smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H](CCc1ccco1)Nc1c2ccccc2nc2ccccc12	4047318	XOGPDIWAQLSUDB-HNNXBMFYSA-N	316.404	5.414	10	40	DKCB	biogenic
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	409157880	WCLGOBBYSRQXNH-PEBVRCNWSA-N	317.766	5.445	10	40	DKCB	
Nc1ccc(/N=N\c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1	100368362	GYSBIUPPXQOLIQ-MMUCEYJRSA-N	316.368	5.682	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1	8413348	OAFMWRDHQIRLHR-UHFFFAOYSA-N	309.412	6.120	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	4321347	FIZHZANIWBCRQK-AUSJPIAWSA-N	323.823	5.369	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	6943947	VAPCFQIYHPQMMS-UWVAXJGDSA-N	309.840	5.729	10	40	DKCB	
Cc1ccc(-c2nc3ccccn3c2Nc2c(C)cccc2C)o1	201181	NYMHYIHRICNVON-UHFFFAOYSA-N	317.392	5.263	10	40	DKCB	
Cc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1C	4657157	GYJYGBAGTYUELC-QURGRASLSA-N	302.377	6.091	10	40	DKCB	
FC(F)(F)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	409173497	IWTCSXBKSOUBQM-CKEIUWERSA-N	315.338	5.532	10	40	DKCB	
Cc1ccc(-c2cccc(Cl)c2)n1-c1ccc(N(C)C)cc1	228928672	NPZVGUZAGLHPIW-UHFFFAOYSA-N	310.828	5.172	10	40	DKCB	
CCOc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	226866504	ILSAQISAZBRANU-UWVAXJGDSA-N	309.384	5.051	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	6324090	IMXRVLQQKVKXDZ-UEXGIBASSA-N	321.439	5.950	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccccc3)[C@H]2C1	7097120	DGCJHFMPJJCZIS-HFMPRLQTSA-N	323.439	6.180	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1	8087450	MAPBINSKWVMDFI-BXWFABGCSA-N	309.840	5.729	10	40	DKCB	
CCN(CC)c1ccc(/C=C/c2c(C)cnc3ccccc23)cc1	1559838	AFHYWXWIJKOGPJ-NTCAYCPXSA-N	316.448	5.560	10	40	DKCB	
Cc1ccc(N/C=C2/C=C(c3ccccc3)SC2=S)c(C)c1	100499467	JCHUXUWXBBZDMX-VBKFSLOCSA-N	323.486	5.715	10	40	DKCB	
Fc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@@H]32)c1	7098977	IHMSWUVYBPHBEK-ZJOUEHCJSA-N	315.391	5.805	10	40	DKCB	
Cc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1	4168509	RJGHPAYOFVCJQG-UHFFFAOYSA-N	300.361	5.146	10	40	DKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(Cl)c(CNC(C)C)cc21	223822364	NSZGWCQHDOYPLV-UHFFFAOYSA-N	320.908	5.248	10	40	DKCB	
O=C(NCc1ccco1)Nc1ccc(/N=N/c2ccccc2)cc1	18038439	XBOKFHURBRUDMB-QURGRASLSA-N	320.352	5.017	10	40	DKCB	
CCn1c(C)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1	100840852	SFTCEKYJYPUVRO-IBNZCFEPSA-N	322.437	5.526	10	40	DKCB	
Cc1ccc(C2=C/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1	1029020	KERQWSTXMMQOFT-UNOMPAQXSA-N	304.389	5.100	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	4309347	XQHNYSILRSSGJL-GRDNDAEWSA-N	316.231	5.820	10	40	DKCB	
C(=C/c1ccc2ccccc2n1)\c1ccc(N2CCCCC2)cc1	6787255	GAEYLINOYVEEEF-XYOKQWHBSA-N	314.432	5.396	10	40	DKCB	
Cc1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	4456010	UTZIFQWZQXYWPZ-QKLQHJQFSA-N	320.392	5.038	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccccc3)[C@@H]2C1	7097283	DGCJHFMPJJCZIS-IMSXRSKXSA-N	323.439	6.180	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	409172989	HAXBKZFFIYQJNZ-UWVAXJGDSA-N	321.439	5.950	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	59267067	WMRCXBIJEIQCTN-MBOZVWFJSA-N	309.384	5.051	10	40	DKCB	
O=[N+]([O-])c1ccc(N/N=N/c2cc(Cl)ccc2Cl)cc1	5002681	WFBPGHDPLJSQRZ-UHFFFAOYSA-N	311.128	5.012	10	40	DKCB	
CCc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	409169443	QVCZRZSGKIFVHW-XKGZKEIXSA-N	309.840	5.729	10	40	DKCB	
Clc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1Cl	4622103	BDMZARFPSCMUOE-RRUGBERISA-N	316.231	5.820	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21	7099928	UPMWNZWNJOUAAA-JKDFXYPNSA-N	317.219	5.215	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	177919	FIZHZANIWBCRQK-SIFCLUCFSA-N	323.823	5.369	10	40	DKCB	
CCN(CC)c1ccc(/C=C\c2ccnc3ccccc23)cc1	16892120	RHVPFAMWEKAIHJ-XFXZXTDPSA-N	302.421	5.251	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6935759	UGMHMXUVVMJVHA-KSMMKXTCSA-N	309.384	5.051	10	40	DKCB	
FC(F)(F)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	7096353	IWTCSXBKSOUBQM-GRDNDAEWSA-N	315.338	5.532	10	40	DKCB	
Cc1cc(/N=N\c2ccc(/N=N/c3ccccc3)cc2)ccc1O	100108671	VGKYEIFFSOPYEW-ULSZVZLESA-N	316.364	6.531	10	40	DKCB	
Cc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)o1	5618455	WTCCSCJWFLOPBS-QZQOTICOSA-N	305.337	5.256	10	40	DKCB	
c1ccc(/N=N/c2ccc3c(c2)CN(c2ccccc2)CO3)cc1	4812037	OKLAXYJQSMFZAV-QURGRASLSA-N	315.376	5.459	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20757561	LWIDLNZVULCAGW-QWQRMKEZSA-N	316.231	5.820	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409161893	ZXTWQGLYGLNCAT-SPYBWZPUSA-N	313.803	5.614	10	40	DKCB	
Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	4839499	VFLNARZAHJYLBO-MPGHIAIKSA-N	316.231	5.820	10	40	DKCB	
CCn1c(C)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1	101338309	SFTCEKYJYPUVRO-HYGARKJASA-N	322.437	5.526	10	40	DKCB	
Cc1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1	408722807	NJGJFPQSRDNXNV-NDENLUEZSA-N	312.368	5.130	10	40	DKCB	
Cc1cc(/N=N/c2ccccc2)cc(/N=N/c2ccccc2)c1O	102413386	RPZZLBYXHLWEOJ-DQPVQCHKSA-N	316.364	6.531	10	40	DKCB	
Fc1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@@H]21	408736194	KSXHUCUUGBQQLW-HYFFOGBASA-N	315.391	5.805	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	409151351	BITIFXUAHJDQLP-MBOZVWFJSA-N	309.840	5.729	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754649	NHXKVEZSMIDNDV-QWFCFKBJSA-N	307.412	5.776	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	6962748	UKASIYKPXFFKKK-STXHMFSFSA-N	309.840	5.783	10	40	DKCB	
Cc1cc(/N=N/c2ccccc2)ccc1/N=N\c1ccccc1	100369110	MJRFLRVQFACVJO-JKZRTEGISA-N	300.365	6.826	10	40	DKCB	
Cc1ccc(Nc2c(-c3ccco3)nc3ccc(Cl)cn23)cc1	3906263	OQEIKALTAZADMD-UHFFFAOYSA-N	323.783	5.300	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	15188318	UTZIFQWZQXYWPZ-MBOZVWFJSA-N	320.392	5.038	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	6347614	WWKOCQXSJJQFSU-UEXGIBASSA-N	307.412	5.776	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409165100	SKACCDVOSPLJSK-XPIZARPCSA-N	307.412	5.776	10	40	DKCB	
CCN1c2ccc(CNc3ccc(F)cc3)cc2C(C)=CC1(C)C	2283260	FFQSBSIJNSEXCB-UHFFFAOYSA-N	324.443	5.460	10	40	DKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462746	CGZZRIMJHIXEIF-DXIQSLLYSA-N	303.449	5.945	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	6347714	DOSJRSQHNFEDJR-KUDFPVQQSA-N	323.867	6.290	10	40	DKCB	
Fc1cccc2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21	58850834	CTCCPTSWZLTRPY-KWFDTGPKSA-N	317.766	5.445	10	40	DKCB	
Cc1ccc(C)n1-c1ccc(Oc2ccc3ccccc3c2)cc1	7468526	XJDWBGSRBLDKJP-UHFFFAOYSA-N	313.400	6.040	10	40	DKCB	
CC(C(=S)c1ccccc1)=C1S[C@H]2CCCC[C@H]2S1	18194178	SWSJLUIYCQWUEP-OKILXGFUSA-N	306.521	5.427	10	40	DKCB	
CCCCN1c2cc(C)c(CNCCC)cc2[C@@H](C)CC1(C)C	223787243	WDAJIGJOODVNIP-KRWDZBQOSA-N	316.533	5.387	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	409152195	DNMMTYDBWACNTL-JKIFEVAISA-N	317.766	5.445	10	40	DKCB	
CC[C@H](c1ccc(N(C)C)cc1)N(CC)c1ccc(Cl)cc1	1760758	WUWPPIKHYLJYJG-LJQANCHMSA-N	316.876	5.384	10	40	DKCB	
Cc1cc(/N=N\c2ccccc2)ccc1/N=N\c1ccccc1	100369104	MJRFLRVQFACVJO-YEUCEMRASA-N	300.365	6.826	10	40	DKCB	
CC(C)c1ccc2oc(-c3ccc(-n4cccc4)cc3O)nc2c1	226281916	WAVUFTKMLVEZTM-UHFFFAOYSA-N	318.376	5.115	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409161922	XAZPXGMEVIWJPB-VPZZIHKRSA-N	313.803	5.614	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccncc3)[C@H]2C1	20059018	PQRRGKFDUQSERQ-SXWKCWPCSA-N	324.427	5.575	10	40	DKCB	
O=C1c2ccccc2[C@H]2[C@H]3CC=C[C@H]3c3c(ccc4ccccc34)N12	101696020	OQDRJPLQLNJEPD-HYFFOGBASA-N	323.395	5.215	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409156230	RHMGXYRVNYGREP-ZRGWGRIASA-N	313.803	5.614	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1	409160378	WOJXTKJJZZDDQN-OPYAIIAOSA-N	323.867	6.037	10	40	DKCB	
Nc1nc(-c2ccccc2)c(/N=N\c2ccc(Cl)cc2)s1	18256351	OGLXTLILXBPUFO-VXPUYCOJSA-N	314.801	5.461	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	20699813	BWVZHUQQERTSPC-QWFCFKBJSA-N	323.867	6.290	10	40	DKCB	
Clc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1	226731922	FCXFQKRKNNOLMQ-KEYYUXOJSA-N	316.231	5.820	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21	4450133	ZPSCRYWKCOJMAB-AHIWAGSCSA-N	317.219	5.215	10	40	DKCB	
Fc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)cc1	4697069	TWBBQIAAFARZGU-DXIQSLLYSA-N	315.391	5.805	10	40	DKCB	
CC(C)(C)CC(C)(C)c1ccc(O)c(CN2CCCCC2)c1	1706378	GWNLLAJONXXKEC-UHFFFAOYSA-N	303.490	5.092	10	40	DKCB	
Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@H]21	4117447	AYIPFKKBJMBCJJ-GSHUGGBRSA-N	315.391	5.805	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	409152191	DNMMTYDBWACNTL-CPUCHLNUSA-N	317.766	5.445	10	40	DKCB	
O=C(Nc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1	4016621	SIMXZFHSFMLYDZ-GHVJWSGMSA-N	316.364	5.746	10	40	DKCB	
CCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	223787577	DYKFZHDVBNYCHK-AWEZNQCLSA-N	322.924	5.340	10	40	DKCB	
c1ccc(/N=N/C2=NN(c3ccccc3)[C@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)cc1	103750856	LNNKPMHPCSEURD-KTPHMMOESA-N	316.408	5.019	10	40	DKCB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](N=[N+]=[N-])CC[C@@]43C)[C@@H]1CCC2=O	118918783	WRRHJVBXSKFWKX-LUJOEAJASA-N	315.461	5.277	10	40	DKCB	
COc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	8115869	NWTGYPAYRDSASF-SUNYJGFJSA-N	311.812	5.175	10	40	DKCB	
Cc1ccc2nc(-c3ccco3)c(Nc3cccc(Cl)c3)n2c1	35616143	GUVTZUUGYUZUNW-UHFFFAOYSA-N	323.783	5.300	10	40	DKCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460232	PWCOXWGUWJISTM-GJYPPUQNSA-N	311.812	5.175	10	40	DKCB	
C[C@H](CCc1ccco1)Nc1c2ccccc2nc2ccccc12	4047321	XOGPDIWAQLSUDB-OAHLLOKOSA-N	316.404	5.414	10	40	DKCB	biogenic
Clc1cccc(Nc2c3ccccc3nc3ccccc23)c1	3899977	XNOGQBRATHMGLR-UHFFFAOYSA-N	304.780	5.785	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409154328	NOPKYSZEJAMBCH-LPMFXHHGSA-N	313.803	5.614	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccccn3)[C@@H]2C1	7097330	UZMKDLNVEZVTEA-YCRNBWNJSA-N	324.427	5.575	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	226677158	SBZSDBKFFCQKGH-UWVAXJGDSA-N	309.840	5.783	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	409157953	XASMXLMMUSPAQT-QKLQHJQFSA-N	309.840	5.783	10	40	DKCB	
CCc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	409159302	SIVIJIPBCUYGSS-UWVAXJGDSA-N	309.840	5.729	10	40	DKCB	
Cc1cc(/[N+]([O-])=N\c2ccccc2)ccc1/N=N/c1ccccc1	100369133	PTJVCTNAKUVCCH-RLJRJAJVSA-N	316.364	6.336	10	40	DKCB	
Cc1ccc(-c2ccc(C(C)C)cc2)n1-c1ccc(C(C)C)cc1	228929819	LBZYTMMLDPFRKO-UHFFFAOYSA-N	317.476	6.700	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	409151347	BITIFXUAHJDQLP-FUHIMQAGSA-N	309.840	5.729	10	40	DKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	226803412	UWYYQOMXTJDUOL-IGCXYCKISA-N	316.231	5.820	10	40	DKCB	
Cc1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)c(C)c1	100458983	UOPBPDBRMYKUAC-WCWDXBQESA-N	317.396	5.066	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	6967091	HNDNTUDGYBSZFV-AVYPCKFXSA-N	320.392	5.038	10	40	DKCB	
CN(C)c1ccc(/C=C\c2ccnc3c(Cl)cccc23)cc1	17062555	GEZCMBFIQLXVGN-TWGQIWQCSA-N	308.812	5.125	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	6324176	HAXBKZFFIYQJNZ-ZWOKBUDYSA-N	321.439	5.950	10	40	DKCB	
CCCNCc1cc2c(cc1Cl)N(CCC)C(C)(C)C[C@H]2C	260716795	FSZFMOCAOJKHMA-CQSZACIVSA-N	322.924	5.342	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	20700654	DOSJRSQHNFEDJR-WJPUGNRLSA-N	323.867	6.290	10	40	DKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(F)cccc1Cl)N2	58850813	LTGNSVVHIGQZKQ-FTLABTOESA-N	317.766	5.445	10	40	DKCB	
