smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)NN)C1	15424141	AOXHIZQORCYQEA-MRVPVSSYSA-N	303.409	0.772	50	40	DCGB	
O=C(CC(=O)N/N=C\c1ccc(O)cc1)NCc1cccnc1	58885208	KHZMCJLYVWLUCA-ODLFYWEKSA-N	312.329	0.944	50	40	DCGB	
O=C(Cc1ccccc1)NNC(=O)C[C@H]1SC(=O)NC1=O	1469861	MSRDVDHKRCPGQD-SECBINFHSA-N	307.331	0.118	50	40	DCGB	
CCOC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O	44979434	HUZKQXYETDURGR-LLVKDONJSA-N	321.333	0.774	50	40	DCGB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1	409379318	WAGDRPHILRCVGS-SNVBAGLBSA-N	313.379	0.086	50	40	DCGB	
CN(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccco2)C1	44917775	VBZLFZIHHQRVQQ-JTQLQIEISA-N	308.338	0.434	50	40	DCGB	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C(C#N)=C(N)N2	409087506	UOYLHLGOOISGBS-LLVKDONJSA-N	309.329	0.335	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(C(=O)O)cc1	59515820	LSZOSOJFDBFDOC-OPFCKLNOSA-N	319.317	0.130	50	40	DCGB	
O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccco1	3428489	NMMMJZNFTOZRQK-UHFFFAOYSA-N	312.285	0.520	50	40	DCGB	
O=C(NC(=S)NNC(=O)c1ccc(O)cc1O)c1ccco1	2373597	OMOOEDKQXCIWPF-UHFFFAOYSA-N	321.314	0.640	50	40	DCGB	
O=C(NNC(=S)NC(=O)c1cccnc1)c1cccnc1	2316356	CWKXDCDUWOQTQA-UHFFFAOYSA-N	301.331	0.426	50	40	DCGB	
CN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccn3)cc2C1=O	32975527	RXNOJHCJBZFFHH-UHFFFAOYSA-N	324.296	0.382	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)C1CCCCC1	104592948	KKTBVPLMEJSWNF-BENRWUELSA-N	307.350	0.551	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccco1	409386199	LNAOANQDULCQCY-UUAIRXRESA-N	306.274	0.085	50	40	DCGB	
NC(=O)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12	3238423	VFKBQLDSLOGTKV-PJQLUOCWSA-N	309.123	0.866	50	40	DCGB	
C/C(=N/NC(=O)c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O	13660571	QBPQJFYNJNEBNP-IUXPMGMMSA-N	302.290	0.231	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc([N+](=O)[O-])cc1C	252487859	ICSGIIFWJWXAAR-LHHJGKSTSA-N	323.288	0.431	50	40	DCGB	
C=CCc1cccc(/C=N/NC(=O)C[C@@H]2NCCNC2=O)c1O	55116688	GCJSMSQOVAMJTC-UZPSYVQNSA-N	316.361	0.049	50	40	DCGB	
O=C(CCN1C(=O)COc2ccccc21)NNC(=O)C1CC1	26969076	BBWHZIMYBNJQRC-UHFFFAOYSA-N	303.318	0.360	50	40	DCGB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)C(C)C)ccc21	5267787	YOYGVFVZJDMUNZ-UHFFFAOYSA-N	318.333	0.127	50	40	DCGB	
CN1C(=O)[C@@]2(Cc3ccccc3)SS[C@@]1(CO)C(=O)N2C	101174255	SJRIMIDQFZMJPZ-KGLIPLIRSA-N	324.427	0.939	50	40	DCGB	
O=S1(=O)C[C@@H]2N=C3S[C@@H](CBr)CN3[C@H]2C1	5224753	CWWYRCAKFSRBHT-ACZMJKKPSA-N	311.226	0.334	50	40	DCGB	
O=C(CCl)NCCS(=O)(=O)N1CCc2ccccc21	10875338	JMQXRLSAWLTAOU-UHFFFAOYSA-N	302.783	0.734	50	40	DCGB	
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NN)cc1	7070746	ONTNYBSASQCWGK-SECBINFHSA-N	301.368	0.132	50	40	DCGB	
C/C(=N\NC(=O)CCC(=O)NN)c1cc2ccccc2oc1=O	68601373	AKINYHKWTLRPAY-GIJQJNRQSA-N	316.317	0.403	50	40	DCGB	
COc1ccccc1N1CCN(C(=O)C(=O)NN=C(C)C)CC1	58885701	YVTGHNNVFKTZBB-UHFFFAOYSA-N	318.377	0.856	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)s1	4464199	OCRDEAMLLVDZKT-ACAGNQJTSA-N	322.306	0.427	50	40	DCGB	
O=C(NNC(=S)NC(=O)c1ccco1)c1cccc(O)c1	18194386	HCPKJDYMXZJILE-UHFFFAOYSA-N	305.315	0.935	50	40	DCGB	
CCCOc1ccc(NC(=O)COCC(=O)NNC(N)=O)cc1	199408395	ICESFGFZQRBZQY-UHFFFAOYSA-N	324.337	0.130	50	40	DCGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc[nH]c2=O)c1	12940949	RRKGVCYSVYTHQY-UHFFFAOYSA-N	315.329	0.832	50	40	DCGB	
O=C(O)[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]13)[C@H]2I	4530648	NHGLFZIQXAGSGN-LXTYMGNCSA-N	308.071	0.682	50	40	DCGB	
O=S(=O)(CCCl)CC[C@@H](O)S(=O)(=O)CCCl	100287542	YPKLASYHNLGXQO-ZETCQYMHSA-N	313.224	0.002	50	40	DCGB	
C=CCN1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21	101225000	XHKFRWZYLVAABP-VCWUSONZSA-N	308.812	0.508	50	40	DCGB	
O=C(COc1ccccc1C(=O)O)NNC(=O)c1ccncc1	4641502	LILRUPFCTZJUAP-UHFFFAOYSA-N	315.285	0.620	50	40	DCGB	
Cc1cc(C)nc(NNC(=O)c2cnc3ccccn3c2=O)n1	32900373	LBMLPANLJFZCGR-UHFFFAOYSA-N	310.317	0.858	50	40	DCGB	
CCc1ccc(C(=O)NN[C@H]2CC(=O)N(CCOC)C2=O)cc1	102228948	ZHVJLBPSJLJQBW-ZDUSSCGKSA-N	319.361	0.257	50	40	DCGB	
COCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	4453339	WKWMGSSKGYYUES-INIZCTEOSA-N	323.312	0.881	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccncc1	5670128	PNYQQNXBCVBDAN-KXNHARMFSA-N	301.302	0.366	50	40	DCGB	
N#CC(C#N)=Cc1c(N2CCOCC2)nc2ccccn2c1=O	553171	GYUPATBRQVNFFD-UHFFFAOYSA-N	307.313	0.962	50	40	DCGB	
CCOC(=O)[C@]1(NC(C)=O)C[C@](C)(CBr)OC1=O	35327432	KLNZAMIVBNUXGC-GHMZBOCLSA-N	322.155	0.525	50	40	DCGB	
CCOC(=O)/C(C#N)=C\NNC(=O)Cc1ccc([N+](=O)[O-])cc1	4546924	UHEOGSXNYWAOJC-LUAWRHEFSA-N	318.289	0.729	50	40	DCGB	
CCOC(=O)C[C@](O)(C(=O)OCC)[C@@H](CC)C(=O)OC(C)=O	100044576	IGBODGYRGPXUKE-IINYFYTJSA-N	318.322	0.350	50	40	DCGB	
Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccncc1)C(C#N)=C(N)O2	4305881	BFEIVHBKTRHTPE-AWEZNQCLSA-N	324.340	0.762	50	40	DCGB	
Cc1nc(S(=O)(=O)NNC(=O)c2ccsc2)cn1C	71285168	FHCJYKHQXQPDPR-UHFFFAOYSA-N	300.365	0.413	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1O	169310241	JEZDCPHWGIMNMF-WTTBSCSTSA-N	316.313	0.676	50	40	DCGB	
NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	40432	DMYUYRAHAWEPAD-JTQLQIEISA-N	303.771	0.483	50	40	DCGB	
CC(C)(C)NC(=O)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	4713752	BFEAIHMJICGEHX-UHFFFAOYSA-N	322.321	0.199	50	40	DCGB	
Cc1ccccc1N(C(=O)CCl)[C@@H]1CS(=O)(=O)C[C@H]1O	217385550	YMWIQHRMRNXCTF-VXGBXAGGSA-N	317.794	0.725	50	40	DCGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)CN1CCCC1=O	60795602	RHUSRGGUMDUTPW-UHFFFAOYSA-N	314.345	0.480	50	40	DCGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1	3059218	UUZJVWDYIWYNBZ-MHWRWJLKSA-N	303.318	0.546	50	40	DCGB	
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr	35604969	DYOYSHAEZJUKBT-MRVPVSSYSA-N	321.171	0.052	50	40	DCGB	
O=C(COc1ccccc1Cl)NNC(=O)c1cnccn1	196378	CLQMAPNVJMOZCV-UHFFFAOYSA-N	306.709	0.970	50	40	DCGB	
Cc1nn(C)c(C(=O)N(C)C)c1NC(=O)CBr	72220851	DBCMQTBRKWIDDK-UHFFFAOYSA-N	303.160	0.764	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3062033	CHCJJPSTZJKKAY-OQLLNIDSSA-N	308.294	0.198	50	40	DCGB	
NS(=O)(=O)c1ccc(CCNC(=O)NCCCl)cc1	3225608	CBTDZMPUVIULON-UHFFFAOYSA-N	305.787	0.415	50	40	DCGB	
COC(=O)CCC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	18192687	JWDBGKOYTKCRKC-UHFFFAOYSA-N	309.278	0.238	50	40	DCGB	
CN(CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1	78720230	CHLXAASDECSEHY-UHFFFAOYSA-N	313.361	0.932	50	40	DCGB	
CC1(C)OC(=O)C(=CNNC(=O)c2ccccc2O)C(=O)O1	4191218	QUHLUNUARRJMBJ-UHFFFAOYSA-N	306.274	0.347	50	40	DCGB	
O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1	5178618	GPPJGLFNCWELKD-UHFFFAOYSA-N	322.324	0.927	50	40	DCGB	
O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccccc1O	4702530	PKWCIPBKUKPOST-NTUHNPAUSA-N	310.287	0.996	50	40	DCGB	
CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CCl)cc1	7989022	PUXXOSDUKLRVCG-UHFFFAOYSA-N	304.755	0.366	50	40	DCGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CCl)cc1	3321978	FFFNLEFXSUTKKO-UHFFFAOYSA-N	304.755	0.432	50	40	DCGB	
C/C(=N/NC(=O)C(N)=O)c1cccc(NC(=O)C(F)(F)F)c1	4647172	GKSYXTHRCWBWPD-FXBPXSCXSA-N	316.239	0.513	50	40	DCGB	
COCCNC(=O)/C(C#N)=C/c1ccc2c(c1)n(C)c(=O)n2C	61720226	PVRHMFMSJXCKDD-XYOKQWHBSA-N	314.345	0.547	50	40	DCGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1	28214270	BYJHZIJKSNWMFM-RQZCQDPDSA-N	302.334	0.954	50	40	DCGB	
CC1(CC(=O)N/N=C/c2ccc(N3CCOCC3)o2)OCCO1	408995794	NKGROBDJNWGPDW-LFIBNONCSA-N	323.349	0.719	50	40	DCGB	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(c2ncccn2)C1	29884310	NUTBNBWEGIWRKF-LBPRGKRZSA-N	305.382	0.887	50	40	DCGB	
CCOC(=O)N/N=C\C1=NN(C(=O)OCC)[S@@](=O)[C@@H]1C	31894820	PPPFFCDWJZPICM-ZDOYQPSISA-N	304.328	0.599	50	40	DCGB	
NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2N1	253530799	BTENYQSCQYYTMW-WFLGSWMJSA-N	300.362	0.964	50	40	DCGB	
COc1cc(C[C@@H]2CC(C(=O)NN)=NO2)c(OC)c2c1OCO2	12418098	JISUJZMIVDHZFI-MRVPVSSYSA-N	323.305	0.110	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)[C@@H]2CCOC2)nc2ccccc21	66897316	BIDIUIIRRZFDQL-SNVBAGLBSA-N	302.334	0.300	50	40	DCGB	
