123	50	20	ADGD	
Cn1cc(CCCCCl)cn1	70780554	VVWLSHQTTISNRK-UHFFFAOYSA-N	172.659	1.982	50	20	ADGD	
CCC[C@H](C#N)NC(=O)CCl	307742450	VASYGUZCSZQKLV-ZCFIWIBFSA-N	174.631	1.034	50	20	ADGD	
NNC(=O)/C(F)=C\C1CCCCC1	825639780	TZLRSKHMTONGCY-SOFGYWHQSA-N	186.230	1.410	50	20	ADGD	
CC[C@@H](C)CC=NNC(=O)C1CC1	834917653	HOJAUZMBZGMHIX-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
C=CC(=O)N(C)CC(Cl)Cl	1338394980	PSVRUBUJCVTEMQ-UHFFFAOYSA-N	182.050	1.435	50	20	ADGD	
Cc1[nH]c2ccccc2c1C(=O)NN	36962767	AIIACLOMOZANNC-UHFFFAOYSA-N	189.218	1.080	50	20	ADGD	
CCOC(=O)[C@H](Cl)C(C)C	39617616	NBFKEXJJXICYDE-ZCFIWIBFSA-N	164.632	1.813	50	20	ADGD	
CCCCCCC=NNC(N)=O	256087899	JEIZDDKERVSNID-UHFFFAOYSA-N	171.244	1.611	50	20	ADGD	
COC(=O)NN=C1C=C(C)CCC1	308482407	NUDQDZSNISVLCJ-UHFFFAOYSA-N	182.223	1.829	50	20	ADGD	
COCCCCCNC=C(C#N)C#N	746690106	LFLBSKCTEMGYJO-UHFFFAOYSA-N	193.250	1.324	50	20	ADGD	
Cc1ccccc1NNC(=O)C1CC1	865531391	WCBRJZSGKGFOBX-UHFFFAOYSA-N	190.246	1.848	50	20	ADGD	
NC(=O)NN=C/C=C/c1ccccc1	254808320	PZZOBYAGIHBRPI-MCOJTXNVSA-N	189.218	1.354	50	20	ADGD	
CCCNC(=O)NN=C1CCCC1	306653050	GPSZLJHYRGSFNL-UHFFFAOYSA-N	183.255	1.626	50	20	ADGD	
CCNC(=O)NN=C1CCC[C@@H]1C	308483012	NZOJQWKQGDMMQC-ZETCQYMHSA-N	183.255	1.482	50	20	ADGD	
CC(=NNC(N)=O)[C@@H]1CCCC[C@H]1C	379415688	YFJUQOYKHUHKAL-VXNVDRBHSA-N	197.282	1.857	50	20	ADGD	
C[C@@H](CCC(C)(C)C)NC(=O)NN	395223432	TXCPLPDZZDCUHV-ZETCQYMHSA-N	187.287	1.374	50	20	ADGD	
C[C@@H]1C(=NN(C)C(N)=O)CCC[C@H]1C	781128672	SGCWUXXXJNHDOW-SFYZADRCSA-N	197.282	1.809	50	20	ADGD	
O=C(NN=CC1CC1)[C@@H]1CCCCO1	834987539	XAKRFKXFOCGEKE-VIFPVBQESA-N	196.250	1.068	50	20	ADGD	
CC[C@H](C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872344488	VDQVZOYLZKZDEA-YIZRAAEISA-N	194.278	1.935	50	20	ADGD	
CC[C@@H]1CCCC[C@@H]1C(=O)N(C)N	1573714122	YTGUDTDYGSSQSF-BDAKNGLRSA-N	184.283	1.535	50	20	ADGD	
Cn1ccc(C=C(C#N)C#N)c1	113756352	LFCMZEZYTPYFKT-UHFFFAOYSA-N	157.176	1.456	50	20	ADGD	
NC(=O)NN=Cc1ccccc1Cl	253624323	UCORKYYVARLZQL-UHFFFAOYSA-N	197.625	1.342	50	20	ADGD	
COC(=O)NN=Cc1ccc(F)cc1	308458708	CPZLXSHAVPIDEE-UHFFFAOYSA-N	196.181	1.516	50	20	ADGD	
CC(=O)NN=C(C)c1sccc1O	379407017	XSZCGTQJELQLTQ-UHFFFAOYSA-N	198.247	1.314	50	20	ADGD	
CC(=O)NNC(=O)C1CCCCCC1	726190688	UENMDALXXWQOKC-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
C[C@@H](C#N)OC(=O)/C(C#N)=C/C1CC1	786675561	JYFIVJZEGIRKGB-FGROQZRYSA-N	190.202	1.302	50	20	ADGD	
CN(NC(=O)C1=CCCC1)C1CC1	819649831	ZDFPAWFENWHTDH-UHFFFAOYSA-N	180.251	1.222	50	20	ADGD	
CCC(=NNC(=O)NC)[C@@H]1C[C@H]1C	841620578	JAEGOWRMXFPDFD-RNFRBKRXSA-N	183.255	1.337	50	20	ADGD	
CC(C)CC(=O)NN=CC1CC1	307971805	YKWJBAIGQFRILP-UHFFFAOYSA-N	168.240	1.545	50	20	ADGD	
C=CCOC(=O)/C(C#N)=C/C1CC1	308330894	KOTNELULQWQRGM-RMKNXTFCSA-N	177.203	1.576	50	20	ADGD	
C[C@H]1CC[C@H](C=NNC(=O)N(C)C)C1	800811257	NOWXFGWQYRBGDU-IUCAKERBSA-N	197.282	1.680	50	20	ADGD	
CC[C@H](C)C=NNC(=O)c1cc[nH]n1	853392383	OAOZUWKECJWBFU-ZETCQYMHSA-N	194.238	1.171	50	20	ADGD	
CC[C@H](CC(=O)NN)C(C)C	307733614	SEMGLAJSPMJELD-SSDOTTSWSA-N	158.245	1.049	50	20	ADGD	
C=CCCC(=O)NCCCSC#N	308261468	MUGUSCCNTNCCLZ-UHFFFAOYSA-N	198.291	1.673	50	20	ADGD	
CNC(=O)NN=CC1CCCCC1	308282368	YJSXWMKLLQKKMD-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CC[C@@H]1[C@H](Cl)[C@H]1C(=O)O	536953539	ISMAHACOZMEGFP-YUPRTTJUSA-N	148.589	1.334	50	20	ADGD	
COCC(=O)NN=C(C)CC1CCC1	761821038	AIDRCKJHJFPXDO-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCC(=NNC(=O)NC)c1ccco1	814814774	ZPEICPYPEHZMTF-UHFFFAOYSA-N	195.222	1.323	50	20	ADGD	
C/C=C/CI	82879863	LOPHPAWGOMDGMA-NSCUHMNNSA-N	182.004	1.998	50	20	ADGD	in-vitro
CCCNC(=O)NN=C1CC[C@@H]1CC	807965544	BVXNZGZZUVPRFP-QMMMGPOBSA-N	197.282	1.872	50	20	ADGD	
CCNC(=O)NN=CCC(F)(F)F	817323572	QFRJRWNUMJCKAX-UHFFFAOYSA-N	197.160	1.244	50	20	ADGD	
CCC(=O)NN=C1COC(C)(C)C1	841605082	WJEIZFCFLJDFRE-UHFFFAOYSA-N	184.239	1.068	50	20	ADGD	
CCNC(=O)NN=C(C)C(C)C	307946345	JPNMUBQNSXBIMA-UHFFFAOYSA-N	171.244	1.337	50	20	ADGD	
CCOCC(C)=NNC(=O)OCC	308309551	QITAHIXOEICYQU-UHFFFAOYSA-N	188.227	1.145	50	20	ADGD	
FC1(F)C[C@@H]1OCCCl	409431351	JNDSTXCYMUSSSE-BYPYZUCNSA-N	156.559	1.649	50	20	ADGD	
C=CCCCCCCCNC(=O)NN	841903880	CCBNQEDJCWIELH-UHFFFAOYSA-N	199.298	1.686	50	20	ADGD	
C[C@@H]1COC[C@@H]1CCl	66054524	KMOYMQUNADPLGJ-RITPCOANSA-N	134.606	1.508	50	20	ADGD	
CCCCCC(C)=NNC(N)=O	252674974	WJHQTMLTBJCPEQ-UHFFFAOYSA-N	171.244	1.611	50	20	ADGD	
NNC(=O)C[C@@H]1CCc2ccccc21	306553451	DRDYMKVJZRYOBH-VIFPVBQESA-N	190.246	1.096	50	20	ADGD	
CN(C)C(=O)NN=CCCC1CC1	308332464	JMHDWQCADLXTGC-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
CNC(=O)NN=C1CCC[C@@H](C)C1	388594748	NNFJMCBBEISCQY-SSDOTTSWSA-N	183.255	1.482	50	20	ADGD	
CCCC=NNC(=O)[C@@H]1CCO[C@H]1C	842561729	MOZWYPQXWTXIEK-DTWKUNHWSA-N	198.266	1.314	50	20	ADGD	
C[C@@H](CCl)Cc1nncn1C	307217441	CDXHVUOIAZKRIT-ZCFIWIBFSA-N	173.647	1.233	50	20	ADGD	
C[C@H]1C[C@@H]1C(=O)NCCCSC#N	379415720	QDTBEIQGKXTHDE-YUMQZZPRSA-N	198.291	1.363	50	20	ADGD	
CC[C@H]1CCCCC1=NNC(=O)CO	779785045	NGRJLYCSKXXKGU-QMMMGPOBSA-N	198.266	1.051	50	20	ADGD	
CCC(=O)NN=C[C@](C)(OC)C1CC1	814708119	DZFHMIFLIIGQDL-JTQLQIEISA-N	198.266	1.314	50	20	ADGD	
NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	841837184	BPCGEZVATYJZQV-IWSPIJDZSA-N	197.282	1.128	50	20	ADGD	
N#CC1=CCN(CCCCF)CC1	388321610	XMLDEQQHMMSYKP-UHFFFAOYSA-N	182.242	1.892	50	20	ADGD	
CC(=O)NN=Cc1ccc(C)o1	388383782	WZWUZIGHJZOIEY-UHFFFAOYSA-N	166.180	1.058	50	20	ADGD	
CC#CC(=O)NNc1ccc(C#N)cc1	801176159	PRTHPGHWYWQQEU-UHFFFAOYSA-N	199.213	1.025	50	20	ADGD	
CN(N=C1CCCCC1)C(N)=O	306966282	OIMUTCYVVOGJEH-UHFFFAOYSA-N	169.228	1.317	50	20	ADGD	