CC[n+]1c(C)csc1Nc1ccc(/N=N\c2ccccc2)cc1	100909098	SFTCEKYJYPUVRO-MRCUWXFGSA-O	323.445	5.523	10	40	DKCB	
Oc1ccc(/N=N/c2nonc2-c2ccccc2)c2ccccc12	5685057	SDXGHMLWINLREF-FMQUCBEESA-N	316.320	5.011	10	40	DKCB	
Brc1cc(/N=N/c2ccccc2)c2cccccc1-2	5515353	CWIPSQFTHRDBII-VHEBQXMUSA-N	311.182	5.969	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	8276796	ZXTWQGLYGLNCAT-QMTMVMCOSA-N	313.803	5.614	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	226709210	MDJAXVIBRZOMHX-UWVAXJGDSA-N	309.840	5.783	10	40	DKCB	
O=C(C(=O)c1cccc2ccccc12)c1cccc2ccccc12	1634291	BBWHFKLQXLXHNI-UHFFFAOYSA-N	310.352	5.059	10	40	DKCB	
COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c1	8168464	SXXGMVBRZILBOU-BXWFABGCSA-N	311.812	5.175	10	40	DKCB	
COc1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1	96191708	HTSUGCRMTITIHG-QURGRASLSA-N	303.365	5.854	10	40	DKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	58850636	OLGHAYFHAPLUMZ-WQGACYEGSA-N	317.219	5.215	10	40	DKCB	
Cc1nc2cccc(/N=N/c3c(O)ccc4ccccc34)c2n1C	4455834	CIXTYBFROVGSAP-QURGRASLSA-N	316.364	5.156	10	40	DKCB	
Oc1ccc(/N=N\c2ccccc2)c(O)c1/N=N\c1ccccc1	100365011	XVTNUIZCUDPIOU-WRBBJXAJSA-N	318.336	5.929	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409154817	PDENWUUQGOAAJI-GPMSIDNRSA-N	309.384	5.051	10	40	DKCB	
CN(C)Cc1cc(/N=N\c2c(Cl)cccc2Cl)ccc1O	104312696	BDUAUGFOKGYKLY-HNENSFHCSA-N	324.211	5.176	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	20699387	NFXOBVALQHSIQZ-ABSDTBQOSA-N	309.840	5.783	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	6347641	WWKOCQXSJJQFSU-WFXMLNOXSA-N	307.412	5.776	10	40	DKCB	
O=C1CCCc2c1cc(-c1ccccc1Cl)n2-c1ccccc1	1393245	ROXAGZZIKWBLIZ-UHFFFAOYSA-N	321.807	5.317	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	6962710	HOJAULRVBXREFP-UWVAXJGDSA-N	309.840	5.783	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	20694911	CRGNLVSNOUXHRN-SQGPQFPESA-N	309.840	5.783	10	40	DKCB	
CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	4959560	WMRCXBIJEIQCTN-QKLQHJQFSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14463881	ISABDVXOMWEITH-RFWXGWTQSA-N	311.428	5.975	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1	20697703	ACZMDPFWEBBCBK-HLIPFELVSA-N	323.867	6.290	10	40	DKCB	
Cc1ccc2c(c1C)N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	226720931	DIEHANJQXKKANG-UWVAXJGDSA-N	309.840	5.783	10	40	DKCB	
COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)c1	20755034	XZYWAYCGNIDIAL-RKVPGOIHSA-N	311.812	5.175	10	40	DKCB	
COc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	409163230	NWTGYPAYRDSASF-HBUWYVDXSA-N	311.812	5.175	10	40	DKCB	
Nc1nc(-c2ccccc2)c(/N=N\c2cccc(Cl)c2)s1	104108818	GRZDTFWCZUZSSY-VXPUYCOJSA-N	314.801	5.461	10	40	DKCB	
Cc1ccc(-c2ccc(OC(F)(F)F)cc2)n1-c1ccccc1	199761156	NBKMHMKOTQVJAX-UHFFFAOYSA-N	317.310	5.351	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	6944782	YUPCZRZMBJTOMB-IMFGXOCKSA-N	309.840	5.729	10	40	DKCB	
Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(F)cc2)o1	3909769	ONLUNWCPYPLTSD-UHFFFAOYSA-N	321.355	5.094	10	40	DKCB	
O=[N+]([O-])c1ccc(/N=N/c2c(Cl)cc(O)cc2Cl)cc1	18193841	ZTXWNIBRQUVRQR-FOCLMDBBSA-N	312.112	5.023	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	6347737	IPZMFXZLVZPRPU-NLWGTHIKSA-N	323.867	6.290	10	40	DKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	226789516	XHANKAZNFRYVRJ-IGCXYCKISA-N	316.231	5.820	10	40	DKCB	
CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C	55088	RQHKPFJXEPEIAI-UHFFFAOYSA-N	323.508	5.290	10	40	DKCB	
CCN(CC)c1ccc(/C=C(/C)c2nc3ccc(C)cc3[nH]2)cc1	4824581	UNUMDGCGPLBVCE-PEZBUJJGSA-N	319.452	5.278	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	409157874	WCLGOBBYSRQXNH-BWACUDIHSA-N	317.766	5.445	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	14551229	LWIDLNZVULCAGW-SUNYJGFJSA-N	316.231	5.820	10	40	DKCB	
Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1O	20004200	RTHJUTLKQOABLA-UHFFFAOYSA-N	316.615	5.273	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	20754645	NHXKVEZSMIDNDV-WSTZPKSXSA-N	307.412	5.776	10	40	DKCB	
Cc1ccc(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1C	33924644	AMBDSTHFHGWXMI-UDWIEESQSA-N	318.416	5.408	10	40	DKCB	
Cc1ccc(-c2cccc(Cl)c2)n1-c1ccc(C(C)C)cc1	199743924	MIKSUWZGFDAAFY-UHFFFAOYSA-N	309.840	6.230	10	40	DKCB	
Cc1ccc(/N=N/c2ccc(C)cc2-c2ccc(C)cc2)cc1	4794629	KZZQSTSNUVVLCT-GHVJWSGMSA-N	300.405	6.694	10	40	DKCB	
O=C(NCc1ccco1)Nc1ccc(/N=N\c2ccccc2)cc1	100481974	XBOKFHURBRUDMB-DQRAZIAOSA-N	320.352	5.017	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21	7099951	UPMWNZWNJOUAAA-PRXAMGSTSA-N	317.219	5.215	10	40	DKCB	
Cc1ccc2nc(-c3ccc(-n4c(C)ccc4C)cc3)sc2c1	59961057	FJZBKPYUBDRIRB-UHFFFAOYSA-N	318.445	5.679	10	40	DKCB	
O=[N+]([O-])c1ccc(N/N=N/c2ccc(Cl)cc2Cl)cc1	5002682	IOEKAJJNBMMZIN-UHFFFAOYSA-N	311.128	5.012	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	222367320	XQHNYSILRSSGJL-CKEIUWERSA-N	316.231	5.820	10	40	DKCB	
CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5011801	ZDJLOUQRTLSTOF-UHFFFAOYSA-N	312.416	6.084	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccn3)[C@@H]2C1	409157225	UZMKDLNVEZVTEA-YYDVJCTNSA-N	324.427	5.575	10	40	DKCB	
Clc1cccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1Cl	20711245	BDMZARFPSCMUOE-BVRBVLIYSA-N	316.231	5.820	10	40	DKCB	
COc1cccc(-n2c(C)ccc2-c2ccc(C(C)C)cc2)c1	199745244	WFMAFFLIOUWAJK-UHFFFAOYSA-N	305.421	5.585	10	40	DKCB	
CC(C)c1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1	3907425	NHGLOPAPKWAPAK-UHFFFAOYSA-N	321.468	5.527	10	40	DKCB	
Cc1ccc(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c(C)c1	409051442	ABUZCBWMQFTMON-XDHOZWIPSA-N	318.416	5.408	10	40	DKCB	
Cc1c(/N=N/c2ccc(O)c3ccccc23)cccc1[N+](=O)[O-]	4543521	CIZWSXSAWBXYNC-VHEBQXMUSA-N	307.309	5.177	10	40	DKCB	
Cc1ccc2c(c1C)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	226742597	SWGCHECEFGQYHP-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
CC(C)NCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	223789793	YTFQYTZCYQSJEJ-AWEZNQCLSA-N	322.924	5.339	10	40	DKCB	
Fc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)cc1	4697070	TWBBQIAAFARZGU-IPJJNNNSSA-N	315.391	5.805	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	6347621	CUCVWTAWCZXGRN-QKLQHJQFSA-N	307.412	5.776	10	40	DKCB	
CC(=O)N(Cl)c1ccc(/N=N/c2ccccc2)cc1Cl	18066383	ZJTWLMWQYOTWOD-ISLYRVAYSA-N	308.168	5.262	10	40	DKCB	
Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1ccc(Cl)cc1	100458974	FHICSSFIXANLNO-FCQUAONHSA-N	323.787	5.103	10	40	DKCB	
Cc1ccc(-c2ccc(C(F)(F)F)cc2)n1-c1ccccc1	199761185	IKYHGBKJJJXYEN-UHFFFAOYSA-N	301.311	5.472	10	40	DKCB	
Cc1ccc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C(C)C)cc1	199733705	IYHIVEAZJJJQEW-UHFFFAOYSA-N	320.392	5.484	10	40	DKCB	
COc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	4798376	VXUKQQSYGMETLM-DAYGRLMNSA-N	311.812	5.175	10	40	DKCB	
[O-]/[N+](=N\c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1	18258363	QFGVOMFBKKZUAC-AFQFZPALSA-N	302.337	6.028	10	40	DKCB	
Cc1ccc(Nc2c(-c3ccc(C)o3)nc3ccc(C)cn23)cc1	426769	XTZMHPTUHIVCJD-UHFFFAOYSA-N	317.392	5.263	10	40	DKCB	
FC(F)(F)c1cccc(/N=N\c2cccc(C(F)(F)F)c2)c1	100425741	ODNNWXKHVFFHEI-DQRAZIAOSA-N	318.220	6.140	10	40	DKCB	
CCc1ccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)cc1	228925680	MXAYXNNHTQZWIM-UHFFFAOYSA-N	304.437	5.081	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	229974376	XQHNYSILRSSGJL-KEYYUXOJSA-N	316.231	5.820	10	40	DKCB	
Cc1cc(O)c(/N=N\c2ccc(Br)cc2)cc1C	104186117	LABPTAJNLCODAN-MSUUIHNZSA-N	305.175	5.187	10	40	DKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21	58850640	HPYYTOXCCAQUFO-WQGACYEGSA-N	317.219	5.215	10	40	DKCB	
Cc1cc(/N=N/c2ccccc2)cc(C)c1NC(=O)C(F)(F)F	17949613	XSWZKBHVZIYAFR-QURGRASLSA-N	321.302	5.220	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754234	OJTCJPROFSYEKE-SPYBWZPUSA-N	313.803	5.614	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409153298	HORKIEPNKBNOBU-JTDSTZFVSA-N	313.803	5.614	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409165099	SKACCDVOSPLJSK-WJPUGNRLSA-N	307.412	5.776	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	20713016	WBJMYWXFTWWFOZ-SIFCLUCFSA-N	320.392	5.038	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226727925	HOJAULRVBXREFP-FUHIMQAGSA-N	309.840	5.783	10	40	DKCB	
CCc1cc(Br)c(O)c(/N=N/c2ccccc2)c1	100094615	AOWZWLUMBROUQX-WUKNDPDISA-N	305.175	5.133	10	40	DKCB	
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	5739832	LYTNCEBAQGOBEE-JTDSTZFVSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(-c2ccccc2Cl)n1-c1ccc(N(C)C)cc1	228926840	STUHWGRPXSYSCA-UHFFFAOYSA-N	310.828	5.172	10	40	DKCB	
Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	101147875	VFLNARZAHJYLBO-VKJFTORMSA-N	316.231	5.820	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700657	DOSJRSQHNFEDJR-XPIZARPCSA-N	323.867	6.290	10	40	DKCB	
Cc1ccc(C2=C/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1C	4852828	AMBDSTHFHGWXMI-NDENLUEZSA-N	318.416	5.408	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	6967095	OHSZGERTUVAVND-SQGPQFPESA-N	309.840	5.783	10	40	DKCB	
Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)s1	100530111	OGLXTLILXBPUFO-FMQUCBEESA-N	314.801	5.461	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226698403	UKASIYKPXFFKKK-SIFCLUCFSA-N	309.840	5.783	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	6944879	YUPCZRZMBJTOMB-YVWKXTFCSA-N	309.840	5.729	10	40	DKCB	
Cc1ccc(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)cc1	4852846	XJQOTHYBPQEGEI-CPNJWEJPSA-N	312.368	5.130	10	40	DKCB	
Clc1cccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)c1Cl	6816649	BDMZARFPSCMUOE-SUFBMKPHSA-N	316.231	5.820	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	409167682	JEYJJUFUNLAIKQ-NBQZKYEYSA-N	309.840	5.729	10	40	DKCB	
CC[n+]1c(-c2ccccc2)csc1Nc1ccc(Cl)cc1	1466309	IIMWCWIHAAURDI-UHFFFAOYSA-O	315.849	5.120	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	6324155	IMXRVLQQKVKXDZ-WFXMLNOXSA-N	321.439	5.950	10	40	DKCB	
CC(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	15226150	DPUDYIKUGWRWSL-WAOWUJCRSA-N	307.412	5.776	10	40	DKCB	
CCCCN1c2cc(F)c(CNCCC)cc2[C@@H](C)CC1(C)C	223788011	CPHJLJDIOPCYBI-HNNXBMFYSA-N	320.496	5.218	10	40	DKCB	
COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1	226909718	SXXGMVBRZILBOU-GJYPPUQNSA-N	311.812	5.175	10	40	DKCB	
CC(C)(C)c1ccc(N=[N+]([O-])c2ccc(C(C)(C)C)cc2)cc1	104363003	WFXAMPJSIJWEGH-UHFFFAOYSA-N	310.441	6.207	10	40	DKCB	
Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccc(F)cc3)n2c1	426775	FRTHTQXCQHMNPN-UHFFFAOYSA-N	321.355	5.094	10	40	DKCB	
Cc1cc2c(n1-c1ccc(Cl)c(Cl)c1)CC(C)(C)CC2=O	2512811	IWKWYDLQHNFZFK-UHFFFAOYSA-N	322.235	5.248	10	40	DKCB	
CCOc1ccccc1Nc1c2ccccc2nc2ccccc12	8042007	BILSDFNDCMMYJV-UHFFFAOYSA-N	314.388	5.530	10	40	DKCB	
Cc1cc(O)c(CN2CC=C(c3ccccc3)CC2)cc1C(C)C	7015775	JXHDMMIHYVVZBH-UHFFFAOYSA-N	321.464	5.113	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	20700206	NKNURLXYMJYPOI-AVYPCKFXSA-N	309.840	5.783	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	6935722	GTJITPKPHNVSGO-FRQCXROJSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	20700203	NKNURLXYMJYPOI-SIFCLUCFSA-N	309.840	5.783	10	40	DKCB	
Cc1cn(-c2c(C)c(C)c(-n3c(C)ccc3C)c(C)c2C)cc1C	1735381	LHFFDGLDZNJRKN-UHFFFAOYSA-N	320.480	5.735	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409156228	RHMGXYRVNYGREP-SPYBWZPUSA-N	313.803	5.614	10	40	DKCB	
CCc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C	17161662	VNMRCFIAIFZXRH-LUAWRHEFSA-N	302.421	5.034	10	40	DKCB	
S=C(SCc1ccccc1)c1ccc(Br)cc1	71256986	UEXHXZYJCMRBIB-UHFFFAOYSA-N	323.280	5.058	10	40	DKCB	