NC(=O)N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1	409190497	OQQAJNBBRBLSFM-YIXHJXPBSA-N	307.295	0.866	50	40	DCGB	
NS(=O)(=O)c1ccc(NC(=S)NNC(=O)C2CC2)cc1	2743676	DDSVYKSVRKWQPW-UHFFFAOYSA-N	314.392	0.062	50	40	DCGB	
N#Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1	3257178	OEPYBEKSRDQVHV-UHFFFAOYSA-N	318.358	0.369	50	40	DCGB	
Cc1cccc(N(C(=O)CCl)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	40177665	NQJVOAILRYHKNM-VXGBXAGGSA-N	317.794	0.725	50	40	DCGB	
Cc1cnc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1	26964025	XCIIYCAGDAFALZ-UHFFFAOYSA-N	300.274	0.589	50	40	DCGB	
CCn1ncc(/C=N/NC(=O)Cn2cc([N+](=O)[O-])cn2)c1F	252491776	LSUQITYDKKIXGH-QLKAYGNNSA-N	309.261	0.297	50	40	DCGB	
C[C@H](Br)C(=O)Nn1c(=O)[nH]c2ccccc2c1=O	6411820	KJQFYPWMVUBPBZ-LURJTMIESA-N	312.123	0.543	50	40	DCGB	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccco2)c1	44867176	RJKPIDYPDCMYQS-UHFFFAOYSA-N	308.315	0.758	50	40	DCGB	
CC(C)(C)C(=O)N/N=C/C(=C\NNC(=O)C(C)(C)C)[N+](=O)[O-]	4784176	RTNLYRBVBYELKA-KZVYIGENSA-N	313.358	0.920	50	40	DCGB	
O=C1NC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@@H](Br)[C@H]1Br	103114368	AHULPADMYFKORI-XJTPDSDZSA-N	324.956	0.183	50	40	DCGB	
Cc1ccccc1N(C(=O)CCl)[C@@H]1CS(=O)(=O)C[C@@H]1O	217385390	YMWIQHRMRNXCTF-NEPJUHHUSA-N	317.794	0.725	50	40	DCGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCC(=O)O	13747265	ILADHWQQDWTLMX-LNKIKWGQSA-N	301.686	0.814	50	40	DCGB	
COC(=O)/C=C1\SC(NNC(=O)c2ccccc2)=NC1=O	100115388	LUVSSBPIBSWFHX-CLFYSBASSA-N	305.315	0.607	50	40	DCGB	
COC(=O)/C=C1/SC(NNC(=O)c2ccccc2C)=NC1=O	4700683	QCJDJUOPKBCPSU-JXMROGBWSA-N	319.342	0.916	50	40	DCGB	
O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(F)cc1	59459493	GGZGDNIMCJURFX-VXLYETTFSA-N	300.293	0.987	50	40	DCGB	
COc1ccccc1N(CC(=O)NN=C(C)C)S(C)(=O)=O	408908919	YYDGLVQHEVHIHZ-UHFFFAOYSA-N	313.379	0.973	50	40	DCGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(O)nn1	22759915	NMSAIMJPLNQOQE-QMMMGPOBSA-N	320.280	0.550	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1	100557769	OIQGZWBQLJOIID-RVMXOQNASA-N	300.314	0.971	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@]2(C)[C@H]1C(=O)N(C)C(=O)N2C	245240137	OKVUJYVTWDTXOQ-RULNRJAQSA-N	307.306	0.460	50	40	DCGB	
N#CC1=C[C@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@]([N+](=O)[O-])(C1)C2	4753913	QTJPZSFFVNEZHH-NEPJUHHUSA-N	310.266	0.051	50	40	DCGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccncc1	569237	TUHBJJRMICZQGW-UHFFFAOYSA-N	316.273	0.830	50	40	DCGB	
O=C1O[C@@H]2[C@H]3CC[C@@H]([C@@H]1[C@H]3CO)[C@H]2I	103926714	OESYYIHPXWILPL-ZQBLYPSISA-N	308.115	0.980	50	40	DCGB	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1	4392929	ODSLJBVYEAWABC-NSHDSACASA-N	310.375	0.581	50	40	DCGB	
O=C(CCN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])cc1	19890413	WSDHGQAMXKHRFR-RVDMUPIBSA-N	306.322	0.767	50	40	DCGB	
Cc1cn(CO[C@H](CCl)CBr)c(=O)[nH]c1=O	101034019	ZWIXBAHQGPEITR-ZETCQYMHSA-N	311.563	0.821	50	40	DCGB	
COCC1=C(C(=O)OC)[C@H](c2cccnc2)C(C#N)=C(N)O1	4320359	SXOAMDJUTHGNNI-GFCCVEGCSA-N	301.302	0.963	50	40	DCGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	4392080	LOUCJWGZWNADQC-RPHSKFLZSA-N	320.370	0.905	50	40	DCGB	
CCCn1nc(C(=O)NNc2nc(C)cc(C)n2)ccc1=O	22233754	IGSNPEDXYFENIS-UHFFFAOYSA-N	302.338	0.817	50	40	DCGB	
CCOC(=O)c1cc(C(=O)OCC)c(NNC(C)=O)nc1O	1401516	GNYAZUUNMVSOSH-UHFFFAOYSA-N	311.294	0.604	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CCN2CCOCC2)c(OC)c1	27062361	NZTZFBVWOPFLRT-SFQUDFHCSA-N	321.377	0.876	50	40	DCGB	
CC(C)C(=O)NNC(=O)Cc1csc(NC(=O)C2CC2)n1	32673761	DNHLEHJXIPTPAG-UHFFFAOYSA-N	310.379	0.838	50	40	DCGB	
CCCC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12	12985302	WBTLHCULWOVADH-UHFFFAOYSA-N	302.334	0.978	50	40	DCGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccn2)c1C	8729236	GVBFZSNJLLRNJX-UHFFFAOYSA-N	316.317	0.888	50	40	DCGB	
C[C@@H]1N=c2ccccc2=C1/C=N/NC(=O)c1[nH]nc2c1CCCC2	18061211	BDQXJJKLJUVBFX-VSMYLPJWSA-N	321.384	0.877	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1c[nH]c2ccccc12	3083586	KGHKMDAVPTZSFY-DKSCHZSNSA-N	314.345	0.913	50	40	DCGB	