COCCC(C)=NNC(=O)C1CCC1	814846106	ANSNYBBCSWWPSV-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
C/C(C#N)=C/CSC[C@H](C)C(=O)O	1589323354	AJOWHOLXONJDKC-PFPYCLJUSA-N	199.275	1.910	50	20	ADGD	
CCC(=O)NN=Cc1ccsc1	307954879	QPOZPXLIACBEEB-UHFFFAOYSA-N	182.248	1.608	50	20	ADGD	
CCCCC(CC)=NNC(=O)CO	308417819	NTFGGIKGHYPRPF-UHFFFAOYSA-N	186.255	1.051	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CC[C@H](CF)C1	409428316	MDVWXUYHWZCESR-RNFRBKRXSA-N	193.649	1.432	50	20	ADGD	
C=CCN(C)C(=O)/C(C#N)=C\OCC	779126307	XFFHZECVLDBWHS-HJWRWDBZSA-N	194.234	1.075	50	20	ADGD	
N#CC(C#N)=CNC[C@H]1CCC=CO1	780145980	BCLVDBPPJDEINF-SNVBAGLBSA-N	189.218	1.200	50	20	ADGD	
C[C@@H]1CCCC[C@@H]1C=NN(C)C(N)=O	783865490	ZPJRSQCODZMCCW-RKDXNWHRSA-N	197.282	1.809	50	20	ADGD	
CC(=O)NN=C1CCCc2occc21	814693066	UGWPIEKZIPXDFZ-UHFFFAOYSA-N	192.218	1.456	50	20	ADGD	
CN(N=C1CC[C@@H]1C1CCC1)C(N)=O	814890865	DASQRAUZIUCDJZ-MRVPVSSYSA-N	195.266	1.563	50	20	ADGD	
CC[C@H](Cl)C(=O)N1CCCC1	50984591	IBUSCXMNFKPWMP-ZETCQYMHSA-N	175.659	1.626	50	20	ADGD	
CC[C@H]1CCC1=NNC(=O)NC	308001506	ZTSXPLLDUBXZGX-LURJTMIESA-N	169.228	1.091	50	20	ADGD	
CC(=O)NN=C1CCCC12CCC2	834919302	RTIOSLCTTGHBPC-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NN	852874371	OQTSOPHZIMNSPW-SFYZADRCSA-N	170.256	1.193	50	20	ADGD	
C[C@H](C(=O)CBr)C1CC1	96378668	YXOBENYQWAVNBA-YFKPBYRVSA-N	191.068	1.997	50	20	ADGD	
C[C@H]1CC[C@@H](NC(=O)CCl)CC1	106188901	IFFSWQPYYXZPOV-ZKCHVHJHSA-N	189.686	1.920	50	20	ADGD	
C=CCCN(C)S(=O)(=O)CCl	388162294	WJFOHXGTKYBCPQ-UHFFFAOYSA-N	197.687	1.020	50	20	ADGD	
CC(C)NC(=O)NN=Cc1cc[nH]c1	745197588	TXFRHLGREDTXHM-UHFFFAOYSA-N	194.238	1.056	50	20	ADGD	
CCOC(=O)NN=C1CC[C@@H]1C1CC1	814692412	BNKLWHKUMROQRW-MRVPVSSYSA-N	196.250	1.909	50	20	ADGD	
ClC[C@H]1CO[C@@H](c2ccoc2)O1	95908488	CFINBEFKAMFHOV-JGVFFNPUSA-N	188.610	1.932	50	20	ADGD	
N#CC1=C2C=CC=CN2CCC1	238541888	JFDPINZJXIKQBG-UHFFFAOYSA-N	158.204	1.943	50	20	ADGD	
CCC(=O)NN=C1CCC[C@H]2C[C@@H]12	378673356	MIIMKRKCKGPFPN-JGVFFNPUSA-N	180.251	1.689	50	20	ADGD	
CC(C)(C)C=NNC(=O)CC1CC1	382419007	WNRDLAQMQSYRHJ-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CNC(=O)NN=CC(C)(C)CCC#N	755660924	HFTCIRFUGIZOMP-UHFFFAOYSA-N	196.254	1.231	50	20	ADGD	
C[C@H](CC1CCCC1)C(=O)NN	218079981	BZNUCQXVZCESEQ-SSDOTTSWSA-N	170.256	1.193	50	20	ADGD	
CC(C)C(=O)NN=Cc1nccs1	378792762	NZQMZSWCEZOZBU-UHFFFAOYSA-N	197.263	1.249	50	20	ADGD	
N#CC1=CCN(Cc2ccon2)CC1	779586599	ZELQBIQZXAXWLD-UHFFFAOYSA-N	189.218	1.330	50	20	ADGD	
C/C=C\C(=O)NNc1ncccc1F	804216289	QTTZLDOSZISPDF-RQOWECAXSA-N	195.197	1.240	50	20	ADGD	
C[C@@H](C(=O)NN(C)C1CC1)C1CC1	819648459	FENDFAJUFSIURF-SSDOTTSWSA-N	182.267	1.158	50	20	ADGD	
Cc1nccn1C[C@@H](CN)CCl	1898204199	PVPRBUXMVUCWBJ-MRVPVSSYSA-N	187.674	1.005	50	20	ADGD	
C[C@@H](NC(=O)NN)C1CCCCC1	52344562	LRUGFGTVQVHNGI-SSDOTTSWSA-N	185.271	1.128	50	20	ADGD	
CCO[C@@H]1CCCN(C(=O)Cl)C1	86894110	HVBMGDUIAMOOBU-SSDOTTSWSA-N	191.658	1.846	50	20	ADGD	
CC(=NNC(N)=O)c1ccsc1	252667490	KNXASDIDXWCDJR-UHFFFAOYSA-N	183.236	1.140	50	20	ADGD	
CCOCC(=O)NN=C1CCC1(C)C	789018642	ZFPWSVSILRCTHU-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CNC(=O)NN=C1C[C@H](C)CC[C@H]1C	834944274	NHGRXGBIVCLBPD-HTQZYQBOSA-N	197.282	1.728	50	20	ADGD	
C[C@@H]1CCCCC1=NNC(=O)CCO	1252567258	IYLWCYODQIMWCG-MRVPVSSYSA-N	198.266	1.051	50	20	ADGD	
CCc1onc(C)c1C(=O)Cl	98178700	JUMFSGYIYPQZIC-UHFFFAOYSA-N	173.599	1.924	50	20	ADGD	
COC[C@@]1(CCl)CCOC1	163518621	BFXNFZRWINQKFD-ZETCQYMHSA-N	164.632	1.278	50	20	ADGD	
CC(=NN(C)C(N)=O)c1ccoc1	379410291	FSINHVJQTJFKKI-UHFFFAOYSA-N	181.195	1.014	50	20	ADGD	
CC#CCCCC(=O)NN(C)C1CC1	819650076	SPCJBLGNTDNBNM-UHFFFAOYSA-N	194.278	1.305	50	20	ADGD	
CN(NC(=O)CC1(C)CC1)C1CC1	819651392	KSPBROVCVOZLBZ-UHFFFAOYSA-N	182.267	1.302	50	20	ADGD	
O=C(NN=CC1CCCC1)C(F)F	388282349	NMEDAITUVFSUBI-UHFFFAOYSA-N	190.193	1.544	50	20	ADGD	
CC(C)=CC(=O)NNc1ccccn1	777472987	RKXFTXKDSVECPA-UHFFFAOYSA-N	191.234	1.491	50	20	ADGD	
CCOC(=O)NN=C(CC)COC	308398905	GDWHLERCXDSRBG-UHFFFAOYSA-N	188.227	1.145	50	20	ADGD	
CC(C)C(=O)NN=C1CCC(O)CC1	761764952	AQUNUFFIOKYQKR-UHFFFAOYSA-N	198.266	1.050	50	20	ADGD	
CCCNC(=O)NN=C1CCC1(C)C	789000823	QJJBKSLEAGBGEZ-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CN(NC(=O)CC(C)(C)C)C1CC1	819643601	GLEKDDIFWIBBSL-UHFFFAOYSA-N	184.283	1.548	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C[C@@H]1CCOC1	915977135	OLVSEHCERRSSOZ-BDAKNGLRSA-N	198.266	1.171	50	20	ADGD	
CCC[C@H](C)NS(=O)(=O)CCl	82512005	UTEKXEOSAXTZKM-LURJTMIESA-N	199.703	1.291	50	20	ADGD	
CCC(=O)N1CC=C(C#N)CC1	306551049	WAZVHVLWQBTGSK-UHFFFAOYSA-N	164.208	1.079	50	20	ADGD	
C[C@@H]1CSC[C@H]1NC=C(C#N)C#N	306554246	KDUBPOYVEFJMBY-VXNVDRBHSA-N	193.275	1.259	50	20	ADGD	
CN(N)C(=O)C1C(C)(C)C1(C)C	606250787	CGKJLJFBCRNFOF-UHFFFAOYSA-N	170.256	1.001	50	20	ADGD	
CCC[C@H](CC(C)C)C(=O)NNC	704682276	WAPUEKLSYMEOCO-SECBINFHSA-N	186.299	1.699	50	20	ADGD	
CCc1sc(C(=O)N(C)N)cc1C	707588491	FAQCHZRZTCCQJY-UHFFFAOYSA-N	198.291	1.565	50	20	ADGD	
COCC(=O)NN=C1CC2(CCC2)C1	772842952	FQNMFNHGGLIMPG-UHFFFAOYSA-N	196.250	1.069	50	20	ADGD	
OCCS[C@@H](Cl)C(F)(F)F	4204946	GGHOLTWQSNDMNG-GSVOUGTGSA-N	194.605	1.839	50	20	ADGD	
CC(CC1CC1)=NNC(=O)C(C)C	308153414	PSDYTBURXKSGFL-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CCC(=O)NN=C(CC)[C@@H]1C[C@@H]1C	841604738	UMPVRZAAMSEOKF-JGVFFNPUSA-N	182.267	1.935	50	20	ADGD	
CC(C)(C)C(=O)NN=C[C@H]1CCOC1	915969445	JZRLNRCWFZMIRR-MRVPVSSYSA-N	198.266	1.171	50	20	ADGD	
CNC(=O)NN=C[C@@H]1CC[C@H](C)C1	379383219	KHZMAJRWNNFEJC-JGVFFNPUSA-N	183.255	1.337	50	20	ADGD	
CC(=O)NN=Cc1cc(C)ccc1O	383817670	DEOGFUDGDRCELI-UHFFFAOYSA-N	192.218	1.171	50	20	ADGD	