Oc1ccc(/N=N\c2ccc(Cl)cc2Cl)c2ccccc12	104393753	OAAQFIKDMGWZBY-VXPUYCOJSA-N	317.175	6.268	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	409159430	UBUKHAWFTWBBNT-SIFCLUCFSA-N	309.840	5.729	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	4140601	CWADRHVZNRIOQI-UWVAXJGDSA-N	323.823	5.369	10	40	DKCB	biogenic
Cc1cc(/N=N/c2ccc(O)c3ncccc23)c2ccccc2n1	18007512	HHUFIGIXDXFTET-GHVJWSGMSA-N	314.348	5.212	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2	58928636	CIDWPSXLRMFZJM-LQWHRVPQSA-N	303.405	5.024	10	40	DKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	4286131	IRSRESSVVBLOBE-LXIYXOSZSA-N	316.231	5.820	10	40	DKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21	4151338	MZSQUMXQODANFL-OZVIIMIRSA-N	317.219	5.215	10	40	DKCB	
CCN(CC)c1ccc(/C=C\c2nccc3ccccc23)cc1	19927778	MBAJFQZWOQXUNH-KAMYIIQDSA-N	302.421	5.251	10	40	DKCB	
CCCCCCc1cc(/N=N\c2nccs2)c(O)cc1O	104218255	JXWXHRNDQDRGGP-ZCXUNETKSA-N	305.403	5.093	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccn3)[C@H]2C1	409157213	UZMKDLNVEZVTEA-YDHSSHFGSA-N	324.427	5.575	10	40	DKCB	
NC(=O)N(c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1	68606520	FEFNRUPZZRTNCW-QURGRASLSA-N	316.364	5.319	10	40	DKCB	
COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	222210105	XDIOQVBBAOZSSL-SNUQEOBHSA-N	311.812	5.175	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21	4450135	ZPSCRYWKCOJMAB-DCGLDWPTSA-N	317.219	5.215	10	40	DKCB	
Cc1ccc(-c2ccc(/C=C3/C=C(CC(C)C)OC3=O)o2)cc1	2157943	GPCNZIINKZZLKJ-WJDWOHSUSA-N	308.377	5.125	10	40	DKCB	biogenic
Nc1cc(N)c(/N=N/c2ccccc2)cc1/N=N/c1ccccc1	3900069	KOFDPGKPYPNFMH-MBALSZOMSA-N	316.368	5.682	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	6935441	CXQHSXHICXNYAC-HLIPFELVSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700354	MRAQPGMHKRUYRP-SXGZJXTBSA-N	309.840	5.783	10	40	DKCB	
Cc1ccc(C)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	408736481	VVSLLIBOGVEZSU-GQIGUUNPSA-N	320.392	5.038	10	40	DKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NC1CCCCC1	6337779	NKZVELSBPKUXIE-GHVJWSGMSA-N	322.412	5.556	10	40	DKCB	
COc1cccc(-n2c(C)ccc2-c2ccc(F)c(Cl)c2)c1	199743713	KMFGZHVVOPBFII-UHFFFAOYSA-N	315.775	5.254	10	40	DKCB	
CC(C)c1cc(Br)c(O)c(/N=N/c2ccccc2)c1	100258876	BOFCCAUHSKBNMU-ISLYRVAYSA-N	319.202	5.694	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	113355201	FDJFLFGYECAVAV-SXGZJXTBSA-N	309.384	5.051	10	40	DKCB	
CN(C)c1ccc(/N=N/c2ccc(SC(F)F)cc2)cc1	5173025	KAXVWSDKJYSQDO-VHEBQXMUSA-N	307.369	5.483	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409175664	UGMHMXUVVMJVHA-TYILLQQXSA-N	309.384	5.051	10	40	DKCB	
CSc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1	409053200	YNQUJLCCEUBYFT-GZTJUZNOSA-N	322.429	5.007	10	40	DKCB	
COc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	20695072	SWPTWTQTFANCQQ-RVKKMQEKSA-N	311.812	5.175	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1	409153647	MAPBINSKWVMDFI-MDZRGWNJSA-N	309.840	5.729	10	40	DKCB	
CCCOc1ccc(-c2ccc(C)n2-c2cccc(OC)c2)cc1	199732849	ZEYNHNPZKNMEEN-UHFFFAOYSA-N	321.420	5.250	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	4854860	WVPZWEZBZSDHNJ-ZWOKBUDYSA-N	320.392	5.038	10	40	DKCB	
Clc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1Cl	36081341	LBRLMYJVCGIVCQ-YEWDVWPNSA-N	316.231	5.820	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20695349	IPZMFXZLVZPRPU-QWFCFKBJSA-N	323.867	6.290	10	40	DKCB	
Oc1ccc2ccccc2c1[C@@H](c1ccccc1)N1CCCCC1	1040903	RJMSVDFLOXQKOO-JOCHJYFZSA-N	317.432	5.121	10	40	DKCB	
CN(C)c1ccc(/C=C/c2c3ccccc3nc3ccccc23)cc1	36381072	TZBOQOLGQXXDBU-DTQAZKPQSA-N	324.427	5.624	10	40	DKCB	
CCCCN1c2cc(F)c(CNC(C)C)cc2[C@H](C)CC1(C)C	260714238	BSEDJUYUANQORF-OAHLLOKOSA-N	320.496	5.216	10	40	DKCB	
Cc1cc2nccc(/C=C/c3ccc(N(C)C)cc3)c2cc1C	1559786	PYIDCGUEJPNRCF-VMPITWQZSA-N	302.421	5.088	10	40	DKCB	
COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1	8168409	SXXGMVBRZILBOU-FCEWJHQRSA-N	311.812	5.175	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	20694902	CRGNLVSNOUXHRN-FUHIMQAGSA-N	309.840	5.783	10	40	DKCB	
Oc1ccc(/N=N/c2ccccc2)c(O)c1/N=N\c1ccccc1	100365015	XVTNUIZCUDPIOU-FHGBILNFSA-N	318.336	5.929	10	40	DKCB	
Nc1ccc(N=Nc2ccc(N=Nc3ccc(N)cc3)cc2)cc1	245239261	GYSBIUPPXQOLIQ-UHFFFAOYSA-N	316.368	5.682	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	226853044	XBTXGYVZFHOFCL-SIFCLUCFSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	8371335	RHMGXYRVNYGREP-QMTMVMCOSA-N	313.803	5.614	10	40	DKCB	
COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	226793781	XGIMCBCNSRHBOF-GJYPPUQNSA-N	311.812	5.175	10	40	DKCB	
Cc1ccc2nc3ccccc3c(Nc3ccc(Cl)cc3)c2c1	3899427	YSLUHKPWBLCVDX-UHFFFAOYSA-N	318.807	6.093	10	40	DKCB	
CCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCC)cc2)cc1	4698628	YRZFKJUPVCUDMX-VXPUYCOJSA-N	314.385	5.190	10	40	DKCB	
Cc1cc(/N=N\c2ccccc2)ccc1/N=N/c1ccccc1	100369107	MJRFLRVQFACVJO-KEEJTVGESA-N	300.365	6.826	10	40	DKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	227091305	IRSRESSVVBLOBE-VBHSOAQHSA-N	316.231	5.820	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21	4450146	JPZNMCAOCWWHDQ-DCGLDWPTSA-N	317.219	5.215	10	40	DKCB	
Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)o1	3906254	YPYNRVXPWYZMHI-UHFFFAOYSA-N	323.783	5.300	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	8336088	AZNQYEWHZRFQHG-FRQCXROJSA-N	313.803	5.614	10	40	DKCB	
O=Nc1ccc2ccccc2c1/N=N/c1ccccc1C(=O)O	5329247	NSUYBVWMAQVHSO-VHEBQXMUSA-N	305.293	5.351	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	6944847	JEYJJUFUNLAIKQ-IIMJZQEZSA-N	309.840	5.729	10	40	DKCB	
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	6792783	LYTNCEBAQGOBEE-MDZRGWNJSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	6967082	OHSZGERTUVAVND-ABSDTBQOSA-N	309.840	5.783	10	40	DKCB	
O=C1OC(c2cccs2)=C/C1=C\c1ccc(Cl)cc1Cl	409050955	FGZVDXSIDYHLBI-UXBLZVDNSA-N	323.200	5.036	10	40	DKCB	
CC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	29472827	IKSDUCAEKHIKST-UHFFFAOYSA-N	312.372	5.334	10	40	DKCB	
Cc1ccc(-c2ccc(C(=S)N3CCCCC3)o2)cc1Cl	8843396	NKJJRHUJEGIYRW-UHFFFAOYSA-N	319.857	5.070	10	40	DKCB	
C1=C[C@H]2c3ccccc3N[C@@H](c3ccc4c5c(cccc35)CC4)[C@H]2C1	36081043	MMQUPSOTNHLWRP-GERBCZOESA-N	323.439	5.765	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409161895	ZXTWQGLYGLNCAT-ZRGWGRIASA-N	313.803	5.614	10	40	DKCB	
Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(F)cc1	6961686	WIDOIBOIUGRBDY-UHFFFAOYSA-N	322.408	5.510	10	40	DKCB	
Cc1ccccc1/N=N/c1ccc(-c2ccccc2C)cc1C	65748874	CMQRSIYKDDCEFW-GHVJWSGMSA-N	300.405	6.694	10	40	DKCB	in-vitro
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccccc1	6528996	QBAKKCCUXREANC-RCCKNPSSSA-N	324.379	5.335	10	40	DKCB	
Clc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)c1Cl	6816646	BDMZARFPSCMUOE-WHWRDJHUSA-N	316.231	5.820	10	40	DKCB	
CN(C)c1ccc(/C=C/c2nc3ccccc3s2)c(Cl)c1	19927782	ZMMKCFADIUYHHW-CSKARUKUSA-N	314.841	5.186	10	40	DKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	229968510	IRSRESSVVBLOBE-SNUQEOBHSA-N	316.231	5.820	10	40	DKCB	
Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	29115	VFLNARZAHJYLBO-DAYGRLMNSA-N	316.231	5.820	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226698413	UKASIYKPXFFKKK-SXGZJXTBSA-N	309.840	5.783	10	40	DKCB	
Cc1cccc(/N=N/c2c(-c3ccc(Cl)cc3)n[nH]c2N)c1	100614763	FXUIZJWYJHWRES-XUTLUUPISA-N	311.776	5.036	10	40	DKCB	
COc1ccccc1Nc1c2ccccc2nc2ccccc12	6663983	BTEWJCAHJQYSKV-UHFFFAOYSA-N	300.361	5.140	10	40	DKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	4286128	IRSRESSVVBLOBE-JCGVRSQUSA-N	316.231	5.820	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	409162238	YUPCZRZMBJTOMB-XKGZKEIXSA-N	309.840	5.729	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccccn3)[C@H]2C1	7097171	UZMKDLNVEZVTEA-SFYKDHMMSA-N	324.427	5.575	10	40	DKCB	
CSc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1	409052794	MFVUGBHNDIEPOS-LFIBNONCSA-N	322.429	5.007	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1	409153642	MAPBINSKWVMDFI-GJYPPUQNSA-N	309.840	5.729	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	409167392	IMXRVLQQKVKXDZ-LQWHRVPQSA-N	321.439	5.950	10	40	DKCB	
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C/c1ccccc1	4673162	QBAKKCCUXREANC-QNGOZBTKSA-N	324.379	5.335	10	40	DKCB	
Clc1ccc(NCc2ccc(N3CCCC3)cc2)c(Cl)c1	35018442	YONZNRKPFKNCNE-UHFFFAOYSA-N	321.251	5.206	10	40	DKCB	
Cc1cc(/N=N\c2ccccc2)cc(C)c1NC(=O)C(F)(F)F	102873351	XSWZKBHVZIYAFR-DQRAZIAOSA-N	321.302	5.220	10	40	DKCB	
Cc1ccc(-c2cccc(Br)c2)n1-c1ccccc1	228977916	ZJWLDQLXXHRKAS-UHFFFAOYSA-N	312.210	5.215	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409151257	ATTHANDYODXBJK-NQCMUKECSA-N	313.803	5.614	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	6347699	IPZMFXZLVZPRPU-CMKODMSKSA-N	323.867	6.290	10	40	DKCB	
Nc1ccc2c(c1)/C(=C\c1ccc(Cl)cc1)c1ccccc1-2	104335111	MJESGBIGGKRXCT-ODLFYWEKSA-N	303.792	5.492	10	40	DKCB	
Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccccc1	199744916	GBGPAZMOZYJIJG-UHFFFAOYSA-N	312.756	5.014	10	40	DKCB	
Cc1cccc2nc(-c3ccco3)c(Nc3cccc(Cl)c3)n12	35616119	PGADNOSNYQJWCM-UHFFFAOYSA-N	323.783	5.300	10	40	DKCB	
CN(C)c1ccc(/C=C/c2ccnc3ccc4ccccc4c23)cc1	6375046	IKCVQOAMABCPCU-JXMROGBWSA-N	324.427	5.624	10	40	DKCB	
Cc1ccc2nc(/C=C\c3ccc(N(C)C)cc3)cc(C)c2c1	8581459	UUOAUBAEXRHSQV-TWGQIWQCSA-N	302.421	5.088	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21	20713174	HNDNTUDGYBSZFV-SXGZJXTBSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	20699384	NFXOBVALQHSIQZ-FUHIMQAGSA-N	309.840	5.783	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6935734	PDENWUUQGOAAJI-FRQCXROJSA-N	309.384	5.051	10	40	DKCB	
CN(C)c1ccc(/C=C\c2ccnc3ccccc23)c(Cl)c1	16975208	UKXUQCYEPXKAIP-FPLPWBNLSA-N	308.812	5.125	10	40	DKCB	
O=Cc1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1	226024382	VKMHYESHFYCZLJ-UHFFFAOYSA-N	315.844	5.125	10	40	DKCB	
FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21	409161216	ZLGXOPHOZZMESM-XAYKYTGQSA-N	315.338	5.532	10	40	DKCB	
Oc1c([C@@H](c2ccccc2)N2CCCCC2)ccc2ccccc12	1754415	BHQMZYFPNOMHJJ-OAQYLSRUSA-N	317.432	5.121	10	40	DKCB	
Cc1ccc(C)n1-c1cccc2c(-n3c(C)ccc3C)cccc12	977548	OTQAHZUKBIGBMU-UHFFFAOYSA-N	314.432	5.655	10	40	DKCB	
CC(=O)N(Cl)c1ccc(/N=N\c2ccccc2)cc1Cl	104394933	ZJTWLMWQYOTWOD-ZCXUNETKSA-N	308.168	5.262	10	40	DKCB	
C1=C[C@@H]2c3cccc(-c4ccccc4)c3N[C@@H](c3ccccc3)[C@@H]2C1	7097756	BREOEHWEQZXVMP-XJUOHMSHSA-N	323.439	6.180	10	40	DKCB	
Oc1ccc2ccccc2c1Cn1c2ccccc2c2ccccc21	226757904	IVQSXSHKVYDNNW-UHFFFAOYSA-N	323.395	5.702	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	20694905	CRGNLVSNOUXHRN-ABSDTBQOSA-N	309.840	5.783	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21	20713019	WBJMYWXFTWWFOZ-SXGZJXTBSA-N	320.392	5.038	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409154827	PDENWUUQGOAAJI-JTDSTZFVSA-N	309.384	5.051	10	40	DKCB	
Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@@H]21	4117444	AYIPFKKBJMBCJJ-PNLZDCPESA-N	315.391	5.805	10	40	DKCB	
CCSc1ncc(-c2ccc(C)cc2)n1Cc1ccccc1	44085427	QUZUZIWKHRLTKP-UHFFFAOYSA-N	308.450	5.019	10	40	DKCB	
FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	409159015	YROTUSFYXHPANM-VKJFTORMSA-N	315.338	5.532	10	40	DKCB	
O=C1c2ccccc2[C@H]2[C@@H]3CC=C[C@@H]3c3c(ccc4ccccc34)N12	1019236	OQDRJPLQLNJEPD-GSHUGGBRSA-N	323.395	5.215	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21	4624373	ZPSCRYWKCOJMAB-IIYDPXPESA-N	317.219	5.215	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1	409159651	VZKRWALCHFVEAE-MDZRGWNJSA-N	311.375	5.354	10	40	DKCB	
CCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1	100499973	LNVGWTAEHWXAJS-CJCAPXLESA-N	321.424	5.867	10	40	DKCB	