C/C(=N\NC(=O)[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1	5024043	OYYTXOPZCMNRHD-GFQQVXNGSA-N	304.306	0.961	50	40	DCGB	
C=CCc1cccc(/C=N/NC(=O)C[C@H]2NCCNC2=O)c1O	55116686	GCJSMSQOVAMJTC-BUESGFEBSA-N	316.361	0.049	50	40	DCGB	
N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc[nH]c1=O	12891244	KVENBMCKWOSDML-UHFFFAOYSA-N	312.285	0.087	50	40	DCGB	
COC(=O)C1=C(C)NC(=O)[C@]12C(C#N)=C(N)Oc1ccccc12	4517195	ORMOFXLCHVYAOO-MRXNPFEDSA-N	311.297	0.587	50	40	DCGB	
O=C(Cc1ccccc1)NNC1=NS(=O)(=O)c2ccccc21	337882	UDKAZJVFNVBDCH-UHFFFAOYSA-N	315.354	0.999	50	40	DCGB	
COCCNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F	4838947	XOQHPNBVNULJOQ-QGMBQPNBSA-N	317.267	0.918	50	40	DCGB	
O=C(COC(=O)c1ccccn1)NNC(=O)c1ccccc1F	5693004	PNEGOQZTGSMTAM-UHFFFAOYSA-N	317.276	0.839	50	40	DCGB	
O=C(O)/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	3766634	JQCLOXWLBJDKMQ-VOTSOKGWSA-N	300.274	0.479	50	40	DCGB	
C/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)N=C1O	4811797	KEKWJWPDJDODOO-UHFFFAOYSA-N	304.262	0.107	50	40	DCGB	
N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])o1	2267255	GLYAPSBRWLIHKY-ZETCQYMHSA-N	317.217	0.195	50	40	DCGB	
O=C(CCN1CCOCC1)N/N=C1/C(=O)Nc2ccccc21	18142029	LHURMMOJBJOYFR-UHFFFAOYSA-N	302.334	0.181	50	40	DCGB	
NNC(=O)CS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21	2526694	OAAWZHMRILBKGI-MRVPVSSYSA-N	317.348	0.146	50	40	DCGB	
N#CCC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	2064475	FSBPAEBHDUWDBL-UHFFFAOYSA-N	307.291	0.144	50	40	DCGB	
COCC1=C(C(=O)OC)[C@@H](c2cccnc2)C(C#N)=C(N)O1	4320360	SXOAMDJUTHGNNI-LBPRGKRZSA-N	301.302	0.963	50	40	DCGB	
Cc1cc(OCC(=O)NNC(=O)COc2cccc(F)c2)no1	7062735	HXWYIQIDPPFRIE-UHFFFAOYSA-N	323.280	0.727	50	40	DCGB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NN)c(C)c1	211717453	LHVHPGYGYOOOMW-UHFFFAOYSA-N	315.395	0.394	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1C	28196637	ATSDLRNLNDKUKH-UHFFFAOYSA-N	316.335	0.721	50	40	DCGB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NN	408608772	PQLMYWAASHPSCZ-LURJTMIESA-N	307.759	0.005	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1	16694131	ABCUKJUHVYCACF-POHAHGRESA-N	309.285	0.648	50	40	DCGB	
COc1ccc(CC(=O)NNC(=O)CSc2ncn[nH]2)cc1	18191283	HQQNXANNALEBOJ-UHFFFAOYSA-N	321.362	0.296	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccco1	33657825	LNAOANQDULCQCY-KODWOLAFSA-N	306.274	0.085	50	40	DCGB	
CCc1ccc(C(=O)NN[C@@H]2CC(=O)N(CCOC)C2=O)cc1	3375146	ZHVJLBPSJLJQBW-CYBMUJFWSA-N	319.361	0.257	50	40	DCGB	
Cc1cc(C)nc(NNC(=O)Cn2ncc3ccccc3c2=O)n1	12984449	BOYKRYUHWONQAH-UHFFFAOYSA-N	324.344	0.947	50	40	DCGB	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)C1CC1	97574867	UZWYRZCEJZLJPJ-GHMZBOCLSA-N	307.350	0.109	50	40	DCGB	
Nc1no[n+]([O-])c1C(=O)N/N=C/c1ccc(Cl)cc1Cl	326239	SWIJVQAREUXLCY-LNKIKWGQSA-N	316.104	0.961	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3009224	XMJIAOQDAYVUDN-WIJRQFRKSA-N	320.305	0.340	50	40	DCGB	
COc1ccc(SSc2ccc(OC)n[n+]2[O-])[n+]([O-])n1	1565756	QDHYMIIKHPOPCN-UHFFFAOYSA-N	314.348	0.560	50	40	DCGB	
O=C(NNC(=S)NC(=O)c1cccs1)c1cnccn1	2256025	VZTSGBBMTJUHKT-UHFFFAOYSA-N	307.360	0.487	50	40	DCGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cc[nH]n1	5126262	XCQNNDOQWCTGOQ-ZDUSSCGKSA-N	318.289	0.531	50	40	DCGB	
CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1	14197654	MTSQEQKULJUSME-GFCCVEGCSA-N	305.334	0.270	50	40	DCGB	
COc1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)c(OC)c1	17784098	ZLCGVZLZFFYNDD-OVCLIPMQSA-N	304.306	0.825	50	40	DCGB	
CC(=O)NNC(=S)N/C=C1\C(=O)Oc2ccccc2C1=O	104300780	ZFYOAPBVNRZGCE-TWGQIWQCSA-N	305.315	0.187	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	30529831	SHQCOUYRYVFXPJ-UHFFFAOYSA-N	303.296	0.843	50	40	DCGB	
COC(=O)[C@H]1CN(C(=O)CCl)CCN1C(=O)OC(C)(C)C	79419914	JNMFXNMZAZAYOK-SECBINFHSA-N	320.773	0.846	50	40	DCGB	
Cn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O	6053753	MZJLPPSTBCVBAQ-UHFFFAOYSA-N	306.709	0.509	50	40	DCGB	
C[C@@H](/C=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccccc1	3902473	WYJRTVORYZBWJO-JSJZUPIVSA-N	315.333	0.297	50	40	DCGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	5774782	MIPJVDLYQSVJIL-MHWRWJLKSA-N	318.358	0.510	50	40	DCGB	