COCC(=O)NN=C1CCCCCC1	20828645	OBCYTHTVSVPFRI-UHFFFAOYSA-N	198.266	1.459	50	20	ADGD	
CC(=O)NN=Cc1ccc(C)cc1C	916267522	SQRRXFZBSWZWNV-UHFFFAOYSA-N	190.246	1.773	50	20	ADGD	
N#CCCCCNC(=O)CCl	70665867	ZZLJGFMMZIPIAF-UHFFFAOYSA-N	174.631	1.035	50	20	ADGD	
CC(C)(C=O)CBr	75546521	GVWHYUOSZCHDOR-UHFFFAOYSA-N	165.030	1.606	50	20	ADGD	
Cn1cccc1/C=C(/C#N)C(=O)O	200967811	CUVNHAUJSCDJHO-ALCCZGGFSA-N	176.175	1.017	50	20	ADGD	
C[C@H]1CCCC[C@@H]1C=NNC(N)=O	308011902	KSELZLBOWUSOHV-JGVFFNPUSA-N	183.255	1.467	50	20	ADGD	
CCCNC(=O)NN=C(C)CC	379326248	HANRKIJEGYGVAB-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CN(NC(=O)C1=CCCCC1)C1CC1	819651236	GLHDEKCFFWZVJE-UHFFFAOYSA-N	194.278	1.612	50	20	ADGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NN)c1	876788960	ONIKEADXPHGKOX-VHSXEESVSA-N	190.246	1.088	50	20	ADGD	
COC(=O)NN=Cc1ccc(C)s1	254903812	LDOPXAOKVYQTFL-UHFFFAOYSA-N	198.247	1.746	50	20	ADGD	
CC(C)(Cc1ccccc1)C(=O)NN	306309080	SEXBTXGMAWWPCW-UHFFFAOYSA-N	192.262	1.245	50	20	ADGD	
CC(=O)NN=C1CCC[C@H]2C[C@@H]12	382155253	QZPWOKKIYBZSLG-JGVFFNPUSA-N	166.224	1.299	50	20	ADGD	
CNNC(=O)[C@@]1(C)CCC(C)=C(C)C1	1578741322	JGDDFTKPVDWQAR-NSHDSACASA-N	196.294	1.764	50	20	ADGD	
CCCOC(=S)Cl	34566670	KIZSKBJFSGBVQC-UHFFFAOYSA-N	138.619	1.937	50	20	ADGD	
C[C@H](CCl)Cc1cnsn1	306805504	ALOQTGBBROCVGQ-YFKPBYRVSA-N	176.672	1.956	50	20	ADGD	
COCCC(C)=NNC(=O)C(C)C	378849680	DBYZKHNTBPRJQL-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
COc1ncc(CCl)cc1F	95761916	VHCZTGVWZQSFMS-UHFFFAOYSA-N	175.590	1.968	50	20	ADGD	
Cc1n[nH]c(C)c1CBr	104465543	FTVLXMFRHBUPLY-UHFFFAOYSA-N	189.056	1.921	50	20	ADGD	
CC(C)CN1C[C@H](CCl)OC1=O	306267671	IXBURHCJBXFWLB-ZETCQYMHSA-N	191.658	1.702	50	20	ADGD	
C[C@H]1CCCC(=NN(C)C(N)=O)C1	308295867	JWOZVKYSQQGEHV-ZETCQYMHSA-N	183.255	1.563	50	20	ADGD	
CC(C)CC(=O)NN=CC1(C)CC1	379414829	OVUGKMFREZHEJZ-UHFFFAOYSA-N	182.267	1.935	50	20	ADGD	
CNC(=O)NN=C(C)CC1CCC1	379419848	ZCZUIPBJDKWSJO-UHFFFAOYSA-N	183.255	1.482	50	20	ADGD	
CN(N=Cc1cccc(F)c1)C(N)=O	383471446	CZIPJCKQBYTNSV-UHFFFAOYSA-N	195.197	1.170	50	20	ADGD	
O=C(CCl)c1cnn(CC2CC2)c1	585143006	NEPLDOPJEBXOAZ-UHFFFAOYSA-N	198.653	1.715	50	20	ADGD	
CC(C)NC(=O)NN=CCCC1CC1	807965782	JXVMUGREDOTQCY-UHFFFAOYSA-N	197.282	1.870	50	20	ADGD	
CCNC(=O)NN=CC[C@H](C)CC	834945577	SBORMFGQVQYGKQ-MRVPVSSYSA-N	185.271	1.728	50	20	ADGD	
Cc1cccc(NC(=O)CCl)c1O	83343292	YCKLELQNRUPHTA-UHFFFAOYSA-N	199.637	1.878	50	20	ADGD	
O=C(Cl)COC(=O)c1ccccc1	136289885	HZGAJRVMHROSBR-UHFFFAOYSA-N	198.605	1.609	50	20	ADGD	in-vitro
COC(=O)N(C)N=C[C@@H]1C[C@@H]1C	379338580	LCZLEVPZWPLPLG-BQBZGAKWSA-N	170.212	1.326	50	20	ADGD	
O=C(NN=Cc1ccccc1)C(F)F	782236103	RKJSCIRBHAYZMA-UHFFFAOYSA-N	198.172	1.402	50	20	ADGD	
CC(C)[C@H](C)C(=O)NN(C)C1CC1	819648135	XNQPWZVENKAKFO-QMMMGPOBSA-N	184.283	1.404	50	20	ADGD	
CC[C@](C)(C#N)NC(=O)CCl	218153487	LAQNNADDNIIZMJ-SSDOTTSWSA-N	174.631	1.034	50	20	ADGD	
C[C@@H]1C(=NNC(N)=O)CCC[C@H]1C	252474150	ZIRMCSGQIXSNSV-RQJHMYQMSA-N	183.255	1.467	50	20	ADGD	
COC(=O)NN=C1CC(C)C1	307075040	NMTKTQMYMWLILP-UHFFFAOYSA-N	156.185	1.128	50	20	ADGD	
CCCC1(CNC(=O)NN)CCC1	392178339	WXXABFJXDPQMFM-UHFFFAOYSA-N	185.271	1.130	50	20	ADGD	
COCCC(C)(C)NC=C(C#N)C#N	751926153	VUZSJNSAIGEUBS-UHFFFAOYSA-N	193.250	1.322	50	20	ADGD	
C[C@H]1C[C@H](CC(=O)NN)CC(C)(C)C1	825645040	NRRLDDCHZDCATB-DTWKUNHWSA-N	198.310	1.829	50	20	ADGD	
CN(C)C(=O)NN=C1CCC[C@H]1F	872346445	BJAGTYWHQDSPFP-ZCFIWIBFSA-N	187.218	1.136	50	20	ADGD	
CC(C)(C)C(=O)NN=C[C@@H]1CCOC1	915969448	JZRLNRCWFZMIRR-QMMMGPOBSA-N	198.266	1.171	50	20	ADGD	
C[C@@H]1CCCN(C(=O)CCl)CC1	82489764	YPGODUOEYFYWLO-MRVPVSSYSA-N	189.686	1.874	50	20	ADGD	
ClCCCO[C@@H]1CCCOC1	163345911	DKPSYJQCQWYXSR-MRVPVSSYSA-N	178.659	1.811	50	20	ADGD	
CCO[C@@H]1C[C@@H]1Br	196687105	ZWWCCVSLTYAXLH-CRCLSJGQSA-N	165.030	1.559	50	20	ADGD	
OB(O)c1sccc1C1CCCC1	198019292	VSFXABNQFNHBIT-UHFFFAOYSA-N	196.080	1.086	50	20	ADGD	
CC(=NNC(=O)NC(C)C)C(C)C	308149421	NKUCYVRKIHNMBB-UHFFFAOYSA-N	185.271	1.726	50	20	ADGD	
CC(C)C[C@@H](C)C=NNC(N)=O	379312786	BSCQSWODGYXRHS-SSDOTTSWSA-N	171.244	1.323	50	20	ADGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(N)=O	389070256	BYBJOIRZCMPQBG-HTQZYQBOSA-N	197.282	1.857	50	20	ADGD	
CCc1ccc(NC(=O)NNC)cc1	857764187	KVXFYOZTRROOQD-UHFFFAOYSA-N	193.250	1.505	50	20	ADGD	
C/C(C#N)=C/CSCCC(=O)O	1588543830	TVYHZTOWEOPWCE-UQCOIBPSSA-N	185.248	1.664	50	20	ADGD	
O=C[C@]1(CCCl)CCOC1	307029921	DCUATVFWSUAUQW-ZETCQYMHSA-N	162.616	1.221	50	20	ADGD	
COC(=O)NN=CCC(C)C	307928184	SWEQRSKGXKUCHG-UHFFFAOYSA-N	158.201	1.374	50	20	ADGD	
CCOC(=O)NN=CCCC1CC1	388724621	TVTWQYVRCLYWOM-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
COC(=O)NN=C[C@@H]1CC[C@@H](C)C1	388759771	DMQLURAZYZZUMT-HTQZYQBOSA-N	184.239	1.764	50	20	ADGD	
CCOC(=O)NN=Cc1ccoc1C	841606074	XPYVQKKASQJPIK-UHFFFAOYSA-N	196.206	1.668	50	20	ADGD	
C#CC1CCC(=NN(C)C(N)=O)CC1	853326480	BGSDLQISFZFWBG-UHFFFAOYSA-N	193.250	1.176	50	20	ADGD	
Cc1coc(C(=O)NN(C)C2CC2)c1	880347220	WFDRLNZZMDGQES-UHFFFAOYSA-N	194.234	1.327	50	20	ADGD	
Cn1ncnc1CC1(CCl)CC1	85043368	ABQVOIPNLYZCGJ-UHFFFAOYSA-N	185.658	1.377	50	20	ADGD	
CCC(C=NNC(N)=O)(CC)CC	378869960	LFYXCTKDMXJGDV-UHFFFAOYSA-N	185.271	1.857	50	20	ADGD	
CCC(=O)NN=C1CCO[C@H](CC)C1	756821611	XDMJARNEXQQWSO-SECBINFHSA-N	198.266	1.458	50	20	ADGD	
CCCC(=O)NNc1cccc(C)n1	862525767	VLPGXBSHMKTJMR-UHFFFAOYSA-N	193.250	1.633	50	20	ADGD	
CC(C)CC(=O)NN=C1COC[C@H]1C	884396553	GTFPLZBOITVDDR-MRVPVSSYSA-N	198.266	1.171	50	20	ADGD	
CC(=O)NN=C1CC[C@H](C)C1	378870301	MAIYDJWYROYKMI-LURJTMIESA-N	154.213	1.299	50	20	ADGD	
CC1=CC(=NNC(=O)C2CCC2)CC1	731933303	HLFHPUGPWRHUKT-UHFFFAOYSA-N	192.262	1.999	50	20	ADGD	