CCc1cc(/C=C/c2ccnc3ccccc23)ccc1N(C)C	6371683	VNMRCFIAIFZXRH-PKNBQFBNSA-N	302.421	5.034	10	40	DKCB	
COc1cccc(-n2c(C)ccc2-c2ccc(SC)cc2)c1	199732795	HWYRUUXJACCALF-UHFFFAOYSA-N	309.434	5.183	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409156036	SSKCDDGPIKWCLM-QWFCFKBJSA-N	307.412	5.776	10	40	DKCB	
Cc1ccc(C)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2150010	KUDHKDYSHKOCTC-UHFFFAOYSA-N	307.237	5.132	10	40	DKCB	
Cc1ccc(Nc2c(-c3ccc(C)o3)nc3cccc(C)n23)cc1	426762	SUZJBYPBNCDHIM-UHFFFAOYSA-N	317.392	5.263	10	40	DKCB	
CCN(CC)c1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1	216878299	PBXVQNDPDZXBQF-UHFFFAOYSA-N	308.425	5.464	10	40	DKCB	
Cc1cc(/N=N\c2ccc(O)c3ncccc23)c2ccccc2n1	104069177	HHUFIGIXDXFTET-FCQUAONHSA-N	314.348	5.212	10	40	DKCB	
Cc1ccc(-c2ccccc2C(F)(F)F)n1-c1ccccc1	199761051	VFRJUHDFLGMITK-UHFFFAOYSA-N	301.311	5.472	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	226853051	XBTXGYVZFHOFCL-SXGZJXTBSA-N	320.392	5.038	10	40	DKCB	
CCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1	3848682	ISZPOYJCQDYMQS-GHVJWSGMSA-N	324.468	7.014	10	40	DKCB	
CCc1cnc2ccccc2c1/C=C/c1ccc(N(C)C)cc1	13220386	NVVMJAGGRDWGEJ-SDNWHVSQSA-N	302.421	5.034	10	40	DKCB	
Clc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1	226727350	WWKVOTGAULILET-VKJFTORMSA-N	316.231	5.820	10	40	DKCB	
COc1ccccc1-c1ccc(C)n1-c1ccc(C(C)C)cc1	199733606	XFEFZXWRBPMSRH-UHFFFAOYSA-N	305.421	5.585	10	40	DKCB	
Cc1cc(C)c2nccc(/C=C/c3ccc(N(C)C)cc3)c2c1	13208827	IBHYYZVZCOADBR-VMPITWQZSA-N	302.421	5.088	10	40	DKCB	
Cc1ccc(/N=N\c2c(C)nc(N)nc2-c2ccccc2)c(C)c1	16951217	UOPBPDBRMYKUAC-VHXPQNKSSA-N	317.396	5.066	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	409159647	VZKRWALCHFVEAE-GJYPPUQNSA-N	311.375	5.354	10	40	DKCB	
Cc1ccc(/N=N\c2cnc(N)nc2-c2ccc(Cl)cc2)cc1	100138608	JQMIMILUAPDKHH-FCQUAONHSA-N	323.787	5.103	10	40	DKCB	
CCCCN1c2cc(Cl)c(CNCC)cc2[C@@H](C)CC1(C)C	223785492	HHSMARGNQCXINE-AWEZNQCLSA-N	322.924	5.342	10	40	DKCB	
CC(C)(C)n1cnc2cc(NCc3ccccc3Cl)ccc21	3907430	YHYKLBKNEWNXNZ-UHFFFAOYSA-N	313.832	5.057	10	40	DKCB	
Cc1cc(/N=N\c2ccc(/N=N\c3ccccc3)cc2)ccc1O	100108665	VGKYEIFFSOPYEW-DNKSKCFASA-N	316.364	6.531	10	40	DKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(F)cc1	4031937	CQPMCXOPRPHIJF-GHVJWSGMSA-N	319.339	5.493	10	40	DKCB	
Oc1ccc(/N=N/c2nc3ccccc3s2)c(Cl)c1Cl	16545369	NHBCBOPUNHPAHX-ISLYRVAYSA-N	324.192	5.724	10	40	DKCB	
Cc1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc1	408723160	QXVZCCJXOQMQFS-AQTBWJFISA-N	312.368	5.130	10	40	DKCB	
CCN(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1	1673086	RHVPFAMWEKAIHJ-FMIVXFBMSA-N	302.421	5.251	10	40	DKCB	
Cc1cc(/N=N/c2ccccc2)ccc1/N=N/c1ccccc1	13402815	MJRFLRVQFACVJO-DQPVQCHKSA-N	300.365	6.826	10	40	DKCB	
Oc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCCCC1	1040902	RJMSVDFLOXQKOO-QFIPXVFZSA-N	317.432	5.121	10	40	DKCB	
CC[C@@H](c1ccc(N(C)C)cc1)N(CC)c1ccc(Cl)cc1	2035253	WUWPPIKHYLJYJG-IBGZPJMESA-N	316.876	5.384	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	4854862	WVPZWEZBZSDHNJ-QKLQHJQFSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	6966454	YFSOVUIHAGTWCR-QKLQHJQFSA-N	320.392	5.038	10	40	DKCB	
Nc1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2)s1	16926496	GRZDTFWCZUZSSY-FMQUCBEESA-N	314.801	5.461	10	40	DKCB	
CCCCn1cnc2cc(NCc3ccccc3Cl)ccc21	3907429	GLJSSPYTOFRPIJ-UHFFFAOYSA-N	313.832	5.102	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	96006166	JZCSOTOURUSUHI-STXHMFSFSA-N	309.840	5.783	10	40	DKCB	
CCCCC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	1632441	ZZAFVGWDGGVRQK-UHFFFAOYSA-N	310.485	5.141	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	409170266	VAPCFQIYHPQMMS-FUHIMQAGSA-N	309.840	5.729	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	4798361	QRRCLHGSZFNJEH-QKLQHJQFSA-N	323.823	5.369	10	40	DKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	4286132	IRSRESSVVBLOBE-ZJNRKIDTSA-N	316.231	5.820	10	40	DKCB	
Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C(C)C)cc1	199733800	XLJAMDJHXXHYAG-UHFFFAOYSA-N	320.392	5.484	10	40	DKCB	
Cc1ccc2c(/C=C/c3ccc(N(C)C)cc3)ccnc2c1C	13221216	MTVYPMDBRRFFBP-RMKNXTFCSA-N	302.421	5.088	10	40	DKCB	
FC(F)(F)c1cccc(/N=N/c2cccc(C(F)(F)F)c2)c1	18166009	ODNNWXKHVFFHEI-QURGRASLSA-N	318.220	6.140	10	40	DKCB	
Cc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1C1CC1	70453982	WLTLVMWTHIYQOK-UHFFFAOYSA-N	303.409	5.129	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	229974368	XQHNYSILRSSGJL-CPUCHLNUSA-N	316.231	5.820	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	4456007	UTZIFQWZQXYWPZ-ABSDTBQOSA-N	320.392	5.038	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	8336075	NOPKYSZEJAMBCH-NJSLBKSFSA-N	313.803	5.614	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	6962752	XBTXGYVZFHOFCL-STXHMFSFSA-N	320.392	5.038	10	40	DKCB	
CCCN1c2cc(Cl)c(CNC(C)C)cc2[C@H](C)CC1(C)C	260719803	MYVADJUTNZWAMD-CQSZACIVSA-N	322.924	5.340	10	40	DKCB	
COc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	6954842	SWPTWTQTFANCQQ-HDMKZQKVSA-N	311.812	5.175	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1	8087431	VZKRWALCHFVEAE-BXWFABGCSA-N	311.375	5.354	10	40	DKCB	
O=[N+](Nc1ccccc1)c1ccc(N=Nc2ccccc2)cc1	368119781	ZRIXIGWEFBWFPY-UHFFFAOYSA-N	303.345	5.540	10	40	DKCB	
CN(C)Cc1cc(/N=N/c2c(Cl)cccc2Cl)ccc1O	6005896	BDUAUGFOKGYKLY-VHEBQXMUSA-N	324.211	5.176	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	20700212	NKNURLXYMJYPOI-MDOVXXIYSA-N	309.840	5.783	10	40	DKCB	
CN(C)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1	216878818	DIOMWGGUTIKKSM-UHFFFAOYSA-N	314.388	5.228	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21	4450134	ZPSCRYWKCOJMAB-GDZNZVCISA-N	317.219	5.215	10	40	DKCB	
c1ccc(-n2c3c(c4ccccc42)CCc2sccc2-3)cc1	3264109	JYHCPVRFNNLUGV-UHFFFAOYSA-N	301.414	5.458	10	40	DKCB	
Cc1ccc(/N=N/c2cc(C)cc(Br)c2O)c(C)c1	4657155	QLDZOQLWDKMLPP-ISLYRVAYSA-N	319.202	5.495	10	40	DKCB	
CC[n+]1c(-c2ccccc2)csc1Nc1c(C)cc(C)cc1C	26570151	DBNZCUOVFNQCAT-UHFFFAOYSA-O	323.485	5.391	10	40	DKCB	
S=C1C(c2ccccc2)=C(Nc2ccccc2)c2ccccc21	4714747	AHWWGYISOFHUDI-UHFFFAOYSA-N	313.425	5.399	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	409157959	XASMXLMMUSPAQT-ZWOKBUDYSA-N	309.840	5.783	10	40	DKCB	
CC(C)[C@H](N[C@@H](C)c1ccccc1)c1c(O)ccc2ccccc12	2184556	AJVDHIAZMGCWGJ-AOMKIAJQSA-N	319.448	5.593	10	40	DKCB	
CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)N1	86102	NQIGBASDJIFWRK-UHFFFAOYSA-N	323.484	5.151	10	40	DKCB	in-vitro
Cc1cc(Cl)cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	8336064	HORKIEPNKBNOBU-TXPKVOOTSA-N	313.803	5.614	10	40	DKCB	
C1=C[C@@H]2c3cccc(-c4ccccc4)c3N[C@H](c3ccccc3)[C@H]2C1	7097450	BREOEHWEQZXVMP-QNWVGRARSA-N	323.439	6.180	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	4321349	FIZHZANIWBCRQK-BXTJHSDWSA-N	323.823	5.369	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409154330	NOPKYSZEJAMBCH-TYILLQQXSA-N	313.803	5.614	10	40	DKCB	
CCCCCCc1cc(/N=N/c2nccs2)c(O)cc1O	4578938	JXWXHRNDQDRGGP-ISLYRVAYSA-N	305.403	5.093	10	40	DKCB	
CCCCN1c2ccc(CNC(C)C)cc2[C@@H](C)CC1(C)C	223788942	GPYPCKXYQJMQJQ-INIZCTEOSA-N	302.506	5.077	10	40	DKCB	
O=C(COc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1	18020828	HKASRYINDYHBTQ-QURGRASLSA-N	316.360	5.364	10	40	DKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	1053922	MZSQUMXQODANFL-WQGACYEGSA-N	317.219	5.215	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6347752	SKACCDVOSPLJSK-CEQIKUNHSA-N	307.412	5.776	10	40	DKCB	
CCN(CC)c1ccc(/N=N/c2ccc3ccccc3c2)cc1	96180965	XGOWBHULGQSJDL-QURGRASLSA-N	303.409	6.101	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1	226658075	NAFOQABYLUARAA-URVUXULASA-N	311.428	5.975	10	40	DKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	4286130	IRSRESSVVBLOBE-VEVIJQCQSA-N	316.231	5.820	10	40	DKCB	
CC(C(=S)c1ccccc1)=C1S[C@@H]2CCCC[C@H]2S1	18194182	SWSJLUIYCQWUEP-ZIAGYGMSSA-N	306.521	5.427	10	40	DKCB	
FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21	7092984	ZLGXOPHOZZMESM-RVZJWNSFSA-N	315.338	5.532	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	409157883	WCLGOBBYSRQXNH-PSTGCABASA-N	317.766	5.445	10	40	DKCB	
CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)[C@H](O)C1	2294443	CJMXNPTWAKQWJM-OAQYLSRUSA-N	317.432	5.150	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1	8087385	VZKRWALCHFVEAE-FCEWJHQRSA-N	311.375	5.354	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	409157887	WCLGOBBYSRQXNH-QFSBIZTOSA-N	317.766	5.445	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	20692027	YFSOVUIHAGTWCR-HLIPFELVSA-N	320.392	5.038	10	40	DKCB	
CCN(CC)c1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1	16678516	ULWJZUJIVQSWSQ-QURGRASLSA-N	324.472	5.794	10	40	DKCB	
CCCNCc1cc2c(cc1Cl)N(CCC)C(C)(C)C=C2C	223802204	DNMPPTKCIPXZOK-UHFFFAOYSA-N	320.908	5.252	10	40	DKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21	58850656	ONQCPZKKJDMXPA-OHUAYANFSA-N	317.219	5.215	10	40	DKCB	
C=C(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1	1691558	BVIJGTIEFJIXHX-UHFFFAOYSA-N	322.496	5.441	10	40	DKCB	
Cc1cc(O)c(CN2CCC[C@@H]2c2cccs2)cc1C(C)C	14077893	PTVIFJDAPFMSHH-QGZVFWFLSA-N	315.482	5.223	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1	226706703	ACZMDPFWEBBCBK-UWVAXJGDSA-N	323.867	6.290	10	40	DKCB	
Cc1ccc2c(/C=C\c3ccc(N(C)C)cc3)ccnc2c1C	17062569	MTVYPMDBRRFFBP-TWGQIWQCSA-N	302.421	5.088	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	409162025	CAPKRWWBGAWSLZ-KEYYUXOJSA-N	317.766	5.445	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20694908	CRGNLVSNOUXHRN-MBOZVWFJSA-N	309.840	5.783	10	40	DKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	250499237	DACJKOIEGGYOQY-LZNRXBQRSA-N	315.391	5.805	10	40	DKCB	
Cc1ccc(C)n1-c1ccc(Oc2cccc3ccccc23)cc1	7468523	WJVSQHBCFFOGMH-UHFFFAOYSA-N	313.400	6.040	10	40	DKCB	
CC(C(=S)c1ccccc1)=C1S[C@H]2CCCC[C@@H]2S1	18194180	SWSJLUIYCQWUEP-KBPBESRZSA-N	306.521	5.427	10	40	DKCB	
FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	147354880	YROTUSFYXHPANM-IIDMSEBBSA-N	315.338	5.532	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	6935403	CXQHSXHICXNYAC-UWVAXJGDSA-N	309.384	5.051	10	40	DKCB	
CN(C)Cc1cc(/N=N\c2ccc(Cl)c(Cl)c2)ccc1O	104312745	OJWIYISCKKCUHB-HNENSFHCSA-N	324.211	5.176	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	20699393	NFXOBVALQHSIQZ-SQGPQFPESA-N	309.840	5.783	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21	4450144	JPZNMCAOCWWHDQ-AHIWAGSCSA-N	317.219	5.215	10	40	DKCB	
Cc1cc(C)c2nccc(/C=C\c3ccc(N(C)C)cc3)c2c1	17062567	IBHYYZVZCOADBR-YVMONPNESA-N	302.421	5.088	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	4456009	UTZIFQWZQXYWPZ-SQGPQFPESA-N	320.392	5.038	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	6347692	NHXKVEZSMIDNDV-CMKODMSKSA-N	307.412	5.776	10	40	DKCB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](N=[N+]=[N-])CC[C@@]43C)[C@@H]1CCC2=O	118918784	WRRHJVBXSKFWKX-HLUDHZFRSA-N	315.461	5.277	10	40	DKCB	
CCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	260714696	DYKFZHDVBNYCHK-CQSZACIVSA-N	322.924	5.340	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	8336058	AZNQYEWHZRFQHG-TXPKVOOTSA-N	313.803	5.614	10	40	DKCB	
COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1	8168474	XZYWAYCGNIDIAL-MPGHIAIKSA-N	311.812	5.175	10	40	DKCB	
Brc1ccc(/N=N/c2ccc3ccccc3n2)cc1	18043993	JHSZMQCXWKUICJ-VHEBQXMUSA-N	312.170	5.413	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	226713860	CUCVWTAWCZXGRN-UWVAXJGDSA-N	307.412	5.776	10	40	DKCB	
O=C(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1	96191704	IQLSXDDZUJDDSP-QURGRASLSA-N	317.348	5.544	10	40	DKCB	