CN(C)NC(=O)NC[C@H]1C[C@H](CNC(=O)NN(C)C)C1(C)C	5415718	MEUXTLLDBSNSJN-GHMZBOCLSA-N	314.434	0.200	50	40	DCGB	
CN1C(=O)C(=CNNC(=O)c2ccccc2)C(=O)N(C)C1=S	5982159	HQWCVSOKZDLVEU-UHFFFAOYSA-N	318.358	0.020	50	40	DCGB	
C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)NC(C)(C)C	13286174	UHNUILNJIHYWQL-VXLYETTFSA-N	319.365	0.817	50	40	DCGB	
Cc1ccc(C(=O)N/N=C\c2ccc(S(=O)(=O)O)o2)cn1	4480117	ZNUQNXOOBKARIY-AUWJEWJLSA-N	309.303	0.994	50	40	DCGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NC(N)=O	409228105	UDFRWSHPZYLXCW-BAQGIRSFSA-N	320.261	0.714	50	40	DCGB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	32859650	IUZMCBQYXNRWLH-KCJUWKMLSA-N	321.289	0.555	50	40	DCGB	
O=C(NNC(=O)C1CC1)c1cccc(NC(=O)[C@H]2CCCO2)c1	29509647	ZSBXACCTNKXGDQ-CYBMUJFWSA-N	317.345	0.975	50	40	DCGB	
C[C@H]1CN(c2ccc(C(=O)NNC(=O)C3CC3)cn2)C[C@H](C)O1	30018317	WTOOQTXDYMQNAE-QWRGUYRKSA-N	318.377	0.866	50	40	DCGB	
Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O	10025268	GHAMQPHJICBZQV-FRKPEAEDSA-N	320.736	0.501	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1O	4181155	CXJWJNCPOMRTPN-VIZOYTHASA-N	321.362	0.917	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CNC(=O)n2ccnc2)cc1	13216107	BZBXYBQCBRIOQN-CAOOACKPSA-N	301.306	0.600	50	40	DCGB	
COc1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1	260883	WBGHOFGZIVLQMV-UHFFFAOYSA-N	301.302	0.930	50	40	DCGB	
O=C(NNC(=O)c1cc2c(cc1O)CCCC2)C(=O)NC1CC1	65617093	XFIFXGQBOOLGLK-UHFFFAOYSA-N	317.345	0.311	50	40	DCGB	
O=C(CCn1cccc1)NNC(=O)[C@@H]1COc2ccccc2O1	73397952	CDHZCBJUQGVGJJ-AWEZNQCLSA-N	315.329	0.866	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)ccc1O	3059300	BBXCWGKMQKFJLY-MHWRWJLKSA-N	305.334	0.863	50	40	DCGB	
COCCNC(=S)NNC(=O)COc1ccc(Cl)cc1	7062237	HBYKUUXJGWZBJG-UHFFFAOYSA-N	317.798	0.861	50	40	DCGB	
COCCOc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1	26532685	RZTHQVSXCDKXST-UHFFFAOYSA-N	316.379	0.677	50	40	DCGB	
CC(C)C[C@@H](Br)C(=O)NCC(=O)NCC(=O)O	5759914	ZBXSVQJKCGZRKV-SSDOTTSWSA-N	309.160	0.113	50	40	DCGB	
O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl	9930808	WNOPDVOXXWRDAS-MRVPVSSYSA-N	316.766	0.536	50	40	DCGB	
O=S1(=O)C[C@H](Cl)[C@H](N[C@@H]2Nc3ccccc3NO2)C1	575422240	UCYHATZOCRODGM-XROYCOCOSA-N	303.771	0.733	50	40	DCGB	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccncc1	5173754	SAWSIYSPCQOTFH-UHFFFAOYSA-N	300.274	0.994	50	40	DCGB	
Cc1cc(C(=O)NNC(=S)NC2CC2)c2c(C)nn(C)c2n1	17054659	FXBBASUGPYFQFY-UHFFFAOYSA-N	318.406	0.856	50	40	DCGB	
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1	9428922	LZJFXMUXSZGUNF-UHFFFAOYSA-N	308.812	0.820	50	40	DCGB	
O=C(CN1CCOCC1)N/N=C/c1ccc2c(c1)CCCO2	95470856	PFMNONJQYAZYGZ-GZTJUZNOSA-N	303.362	0.794	50	40	DCGB	
COc1ccc(-n2nnnc2CNC(=O)NCCCl)cc1	9571373	QXELKLQMHIQZCD-UHFFFAOYSA-N	310.745	0.709	50	40	DCGB	
COc1ccc(OCC(=O)NNC(=O)c2cccnc2O)cc1	12794269	XNODIAXADBRQGB-UHFFFAOYSA-N	317.301	0.636	50	40	DCGB	
O=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)c1ccccn1	8196942	BZOGAHPEKKVVOS-MDZDMXLPSA-N	324.340	0.672	50	40	DCGB	
O=C(CN1CCCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	16442055	TYKKTMGYIFJQAQ-UHFFFAOYSA-N	306.322	0.842	50	40	DCGB	
CCN(CC)CCCNC(=S)NNC(=O)c1ccncc1	10037829	APYASNOVMFFUOV-UHFFFAOYSA-N	309.439	0.922	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccncc1	221873939	PNYQQNXBCVBDAN-FIQHERPVSA-N	301.302	0.366	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc2c(c1)OCO2	59459659	FAJDZLHJJVYMIJ-RQZCQDPDSA-N	321.333	0.408	50	40	DCGB	
COC(=O)c1cc(B(O)O)cnc1O[C@@H](C)c1ccncc1	202744728	VUAVHFSIAHXMGA-VIFPVBQESA-N	302.095	0.083	50	40	DCGB	
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	8428157	KOZXPZQYHAJRLQ-UHFFFAOYSA-N	320.773	0.897	50	40	DCGB	
O=C(CN1CCCc2ccccc21)NNC(=O)c1cnccn1	17402238	MKZAVIBKJQTKFY-UHFFFAOYSA-N	311.345	0.690	50	40	DCGB	
CCNC(=S)NNC(=O)c1ccc(N2CCCC2=O)cc1	2650332	GJVXMMIYYQGYQZ-UHFFFAOYSA-N	306.391	0.942	50	40	DCGB	
CCOC(=O)N/N=C/C1=NN(C(=O)OCC)[S@](=O)[C@@H]1C	5845053	PPPFFCDWJZPICM-YYUHWWOESA-N	304.328	0.599	50	40	DCGB	