BrCc1nncs1	2548450	DYCSKWURIRXPSD-UHFFFAOYSA-N	179.042	1.433	50	20	ADGD	
CCC(=O)NN=C1CC2(CCC2)C1	306242176	SPHIUFWEEQZQLA-UHFFFAOYSA-N	180.251	1.833	50	20	ADGD	
CC(CCCCC#N)=NNC(N)=O	307988474	LYHCKIZPTWWYGJ-UHFFFAOYSA-N	182.227	1.115	50	20	ADGD	
CCNC(=O)N(C)N=CC1(C)CC1	308399361	GICSSBKZAGDHRN-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
CCO[C@H]1CCCC1=NNC(=O)CC	766427372	AJJJNXSMMOPVJT-VIFPVBQESA-N	198.266	1.458	50	20	ADGD	
Cc1occc1C=NNC(=O)C1CC1	841605782	UYAOERYTRAEKCX-UHFFFAOYSA-N	192.218	1.448	50	20	ADGD	
N#CC(C#N)=CNC1CC2(CCC2)C1	844267973	MOANRKMOGNJXIT-UHFFFAOYSA-N	187.246	1.840	50	20	ADGD	
CN1CC[C@@H](CN(C)C(=O)Cl)C1	86894334	UMZPQCBWLBBLHE-SSDOTTSWSA-N	190.674	1.229	50	20	ADGD	
C[C@H]1CCC(=NN(C)C(N)=O)[C@@H](C)C1	783861979	APUASPXLJVKMRQ-YUMQZZPRSA-N	197.282	1.809	50	20	ADGD	
Cn1cc(CC2(CCl)CC2)cn1	85043326	WPBKKVFLNFDYFM-UHFFFAOYSA-N	184.670	1.982	50	20	ADGD	
COC(=O)NN=Cc1csc(C)n1	379378379	AEPREZJCOWTBOX-UHFFFAOYSA-N	199.235	1.141	50	20	ADGD	
O=C(NN=CC1CC1)NC1CCCC1	755673443	MUTRECPIQXEETP-UHFFFAOYSA-N	195.266	1.624	50	20	ADGD	
CCC(=NNC(=O)NC)[C@H]1C[C@@H]1C	841620575	JAEGOWRMXFPDFD-BQBZGAKWSA-N	183.255	1.337	50	20	ADGD	
CCOC(=O)C1(C(=O)Cl)CCC1	138599916	NAERMZUIUQCKNK-UHFFFAOYSA-N	190.626	1.485	50	20	ADGD	
O=C(CCl)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	300358266	DVSILXRGHUWKAP-HMJBSVBGSA-N	199.681	1.386	50	20	ADGD	
CC1(CCNC=C(C#N)C#N)CC1	306316333	RBRDWCCIJPNASY-UHFFFAOYSA-N	175.235	1.697	50	20	ADGD	
CSCCCNC=C(C#N)C#N	379327047	JMOHINCFZNYKSH-UHFFFAOYSA-N	181.264	1.260	50	20	ADGD	
CNC(=O)NN=C1CC[C@@H](C)[C@@H](C)C1	767371470	ZLWIYKGRSPNVRE-SFYZADRCSA-N	197.282	1.728	50	20	ADGD	
CC[C@H](CN1CC=C(C#N)CC1)OC	842153097	KDVQJJWUMXIZLA-LLVKDONJSA-N	194.278	1.567	50	20	ADGD	
CC(=O)NNC(=O)CC1CCCCC1	913173205	FBAIPQKAQYVJRD-UHFFFAOYSA-N	198.266	1.124	50	20	ADGD	
CCCN(C(=O)CCl)C(C)C	37095962	SRHYDUNVRVIIKM-UHFFFAOYSA-N	177.675	1.872	50	20	ADGD	
CC[C@@H](C)C(=O)NN=C(C)C	306275703	RASPFFSUJXVTAL-SSDOTTSWSA-N	156.229	1.545	50	20	ADGD	
C[C@@H](CCl)Cc1cnsn1	306805503	ALOQTGBBROCVGQ-RXMQYKEDSA-N	176.672	1.956	50	20	ADGD	
CC[C@@H](C#N)[S@](=O)Cl	307081124	SPBNMIIXIXRPSH-NVNXEXLPSA-N	151.618	1.191	50	20	ADGD	
CC(=O)NN=C(C)[C@]1(C)CCCO1	379411035	HICOQHQFCPHJPB-VIFPVBQESA-N	184.239	1.068	50	20	ADGD	
CCCNC(=O)NN=C(C)C1CCC1	747629506	AXFUUJJQYTYVFM-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
O=C(NNc1cccc(F)c1)C1CC1	748089029	XXCSULRGUQDXNY-UHFFFAOYSA-N	194.209	1.679	50	20	ADGD	
NNC(=O)/C=C\c1ccc(Cl)cc1	32061908	DOEGIQCUZASDTB-UTCJRWHESA-N	196.637	1.343	50	20	ADGD	
N#C/C=C/C1CC1	51690995	AHJKTMQDOYBLSR-OWOJBTEDSA-N	93.129	1.476	50	20	ADGD	
C/C=C(\C)C(=O)NNC(=O)C(C)(C)C	751352222	PGFBLWIGETXXSC-VOTSOKGWSA-N	198.266	1.146	50	20	ADGD	
CC(C)(F)C(=O)N1CC=C(C#N)CC1	780685060	KWVJYGRJSRIFLO-UHFFFAOYSA-N	196.225	1.417	50	20	ADGD	
CN(NC(=O)C1(C)CCC1)C1CC1	819648501	GJRKLPOSKXIDMI-UHFFFAOYSA-N	182.267	1.302	50	20	ADGD	
CC(=O)NN=C(C)c1csc(C)c1	834918661	BWOKJZMNVSYKCD-UHFFFAOYSA-N	196.275	1.917	50	20	ADGD	
C[C@H]1CC[C@@H](C)C(=NN(C)C(N)=O)C1	834967426	DJIGPBXPCAEWLS-JGVFFNPUSA-N	197.282	1.809	50	20	ADGD	
Cc1nc(Cl)n(C/C=C/C#N)n1	919741280	WWDKRSUEYBACSU-NSCUHMNNSA-N	182.614	1.320	50	20	ADGD	
CC[C@H]1CCCN(C(=O)CCl)C1	36169331	UKHFEFUXJSDBMJ-QMMMGPOBSA-N	189.686	1.874	50	20	ADGD	
C=C(CBr)[C@H](O)C(C)C	38973897	HDPWJPWKTKFFMJ-SSDOTTSWSA-N	193.084	1.954	50	20	ADGD	
CC[C@@H]1CN(C(=O)Cl)CCO1	86889801	BYRFQWOFJQRAOO-ZCFIWIBFSA-N	177.631	1.456	50	20	ADGD	
COCCn1cnc(CCl)c1	234768482	LMTCNCPISISULN-UHFFFAOYSA-N	174.631	1.268	50	20	ADGD	
C[C@@H](C=NNC(N)=O)c1ccccc1	254896823	KCESSWUPNSNONB-QMMMGPOBSA-N	191.234	1.444	50	20	ADGD	
COc1ncncc1CCl	261507077	FBJVLHJRJIQMEK-UHFFFAOYSA-N	158.588	1.224	50	20	ADGD	
CCc1csc(/C(C#N)=C(/C)N)n1	306149280	BVDWHARLWASKIL-VURMDHGXSA-N	193.275	1.919	50	20	ADGD	
CN(N=C1CCCC1(C)C)C(N)=O	308476526	MCIXNIASLXFEBR-UHFFFAOYSA-N	183.255	1.563	50	20	ADGD	
CC[C@@H](C)C=NNC(=O)C(C)C	388403472	QAGZRGKKMQYCQY-MRVPVSSYSA-N	170.256	1.791	50	20	ADGD	
C[C@@H](Cl)C(=O)N1CCC[C@H](F)C1	409422780	IPLBLOOUPJSYRR-RQJHMYQMSA-N	193.649	1.574	50	20	ADGD	
O=C(CC1CC1)NNc1ccccc1	732265534	MDPGVDKAZACSHP-UHFFFAOYSA-N	190.246	1.930	50	20	ADGD	
CCC(=O)NN=C1CCCC[C@H]1OC	915936730	CDGRIQDKNIDKGX-SECBINFHSA-N	198.266	1.458	50	20	ADGD	
Cc1nn2ccn(C)c2c1CCl	238539594	LOZNRLOMIMPLCM-UHFFFAOYSA-N	183.642	1.720	50	20	ADGD	
CC(=O)NN=Cc1ccc(C)s1	307930982	CAYSOGDLHQKIAJ-UHFFFAOYSA-N	182.248	1.527	50	20	ADGD	
CCC(C=NNC(=O)COC)CC	308375046	RSNOEAYCPTZFQM-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
O=C(NNc1cccc(F)n1)C1CC1	804770833	UWBFWNFDTUZYGG-UHFFFAOYSA-N	195.197	1.074	50	20	ADGD	
CC1CCC(=NNC(=O)CCO)CC1	1116205659	UBSGULKTZXABGR-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
CC[C@H]1CN(C(=O)Cl)CCO1	86889804	BYRFQWOFJQRAOO-LURJTMIESA-N	177.631	1.456	50	20	ADGD	
COC(=O)N(N)Cc1ccccc1	138273806	WERBYHRMJIMMLQ-UHFFFAOYSA-N	180.207	1.129	50	20	ADGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)CC	730941489	NJSJRTIFUGBVOH-INTFFVIUSA-N	196.250	1.345	50	20	ADGD	
NNC(=O)NCC1CCCCCCC1	841721009	BPOKOZCYJDKZLG-UHFFFAOYSA-N	199.298	1.520	50	20	ADGD	
CCc1ccc(C=NNC(C)=O)s1	308474616	LMSDLVCYKUNXSD-UHFFFAOYSA-N	196.275	1.781	50	20	ADGD	
CO[C@@H](C)C(C)=NNC(=O)C(C)C	379367925	WGXNZOKPQQUJED-QMMMGPOBSA-N	186.255	1.169	50	20	ADGD	
CCOC(=O)NN=CC(C)(C)C	379328637	QMXLNZYGDVKFPX-UHFFFAOYSA-N	172.228	1.764	50	20	ADGD	
CCSCCC=NNC(=O)NC	379338943	SPVDMNHZDLWJQR-UHFFFAOYSA-N	189.284	1.044	50	20	ADGD	
CCC(=O)NNc1c(C)cccc1F	771707357	OXWWXZAWLMHQEE-UHFFFAOYSA-N	196.225	1.987	50	20	ADGD	
CCC(=NNC(C)=O)[C@@H]1CC1(C)C	841604912	UZKRDMWKTNNLNE-QMMMGPOBSA-N	182.267	1.935	50	20	ADGD	