CN(C)c1ccc(/C=C/c2ccnc3ccccc23)c(Cl)c1	1555645	UKXUQCYEPXKAIP-BQYQJAHWSA-N	308.812	5.125	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	6347751	DOSJRSQHNFEDJR-CEQIKUNHSA-N	323.867	6.290	10	40	DKCB	
Cc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	14471634	ZNODQSMUZABHFR-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
c1ccc(/N=N/C2=NN(c3ccccc3)[C@@H]3[C@@H]4CC[C@H](C4)[C@@H]23)cc1	103750867	LNNKPMHPCSEURD-KPMWSRDKSA-N	316.408	5.019	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	226661995	YFSOVUIHAGTWCR-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)cc(C)c2c1	16968426	UUOAUBAEXRHSQV-RMKNXTFCSA-N	302.421	5.088	10	40	DKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	1022083	IRSRESSVVBLOBE-FHSNZYRGSA-N	316.231	5.820	10	40	DKCB	
CN(C)Cc1cc(Cc2ccccc2)cc(C2CCCCC2)c1O	1592132	LZQLEUJFVOTLFN-UHFFFAOYSA-N	323.480	5.092	10	40	DKCB	
Oc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1	18060107	RTZYVAQWQXPIAC-DKHHWMATSA-N	302.337	6.223	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	409152199	DNMMTYDBWACNTL-KEYYUXOJSA-N	317.766	5.445	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	6727249	JZCSOTOURUSUHI-QEEYODRMSA-N	309.840	5.783	10	40	DKCB	
Oc1ccc(/N=N\c2ccccc2)c(O)c1/N=N/c1ccccc1	100365017	XVTNUIZCUDPIOU-OLAQIDGISA-N	318.336	5.929	10	40	DKCB	
CCCCN1c2cc(C)c(CNCCC)cc2C(C)=CC1(C)C	223801943	CGAYZDZJSDYLDI-UHFFFAOYSA-N	314.517	5.297	10	40	DKCB	
Cc1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	4456008	UTZIFQWZQXYWPZ-ZWOKBUDYSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1	254861054	ZLFVRXUOSPRRKQ-UHFFFAOYSA-N	307.309	5.177	10	40	DKCB	
CCCN1c2cc(Cl)c(CNC(C)C)cc2C(C)=CC1(C)C	223822289	BIBGQFPAXMSVAX-UHFFFAOYSA-N	320.908	5.250	10	40	DKCB	
Nc1ccc(/N=N\c2ccc(/N=N\c3ccc(N)cc3)cc2)cc1	100368359	GYSBIUPPXQOLIQ-SXAUZNKPSA-N	316.368	5.682	10	40	DKCB	
Oc1c(O)c(-c2ccccc2)c2ccccc2c1-c1ccccc1	1632934	HWBXVPDFPGNZEY-UHFFFAOYSA-N	312.368	5.585	10	40	DKCB	
CCCC[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1	100499977	LNVGWTAEHWXAJS-OBESFDLISA-N	321.424	5.867	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	6967102	MRAQPGMHKRUYRP-MDOVXXIYSA-N	309.840	5.783	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	8371302	RHMGXYRVNYGREP-YZVOILCLSA-N	313.803	5.614	10	40	DKCB	
C[C@H](c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	13129689	ONHVVOSCJXMICX-QGZVFWFLSA-N	324.427	5.896	10	40	DKCB	
Clc1cccc(Cl)c1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21	14546514	QTLGMOXKBPXFKR-RRUGBERISA-N	316.231	5.820	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	6347728	BWVZHUQQERTSPC-NLWGTHIKSA-N	323.867	6.290	10	40	DKCB	
COc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	409163231	NWTGYPAYRDSASF-QWQRMKEZSA-N	311.812	5.175	10	40	DKCB	
O=C1c2ccccc2[C@H]2[C@H]3CC=C[C@@H]3c3c(ccc4ccccc34)N12	11859512	OQDRJPLQLNJEPD-PNLZDCPESA-N	323.395	5.215	10	40	DKCB	
CC(C)Oc1ccccc1C1Nc2cccc3cccc(c23)N1	70453933	AROMBIVKNDBRFS-UHFFFAOYSA-N	304.393	5.163	10	40	DKCB	
Cc1ccc(C)n1-c1c(Cl)cc(Cl)cc1C(F)(F)F	165651	XXEPZQWDHYRSFU-UHFFFAOYSA-N	308.130	5.420	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	409166188	CXQHSXHICXNYAC-MBOZVWFJSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	70376	UTZIFQWZQXYWPZ-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	6347730	NHXKVEZSMIDNDV-NLWGTHIKSA-N	307.412	5.776	10	40	DKCB	
Cc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	408737108	JIBSQIZMFPRWCT-HARLFGEKSA-N	311.428	5.975	10	40	DKCB	
O=C(Cc1cccs1)Nc1ccc(/N=N/c2ccccc2)cc1	5680955	UXWVKTYIAHWIAW-QZQOTICOSA-N	321.405	5.345	10	40	DKCB	
Cc1cc(/N=N/c2ccccc2)c(O)c(Br)c1C	100052141	AOSREBFVMBEUMZ-WUKNDPDISA-N	305.175	5.187	10	40	DKCB	
Clc1ccccc1Nc1c2ccccc2nc2ccccc12	3892252	JWJNRFPYXGTVPU-UHFFFAOYSA-N	304.780	5.785	10	40	DKCB	
Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21	409330905	CPMDIUVOBJWNFV-UMSGYPCISA-N	318.247	5.146	10	40	DKCB	
Cc1ccc(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	8413279	JUVBCGNWBRXIFH-UHFFFAOYSA-N	305.465	5.562	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20757565	LWIDLNZVULCAGW-HBUWYVDXSA-N	316.231	5.820	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	6944034	VAPCFQIYHPQMMS-HLIPFELVSA-N	309.840	5.729	10	40	DKCB	
Oc1ccc(/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	96191714	SDRACVHZCLSTIC-GHVJWSGMSA-N	314.348	5.351	10	40	DKCB	
Cc1ccc(C2=NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1	3035453	VTFHBXGEOPIHPJ-PDGQHHTCSA-N	321.445	5.180	10	40	DKCB	
CC(C)c1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1	3664707	UMDQVVUORLXSFF-BOPFTXTBSA-N	324.807	5.445	10	40	DKCB	
Cc1ccc(-c2cccc(OC(F)(F)F)c2)n1-c1ccccc1	199761075	PPOSMXAJIHBLOJ-UHFFFAOYSA-N	317.310	5.351	10	40	DKCB	
CCn1c(C)csc1=Nc1ccc(/N=N\c2ccccc2)cc1	584905937	SFTCEKYJYPUVRO-WVJFTHLGSA-N	322.437	5.526	10	40	DKCB	
CCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1	3848681	JWLYWGLGUDWDNX-QURGRASLSA-N	310.441	6.624	10	40	DKCB	
CC1(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCCCC1	4462447	YUQHPIRTIAJKRF-GHVJWSGMSA-N	321.424	6.011	10	40	DKCB	
CSc1ccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)cc1	228931884	LGZIKCHLMQBGLM-UHFFFAOYSA-N	322.477	5.241	10	40	DKCB	
CCc1ccc(CC)c(C(=O)C(=O)c2cc(CC)ccc2CC)c1	1711009	JZKYERVTVNNHOK-UHFFFAOYSA-N	322.448	5.002	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	1029330	XQHNYSILRSSGJL-JKIFEVAISA-N	316.231	5.820	10	40	DKCB	
CCc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	8087436	SIVIJIPBCUYGSS-ZWOKBUDYSA-N	309.840	5.729	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14464813	LVJLTYQMHQQDTA-UWVAXJGDSA-N	309.840	5.783	10	40	DKCB	
COc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]21	226892119	KKBJETRIQVLCCK-BIENJYKASA-N	311.812	5.175	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	6962723	UKASIYKPXFFKKK-QEEYODRMSA-N	309.840	5.783	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	8276586	ZXTWQGLYGLNCAT-YZVOILCLSA-N	313.803	5.614	10	40	DKCB	
CCN(CC)c1ccc(CNc2cc(C)nc3ccccc23)cc1	1729640	BJOMRYYBSOHJLR-UHFFFAOYSA-N	319.452	5.002	10	40	DKCB	
CCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C=C2C	223802291	SJSZXXBKZIPIQF-UHFFFAOYSA-N	320.908	5.250	10	40	DKCB	
Clc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1	226678400	FYRNPTMFZDJZBS-KEYYUXOJSA-N	316.231	5.820	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6347739	SSKCDDGPIKWCLM-NLWGTHIKSA-N	307.412	5.776	10	40	DKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(F)cccc1Cl)N2	58850574	SWCCNBVTLYVQBV-QHRIQVFBSA-N	313.803	5.614	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	6966462	YFSOVUIHAGTWCR-ZWOKBUDYSA-N	320.392	5.038	10	40	DKCB	
Oc1ccc(-c2ccccc2)cc1/N=N/c1ccccc1Cl	4657156	JHJGNDGNHUONCT-QZQOTICOSA-N	308.768	6.128	10	40	DKCB	
[O-][N+](=Nc1ccccc1)c1ccc(N=Nc2ccccc2)cc1	245240575	QFGVOMFBKKZUAC-UHFFFAOYSA-N	302.337	6.028	10	40	DKCB	
Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]21	4117446	AYIPFKKBJMBCJJ-DRSNIGMVSA-N	315.391	5.805	10	40	DKCB	
FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21	7093216	ZLGXOPHOZZMESM-UVBSCNOISA-N	315.338	5.532	10	40	DKCB	
Clc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21	226702461	KEMUYCRFTPBTPO-BWACUDIHSA-N	316.231	5.820	10	40	DKCB	
Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1	199744817	SUPZVUJJEJCVNH-UHFFFAOYSA-N	312.210	5.215	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	20713022	YYRYWXFTXGYUBN-SIFCLUCFSA-N	320.392	5.038	10	40	DKCB	
c1ccc2c(c1)c1ccccc1c1c3c4c(ccc[n+]4cc21)CCC3	1019606	DMFACUUVTDZOMP-UHFFFAOYSA-N	320.415	5.374	10	40	DKCB	
Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)o1	3909758	MSADVJKQCRMYCP-UHFFFAOYSA-N	317.392	5.263	10	40	DKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21	5800807	RVLGEBUGZCHUPY-OHUAYANFSA-N	317.219	5.215	10	40	DKCB	
Clc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	14477409	MKIOQCMHKLNJAS-XAYKYTGQSA-N	316.231	5.820	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409151261	ATTHANDYODXBJK-VPZZIHKRSA-N	313.803	5.614	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1	20697965	CUCVWTAWCZXGRN-HLIPFELVSA-N	307.412	5.776	10	40	DKCB	
O=C1OC(c2cccs2)=C/C1=C\c1c(Cl)cccc1Cl	409053088	XCGBOGVALUPIBI-VQHVLOKHSA-N	323.200	5.036	10	40	DKCB	
CSc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	58850819	SULPMDKWEIUUBQ-GJYPPUQNSA-N	311.425	5.374	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	4309348	XQHNYSILRSSGJL-ZQIUZPCESA-N	316.231	5.820	10	40	DKCB	
c1ccc(-n2c3c(c4ccccc42)CCCc2ccccc2-3)cc1	2077813	RKEQKUJQOGQOKW-UHFFFAOYSA-N	309.412	5.786	10	40	DKCB	
Cc1nc(N)sc1/N=N/c1c(Cl)cc(Cl)cc1Cl	17243992	GVSGPZLBMUMEEJ-WUKNDPDISA-N	321.620	5.409	10	40	DKCB	
Fc1ccc(Nc2c3ccccc3nc3ccccc23)cc1Cl	33699751	YYNYUUPJGUTEKR-UHFFFAOYSA-N	322.770	5.924	10	40	DKCB	
c1ccc2c(Nc3ccc4nc[nH]c4c3)c3ccccc3nc2c1	26841340	AWWLLYZAVROLLZ-UHFFFAOYSA-N	310.360	5.008	10	40	DKCB	
COc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	6954829	SWPTWTQTFANCQQ-RLFYNMQTSA-N	311.812	5.175	10	40	DKCB	
CCCCN1c2ccc(CNCCC)cc2[C@@H](C)CC1(C)C	223786903	BAPQMVYINUQLIM-INIZCTEOSA-N	302.506	5.079	10	40	DKCB	
Cc1ccc(-c2ccc(F)c(F)c2)n1-c1ccc(C(C)C)cc1	228979129	SQRKUSFZXMASSW-UHFFFAOYSA-N	311.375	5.854	10	40	DKCB	
O=[N+]([O-])c1ccc(Nc2ccc(/N=N/c3ccccc3)cc2)cc1	5521767	NHMSYVDNGRVERL-QZQOTICOSA-N	318.336	5.754	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6935680	PDENWUUQGOAAJI-TXPKVOOTSA-N	309.384	5.051	10	40	DKCB	
Cc1cccc(C)c1/N=N/c1c(C)nc(N)nc1-c1ccccc1	100458955	JWFSXSBKIJIGCK-WCWDXBQESA-N	317.396	5.066	10	40	DKCB	
CN(C)c1ccc(/C=C/c2nc(-c3ccccc3)cs2)cc1	4867648	PLBYUNQIOUZAED-JLHYYAGUSA-N	306.434	5.047	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	6944014	BITIFXUAHJDQLP-HLIPFELVSA-N	309.840	5.729	10	40	DKCB	
CCCCc1ccc(/N=N/c2ccc(OC(=O)CC)cc2)cc1	3848688	KAWDTLZGPZXDSA-QZQOTICOSA-N	310.397	5.760	10	40	DKCB	
c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	4725897	QZCQQXMPFPDUCR-OCOZRVBESA-N	324.387	6.159	10	40	DKCB	
CCCCN(Cc1ccccc1)Cc1ccc(N(CC)CC)cc1	1644117	YZPQQCILOKVRBW-UHFFFAOYSA-N	324.512	5.335	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	6962672	WBJMYWXFTWWFOZ-MDOVXXIYSA-N	320.392	5.038	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	58850610	QBNMKSNMYAWYBE-WWGRRREGSA-N	317.219	5.215	10	40	DKCB	
CCN(CC)c1ccc(/C=C\c2c(C)cnc3ccccc23)cc1	17062621	AFHYWXWIJKOGPJ-QINSGFPZSA-N	316.448	5.560	10	40	DKCB	
CCCCN1c2cc(Cl)c(CNCC)cc2C(C)=CC1(C)C	223800279	HHAGZASYVNKUAP-UHFFFAOYSA-N	320.908	5.252	10	40	DKCB	
CC(C)Oc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	408736096	FESRJHXYWDKYBO-LQWHRVPQSA-N	323.411	5.439	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	8276845	ATTHANDYODXBJK-QUJCMNEKSA-N	313.803	5.614	10	40	DKCB	
Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21	409330890	CPMDIUVOBJWNFV-FDYHWXHSSA-N	318.247	5.146	10	40	DKCB	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1Cl	21508796	LCYHLRCUDPOQAB-UHFFFAOYSA-N	316.615	5.273	10	40	DKCB	
FC(F)(F)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	409173498	IWTCSXBKSOUBQM-JKIFEVAISA-N	315.338	5.532	10	40	DKCB	
CN(C)c1ccc(/C=C/C2=Nc3ccccc3NC(C)(C)C2)cc1	6721382	SNKZQCYBZVCDBR-FMIVXFBMSA-N	319.452	5.133	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	409152181	DNMMTYDBWACNTL-CKEIUWERSA-N	317.766	5.445	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	409167685	JEYJJUFUNLAIKQ-UVFQYZLESA-N	309.840	5.729	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccncc3)[C@@H]2C1	2478177	PQRRGKFDUQSERQ-MZKRTTBSSA-N	324.427	5.575	10	40	DKCB	
CCc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1	199745094	KHAMOZGIPHTNPQ-UHFFFAOYSA-N	303.449	6.139	10	40	DKCB	