CCn1cc(S(=O)(=O)NNC(=O)c2cc(C3CC3)n[nH]2)cn1	71280105	MCVFQKKXPCHHRU-UHFFFAOYSA-N	324.366	0.127	50	40	DCGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1	7812053	YRAMMIJHCIZPMW-HVOBPNNYSA-N	319.361	0.831	50	40	DCGB	
C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccccc1)CS2	12863469	PKZTYOCHIZEWDT-NHYWBVRUSA-N	319.386	0.902	50	40	DCGB	
Cc1c(S(=O)(=O)NNC(=O)c2ccccc2O)cnn1C	71284491	RTRNEOGRVGKCPA-UHFFFAOYSA-N	310.335	0.057	50	40	DCGB	
O=C(COc1ccccc1)NNC(=O)c1ccc(O)cc1O	5947455	FOEFDIQNOPORML-UHFFFAOYSA-N	302.286	0.938	50	40	DCGB	
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1	4392931	ODSLJBVYEAWABC-LLVKDONJSA-N	310.375	0.581	50	40	DCGB	
COc1ccc(OCC(=O)NNC(=O)c2cccn2C)cc1	70695240	ZTDUJPTTZWRZBO-UHFFFAOYSA-N	303.318	0.874	50	40	DCGB	
C[C@H](/C=N/NC(=O)CNc1nnc(O)nc1O)c1ccccc1	13638498	OBJBBUMAIIQXIZ-UHDDOIDHSA-N	316.321	0.600	50	40	DCGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc1	33564692	URNFOESTWLYNMS-FPLPWBNLSA-N	319.317	0.683	50	40	DCGB	
O=C(O)[C@@H]1[C@H](Br)[C@H](Br)[C@H]1C(=O)O	5029331	ZDVZNQUAYWNJPX-LLEIAEIESA-N	301.918	0.929	50	40	DCGB	
COc1cc([C@@H]2ON=C(C(=O)NN)[C@@H]2C)c(OC)c2c1OCO2	12417211	XIKBMHCYNKOVMP-QUBYGPBYSA-N	323.305	0.486	50	40	DCGB	
O=S1(=O)C[C@H]2N=C3S[C@H](CBr)CN3[C@@H]2C1	222033610	CWWYRCAKFSRBHT-FSDSQADBSA-N	311.226	0.334	50	40	DCGB	
O=C(NNS(=O)(=O)c1cccnc1)c1cc(C2CC2)n[nH]1	71282248	MXRRURUTMUYSPX-UHFFFAOYSA-N	307.335	0.305	50	40	DCGB	
CC(C)C(=O)N/N=C(\N)[C@H](C)N1C(=O)c2ccccc2C1=O	95951402	DOJWWVBVPFNAPJ-VIFPVBQESA-N	302.334	0.716	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1ccc2c(c1)COC2=O	101159890	OVBSJSJFUBEEDT-XDHOZWIPSA-N	310.269	0.621	50	40	DCGB	
CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	13623451	DJUSQODXKACXOV-GFCCVEGCSA-N	320.418	0.550	50	40	DCGB	
CCN(CC)CCCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1	40177686	KAJKLSVCYHYGJI-LBPRGKRZSA-N	324.874	0.973	50	40	DCGB	
COC(=O)C[C@@H]1SC(=O)N/C1=N/NC(=O)c1ccncc1	15057107	ZMNOUZPEIQWXCM-QMMMGPOBSA-N	308.319	0.513	50	40	DCGB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)NN)cc1	408526405	BDBKXUOJHBQTSR-UHFFFAOYSA-N	301.368	0.134	50	40	DCGB	
Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1	4713749	KOJFJGUUPRNXIV-UHFFFAOYSA-N	307.350	0.436	50	40	DCGB	
O=C(NNC(=O)c1ccco1)c1ccc(N2CCOCC2)nc1	22005176	MWINPZRMMFESHV-UHFFFAOYSA-N	316.317	0.586	50	40	DCGB	
COC(=O)c1cc(NC(=O)NNC(C)=O)cc(C(=O)OC)c1	21985075	CTZCWECFXHMGFF-UHFFFAOYSA-N	309.278	0.432	50	40	DCGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1	191568	BBDPIFDILLAIKY-OVCLIPMQSA-N	318.362	0.974	50	40	DCGB	
COC(=O)C(C(=O)OC)C1=NC[C@H](Br)CS1	5605480	YTOLZWYWNOVVQC-YFKPBYRVSA-N	310.169	0.857	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3009220	XMJIAOQDAYVUDN-GGNJANJASA-N	320.305	0.340	50	40	DCGB	
CCOC(=O)NC(=O)/C(C#N)=C/N[C@@H](CO)Cc1ccccc1	100219617	YMKQBLUGXVVXKB-JWAFFJSPSA-N	317.345	0.860	50	40	DCGB	
O=C(CCl)Nn1cnc2c(cnn2-c2ccccc2)c1=O	10251080	DVGMDUQMMGPTLK-UHFFFAOYSA-N	303.709	0.891	50	40	DCGB	
NC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1	28214287	HDAYRDLZWMICHE-VCHYOVAHSA-N	318.377	0.487	50	40	DCGB	
CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(N)=O	409216097	IAWXKIUMMSRJOU-WDZFZDKYSA-N	303.318	0.602	50	40	DCGB	
CCOC(=O)CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	4698880	ZJLYJMWYSZMMNU-UHFFFAOYSA-N	309.278	0.699	50	40	DCGB	
C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccncc1)c1ccncc1	5890090	YDYRCUBYAPFYKG-AYKLPDECSA-N	324.344	0.857	50	40	DCGB	
COC(=O)C1=C(C(=O)OC)[C@](Cc2ccccc2)(OO)OC1=O	73242634	AXULXPISEVVHIP-HNNXBMFYSA-N	322.269	0.614	50	40	DCGB	
O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1F	3061888	AFJWWBYOEMZZEJ-VXLYETTFSA-N	300.293	0.987	50	40	DCGB	
O=S1(=O)C[C@H]2N=C3S[C@H](CBr)CN3[C@H]2C1	5224835	CWWYRCAKFSRBHT-QYNIQEEDSA-N	311.226	0.334	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1C(=O)O	4904646	HTUMXDFQGDMMNE-SXGUVYOMSA-N	319.317	0.130	50	40	DCGB	
CCNC(=S)NNC(=O)c1cccc(S(C)(=O)=O)c1	41957786	WFWIANQVZDJOGG-UHFFFAOYSA-N	301.393	0.219	50	40	DCGB	