Cc1cccc(/C=C(\C#N)C(=O)O)c1	19261013	OKXSDRXATUYNHB-UXBLZVDNSA-N	187.198	1.987	50	20	ADGD	
Cl[C@H]1CCCCO1	32162239	QRECIVPUECYDDM-RXMQYKEDSA-N	120.579	1.752	50	20	ADGD	
CC[C@@H](CCl)Cc1ncnn1C	85045438	AXKOHSZCFZIQMY-SSDOTTSWSA-N	187.674	1.623	50	20	ADGD	
CC1(C)CC(=NNC(=O)C2CC2)C1	307462676	DXOQMZGCKVHVPR-UHFFFAOYSA-N	180.251	1.689	50	20	ADGD	
CC(=NNC(=O)O)c1cncc(F)c1	736124424	CEYUMIFBVJWDJW-UHFFFAOYSA-N	197.169	1.212	50	20	ADGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)CC	746507779	YBWMDAHSROFKKZ-INTFFVIUSA-N	196.250	1.345	50	20	ADGD	
C/C=C(/CC)C(=O)NNC(=O)C(C)C	788699801	CNZLVZWUXRTMIA-YVMONPNESA-N	198.266	1.146	50	20	ADGD	
C[C@@H](N)[C@@H](C)Br	83592673	INJIQMGWSVPZFJ-QWWZWVQMSA-N	152.035	1.117	50	20	ADGD	
CCC1(C)CN(C(=O)CCl)C1	306834685	RSZGMIRKSSOFKY-UHFFFAOYSA-N	175.659	1.484	50	20	ADGD	
CCOC(=O)NN=C1CC(C)(C)C1	307320915	POVOPBDWKHRDQL-UHFFFAOYSA-N	184.239	1.909	50	20	ADGD	
CC(C)[C@@H]1[C@@H](Cl)[C@H]1C=O	536956418	WYSABFBUCNPOJB-ACZMJKKPSA-N	146.617	1.695	50	20	ADGD	
CC[C@H](CC(=O)NN)c1ccccc1	825644842	IATBSKDFMIEBSQ-SECBINFHSA-N	192.262	1.560	50	20	ADGD	
CCC[C@H](NC(=O)NN)C(C)(C)C	841908864	VWVHCBRBSJHYID-ZETCQYMHSA-N	187.287	1.374	50	20	ADGD	
NC(=O)NN=C1CCc2ccccc21	252448168	SRQKUXBHHIMHRI-UHFFFAOYSA-N	189.218	1.005	50	20	ADGD	
C[C@H](CCl)Cc1nncn1C	307217439	CDXHVUOIAZKRIT-LURJTMIESA-N	173.647	1.233	50	20	ADGD	
CNC(=O)NN=CCCCSC	378850766	FEHGZTDUEBUSFJ-UHFFFAOYSA-N	189.284	1.044	50	20	ADGD	
CC(Cc1cccs1)=NNC(=O)O	736629071	IHCSSIRMFKKIKH-UHFFFAOYSA-N	198.247	1.934	50	20	ADGD	
CS(=O)(=O)CCC1(CCl)CC1	85043271	JKDYWMBGBOITCN-UHFFFAOYSA-N	196.699	1.440	50	20	ADGD	
COC(=O)NN=C(C)c1cscn1	388829657	VXMMRHGAWAOOOP-UHFFFAOYSA-N	199.235	1.223	50	20	ADGD	
CC(=O)NNC(=O)CC1=CCCCC1	730273115	WLSUFANDLOYPQV-UHFFFAOYSA-N	196.250	1.044	50	20	ADGD	
C[C@H]1CC[C@H](C(=O)NN(C)C2CC2)C1	819650209	HDMLNNTYOFSHRV-IUCAKERBSA-N	196.294	1.548	50	20	ADGD	
CC1(C)CCN(C(=O)CCl)CC1	39055047	XHFNMXJATVYJQD-UHFFFAOYSA-N	189.686	1.874	50	20	ADGD	
CC1(C)CCCC[C@H]1NC(=O)NN	86879051	AIMAMRASYZRZIQ-SSDOTTSWSA-N	185.271	1.128	50	20	ADGD	
CC[C@H](C)C=NN(C)C(=O)OC	307951309	OHOXOOATRKINKO-ZETCQYMHSA-N	172.228	1.717	50	20	ADGD	
CC(=NNC(=O)O)c1cncs1	736125841	LRBPYFDAEOZJJJ-UHFFFAOYSA-N	185.208	1.135	50	20	ADGD	
C[C@@H]1C[C@@H]1C(=O)N1CC=C(C#N)CC1	767159448	DAUJBNOXCVHZHS-SCZZXKLOSA-N	190.246	1.325	50	20	ADGD	
CCC(=O)NN=Cc1conc1CC	814708760	ROMYGBQLOOQQAM-UHFFFAOYSA-N	195.222	1.097	50	20	ADGD	
CN(NC(=O)C(C)(C)C1CC1)C1CC1	819652521	TUHGGTBZRMWDMP-UHFFFAOYSA-N	196.294	1.548	50	20	ADGD	
CC1(C)C[C@H](Br)CO1	167832212	WPUVLTGFJSBYIO-YFKPBYRVSA-N	179.057	1.949	50	20	ADGD	
CCC1(CNC=C(C#N)C#N)CC1	306989080	RPSBLQDJAMUDQR-UHFFFAOYSA-N	175.235	1.697	50	20	ADGD	
CNC(=O)NN=CC1CCCC1	307973140	IOHQOFMLVTVKBA-UHFFFAOYSA-N	169.228	1.091	50	20	ADGD	
CCCC(C)=NNC(=O)C(F)F	307982440	PNLVFZLHNXBYCH-UHFFFAOYSA-N	178.182	1.544	50	20	ADGD	
C[C@H]1CCCC(=NNC(=O)N(C)C)C1	745604970	INCRGLMVFCHSFV-QMMMGPOBSA-N	197.282	1.824	50	20	ADGD	
CCC(=O)NN=Cc1ccc(C)nc1	764895029	GWSYSUPBSRVWPU-UHFFFAOYSA-N	191.234	1.250	50	20	ADGD	
CNC(=O)NN=C(C)CC(C)(C)C	834944527	RXGQINYROAOFET-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
ClCCCc1ncno1	40863661	QLSOMCDAPVQZJE-UHFFFAOYSA-N	146.577	1.241	50	20	ADGD	in-vitro
C[C@@H]1CCCC(=NNC(N)=O)C1	252447933	QNMXLUDDFKFNMU-ZCFIWIBFSA-N	169.228	1.221	50	20	ADGD	
CC(C)CCNC=C(C#N)C#N	306286101	KEYKMKZAVQJUSV-UHFFFAOYSA-N	163.224	1.553	50	20	ADGD	
CC[C@@H]1CCC1=NNC(=O)C(C)C	388598203	PIULCFANILWNJY-MRVPVSSYSA-N	182.267	1.935	50	20	ADGD	
CCCC(C)=NNC(=O)c1ccc[nH]1	725854952	QGKVYYMVXGRLKU-UHFFFAOYSA-N	193.250	1.921	50	20	ADGD	
N#CC(C#N)=CNCC1=CCCC1	853000214	GUHLGTGHLNAQMK-UHFFFAOYSA-N	173.219	1.617	50	20	ADGD	
C#CCCCC(=O)NN=C[C@@H]1C[C@H]1C	901323929	BCLZJUYTIBPUSH-ZJUUUORDSA-N	192.262	1.548	50	20	ADGD	
CCCN1C[C@H](CCl)OC1=O	70587775	MJCSJPVJMYLHFN-LURJTMIESA-N	177.631	1.456	50	20	ADGD	
C[C@@H]1C[C@@H]1C=NNC(=O)c1ccc[nH]1	758374370	RXMYXEHUUZTJOG-HTQZYQBOSA-N	191.234	1.386	50	20	ADGD	
CC(C)C(=O)NN=C1COC(C)(C)C1	841609139	RXSPLHJEAJUGBC-UHFFFAOYSA-N	198.266	1.314	50	20	ADGD	
ClCc1cnn2c1CCC2	95762328	BUQXPEJKZWZRMN-UHFFFAOYSA-N	156.616	1.568	50	20	ADGD	
CCC(CO)(CCl)CCl	100552587	BIFYPMIIDSCISR-UHFFFAOYSA-N	171.067	1.853	50	20	ADGD	in-vitro
CNC(=O)NN=C1CC[C@@H]1C1CC1	382317458	RYMKSBPJQNWKKL-SSDOTTSWSA-N	181.239	1.091	50	20	ADGD	
CCCn1cc(C(=O)CCl)cn1	585142995	UAGYEGWGXWOFSK-UHFFFAOYSA-N	186.642	1.715	50	20	ADGD	
COC(=O)NN=C(C)c1coc(C)n1	788938979	HDTZKYXEOFOWHF-UHFFFAOYSA-N	197.194	1.063	50	20	ADGD	
CC(C)C(=O)NN=CCC(F)(F)F	817324229	WHBNZTIDELQXBO-UHFFFAOYSA-N	196.172	1.697	50	20	ADGD	
C/C=C\C(=O)NNc1ccc(F)cc1	912710016	CSBBZKITXBIGGF-IHWYPQMZSA-N	194.209	1.845	50	20	ADGD	
C=CCCC(C)=NNC(=O)C(F)F	379405423	UAAXHKOPUZNUJB-UHFFFAOYSA-N	190.193	1.710	50	20	ADGD	
CN(C)C(=O)NN=C1CCC[C@H]2C[C@@H]12	800811412	UIPLFSYGEBZEGS-JGVFFNPUSA-N	195.266	1.434	50	20	ADGD	
CNC(=O)NN=C1CCCCCC1	306499036	HKZAUBCFQAOOJX-UHFFFAOYSA-N	183.255	1.626	50	20	ADGD	
CC(=NN(C)C(N)=O)C1CCCC1	379418852	WWKXBLXFVREVGI-UHFFFAOYSA-N	183.255	1.563	50	20	ADGD	
CCCCC(=O)NNc1cccnn1	736702004	QTBPDBSRIWQBOQ-UHFFFAOYSA-N	194.238	1.110	50	20	ADGD	
CC(C)C[C@H](N)CCl	118104570	PKIJBUKDVVNEIB-LURJTMIESA-N	135.638	1.599	50	20	ADGD	
CC1(C)C[C@@H]1CNC(=O)CCl	218352532	YZNHYHNLQXGNLZ-ZCFIWIBFSA-N	175.659	1.388	50	20	ADGD	
CC[C@H]1C[C@H](C)CN1C(=O)CCl	306292120	USVKHCSLAZFJFG-YUMQZZPRSA-N	189.686	1.872	50	20	ADGD	
COC(=O)NN=C1CCC[C@H]2C[C@@H]12	378682828	YHCPQSFPWIAHEC-NKWVEPMBSA-N	182.223	1.518	50	20	ADGD	
C1NC[C@@H]2CSSC[C@H]12	409442950	DPGCPTMLJXKRCH-OLQVQODUSA-N	161.295	1.217	50	20	ADGD	