CCCCN1c2cc(C)c(CNC(C)C)cc2[C@H](C)CC1(C)C	260722513	PLYRNMZMNFZMPO-QGZVFWFLSA-N	316.533	5.385	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	409161807	AZNQYEWHZRFQHG-GPMSIDNRSA-N	313.803	5.614	10	40	DKCB	
Oc1ccc(/N=N\c2ccc(Br)cc2)cc1Cl	104064055	AZZYSMKIRNIKFE-NXVVXOECSA-N	311.566	5.224	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	20695346	IPZMFXZLVZPRPU-WSTZPKSXSA-N	323.867	6.290	10	40	DKCB	
Oc1ccc(/N=N/c2ccc(/N=N\c3ccccc3)cc2)cc1	101482095	RTZYVAQWQXPIAC-YDRPFESOSA-N	302.337	6.223	10	40	DKCB	
C(=C/c1nc2ccccc2s1)\c1ccc(N2CCCCC2)cc1	7737247	XIGVDNCCDNQCLV-JLHYYAGUSA-N	320.461	5.457	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14471548	YIBNZUQQHRKLPI-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	36081015	PAUFYILSZKJEGL-LQWHRVPQSA-N	323.867	6.290	10	40	DKCB	
c1ccc(-c2ccc([C@@H]3CCNc4ccccc4N3)cc2)cc1	6732186	HNWHNOSPLHNHNX-IBGZPJMESA-N	300.405	5.322	10	40	DKCB	
Cc1ccc(C)c(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c1	409053492	YWFFHZSSYJWDKQ-XDHOZWIPSA-N	318.416	5.408	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	6962735	HOJAULRVBXREFP-HLIPFELVSA-N	309.840	5.783	10	40	DKCB	
Cc1occc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	4646929	BVPXDVPJAMPLCD-QZQOTICOSA-N	305.337	5.256	10	40	DKCB	
COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	4798380	XDIOQVBBAOZSSL-ZJNRKIDTSA-N	311.812	5.175	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754388	GTJITPKPHNVSGO-GPMSIDNRSA-N	309.384	5.051	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	20754231	OJTCJPROFSYEKE-ZRGWGRIASA-N	313.803	5.614	10	40	DKCB	
COc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	3900995	GNRGOLFXGWHGSA-UHFFFAOYSA-N	310.356	5.098	10	40	DKCB	
Oc1ccc(/N=N\c2ccc(/N=N/c3ccccc3)cc2)cc1	101482092	RTZYVAQWQXPIAC-AFQFZPALSA-N	302.337	6.223	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	5330558	SKHFHONUDPMOIS-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	14551227	LWIDLNZVULCAGW-PMUMKWKESA-N	316.231	5.820	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	8276661	ATTHANDYODXBJK-JMERFSKESA-N	313.803	5.614	10	40	DKCB	
Cc1cc2c(n1-c1cc(Cl)cc(Cl)c1)CC(C)(C)CC2=O	2512817	OBHKYJCIZUGEFJ-UHFFFAOYSA-N	322.235	5.248	10	40	DKCB	
CC(C)c1ccc(O)c(/N=N/c2ccc(Cl)cc2Cl)c1	4657153	HCESJNGOTBWFID-VHEBQXMUSA-N	309.196	6.238	10	40	DKCB	
c1ccc(/N=N/C2=NN(c3ccccc3)[C@H]3[C@@H]4CC[C@H](C4)[C@@H]23)cc1	103750862	LNNKPMHPCSEURD-OBBOJOGOSA-N	316.408	5.019	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1	20697725	WWKOCQXSJJQFSU-OPYAIIAOSA-N	307.412	5.776	10	40	DKCB	
Cc1ccc2nc(/N=N/c3ccc(O)c4ccccc34)sc2c1	100689915	WMGAJPNDPAKQNM-QZQOTICOSA-N	319.389	5.879	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	409157956	XASMXLMMUSPAQT-UWVAXJGDSA-N	309.840	5.783	10	40	DKCB	
O=C(COc1ccc(/N=N\c2ccccc2)cc1)c1ccccc1	102644106	HKASRYINDYHBTQ-DQRAZIAOSA-N	316.360	5.364	10	40	DKCB	
CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	4959558	WMRCXBIJEIQCTN-ZWOKBUDYSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc2c(c1)c1ccccc1n2Cc1ccc(N(C)C)cc1	2280752	YAQLLZZAFDNDGS-UHFFFAOYSA-N	314.432	5.217	10	40	DKCB	
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	111440995	LYTNCEBAQGOBEE-GPMSIDNRSA-N	320.392	5.038	10	40	DKCB	
Cc1cc(N(C)C)cc(C)c1/C=C/c1ccnc2ccccc12	13221063	NDPZHQYNUPAZOH-MDZDMXLPSA-N	302.421	5.088	10	40	DKCB	
CC(=O)Nc1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1	3845135	UFSOVVXCWYPNMD-GHVJWSGMSA-N	315.376	5.727	10	40	DKCB	
COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1	226909365	XZYWAYCGNIDIAL-VKJFTORMSA-N	311.812	5.175	10	40	DKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	227091310	IRSRESSVVBLOBE-VFVRVIDISA-N	316.231	5.820	10	40	DKCB	
CSc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1	409054075	METXEBOWMCBSSI-LFIBNONCSA-N	322.429	5.007	10	40	DKCB	
CCc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1	409159301	SIVIJIPBCUYGSS-HLIPFELVSA-N	309.840	5.729	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21	409159785	UPMWNZWNJOUAAA-QFSBIZTOSA-N	317.219	5.215	10	40	DKCB	
CC(C)c1ccc2oc(-c3ccc(-n4cccc4)cc3)nc2c1	226281070	MRRYULLVNHGOLQ-UHFFFAOYSA-N	302.377	5.409	10	40	DKCB	
Cc1c(C(=O)CCc2ccccc2)sc2ccc(Cl)cc12	575362253	PYJKJHBWJCXQLN-UHFFFAOYSA-N	314.837	5.679	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6935707	UGMHMXUVVMJVHA-NJSLBKSFSA-N	309.384	5.051	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	4798359	QRRCLHGSZFNJEH-ZWOKBUDYSA-N	323.823	5.369	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	8336094	HORKIEPNKBNOBU-FRQCXROJSA-N	313.803	5.614	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	20713032	YYRYWXFTXGYUBN-MDOVXXIYSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1cccc(Br)c1	8413409	GGQQXMDDGMBEJD-UHFFFAOYSA-N	312.210	5.215	10	40	DKCB	
Oc1c([C@H](c2ccccc2)N2CCCCC2)ccc2ccccc12	16973264	BHQMZYFPNOMHJJ-NRFANRHFSA-N	317.432	5.121	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1	6347648	ACZMDPFWEBBCBK-ZWOKBUDYSA-N	323.867	6.290	10	40	DKCB	
CN(C)c1cccc(Nc2c3ccccc3nc3ccccc23)c1	31773376	HMDFWFQPHCPJRG-UHFFFAOYSA-N	313.404	5.198	10	40	DKCB	
c1ccc2c(c1)-c1cccc3c1c-2cc1nc2ccccc2nc13	4309470	IUNXRMBHRCVHJW-UHFFFAOYSA-N	304.352	5.584	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	6935463	FDJFLFGYECAVAV-STXHMFSFSA-N	309.384	5.051	10	40	DKCB	
FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21	409161214	ZLGXOPHOZZMESM-WPKBUWHJSA-N	315.338	5.532	10	40	DKCB	
Cc1ccc(-n2c(C)cc(-c3nc4ccccc4s3)c2C)cc1	6966501	AARBEZCXRRGZOU-UHFFFAOYSA-N	318.445	5.679	10	40	DKCB	
CCCN1c2cc(Cl)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	223789704	MYVADJUTNZWAMD-AWEZNQCLSA-N	322.924	5.340	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	4959559	WMRCXBIJEIQCTN-HLIPFELVSA-N	309.384	5.051	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	226695489	PMPPVVGBHYRYOO-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1	13614499	VFLNARZAHJYLBO-RKVPGOIHSA-N	316.231	5.820	10	40	DKCB	
Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1ccc(Cl)cc1	16951204	FHICSSFIXANLNO-GHVJWSGMSA-N	323.787	5.103	10	40	DKCB	
CC(C)(C)c1cc(Cc2ccc(O)cc2)cc(C(C)(C)C)c1O	2275303	NUIRGQLBGQXCGH-UHFFFAOYSA-N	312.453	5.284	10	40	DKCB	
CN(C)c1ccc(/C=C\c2ccnc3ccc(Cl)cc23)cc1	17062551	IFPOXBWRYOFSTH-UTCJRWHESA-N	308.812	5.125	10	40	DKCB	
Cc1ccc(/N=N/c2c(C)noc2/C=C/c2ccccc2)cc1	4015220	LBSKHJAKNJLIFC-YIWZNODSSA-N	303.365	5.877	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2	58850614	ZTGPYYOJOQCJQW-WWGRRREGSA-N	317.219	5.215	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	1446284	UTZIFQWZQXYWPZ-FUHIMQAGSA-N	320.392	5.038	10	40	DKCB	
COc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20695075	SWPTWTQTFANCQQ-IIDMSEBBSA-N	311.812	5.175	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	4959557	WMRCXBIJEIQCTN-UWVAXJGDSA-N	309.384	5.051	10	40	DKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21	58850661	LWTTZZRYWPUKNC-WQGACYEGSA-N	317.219	5.215	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6943928	BITIFXUAHJDQLP-UWVAXJGDSA-N	309.840	5.729	10	40	DKCB	
Nc1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)c1ccccc1-2	17285007	MJESGBIGGKRXCT-YBFXNURJSA-N	303.792	5.492	10	40	DKCB	
Fc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1	3068453	TWBBQIAAFARZGU-JQVVWYNYSA-N	315.391	5.805	10	40	DKCB	
CSc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1	199733775	GOYKGPOVVDLNEV-UHFFFAOYSA-N	321.489	6.298	10	40	DKCB	
COc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	4798371	VXUKQQSYGMETLM-MPGHIAIKSA-N	311.812	5.175	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccncc3)[C@@H]2C1	20059014	PQRRGKFDUQSERQ-MIZPHKNDSA-N	324.427	5.575	10	40	DKCB	
Cc1[nH]c2ccccc2c1/N=N/c1ccccc1C(F)(F)F	12346351	RRGDBUBRTGQLAO-QURGRASLSA-N	303.287	5.911	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	20713171	HNDNTUDGYBSZFV-SIFCLUCFSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(C2=C/C(=C/c3cccc4ccccc34)C(=O)O2)cc1	6840753	XJQOTHYBPQEGEI-UYRXBGFRSA-N	312.368	5.130	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	8336105	NOPKYSZEJAMBCH-KSMMKXTCSA-N	313.803	5.614	10	40	DKCB	
Cc1cc(O)ccc1N=Nc1ccc2c(c1)Cc1ccccc1-2	299888805	YHELYTRELJRMBS-UHFFFAOYSA-N	300.361	5.687	10	40	DKCB	
CN(C)c1ccc(/C=C/c2ccnc3c(Cl)cccc23)cc1	6375062	GEZCMBFIQLXVGN-RMKNXTFCSA-N	308.812	5.125	10	40	DKCB	
FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	409159011	YROTUSFYXHPANM-RVKKMQEKSA-N	315.338	5.532	10	40	DKCB	
Nc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1	2540247	NGLXJSJOFZXMFB-UHFFFAOYSA-N	322.113	5.387	10	40	DKCB	
Cc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1C	4972343	MJNILCMODKARFO-QZQOTICOSA-N	320.348	5.276	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	6943983	UBUKHAWFTWBBNT-QEEYODRMSA-N	309.840	5.729	10	40	DKCB	
Clc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	3909553	JXSYYGUUFOZUHJ-UHFFFAOYSA-N	304.780	5.785	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	8276545	OJTCJPROFSYEKE-YZVOILCLSA-N	313.803	5.614	10	40	DKCB	
Cc1cc([N+](=O)Nc2ccccc2)ccc1N=Nc1ccccc1	367919636	MDISKSHSYBTZDQ-UHFFFAOYSA-N	317.372	5.848	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	8087422	WOJXTKJJZZDDQN-WFXMLNOXSA-N	323.867	6.037	10	40	DKCB	
Oc1ccc(/N=N\c2ccc(/N=N\c3ccccc3)cc2)cc1	101482091	RTZYVAQWQXPIAC-ZEINVRMVSA-N	302.337	6.223	10	40	DKCB	
Cc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1[N+](=O)[O-]	4763529	AAXGCCANEAKACG-VHEBQXMUSA-N	307.309	5.177	10	40	DKCB	
O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1	5705162	CUUMQBIJNWGQLU-UHFFFAOYSA-N	310.352	5.059	10	40	DKCB	in-vivo
c1ccc(-c2ccc([C@H]3CCNc4ccccc4N3)cc2)cc1	6732187	HNWHNOSPLHNHNX-LJQANCHMSA-N	300.405	5.322	10	40	DKCB	
COc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1	100014606	FCGFWOWJYRUWDY-QZQOTICOSA-N	304.349	5.483	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	20754384	GTJITPKPHNVSGO-JTDSTZFVSA-N	309.384	5.051	10	40	DKCB	
Cc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1	226862594	BXXAZDZBLLYDIG-URVUXULASA-N	311.428	5.975	10	40	DKCB	
CN(C)c1ccc(/C=C/c2ccnc3ccc(Cl)cc23)cc1	6375049	IFPOXBWRYOFSTH-ZZXKWVIFSA-N	308.812	5.125	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	409162022	CAPKRWWBGAWSLZ-CKEIUWERSA-N	317.766	5.445	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	226725176	WWKOCQXSJJQFSU-LQWHRVPQSA-N	307.412	5.776	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	4321348	FIZHZANIWBCRQK-STXHMFSFSA-N	323.823	5.369	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	20699390	NFXOBVALQHSIQZ-MBOZVWFJSA-N	309.840	5.783	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409175663	UGMHMXUVVMJVHA-LPMFXHHGSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	4164894	DUGJOXCAUZQPIR-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
Brc1ccc(/N=N\c2ccc3ccccc3n2)cc1	102738889	JHSZMQCXWKUICJ-HNENSFHCSA-N	312.170	5.413	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21	20713029	YYRYWXFTXGYUBN-SXGZJXTBSA-N	320.392	5.038	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1	6347620	ACZMDPFWEBBCBK-QKLQHJQFSA-N	323.867	6.290	10	40	DKCB	
CC(C)(C)c1cccc(/N=[N+](/[O-])c2cccc(C(C)(C)C)c2)c1	100287311	HSVGDUHQFYXDIY-QURGRASLSA-N	310.441	6.207	10	40	DKCB	
c1ccc2c(Nc3c4ccccc4nc4ccccc34)cccc2c1	3892251	VTCBETOUGRNVEV-UHFFFAOYSA-N	320.395	6.285	10	40	DKCB	
Cc1ccc(-c2ccccc2Cl)n1-c1ccc(C(C)C)cc1	228927605	QOJQVISHPFPPKX-UHFFFAOYSA-N	309.840	6.230	10	40	DKCB	
CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)[C@@H](O)C1	2294442	CJMXNPTWAKQWJM-NRFANRHFSA-N	317.432	5.150	10	40	DKCB	