C=CCNC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	100170642	DQAFLSOTUMKUOY-DLXYEPTOSA-N	300.152	0.860	50	40	DCGB	
Cc1cc([N+](=O)[O-])nn1CCC(=O)N/N=C/c1ccn(C)n1	2785751	FTZGRDGHLJZFOF-MDWZMJQESA-N	305.298	0.374	50	40	DCGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(=O)[nH]c2)c1	5178120	RXOOFLHJPLVBLB-UHFFFAOYSA-N	301.302	0.523	50	40	DCGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(N)=O	3575401	QRUNUTHEYAHJQR-WLRTZDKTSA-N	300.112	0.393	50	40	DCGB	
C[C@]1(C(=O)NNC(=O)c2ccc(=O)oc2)C[C@H]1Br	2293073	XMYPLAYZCHLORV-HQJQHLMTSA-N	315.123	0.574	50	40	DCGB	
CC(=O)N1CN(C(C)=O)[C@@H](OCCCl)[C@@H]1OCCCl	4680763	LXYITCAWFVWXOI-QWRGUYRKSA-N	313.181	0.818	50	40	DCGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1	5513905	WWTWHKNHWMCSLQ-UHFFFAOYSA-N	307.331	0.714	50	40	DCGB	
COc1cc(F)c(S(=O)(=O)NNC(=O)C(C)C)cc1OC	26532701	QNAAJHPBFFUGDG-UHFFFAOYSA-N	320.342	0.808	50	40	DCGB	
C=CCNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	100170648	DQAFLSOTUMKUOY-JQRWTQJCSA-N	300.152	0.860	50	40	DCGB	
CC1(C)O[C@H]2O[C@@H](CI)[C@@H](O)[C@H]2O1	4775262	DCKHXMRAJOEGMI-BDVNFPICSA-N	300.092	0.659	50	40	DCGB	
COCCNC(=S)NNC(=O)COc1ccccc1OC	7062296	QXTQRWPUPJTGQT-UHFFFAOYSA-N	313.379	0.216	50	40	DCGB	
CC(=O)NNC(=S)N/C=C(/C(C)=O)C(=O)Nc1ccccc1	104305452	IIOMVUZDDLXLQD-WQLSENKSSA-N	320.374	0.613	50	40	DCGB	
O=C(Cn1c(=O)oc2ccccc21)NNC(=O)C1CCCC1	96998099	SBEGOMJJUJBONK-UHFFFAOYSA-N	303.318	0.932	50	40	DCGB	
N#CC1=C(N)O[C@@]2(N3CCOCC3)CCCC[C@@H]2C1(C#N)C#N	19931938	VTMMTIMMPSNWFI-CJNGLKHVSA-N	313.361	0.963	50	40	DCGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1	26967086	WANBHHVBJBKPCQ-LBPRGKRZSA-N	301.346	0.905	50	40	DCGB	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(=O)[nH]n1	6650317	WQKZVKGWXPPLLX-UHFFFAOYSA-N	324.300	0.235	50	40	DCGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(N)=O)C(=O)NC2=S)cc1	408753650	GZCBCGKTEGIBLM-PHKJPBFMSA-N	319.346	0.013	50	40	DCGB	
O=C(c1cccc(B(O)O)c1)N1C[C@@H](F)C[C@H]1C(F)(F)F	1515101913	WSGXVVZVWXMIRJ-UWVGGRQHSA-N	305.036	0.481	50	40	DCGB	
CCc1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1	575422012	KHAZCHUUWJMYFA-WDSKDSINSA-N	324.815	0.626	50	40	DCGB	
O=C(NCc1ccccc1)C(=O)NNC(=O)c1cccs1	4833057	PVCWMSADYWPTMY-UHFFFAOYSA-N	303.343	0.826	50	40	DCGB	
COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OCC#N	2188545	XDOJBLHMGUEXEQ-FRKPEAEDSA-N	316.277	0.327	50	40	DCGB	
COCC(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCCO2	100522795	YENHGUFQEINNEU-LICLKQGHSA-N	321.333	0.925	50	40	DCGB	
CCOc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1O	3045140	IGXBHOWEOXILSD-VIZOYTHASA-N	321.362	0.917	50	40	DCGB	
CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(CCCC)C1=O	2273898	IIVGYYQQJCGIHQ-MDZDMXLPSA-N	310.354	0.560	50	40	DCGB	
COCCNC(=S)NNC(=O)c1c(C)nc2ccccn12	7502154	IDAIMSGEXLRCRZ-UHFFFAOYSA-N	307.379	0.398	50	40	DCGB	
CC(=O)NNC(=O)COC(=O)Cc1ccccc1C(F)(F)F	65621685	OZXKHBCKJFKWPB-UHFFFAOYSA-N	318.251	0.958	50	40	DCGB	
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCCl	4314854	UCTNTVIGUVQZQQ-UHFFFAOYSA-N	321.562	0.815	50	40	DCGB	
CCOC(=O)CNC(=O)NNC(=O)COc1ccc(CC)cc1	2532774	JHVKWOFKSPWJOG-UHFFFAOYSA-N	323.349	0.521	50	40	DCGB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1ccc(O)cc1O	539224	OGYCRKGLFBQVCS-MKMNVTDBSA-N	319.277	0.661	50	40	DCGB	
CC(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1	2064491	XKOAUYGUSAMJBZ-UHFFFAOYSA-N	312.307	0.015	50	40	DCGB	
CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(CCCC)C1=O	2273897	IIVGYYQQJCGIHQ-KTKRTIGZSA-N	310.354	0.764	50	40	DCGB	
Cc1c(S(=O)(=O)NNC(=O)c2cccc(O)c2)cnn1C	71286381	PHEYRUBHVPXFEK-UHFFFAOYSA-N	310.335	0.057	50	40	DCGB	
CCOC(=O)/C=C/C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	4195870	WYIQBRRTNKDLCJ-VOTSOKGWSA-N	307.262	0.475	50	40	DCGB	
C[C@@H](C(=O)NN)S(=O)(=O)c1ccc(Br)cc1	95929487	ATPKXYKKBINKEQ-LURJTMIESA-N	307.169	0.601	50	40	DCGB	
COCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(N)=O	100539665	FGZQCOFLVBDTBO-RQZCQDPDSA-N	306.322	0.253	50	40	DCGB	