CCOCCC=NNC(=O)CC1CC1	814988696	SCKJYPRYPHTHPS-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CC(C)N(CCC#N)C(=O)CCl	36134177	USLOIOSAKKKGGU-UHFFFAOYSA-N	188.658	1.376	50	20	ADGD	
Cl[C@@H]1CCCC12OCCO2	98179341	FXZZSBYEVGFUBC-ZCFIWIBFSA-N	162.616	1.521	50	20	ADGD	
CCO[C@H]1C[C@H]1Br	196687145	ZWWCCVSLTYAXLH-UHNVWZDZSA-N	165.030	1.559	50	20	ADGD	
C[C@@H](CCl)Cc1cn(C)nn1	235087452	GZCDHXQQIUISQL-ZCFIWIBFSA-N	173.647	1.233	50	20	ADGD	
CC(=O)NN=Cc1ccc(C#N)cc1	254341248	JVBMUWGOAYNEFE-UHFFFAOYSA-N	187.202	1.028	50	20	ADGD	
O=C/C(=C/O)c1cccc(O)c1	307433188	ZRETWWDRJUWTBT-YVMONPNESA-N	164.160	1.490	50	20	ADGD	
CCNC(=O)NN=C(C)CC	307903829	PUQKVOSXDJMGBF-UHFFFAOYSA-N	157.217	1.091	50	20	ADGD	
CN(NC(=O)C1(C)CCCC1)C1CC1	819646677	CBXGXLAQVQXQQG-UHFFFAOYSA-N	196.294	1.692	50	20	ADGD	
CNC(=O)NN=C1CC2(CCCC2)C1	901173858	XXUSOLIRULEMKH-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
CC1(C)CCC(=NNC(=O)CCO)C1	1320884852	BXPCDUVUUKCRPE-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
O=[S@@](Cl)C(F)F	219417764	KXTLHJHZGXFCMO-ZCFIWIBFSA-N	134.534	1.112	50	20	ADGD	
CN(N=C/C=C\c1ccco1)C(N)=O	767905113	VMFNDOSFQQZJIA-FRIFJPNMSA-N	193.206	1.289	50	20	ADGD	
CCC(=O)NN=Cc1[nH]c(C)cc1C	760224891	QBXUGEIOOIAGII-UHFFFAOYSA-N	193.250	1.492	50	20	ADGD	
CCCSS(=O)(=O)CCC	22048402	OUIASSQOLAEHIR-UHFFFAOYSA-N	182.310	1.869	50	20	ADGD	
CC1CCC(B(O)O)CC1	203516396	XNNLCHRAQNSTAX-UHFFFAOYSA-N	142.007	1.040	50	20	ADGD	
CN(C)C(=O)NN=C1CC2(CC2)C1	306788962	SMFDDEZXTMCPFP-UHFFFAOYSA-N	181.239	1.188	50	20	ADGD	
CCCCC=NNC(=O)NC(C)C	388731030	VJBMQDKNDPVAPJ-UHFFFAOYSA-N	185.271	1.870	50	20	ADGD	
CC[C@@H](C)CC=NNC(=O)C(F)F	834974171	UUKRYOCSDWJTIL-ZCFIWIBFSA-N	192.209	1.790	50	20	ADGD	
CCc1nnc(SC/C=C\C#N)o1	882328916	RMNQMVISSOXKEB-ARJAWSKDSA-N	195.247	1.804	50	20	ADGD	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)N	1573636262	NLDALJJYRXDLIO-FNCVBFRFSA-N	182.267	1.001	50	20	ADGD	
CC(C)C[C@@H](N)CCl	118104567	PKIJBUKDVVNEIB-ZCFIWIBFSA-N	135.638	1.599	50	20	ADGD	
N#CC(C#N)=CNc1ccccc1O	232683527	NRNPVGYDWPZMFL-UHFFFAOYSA-N	185.186	1.735	50	20	ADGD	
CON(C(=O)CCl)C1CCCC1	307977134	MDNIRICGKGYZKE-UHFFFAOYSA-N	191.658	1.558	50	20	ADGD	
CC(=NNC(=O)C(C)C)[C@H]1CCCO1	783811132	GKACUHRZLMXVLP-SECBINFHSA-N	198.266	1.314	50	20	ADGD	
CN(NC(=O)[C@H]1CC1(C)C)C1CC1	819649474	SDBRWSGLKGRVSM-MRVPVSSYSA-N	182.267	1.158	50	20	ADGD	
C[C@@H]1CN(C(=O)Cl)CC(C)(C)O1	86894194	BFXOQADBCJWKNZ-ZCFIWIBFSA-N	191.658	1.845	50	20	ADGD	
CCC(=NNC(C)=O)C1CC1	307887041	VWYVUFNNKSMERL-UHFFFAOYSA-N	154.213	1.299	50	20	ADGD	
CC1(C)CCC[C@@H](C=NNC(N)=O)C1	752712903	FZSVZLMQLUYOFU-MRVPVSSYSA-N	197.282	1.857	50	20	ADGD	
NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	841837182	BPCGEZVATYJZQV-DJLDLDEBSA-N	197.282	1.128	50	20	ADGD	
CCOC(=O)NN=C[C@@H](C#N)C(C)C	1322871337	FKSYXNAYYXJAFH-MRVPVSSYSA-N	197.238	1.514	50	20	ADGD	
CC(=NNC(=O)C(C)C)c1ccc[nH]1	916327140	ADKHXVJSGAQOHL-UHFFFAOYSA-N	193.250	1.511	50	20	ADGD	
O=C(Cl)/C=C/CBr	112964917	ACFFAMJSFZINGL-OWOJBTEDSA-N	183.432	1.703	50	20	ADGD	
O=C(CCl)N1C[C@H]2CCC[C@H]2C1	126078656	ZYVKJRKYNPIUKC-OCAPTIKFSA-N	187.670	1.484	50	20	ADGD	
CCCC(=O)N1CC=C(C#N)CC1	307313049	HDXYHFQUBPOJLG-UHFFFAOYSA-N	178.235	1.469	50	20	ADGD	
CC(CC1CCCC1)=NNC(=O)CO	776781668	HCPVXUWRSFSTAV-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
C[C@H]1CC(=NNC(=O)C2CCC2)CO1	842528972	ZGXFMVNJXZZWEY-ZETCQYMHSA-N	196.250	1.068	50	20	ADGD	
CC(=O)OC[C@@H](C)Br	39402338	XCOBTKAHXPWRJI-SCSAIBSYSA-N	181.029	1.333	50	20	ADGD	
COc1cc(N=C=S)ncn1	114087228	ADKICMRIVXDIOP-UHFFFAOYSA-N	167.193	1.220	50	20	ADGD	
CC[C@@H]1CCCCC1=NNC(N)=O	252464076	CJSGDEAKZZMHEP-SSDOTTSWSA-N	183.255	1.611	50	20	ADGD	
CC(C)CC(=O)NCC(Cl)Cl	307625073	GGGLQDBKPHOTOM-UHFFFAOYSA-N	198.093	1.952	50	20	ADGD	
CC(=O)NN=C[C@H]1CCC[C@@H](C)C1	308204370	XLERAJOPURYXNC-SCZZXKLOSA-N	182.267	1.935	50	20	ADGD	
C[C@@H]1CCC(=NN(C)C(N)=O)C1	378871328	OJDOVTVOGBBJGZ-ZCFIWIBFSA-N	169.228	1.173	50	20	ADGD	
CCCCC(=O)NNc1cnccn1	734242552	KIGBXTWXBCWJTE-UHFFFAOYSA-N	194.238	1.110	50	20	ADGD	
C#CC1CCC(=NNC(=O)CC)CC1	853262153	ITZKKLDTOPUJAU-UHFFFAOYSA-N	192.262	1.692	50	20	ADGD	
O=C(NN=C1CCC[C@@H]1F)C(F)F	872365442	RDJWQUHJZYQGKS-BYPYZUCNSA-N	194.156	1.246	50	20	ADGD	
N[C@H](CCl)c1ccccc1	34616269	YZLUVSDGJWNNQY-MRVPVSSYSA-N	155.628	1.925	50	20	ADGD	
ClCCCOC1CCOCC1	40992861	BNWNRAQTFLJURA-UHFFFAOYSA-N	178.659	1.811	50	20	ADGD	
C[C@H](CCl)CO[C@H]1CCOC1	70067070	YQQLECWLSBFJAB-SFYZADRCSA-N	178.659	1.667	50	20	ADGD	
Cc1ccc(C=C(C#N)C#N)cn1	307544495	WHPXWBOTAXOOLO-UHFFFAOYSA-N	169.187	1.821	50	20	ADGD	
N#CC(C#N)=CNCC1CCC1	307622340	PPJJIRXEGSCCAV-UHFFFAOYSA-N	161.208	1.307	50	20	ADGD	
Cc1nc(/C=C(\C#N)C(=O)O)[nH]c1C	606263991	HNXHIBUHQYWLCK-XVNBXDOJSA-N	191.190	1.018	50	20	ADGD	
C=C[C@@H](C)N/C=C(/C#N)C(=O)OCC	756775074	MFPLXCSIHNHHSH-XZZQCUQZSA-N	194.234	1.121	50	20	ADGD	
Cc1c(CCl)ccc[n+]1[O-]	104728018	QZKWJKIXHKHXFJ-UHFFFAOYSA-N	157.600	1.367	50	20	ADGD	
CCC(=O)NN=Cc1nc(C)cs1	308289048	FXZFEQNUZCCNIK-UHFFFAOYSA-N	197.263	1.312	50	20	ADGD	
CC(=O)N(C)CC(Cl)Cl	307286054	PYVVQANYKNTGBW-UHFFFAOYSA-N	170.039	1.268	50	20	ADGD	
CN(NC(=O)[C@@H]1CC12CCC2)C1CC1	819649823	YPWWVDXWPZYNAO-VIFPVBQESA-N	194.278	1.302	50	20	ADGD	
O=C(NN=C1CCC[C@H]1F)C1CC1	872328028	NGQJWUIPJTYYHO-SSDOTTSWSA-N	184.214	1.391	50	20	ADGD	
CC(=O)OC[C@H](C)Br	39402337	XCOBTKAHXPWRJI-BYPYZUCNSA-N	181.029	1.333	50	20	ADGD	
O=C(Cl)[C@H]1COc2ccccc21	69910539	BGBATTJFQJBVRQ-ZETCQYMHSA-N	182.606	1.928	50	20	ADGD	
O=C(Cl)N1CCCOCC1	86894269	AYQXZOBTKKSJAV-UHFFFAOYSA-N	163.604	1.068	50	20	ADGD	
CC(C)(C)C[S@](=O)Cl	196506577	IFDYZVIEBKJYIW-QMMMGPOBSA-N	154.662	1.935	50	20	ADGD	