CCc1cnc2ccccc2c1/C=C\c1ccc(N(C)C)cc1	5542182	NVVMJAGGRDWGEJ-KAMYIIQDSA-N	302.421	5.034	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	20699810	BWVZHUQQERTSPC-WSTZPKSXSA-N	323.867	6.290	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	409161810	AZNQYEWHZRFQHG-JTDSTZFVSA-N	313.803	5.614	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1cccc(Cl)c1Cl	8413468	GFYLLZHYIRTVQJ-UHFFFAOYSA-N	302.204	5.760	10	40	DKCB	
CN(C)c1ccc(/C=C\c2ccnc3ccc4ccccc4c23)cc1	17161631	IKCVQOAMABCPCU-YFHOEESVSA-N	324.427	5.624	10	40	DKCB	
CN(C)c1ccc(/C=C(\Cl)c2nc3ccccc3s2)cc1	5694688	BPNAJKNVRHHMDG-KAMYIIQDSA-N	314.841	5.099	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	226899384	VKMWZVYIGBPYDV-VCBZYWHSSA-N	313.803	5.614	10	40	DKCB	
Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccccc1	6962192	HZMPVRDSBMLWIN-UHFFFAOYSA-N	304.418	5.371	10	40	DKCB	
Cc1ncc(/N=N\c2ccccc2Cl)c(-c2ccccc2)n1	13139029	IUYSGWIAVDUSDX-DQRAZIAOSA-N	308.772	5.521	10	40	DKCB	
COc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1F	199744257	IQRDDGKBDWOIPN-UHFFFAOYSA-N	323.411	5.724	10	40	DKCB	
Oc1ccc(/N=N/c2ccc(Br)cc2)cc1Cl	18044748	AZZYSMKIRNIKFE-FOCLMDBBSA-N	311.566	5.224	10	40	DKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@@H]21	96006172	MZSQUMXQODANFL-HSMVNMDESA-N	317.219	5.215	10	40	DKCB	
Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1	409157951	XASMXLMMUSPAQT-HLIPFELVSA-N	309.840	5.783	10	40	DKCB	
COc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21	226892105	FDMVIZFWYVTBGD-FHSNZYRGSA-N	311.812	5.175	10	40	DKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccccn1)[C@H]1CC=C[C@H]21	4959631	RVLGEBUGZCHUPY-XMZIXOGTSA-N	317.219	5.215	10	40	DKCB	
Clc1ccc2c(c1)C(N1CCCC1)=Cc1ccccc1S2	2193124	QEOXREUACMOBLF-UHFFFAOYSA-N	313.853	5.399	10	40	DKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	8276746	OJTCJPROFSYEKE-QMTMVMCOSA-N	313.803	5.614	10	40	DKCB	
CCCCN1c2cc(C)c(CNCCC)cc2[C@H](C)CC1(C)C	260725433	WDAJIGJOODVNIP-QGZVFWFLSA-N	316.533	5.387	10	40	DKCB	
[O-]/[N+](=N/c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1	100369152	QFGVOMFBKKZUAC-DKHHWMATSA-N	302.337	6.028	10	40	DKCB	
CC(C)Oc1cccc(C2Nc3cccc4cccc(c34)N2)c1	70453938	NANYFOHRHYHEHY-UHFFFAOYSA-N	304.393	5.163	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1	8087401	MAPBINSKWVMDFI-FCEWJHQRSA-N	309.840	5.729	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccc3)[C@@H]2C1	409151993	DGCJHFMPJJCZIS-YZUZCNPQSA-N	323.439	6.180	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	8371319	XAZPXGMEVIWJPB-JMERFSKESA-N	313.803	5.614	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	177920	XQHNYSILRSSGJL-JJRVBVJISA-N	316.231	5.820	10	40	DKCB	
Cc1ccc(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	48577	HUQJANNJQJBHAP-UHFFFAOYSA-N	324.405	5.154	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21	409159784	UPMWNZWNJOUAAA-PEBVRCNWSA-N	317.219	5.215	10	40	DKCB	
Cc1cc(/N=N/c2ccc(/N=N\c3ccccc3)cc2)ccc1O	100108668	VGKYEIFFSOPYEW-CQARIBONSA-N	316.364	6.531	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	409160261	WOJXTKJJZZDDQN-LQWHRVPQSA-N	323.867	6.037	10	40	DKCB	
FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	409158999	YROTUSFYXHPANM-RKVPGOIHSA-N	315.338	5.532	10	40	DKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21	879499	RVLGEBUGZCHUPY-LYOVBCGYSA-N	317.219	5.215	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	302491	WMRCXBIJEIQCTN-FUHIMQAGSA-N	309.384	5.051	10	40	DKCB	
CCCCNCc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	223674931	JTDXMCIYMNNIQO-UHFFFAOYSA-N	324.390	5.003	10	40	DKCB	
Nc1nc(-c2ccccc2)c(/N=N/c2ccccc2Cl)s1	100530113	PCNJSARSIUDICD-FMQUCBEESA-N	314.801	5.461	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1Cl	5931010	NAEICLIBQATRKR-UHFFFAOYSA-N	302.204	5.760	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(C)ccc1C)N2	58928640	ULZCYGODOGEQKS-KGVIQGDOSA-N	317.432	5.333	10	40	DKCB	
Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]21	4117443	AYIPFKKBJMBCJJ-HYFFOGBASA-N	315.391	5.805	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	6347690	BWVZHUQQERTSPC-CMKODMSKSA-N	323.867	6.290	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	20713026	YYRYWXFTXGYUBN-AVYPCKFXSA-N	320.392	5.038	10	40	DKCB	
Fc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	226714553	GJRSJWGRXHERCX-MMOPVJDHSA-N	315.391	5.805	10	40	DKCB	
CC1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1	8843377	WAXTZLCDBYPBOL-UHFFFAOYSA-N	319.857	5.007	10	40	DKCB	
Oc1ccc(/N=N/c2ccc(Cl)cc2Cl)c2ccccc12	18008300	OAAQFIKDMGWZBY-FMQUCBEESA-N	317.175	6.268	10	40	DKCB	
CCN(CC)c1ccc(/N=N/c2cccc3ccccc23)cc1	96180964	OKEQQFUZPKPYGU-QURGRASLSA-N	303.409	6.101	10	40	DKCB	
Cc1ccc(-c2nc(N)ncc2/N=N\c2cccc(C)c2C)cc1	100135267	PESMYRWEBZZSMH-VHXPQNKSSA-N	317.396	5.066	10	40	DKCB	
C1=C[C@@H]2c3cccc(-c4ccccc4)c3N[C@@H](c3ccccc3)[C@H]2C1	7097676	BREOEHWEQZXVMP-FUDKSRODSA-N	323.439	6.180	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	409170271	VAPCFQIYHPQMMS-MBOZVWFJSA-N	309.840	5.729	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409161921	XAZPXGMEVIWJPB-NQCMUKECSA-N	313.803	5.614	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	226715959	GVCLNZPPEGFFHS-LQWHRVPQSA-N	323.867	6.290	10	40	DKCB	
CCCCN1c2cc(F)c(CNCCC)cc2C(C)=CC1(C)C	223821084	HMSQXVCPFLHLFK-UHFFFAOYSA-N	318.480	5.127	10	40	DKCB	
Cc1c(C(=O)CCC2CCCC2)sc2ccc(Cl)cc12	575362420	ZLIXFTBHQKHASM-UHFFFAOYSA-N	306.858	6.016	10	40	DKCB	
COc1cccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)c1	199733637	IIVMVMRIDDUHNO-UHFFFAOYSA-N	305.421	5.585	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	169682368	WVPZWEZBZSDHNJ-UWVAXJGDSA-N	320.392	5.038	10	40	DKCB	
CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	6935665	GTJITPKPHNVSGO-TXPKVOOTSA-N	309.384	5.051	10	40	DKCB	
c1ccc(/N=N/C2=NN(c3ccccc3)[C@@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)cc1	103750850	LNNKPMHPCSEURD-FSYMEKTBSA-N	316.408	5.019	10	40	DKCB	
Cc1ccc(Nc2c(-c3ccc(C)o3)nc3cc(C)ccn23)cc1	426778	CNSHKGPNKWHXGI-UHFFFAOYSA-N	317.392	5.263	10	40	DKCB	
FC(F)(F)c1cccc(C2Nc3cccc4cccc(c34)N2)c1	70453987	JUBXWUWBRXZRJE-UHFFFAOYSA-N	314.310	5.395	10	40	DKCB	
Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1	18129290	GYSBIUPPXQOLIQ-MBALSZOMSA-N	316.368	5.682	10	40	DKCB	
[O-]/[N+](=N\c1ccccc1)c1ccc(/N=N\c2ccccc2)cc1	100369155	QFGVOMFBKKZUAC-ZEINVRMVSA-N	302.337	6.028	10	40	DKCB	
CCc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	6944806	QVCZRZSGKIFVHW-IMFGXOCKSA-N	309.840	5.729	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	6967089	MRAQPGMHKRUYRP-AVYPCKFXSA-N	309.840	5.783	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)c(Cl)c1	8413243	ZGBRUCRKUFBZJO-UHFFFAOYSA-N	302.204	5.760	10	40	DKCB	
CC(C)COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1	70453932	UYGOVNSMTQDISR-UHFFFAOYSA-N	318.420	5.411	10	40	DKCB	
C[C@]12CC[C@@H](N=[N+]=[N-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O	12652685	ZVAWIXZNDBDOPI-CUZKMJQKSA-N	317.477	5.069	10	40	DKCB	biogenic
CCCCN1c2ccc(CNCCC)cc2[C@H](C)CC1(C)C	260714165	BAPQMVYINUQLIM-MRXNPFEDSA-N	302.506	5.079	10	40	DKCB	
CN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1Cl	6375153	ODDJSAMUDSUEPB-VQHVLOKHSA-N	308.812	5.125	10	40	DKCB	
CCCCN1c2cc(F)c(CNCCC)cc2[C@H](C)CC1(C)C	260714493	CPHJLJDIOPCYBI-OAHLLOKOSA-N	320.496	5.218	10	40	DKCB	
Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	104141493	CPMDIUVOBJWNFV-FVCCEPFGSA-N	318.247	5.146	10	40	DKCB	
CC(C)N(C)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1	18145684	IFNXRXYFSBUXNE-FMQUCBEESA-N	322.239	6.253	10	40	DKCB	
O=[N+]([O-])c1ccc(/N=N\c2c(Cl)cc(O)cc2Cl)cc1	18193844	ZTXWNIBRQUVRQR-NXVVXOECSA-N	312.112	5.023	10	40	DKCB	
COc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	8115935	NWTGYPAYRDSASF-PMUMKWKESA-N	311.812	5.175	10	40	DKCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14465894	SRPZKEMLISGTDR-BIENJYKASA-N	311.812	5.175	10	40	DKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CCCCC1	5946311	MMLILOSTIHQZJH-QURGRASLSA-N	307.397	5.621	10	40	DKCB	
Cc1cc(/[N+]([O-])=N\c2ccccc2)ccc1/N=N\c1ccccc1	100369128	PTJVCTNAKUVCCH-CQARIBONSA-N	316.364	6.336	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccc3)[C@H]2C1	409151991	DGCJHFMPJJCZIS-AWRGLXIESA-N	323.439	6.180	10	40	DKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	6962657	WBJMYWXFTWWFOZ-AVYPCKFXSA-N	320.392	5.038	10	40	DKCB	
CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	4151259	WBERNRVMJQYKKR-UHFFFAOYSA-N	313.404	5.198	10	40	DKCB	
Cc1cc(/[N+]([O-])=N/c2ccccc2)ccc1/N=N\c1ccccc1	100369135	PTJVCTNAKUVCCH-DNKSKCFASA-N	316.364	6.336	10	40	DKCB	
Cc1cc(O)c(/N=N/c2ccc(Br)cc2)cc1C	17822556	LABPTAJNLCODAN-WUKNDPDISA-N	305.175	5.187	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226727936	HOJAULRVBXREFP-MBOZVWFJSA-N	309.840	5.783	10	40	DKCB	
CCCCN1c2cc(F)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	223790299	BSEDJUYUANQORF-HNNXBMFYSA-N	320.496	5.216	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	409162237	YUPCZRZMBJTOMB-ILZDJORESA-N	309.840	5.729	10	40	DKCB	
C[C@@H](c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	13129688	ONHVVOSCJXMICX-KRWDZBQOSA-N	324.427	5.896	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20695050	OHSZGERTUVAVND-MBOZVWFJSA-N	309.840	5.783	10	40	DKCB	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	4309346	XQHNYSILRSSGJL-VBQJREDUSA-N	316.231	5.820	10	40	DKCB	
CC1(C)C(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1(C)C	4462433	PMNFYWIFDKEDEO-GHVJWSGMSA-N	321.424	5.723	10	40	DKCB	
Cc1cc(O)c(CN2CCC[C@H]2c2cccs2)cc1C(C)C	14077895	PTVIFJDAPFMSHH-KRWDZBQOSA-N	315.482	5.223	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	20695047	OHSZGERTUVAVND-FUHIMQAGSA-N	309.840	5.783	10	40	DKCB	
Cc1cc([N+](=O)[O-])c2c(c1C)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	6792786	LYTNCEBAQGOBEE-BXWFABGCSA-N	320.392	5.038	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	409166186	CXQHSXHICXNYAC-FUHIMQAGSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1	6721263	TWSLNIMQJKXKHA-UHFFFAOYSA-N	319.452	5.462	10	40	DKCB	
COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)c1	20755042	SXXGMVBRZILBOU-MDZRGWNJSA-N	311.812	5.175	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409156040	SSKCDDGPIKWCLM-WSTZPKSXSA-N	307.412	5.776	10	40	DKCB	
COC(=O)c1nc(/N=N/c2ccccc2)sc1-c1ccccc1	5157636	HQOBKWGMCXBQLY-FMQUCBEESA-N	323.377	5.012	10	40	DKCB	
CCc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	409169442	QVCZRZSGKIFVHW-ILZDJORESA-N	309.840	5.729	10	40	DKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	6962727	XBTXGYVZFHOFCL-QEEYODRMSA-N	320.392	5.038	10	40	DKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	8371346	XAZPXGMEVIWJPB-QUJCMNEKSA-N	313.803	5.614	10	40	DKCB	
Clc1cccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1Cl	6816651	BDMZARFPSCMUOE-AEDCBLDQSA-N	316.231	5.820	10	40	DKCB	
C[N+](C)(C)c1ccc(/N=N/c2ccc(Br)cc2)cc1	96191707	TZWCHRGTGGPTNE-ISLYRVAYSA-N	319.226	5.061	10	40	DKCB	
CN(C)c1ccc(C=C2C3=C(CCCC3)OC3=C2CCCC3)cc1	3145404	UAUNXXHWGLZOTP-UHFFFAOYSA-N	321.464	5.822	10	40	DKCB	biogenic
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	58850608	XFGQYNUMRIHIQD-BWACUDIHSA-N	317.219	5.215	10	40	DKCB	
Oc1ccc(/N=N/c2ccccc2)c(O)c1/N=N/c1ccccc1	100365020	XVTNUIZCUDPIOU-FLFKKZLDSA-N	318.336	5.929	10	40	DKCB	
COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	1196095	XDIOQVBBAOZSSL-VEVIJQCQSA-N	311.812	5.175	10	40	DKCB	
Fc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)cc1	4697071	TWBBQIAAFARZGU-KNKQGSTJSA-N	315.391	5.805	10	40	DKCB	