CCCCCC[C@H](C)C(=O)NN	217585763	PLEUDLYTGHYPPJ-QMMMGPOBSA-N	172.272	1.583	50	20	ADGD	
N#CC(C#N)=CNCC(F)(F)F	306537812	OKGVGCKICIKPEY-UHFFFAOYSA-N	175.113	1.069	50	20	ADGD	
COCC(=NNC(C)=O)C1CCCC1	780188299	NBRUTYVANHSOKA-UHFFFAOYSA-N	198.266	1.315	50	20	ADGD	
CCCOC(=O)N1CC=C(C#N)CC1	859099421	NJOZQRSONMMSDN-UHFFFAOYSA-N	194.234	1.689	50	20	ADGD	
C[C@@H]1CCC[C@H](NC(=O)NN)CC1	235261815	ISDFVSDCNGJKED-SFYZADRCSA-N	185.271	1.128	50	20	ADGD	
CCCC(CC)=NNC(=O)C(F)F	308371301	QIZADQNISQGLLA-UHFFFAOYSA-N	192.209	1.934	50	20	ADGD	
CCC(C=NNC(=O)C(F)F)CC	388735875	WMWVCYMMDJJQRD-UHFFFAOYSA-N	192.209	1.790	50	20	ADGD	
CC(C)C(=O)NN=C[C@H]1CCCOC1	814744726	QSPFGSMLQDWUHE-SECBINFHSA-N	198.266	1.171	50	20	ADGD	
CCc1cccnc1NC=C(C#N)C#N	751525753	WWAFDFUIEXUBGJ-UHFFFAOYSA-N	198.229	1.987	50	20	ADGD	
COCC(=O)NN=C1CCCC[C@@H]1C	761823114	AUUKEZZJFTUUFI-QMMMGPOBSA-N	198.266	1.315	50	20	ADGD	
CNC(=O)NN=C1CCC12CCCC2	788714169	DBNUUEKXGWINFP-UHFFFAOYSA-N	195.266	1.626	50	20	ADGD	
C[C@@H](CCl)Cc1nccn1C	82764908	HSHODDMWISMCMX-SSDOTTSWSA-N	172.659	1.838	50	20	ADGD	
CCC1CCC(=NNC(N)=O)CC1	70186804	SCQNJRHULPZMGA-UHFFFAOYSA-N	183.255	1.611	50	20	ADGD	
Cl[C@H]1CCCC12OCCO2	98179340	FXZZSBYEVGFUBC-LURJTMIESA-N	162.616	1.521	50	20	ADGD	
CCC(=NN(C)C(N)=O)[C@@H]1CC1(C)C	841631292	HCZBCQGCPHBISU-ZETCQYMHSA-N	197.282	1.809	50	20	ADGD	
C=CCCNC(=O)/C(C#N)=C/OCC	855381809	FEKLFCIEXVEQLB-CMDGGOBGSA-N	194.234	1.123	50	20	ADGD	
NNC(=O)CCCCc1ccccc1	144301173	VJOUMDGYPRRYAF-UHFFFAOYSA-N	192.262	1.389	50	20	ADGD	
O=[S@@](Cl)CCC1CC1	306800195	OFIPSQXUPMITJY-MRVPVSSYSA-N	152.646	1.689	50	20	ADGD	
C[C@@H](NC=C(C#N)C#N)c1ccccn1	747827579	RVNGCPCUTPBLSL-SECBINFHSA-N	198.229	1.663	50	20	ADGD	
CC1(C=NNC(=O)NCC2CC2)CC1	782215521	SOQGUDZRKFPKSC-UHFFFAOYSA-N	195.266	1.482	50	20	ADGD	
CCO[C@H]1C[C@@H]1Br	196687118	ZWWCCVSLTYAXLH-WHFBIAKZSA-N	165.030	1.559	50	20	ADGD	
CCOC(=O)NN=Cc1ccn(C)c1	749853225	FDLBSHANTDHYMD-UHFFFAOYSA-N	195.222	1.105	50	20	ADGD	
CC(C)C1(CNC=C(C#N)C#N)CC1	753134881	ZBOHORYMAGGQES-UHFFFAOYSA-N	189.262	1.943	50	20	ADGD	
O=C(CCl)Oc1ccccc1O	62719575	AWSSLZDEJGQPPW-UHFFFAOYSA-N	186.594	1.536	50	20	ADGD	
ClCc1cc2n(n1)CCCC2	165832513	QWNDXWFLUYJIMF-UHFFFAOYSA-N	170.643	1.958	50	20	ADGD	
CC#CC(=O)NNc1ccccc1	307653211	UHLOWZUPRVLEGH-UHFFFAOYSA-N	174.203	1.153	50	20	ADGD	
CCCCC(C)=NNC(=O)NC	307970333	GNNKDAGXESZLMU-UHFFFAOYSA-N	171.244	1.482	50	20	ADGD	
CCC(=O)NN=C1CCCC[C@@H]1OC	915936731	CDGRIQDKNIDKGX-VIFPVBQESA-N	198.266	1.458	50	20	ADGD	
CC(C)(C)N1C[C@H](CCl)OC1=O	70587773	HAQRVJXVMSWGQK-LURJTMIESA-N	191.658	1.845	50	20	ADGD	
ClCCCO[C@H]1CCOC1	82453578	LSAFNCGWERCBLB-ZETCQYMHSA-N	164.632	1.421	50	20	ADGD	
CCNC(=O)NCC(Cl)Cl	306770194	FQZHCSJDNSXYDP-UHFFFAOYSA-N	185.054	1.109	50	20	ADGD	
N#CC(C#N)=CNC[C@@H]1CCCS1	307230705	ASQODSSKTVPBQE-VIFPVBQESA-N	193.275	1.403	50	20	ADGD	
CCCNC(=O)NN=C1CCC[C@H]1C	729141648	BUPGHNSMBPDGAN-MRVPVSSYSA-N	197.282	1.872	50	20	ADGD	
CC[C@@H](C(=O)NN)c1ccc(F)cc1	825645025	NBZNCOJGRUUNCT-SECBINFHSA-N	196.225	1.309	50	20	ADGD	
CC[C@H]1CCCC1=NNC(=O)O	826668964	SQBUBMDAUSFBKK-LURJTMIESA-N	170.212	1.820	50	20	ADGD	
CC(=O)NN=C1C[C@@H](C)CC[C@H]1C	834919482	VEIBPRCGCWZRCN-JGVFFNPUSA-N	182.267	1.935	50	20	ADGD	
CCC(=O)NN=C(CC)[C@H]1C[C@@H]1C	841604741	UMPVRZAAMSEOKF-YUMQZZPRSA-N	182.267	1.935	50	20	ADGD	
CC(C)CC(=O)N=C=S	35121724	LAJGSTFFYMRWDX-UHFFFAOYSA-N	143.211	1.662	50	20	ADGD	
CC1=C(B(O)O)C(C)(C)CCC1	200993228	SSFWFFBKZHIGJO-UHFFFAOYSA-N	168.045	1.525	50	20	ADGD	
COc1cc(CCl)ncc1F	238402010	JCHWIHDFIVKHNN-UHFFFAOYSA-N	175.590	1.968	50	20	ADGD	
C=C/C=C/CCNC(=O)CCl	713452883	LSCAWWLLLLZMRW-ONEGZZNKSA-N	173.643	1.474	50	20	ADGD	
F[C@@H]1OCCC[C@@H]1Br	196702173	PXFAXLVYXPNKEY-CRCLSJGQSA-N	183.020	1.856	50	20	ADGD	
C[C@H]1C[C@@H](NC=C(C#N)C#N)CCO1	769551462	LBYNKVCVTQBILY-WPRPVWTQSA-N	191.234	1.075	50	20	ADGD	
CSC[C@H](Cl)C(=O)O	34504504	YFHYINCCYYGKCG-VKHMYHEASA-N	154.618	1.041	50	20	ADGD	in-vitro
O=Cc1cnn(CCCCl)c1	68593798	NOJPBDHUOPXGNF-UHFFFAOYSA-N	172.615	1.325	50	20	ADGD	
CNC(=O)NN=C[C@H]1C[C@H]2CC[C@H]1C2	762417637	IADUUXVHAOONDB-XHNCKOQMSA-N	195.266	1.337	50	20	ADGD	
NC(=O)NNc1cccc(Cl)c1	38392118	NSFCEEQQMTUUED-UHFFFAOYSA-N	185.614	1.335	50	20	ADGD	
O=C(CCl)NCc1ccc(O)cc1	83343291	MGTOCJBCUXADJE-UHFFFAOYSA-N	199.637	1.247	50	20	ADGD	
Cc1cccc(/C=C(/C#N)C(=O)O)c1	199727940	OKXSDRXATUYNHB-POHAHGRESA-N	187.198	1.987	50	20	ADGD	
C[C@H]1C[C@H]1C=NNC(=O)C(F)F	379314788	PQGQJVSOTKWNCL-WHFBIAKZSA-N	176.166	1.010	50	20	ADGD	
CC(=O)NN=C1CCCC[C@H]1C	388508484	PWBOPQRLBQBCBG-SSDOTTSWSA-N	168.240	1.689	50	20	ADGD	
CC[C@@H](CC1CCCCC1)C(=O)NN	825652185	QFPLOLGZFSGOLN-JTQLQIEISA-N	198.310	1.973	50	20	ADGD	
CN(N)C(=O)Cc1ccccc1Cl	704708164	YAOQSYZGHRVFIU-UHFFFAOYSA-N	198.653	1.215	50	20	ADGD	
CC(C)C[C@H](CN)[C@@H](Cl)C(=O)O	2048531841	IILCRAGSRBCOQJ-RNFRBKRXSA-N	193.674	1.299	50	20	ADGD	
OC[C@@H](Cl)c1ccccc1	96334182	WTGUAUVAXDZHJX-MRVPVSSYSA-N	156.612	1.959	50	20	ADGD	
CCC(C)=NNC(=O)C(F)F	307888989	XKBFBDRXVYQQEK-UHFFFAOYSA-N	164.155	1.154	50	20	ADGD	
CCOC(=O)NN=C(C)[C@@H](C)OC	379387482	HMOYWHWJPIBMGZ-SSDOTTSWSA-N	188.227	1.143	50	20	ADGD	
C[C@@H]1CCCC(=NNC(N)=O)[C@@H]1C	252474149	ZIRMCSGQIXSNSV-RNFRBKRXSA-N	183.255	1.467	50	20	ADGD	
CO[C@@H](C)CN1CC=C(C#N)CC1	306499370	JIJFLQHLQWROBS-VIFPVBQESA-N	180.251	1.177	50	20	ADGD	
CC1(C)[C@H]2CN(C(=O)CCl)C[C@@H]21	306549002	QCTQOWOMMOYBPZ-BQBZGAKWSA-N	187.670	1.340	50	20	ADGD	
C[C@@H](CCC(=O)NN)c1ccccc1	825652541	WFPRBQPRFSKDJA-VIFPVBQESA-N	192.262	1.560	50	20	ADGD	
CCC(CC)NC=C(C#N)C#N	306263737	NMYJEFWIUZWSTG-UHFFFAOYSA-N	163.224	1.696	50	20	ADGD	
CC1=CC(=NNC(N)=O)CCC1	388106045	XCZHWHPKBJQSGU-UHFFFAOYSA-N	167.212	1.141	50	20	ADGD	