Cc1cccc(C)c1/N=N\c1c(C)nc(N)nc1-c1ccccc1	16951214	JWFSXSBKIJIGCK-VHXPQNKSSA-N	317.396	5.066	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21	802431	ZPSCRYWKCOJMAB-OGHNNQOOSA-N	317.219	5.215	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	6967104	HNDNTUDGYBSZFV-MDOVXXIYSA-N	320.392	5.038	10	40	DKCB	
O=[N+]([O-])c1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1	96180959	YKIKQGBHYBRPTR-QZQOTICOSA-N	318.336	5.754	10	40	DKCB	
CCCCN1c2cc(F)c(CNC(C)C)cc2C(C)=CC1(C)C	223822861	LXAUEABWOANPAI-UHFFFAOYSA-N	318.480	5.126	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	409162024	CAPKRWWBGAWSLZ-JKIFEVAISA-N	317.766	5.445	10	40	DKCB	
CCc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	6944940	JEYJJUFUNLAIKQ-KKVAFCGZSA-N	309.840	5.729	10	40	DKCB	
COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1	226793763	FOCPRKTZWCVGSJ-VKJFTORMSA-N	311.812	5.175	10	40	DKCB	
CCN(CC)c1ccc(/C=C\c2cc(C)c3ccccc3n2)cc1	4366963	GNKKEOQOUXCYQD-RAXLEYEMSA-N	316.448	5.560	10	40	DKCB	
CN(C)Cc1cc(/N=N/c2ccc(Cl)c(Cl)c2)ccc1O	6005907	OJWIYISCKKCUHB-VHEBQXMUSA-N	324.211	5.176	10	40	DKCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	4321346	FIZHZANIWBCRQK-QEEYODRMSA-N	323.823	5.369	10	40	DKCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14464858	CTFCKRNAUGKSIT-GJYPPUQNSA-N	311.812	5.175	10	40	DKCB	
CCCNCc1cc2c(cc1Cl)N(CCC)C(C)(C)C[C@@H]2C	223787500	FSZFMOCAOJKHMA-AWEZNQCLSA-N	322.924	5.342	10	40	DKCB	
Cc1cc(N=Nc2ccccc2)ccc1N=Nc1ccccc1	245239801	MJRFLRVQFACVJO-UHFFFAOYSA-N	300.365	6.826	10	40	DKCB	
Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccccc3C)n2c1	426771	FHNIMWSKCJKIIJ-UHFFFAOYSA-N	317.392	5.263	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	409159434	UBUKHAWFTWBBNT-SXGZJXTBSA-N	309.840	5.729	10	40	DKCB	
Oc1cc(/N=N/c2ccc(C(F)(F)F)cc2)c2ccccc2c1	110306365	AVCIPBZDPANZOT-QURGRASLSA-N	316.282	5.980	10	40	DKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	6944067	UBUKHAWFTWBBNT-STXHMFSFSA-N	309.840	5.729	10	40	DKCB	
Clc1cccc(Cl)c1C1Nc2cccc3cccc(c23)N1	135777	QNEHMYDUZSTNDI-UHFFFAOYSA-N	315.203	5.683	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	113355196	FDJFLFGYECAVAV-SIFCLUCFSA-N	309.384	5.051	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1ccccc1Br	8413479	OZXPDCAZGIMGLZ-UHFFFAOYSA-N	312.210	5.215	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	6324106	HAXBKZFFIYQJNZ-QKLQHJQFSA-N	321.439	5.950	10	40	DKCB	
Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1O	19998362	NNCJCMFZQKUHOF-UHFFFAOYSA-N	316.615	5.273	10	40	DKCB	
Fc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@H]32)c1	409153550	IHMSWUVYBPHBEK-SBHAEUEKSA-N	315.391	5.805	10	40	DKCB	
CSc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1	14551873	WTYQZTTYRZNPFW-UWVAXJGDSA-N	307.462	5.543	10	40	DKCB	
COc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1	199733665	MCUSPENTIHMXCZ-UHFFFAOYSA-N	305.421	5.585	10	40	DKCB	
CCCCN1c2cc(Cl)c(CNCC)cc2[C@H](C)CC1(C)C	260716958	HHSMARGNQCXINE-CQSZACIVSA-N	322.924	5.342	10	40	DKCB	
CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1	100499970	LNVGWTAEHWXAJS-INCMKVTQSA-N	321.424	5.867	10	40	DKCB	
COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	37361	XDIOQVBBAOZSSL-FHSNZYRGSA-N	311.812	5.175	10	40	DKCB	
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	5739810	LYTNCEBAQGOBEE-GJYPPUQNSA-N	320.392	5.038	10	40	DKCB	
CN(C)c1ccc(/C=C\c2ccnc3ccccc23)cc1Cl	17162398	ODDJSAMUDSUEPB-CLFYSBASSA-N	308.812	5.125	10	40	DKCB	
CCOc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1	58928503	KDZFAVWQRLLXOJ-LQWHRVPQSA-N	305.421	5.220	10	40	DKCB	
Fc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1	409153546	IHMSWUVYBPHBEK-DYXWJJEUSA-N	315.391	5.805	10	40	DKCB	
Cc1cccc(-n2c(C)cc(-c3nc4ccccc4s3)c2C)c1	6967819	CIBZWNIWQQMWFH-UHFFFAOYSA-N	318.445	5.679	10	40	DKCB	
[O-]/[N+](=N/c1ccccc1)c1ccc(/N=N\c2ccccc2)cc1	100369150	QFGVOMFBKKZUAC-YDRPFESOSA-N	302.337	6.028	10	40	DKCB	
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccncc3)[C@H]2C1	4168302	PQRRGKFDUQSERQ-JTAQYXEDSA-N	324.427	5.575	10	40	DKCB	
COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)c1	8168419	XZYWAYCGNIDIAL-DAYGRLMNSA-N	311.812	5.175	10	40	DKCB	
Cc1ccc2cc(C3=C/C(=C/c4ccccc4)C(=O)O3)ccc2c1	408726801	VGLOAPGJGWJGOA-NDENLUEZSA-N	312.368	5.130	10	40	DKCB	
Cc1ccc(C)n1-c1ccc(OCc2ccccc2Cl)cc1	5740495	ZCXZTAYRHDMECT-UHFFFAOYSA-N	311.812	5.327	10	40	DKCB	
CCc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	8087378	WOJXTKJJZZDDQN-UEXGIBASSA-N	323.867	6.037	10	40	DKCB	
Cc1cc(/[N+]([O-])=N/c2ccccc2)ccc1/N=N/c1ccccc1	13402781	PTJVCTNAKUVCCH-ULSZVZLESA-N	316.364	6.336	10	40	DKCB	
CC(C)Oc1ccc(C2Nc3cccc4cccc(c34)N2)cc1	70453931	WJCDOENHSPZBGG-UHFFFAOYSA-N	304.393	5.163	10	40	DKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	20700351	MRAQPGMHKRUYRP-SIFCLUCFSA-N	309.840	5.783	10	40	DKCB	
CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccccc1	26570112	DIKQXCVHGTUWMD-UHFFFAOYSA-O	315.849	5.120	10	40	DKCB	
CC(C)NCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	260726476	YTFQYTZCYQSJEJ-CQSZACIVSA-N	322.924	5.339	10	40	DKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700209	NKNURLXYMJYPOI-SXGZJXTBSA-N	309.840	5.783	10	40	DKCB	
Cc1cc([N+]([O-])=Nc2ccccc2)ccc1N=Nc1ccccc1	245240391	PTJVCTNAKUVCCH-UHFFFAOYSA-N	316.364	6.336	10	40	DKCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	6935425	FDJFLFGYECAVAV-QEEYODRMSA-N	309.384	5.051	10	40	DKCB	
Oc1ccc2ccccc2c1/N=N\c1cc(Cl)ccc1Cl	104393109	CPCATQXQIUSTRT-VXPUYCOJSA-N	317.175	6.268	10	40	DKCB	
Oc1ccc(N=Nc2ccc3c(c2)Cc2ccccc2-3)c(O)c1	299888596	PPZSYIWWKUVZLX-UHFFFAOYSA-N	302.333	5.084	10	40	DKCB	
CCN(CC)c1ccc(/C=C/c2cc(C)c3ccccc3n2)cc1	16968782	GNKKEOQOUXCYQD-JLHYYAGUSA-N	316.448	5.560	10	40	DKCB	
Cc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C)o3)nc2c1	426784	PJNHLEFEDGQOQX-UHFFFAOYSA-N	321.355	5.094	10	40	DKCB	
O=[N+]([O-])c1ccc(Nc2ccccc2/N=N/c2ccccc2)cc1	4834586	XVZFUEPJBVXSJM-QZQOTICOSA-N	318.336	5.754	10	40	DKCB	
CCc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	8087389	SIVIJIPBCUYGSS-QKLQHJQFSA-N	309.840	5.729	10	40	DKCB	
CCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1	100499976	LNVGWTAEHWXAJS-JIJSDIOJSA-N	321.424	5.867	10	40	DKCB	
S=C1/C(=C/Nc2cccc3ccccc23)Sc2ccccc21	100719498	KUEHTUXLOGJJGJ-PDGQHHTCSA-N	319.454	5.617	10	40	DKCB	
Cc1cc(N=Nc2ccc(N=Nc3ccccc3)cc2)ccc1O	263609622	VGKYEIFFSOPYEW-UHFFFAOYSA-N	316.364	6.531	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1	409172985	HAXBKZFFIYQJNZ-HLIPFELVSA-N	321.439	5.950	10	40	DKCB	
CC(C)N(C)c1ccc(/N=N\c2cc(Cl)ccc2Cl)cc1	104140559	IFNXRXYFSBUXNE-VXPUYCOJSA-N	322.239	6.253	10	40	DKCB	
Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21	409330900	CPMDIUVOBJWNFV-QNWHQSFQSA-N	318.247	5.146	10	40	DKCB	
Fc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@H]32)c1	7098996	IHMSWUVYBPHBEK-ZVDOUQERSA-N	315.391	5.805	10	40	DKCB	
Oc1ccc2ccccc2c1/N=N/c1cc(Cl)ccc1Cl	17327248	CPCATQXQIUSTRT-FMQUCBEESA-N	317.175	6.268	10	40	DKCB	
Cc1ccc(C(=O)C(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1	409206111	VFNJLLJPQHZYDD-UHFFFAOYSA-N	314.812	5.012	10	40	DKCB	
CCN(CC)c1ccc(CNc2ccc(Cl)cc2Cl)cc1	21820124	CYGPHIHBSQXTQP-UHFFFAOYSA-N	323.267	5.452	10	40	DKCB	
O=[N+]([O-])c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1	3845130	FVCZVUAIRBKAOQ-FMQUCBEESA-N	303.321	5.677	10	40	DKCB	
CCCCn1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc21	4889302	GSZJHPMZQUFPER-NTCAYCPXSA-N	319.452	5.073	10	40	DKCB	
Cc1ccc(C(C)C)c(Oc2ccc(-n3c(C)ccc3C)cc2)c1	7468536	FXPBEJWDEWASGZ-UHFFFAOYSA-N	319.448	6.318	10	40	DKCB	
CCN(CC)c1ccc(/C=C(\C)c2nc3ccc(C)cc3[nH]2)cc1	17014659	UNUMDGCGPLBVCE-JQIJEIRASA-N	319.452	5.278	10	40	DKCB	
Cc1ccc(-c2ccc(C(C)C)cc2)n1-c1ccc(N(C)C)cc1	228925001	VZBSIPSFZUJELF-UHFFFAOYSA-N	318.464	5.642	10	40	DKCB	
CCc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	6944902	QVCZRZSGKIFVHW-YVWKXTFCSA-N	309.840	5.729	10	40	DKCB	
C1=C[C@@H]2c3cccc(-c4ccccc4)c3N[C@H](c3ccccc3)[C@@H]2C1	7097589	BREOEHWEQZXVMP-QZNHQXDQSA-N	323.439	6.180	10	40	DKCB	
COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	3877669	QQQZGKVRDOCMAW-UHFFFAOYSA-N	300.361	5.140	10	40	DKCB	biogenic
CCCCN1c2cc(C)c(CNC(C)C)cc2C(C)=CC1(C)C	223822032	WKGXRPUZPSDLMC-UHFFFAOYSA-N	314.517	5.295	10	40	DKCB	
CCCOc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	408736208	LHVBJULZPBXVLR-LQWHRVPQSA-N	323.411	5.441	10	40	DKCB	
Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1	199744962	JHJAWCSIEGFKQP-UHFFFAOYSA-N	309.840	6.230	10	40	DKCB	
Fc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1	5244608	RSGILYIJFMEEDJ-DYXWJJEUSA-N	315.391	5.805	10	40	DKCB	
CC(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	6347650	CUCVWTAWCZXGRN-ZWOKBUDYSA-N	307.412	5.776	10	40	DKCB	
COc1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc1	58928551	FUEXLRYCFQIGHT-LQWHRVPQSA-N	305.421	5.139	10	40	DKCB	
Cc1ccc(/N=N\c2c(O)c(C(=O)O)cc3ccccc23)cc1C	104123541	MJNILCMODKARFO-MRCUWXFGSA-N	320.348	5.276	10	40	DKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(Nc2ccccc2)cc1	4048212	YVQZJVAKBGVSQT-UHFFFAOYSA-N	324.427	6.196	10	40	DKCB	
Cc1ccc(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1	13590726	KERQWSTXMMQOFT-XDHOZWIPSA-N	304.389	5.100	10	40	DKCB	
Cc1ccc2cc(C3=C/C(=C/c4ccc(C)o4)C(=O)O3)ccc2c1	408727252	ZGRFRZGRSDHKOJ-WQRHYEAKSA-N	316.356	5.031	10	40	DKCB	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21	4624369	ZPSCRYWKCOJMAB-PBFPGSCMSA-N	317.219	5.215	10	40	DKCB	
CC1CCN(C(=S)c2ccc(-c3ccccc3Cl)o2)CC1	8843390	VRFVJQOJVJCUJK-UHFFFAOYSA-N	319.857	5.007	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6347716	SKACCDVOSPLJSK-KUDFPVQQSA-N	307.412	5.776	10	40	DKCB	
Cc1ccc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1	199761101	DPKWSTXJJVPTHV-UHFFFAOYSA-N	301.311	5.472	10	40	DKCB	
O=Nc1ccc2ccccc2c1/N=N\c1ccccc1C(=O)O	17024026	NSUYBVWMAQVHSO-HNENSFHCSA-N	305.293	5.351	10	40	DKCB	
FC(F)(F)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	7096300	IWTCSXBKSOUBQM-JJRVBVJISA-N	315.338	5.532	10	40	DKCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409153295	HORKIEPNKBNOBU-GPMSIDNRSA-N	313.803	5.614	10	40	DKCB	
Cc1cc(N(C)C)cc(C)c1/C=C\c1ccnc2ccccc12	4774609	NDPZHQYNUPAZOH-KTKRTIGZSA-N	302.421	5.088	10	40	DKCB	
CCCCN1c2cc(C)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	223789470	PLYRNMZMNFZMPO-KRWDZBQOSA-N	316.533	5.385	10	40	DKCB	
Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(N(C)C)cc1	228979908	TZAOYRVNGUBOBW-UHFFFAOYSA-N	310.828	5.172	10	40	DKCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	409162023	CAPKRWWBGAWSLZ-CPUCHLNUSA-N	317.766	5.445	10	40	DKCB	
CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	16575964	DPUDYIKUGWRWSL-LQWHRVPQSA-N	307.412	5.776	10	40	DKCB	
CCCCN1c2ccc(CNC(C)C)cc2[C@H](C)CC1(C)C	260716855	GPYPCKXYQJMQJQ-MRXNPFEDSA-N	302.506	5.077	10	40	DKCB	
CC(C)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6347701	SSKCDDGPIKWCLM-CMKODMSKSA-N	307.412	5.776	10	40	DKCB	
CC(C)(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1	409167398	IMXRVLQQKVKXDZ-OPYAIIAOSA-N	321.439	5.950	10	40	DKCB	
Sc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	4774646	ABZVNGGVGDRLOC-UHFFFAOYSA-N	302.402	5.420	10	40	DKCB	
Cc1cc2nccc(/C=C\c3ccc(N(C)C)cc3)c2cc1C	17062565	PYIDCGUEJPNRCF-YVMONPNESA-N	302.421	5.088	10	40	DKCB	
CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	36082334	CLHKXPDZNXOJOI-LQWHRVPQSA-N	323.867	6.290	10	40	DKCB	
CC(C)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1	408741882	LSPTYWRVNSHIOG-GZTJUZNOSA-N	324.807	5.445	10	40	DKCB	
c1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccccc2)cc1	1446453	LDMYJRJLSGLBHW-UHFFFAOYSA-N	302.421	5.791	10	40	DKCB