CC(C)C(=O)NN=C1CCOC[C@H]1C	794475803	CPTYFLANCQKOAM-MRVPVSSYSA-N	198.266	1.171	50	20	ADGD	
CC[C@@H]1CCCC(=NNC(N)=O)C1	252464091	CXRZYXIFPMESFW-SSDOTTSWSA-N	183.255	1.611	50	20	ADGD	
CCN1C[C@@H](CCl)OC1=O	70559278	SIORPLBZIGTYFR-RXMQYKEDSA-N	163.604	1.066	50	20	ADGD	
CC(C)(C)C(C)(C)CNC(=O)NN	258840921	WDUODYQNKKCVCC-UHFFFAOYSA-N	187.287	1.232	50	20	ADGD	
CC[C@H](C)[C@@H](C)C(=O)NN(C)C1CC1	819650255	WIDPAHDSNOBJSK-DTWKUNHWSA-N	198.310	1.794	50	20	ADGD	
CC(C)[C@@H](F)C(=O)NN(C)C1CC1	819652042	ZLOHVSJJHRZTPS-MRVPVSSYSA-N	188.246	1.106	50	20	ADGD	
CC[Si](CC)(CC)ON	1857791389	SNMXXRVZHDXXST-UHFFFAOYSA-N	147.294	1.882	50	20	ADGD	
CCCCc1ccc(C(=O)NN)cc1	37388487	JFDZAEYTIUUPND-UHFFFAOYSA-N	192.262	1.633	50	20	ADGD	
CCC(=NNC(=O)OC)C(C)C	307948423	LULIVDNLVHOXFU-UHFFFAOYSA-N	172.228	1.764	50	20	ADGD	
C[C@@H](Cc1cc(C2CC2)on1)N=C=O	716321553	YQQLXXQDKKOSNB-ZETCQYMHSA-N	192.218	1.819	50	20	ADGD	
C#CCCCCCC=NNC(=O)OC	834918855	JZSSAUWLKDDMRP-UHFFFAOYSA-N	196.250	1.912	50	20	ADGD	
Cc1ccsc1/C=C(/C#N)C(N)=O	12410501	XGSABVCQEPABNJ-DAXSKMNVSA-N	192.243	1.449	50	20	ADGD	
CC(=NNC(N)=O)c1sccc1C	252468427	MRCBUAKPLXPIJC-UHFFFAOYSA-N	197.263	1.449	50	20	ADGD	
CCNC(=O)N(C)N=CC(C)C	307998384	XTBDKJBDFKJGRM-UHFFFAOYSA-N	171.244	1.290	50	20	ADGD	
N#CCC(=O)NNc1cccc(F)c1	773455990	PUMZRNSNEQVXOF-UHFFFAOYSA-N	193.181	1.182	50	20	ADGD	
CCC(C)=NNC(=O)[C@@H]1CCO[C@H]1C	842554480	LOOAVUCWFDKYPJ-DTWKUNHWSA-N	198.266	1.314	50	20	ADGD	
C/C=C\C(=O)NN[C@H](C)C(F)(F)F	862302828	CFPRGHZAPFJELO-CLBPYYFESA-N	196.172	1.134	50	20	ADGD	
CC(C)(C)OC(=O)NN=CC1CC1	308133534	CQGJBDJDWZLPGV-UHFFFAOYSA-N	184.239	1.907	50	20	ADGD	
COC(=O)N(C)N=Cc1ccc[nH]1	379379691	BJAJRAHZXFAOMV-UHFFFAOYSA-N	181.195	1.047	50	20	ADGD	
CCCNC(=O)NN=CC1CCCC1	741839834	UBXOUQIBMUCTOM-UHFFFAOYSA-N	197.282	1.872	50	20	ADGD	
CCC(=O)NNc1ccc(F)cc1C	748549496	ORVHWAAEVYDZEI-UHFFFAOYSA-N	196.225	1.987	50	20	ADGD	
CNC(=O)NN=C1CC(C)(C)C[C@H]1C	766013834	QHHBAVUJYXPGGS-SSDOTTSWSA-N	197.282	1.728	50	20	ADGD	
CC(=O)NN=Cc1cc(C)cc(C)c1	921254583	ZBGMHIBVSXKCMA-UHFFFAOYSA-N	190.246	1.773	50	20	ADGD	
C[C@H]1CO[C@H](C)CN1C(=O)Cl	86889796	VTVAFMMTDOMEOT-NTSWFWBYSA-N	177.631	1.454	50	20	ADGD	
CCC(C[C@@H](C)CC)=NNC(N)=O	252453584	OIBFUBROYDPYMI-ZETCQYMHSA-N	185.271	1.857	50	20	ADGD	
N#Cc1cnccc1NC(=O)CCl	306467186	LQAHLOBDOGRZEZ-UHFFFAOYSA-N	195.609	1.131	50	20	ADGD	
CN(C(C)(C)C)S(=O)(=O)CCl	307565754	RVDGOGPYFNJBLZ-UHFFFAOYSA-N	199.703	1.243	50	20	ADGD	
CCNC(=O)NN=C[C@H](C)CC(C)C	799110635	YSSVJABSSXYWAB-SECBINFHSA-N	199.298	1.974	50	20	ADGD	
CCOC(=O)NN=C1CCC[C@H]1F	872326360	GEFQQBNCDXLLCR-ZCFIWIBFSA-N	188.202	1.611	50	20	ADGD	
O=[N+]([O-])c1ccc(CCl)cn1	138265232	RTOLWDXJQWUYEN-UHFFFAOYSA-N	172.571	1.729	50	20	ADGD	
CN(C)C(=O)NN=C1CCC1(C)C	308373972	RHDPHCWIUXLIKN-UHFFFAOYSA-N	183.255	1.434	50	20	ADGD	
CNC(=O)NN=Cc1ccsc1C	382150237	PHDSYMOTDKCKGM-UHFFFAOYSA-N	197.263	1.319	50	20	ADGD	
CC(C)[C@H]1CCCC(=NNC(N)=O)C1	308278356	TYFAEMGLLUJSRC-QMMMGPOBSA-N	197.282	1.857	50	20	ADGD	
CC(=O)NN=C1CCC12CCOCC2	799864840	LBHHNGWYXRXDTL-UHFFFAOYSA-N	196.250	1.069	50	20	ADGD	
CCC[C@@H](C)NS(=O)(=O)CCl	82512004	UTEKXEOSAXTZKM-ZCFIWIBFSA-N	199.703	1.291	50	20	ADGD	
CC(C)Cc1ccc(C(=O)NN)cc1	145401774	LCLIYLBRRXYQGX-UHFFFAOYSA-N	192.262	1.489	50	20	ADGD	
CC(=O)NNc1c(F)cccc1F	198959025	OXHIPEJGSXXIRR-UHFFFAOYSA-N	186.161	1.428	50	20	ADGD	
CCc1nc(SC/C=C/C#N)n[nH]1	379387767	IEOBPQJSJPHJOC-ONEGZZNKSA-N	194.263	1.539	50	20	ADGD	
O=c1c(CCl)cccn1CC1CC1	409423547	CDSVTAIHZCALJY-UHFFFAOYSA-N	197.665	1.997	50	20	ADGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)O	606264246	ZWZGTBXJBUHEQP-CLTKARDFSA-N	191.190	1.018	50	20	ADGD	
CCCCC=NNC(=O)c1ccc[nH]1	755608233	HYHYYPOWPIYVAT-UHFFFAOYSA-N	193.250	1.921	50	20	ADGD	
C=CCCN/C=C(\C#N)C(=O)OCC	849174184	LUENVKNEYYRCSE-CMDGGOBGSA-N	194.234	1.123	50	20	ADGD	
Cc1cccc(C)c1C=NNC(N)=O	389009206	HBNFCRPCIJBEDE-UHFFFAOYSA-N	191.234	1.306	50	20	ADGD	
Cc1ccc(NC(=O)CCl)c(C)n1	83822386	DRVAOFHFHDQPCQ-UHFFFAOYSA-N	198.653	1.876	50	20	ADGD	
C[C@@H]1OCC[C@@]1(C)NC=C(C#N)C#N	783690052	ZXIDECRAJMNYNS-WCBMZHEXSA-N	191.234	1.075	50	20	ADGD	
CCC[C@H](C=NNC(=O)OC)OC	834919327	SLJAUUXKZAOKAR-SSDOTTSWSA-N	188.227	1.143	50	20	ADGD	
N#CC(C#N)=CNC/C=C/C1CC1	1118006623	LWEKPSCUGHJHML-OWOJBTEDSA-N	173.219	1.473	50	20	ADGD	
ClC[C@@H]1CO[C@@]2(CCCOC2)O1	134962076	RVCXRFRBXHZULG-SFYZADRCSA-N	192.642	1.147	50	20	ADGD	
CNNC(=O)[C@H](C)c1ccccc1C	259013980	OQJLIPHRKVOOPX-SECBINFHSA-N	192.262	1.349	50	20	ADGD	
CCC(=NNC(C)=O)c1cccs1	308291968	HPWYBHCQDCAKMO-UHFFFAOYSA-N	196.275	1.998	50	20	ADGD	
CNC(=O)NN=C1CCC[C@H]1C	388380288	MMMDMNFLYIXLJL-ZCFIWIBFSA-N	169.228	1.091	50	20	ADGD	
CCNC(=O)NN=C(CC)C(C)C	388907932	OVBFUJCNSWZCAI-UHFFFAOYSA-N	185.271	1.728	50	20	ADGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)CC	730941491	NJSJRTIFUGBVOH-KGOFQHAKSA-N	196.250	1.345	50	20	ADGD	
CC1(C)CCCCC1=NNC(=O)CO	776779202	AHPPINNMCXHUCE-UHFFFAOYSA-N	198.266	1.051	50	20	ADGD	
C[C@H](C(=O)NN(C)C1CC1)C(C)(C)C	819646832	GXOAZGNERJIIAX-MRVPVSSYSA-N	198.310	1.794	50	20	ADGD	
C[C@@]12CC=CC[C@@H]1C(=O)OC2=O	64633512	SOOZEQGBHHIHEF-HZGVNTEJSA-N	166.176	1.042	50	20	ADGD	in-vitro
O=[S@](Cl)CC1CC1	306784969	NBFNMGSIVUAWRA-ZETCQYMHSA-N	138.619	1.299	50	20	ADGD	
CC(=O)NN=C[C@H]1C[C@H]2CC[C@H]1C2	308153783	PZPULGXYZFXXID-LPEHRKFASA-N	180.251	1.545	50	20	ADGD	
COCCC(=NNC(C)=O)C(C)C	379398862	FXDUXVHKDHAYIN-UHFFFAOYSA-N	186.255	1.171	50	20	ADGD	
CC(C)C(=O)NN=C1C[C@@H](C)O[C@H]1C	834928712	XLMNUFJSXQGIKT-SFYZADRCSA-N	198.266	1.312	50	20	ADGD	
C[C@H]1CC[C@@H](C)CC1=NN(C)C(N)=O	834967427	DJIGPBXPCAEWLS-SFYZADRCSA-N	197.282	1.809	50	20	ADGD