CC(=O)NNC(=O)CSc1nnc(C)n1C[C@H]1CCCO1	421005	UXXVWLSRQVMEGT-SNVBAGLBSA-N	313.383	0.025	50	40	DCGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)CCn1ccc([N+](=O)[O-])n1	2782891	AXXOTNBJAFHCTG-RIYZIHGNSA-N	319.325	0.682	50	40	DCGB	
NC(=O)N/N=C\C(Br)=C(\Br)C(=O)O	4523338	LAXIMGVCGOEVAN-GTUOBBGESA-N	314.921	0.727	50	40	DCGB	
CN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2O)C1=O	34236592	LVFFEVSKEYDKFI-VURMDHGXSA-N	304.262	0.059	50	40	DCGB	
O=C(O)/C=C/C(=O)NNc1ncnc2ccc([N+](=O)[O-])cc12	12854566	NOKRAKVRJUBWSH-ONEGZZNKSA-N	303.234	0.622	50	40	DCGB	
NNC(=O)CS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21	4286909	OAAWZHMRILBKGI-QMMMGPOBSA-N	317.348	0.146	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)Cc2nonc2N)c1	5916191	HUQFQGGDMKZOAP-VIZOYTHASA-N	305.294	0.362	50	40	DCGB	
Cc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)[nH]1	7604761	ZVBLRWMRTVVBBH-UHFFFAOYSA-N	305.363	0.595	50	40	DCGB	
Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1ccccc1O	536401	HPFVOKCYGIAMHU-VGOFMYFVSA-N	303.278	0.956	50	40	DCGB	
CC(=O)NNC(=S)N/C=C\c1nc2ccccc2[nH]c1=O	5724429	JRBGCLNYFSFHBL-SREVYHEPSA-N	303.347	0.409	50	40	DCGB	
COC(=O)C=C1SC(=NNC(=O)c2ccccc2)NC1=O	2040465820	LUVSSBPIBSWFHX-UHFFFAOYSA-N	305.315	0.607	50	40	DCGB	
O=C(/C=C1\SC(=O)N=C1O)NNC(=O)c1ccccc1O	100154384	ZXAIMBDZCMVROU-YVMONPNESA-N	307.287	0.860	50	40	DCGB	
CC1=CC(=O)/C(=C(/C)NNC(=O)c2ccccc2O)C(=O)O1	102439144	CGWRIXUHTHACMD-UKTHLTGXSA-N	302.286	0.930	50	40	DCGB	
O=C(COCC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1	3142459	WTZRXEFJJFJJNB-BGPOSVGRSA-N	318.289	0.490	50	40	DCGB	
Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCl	10049438	DSWJYHXGLGTFCN-UHFFFAOYSA-N	323.784	0.932	50	40	DCGB	
COc1ccc(/C=N/NC(=O)Cc2nonc2N)c(OC)c1	5720334	GFEIELXFUQQYAB-VIZOYTHASA-N	305.294	0.362	50	40	DCGB	
CCCC(=O)NNC(=O)Cc1nnc(NC(=O)CCC)s1	6655498	NEKRKATYQISNAO-UHFFFAOYSA-N	313.383	0.767	50	40	DCGB	
O=S1(=O)C[C@H](S(=O)(=O)Oc2ccccc2)[C@H](Cl)C1	5684355	RNKHZWKCHZWTDD-ZJUUUORDSA-N	310.780	0.800	50	40	DCGB	
Cn1nccc1C(=O)NC(=S)NNC(=O)Cc1cccs1	2100400	XCILMYCXFZIFOL-UHFFFAOYSA-N	323.403	0.360	50	40	DCGB	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1	30578867	AONMMUVFXQDKII-SNVBAGLBSA-N	321.333	0.825	50	40	DCGB	
CN(C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1	8049017	BCJQJGQPLFFMSB-UHFFFAOYSA-N	305.787	0.601	50	40	DCGB	
CC(=O)NNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3	23198711	CYYCXHYAOFTCJI-UHFFFAOYSA-N	316.313	0.828	50	40	DCGB	
CCN(CCCl)/N=N\c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1	104368817	KCASYGRDTNUPJX-NXVVXOECSA-N	313.749	0.520	50	40	DCGB	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc[nH]c1=O	9338338	XIDKMIBUZCEPSA-UHFFFAOYSA-N	323.312	0.635	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)[C@H]2CCOC2)nc2ccccc21	66897318	BIDIUIIRRZFDQL-JTQLQIEISA-N	302.334	0.300	50	40	DCGB	
Nc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O	100597347	GIWJOFDZKIUWJK-AWEZNQCLSA-N	324.340	0.835	50	40	DCGB	
CC(=O)NNC(=O)CSc1nnnn1-c1ccc(F)cc1	410559	LCWDUOPORYRCPH-UHFFFAOYSA-N	310.314	0.061	50	40	DCGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O	59377003	WEBWKKASKGUGJU-MKMNVTDBSA-N	314.139	0.741	50	40	DCGB	
COc1c(C[C@@H]2CC(C(=O)NN)=NO2)cc2c(c1OC)OCO2	12418019	MPWKOAAYDITALN-MRVPVSSYSA-N	323.305	0.110	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	59459655	CDHNNJGMZBFMKW-MHWRWJLKSA-N	322.321	0.588	50	40	DCGB	
Cc1occc1C(=O)NNC(=O)c1c(C)oc2nc[nH]c(=O)c12	27403080	LVRXHZFCVBPBGY-UHFFFAOYSA-N	316.273	0.801	50	40	DCGB	
CN(C)CC(=O)NNC(=O)c1ccc(Br)cc1	3251815	ZGPPFYDSUICJQU-UHFFFAOYSA-N	300.156	0.772	50	40	DCGB	
O=S1(=O)C[C@H](OS(=O)(=O)c2ccccc2)[C@@H](Cl)C1	3124753	QTKLLKYXEBAZKY-UWVGGRQHSA-N	310.780	0.796	50	40	DCGB	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)C(Cl)(Cl)Cl	1462220	IRCRGVHTYRYWMH-IMJSIDKUSA-N	315.005	0.877	50	40	DCGB	
Cc1occc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1	32913276	YLKHWMJZIFTZTM-NSHDSACASA-N	322.365	0.743	50	40	DCGB	
N#CC1=C(N)O[C@]2(N3CCOCC3)CCCC[C@H]2C1(C#N)C#N	19931929	VTMMTIMMPSNWFI-XJKSGUPXSA-N	313.361	0.963	50	40	DCGB	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2	7386699	QXOMNOBHFQWEIH-UHFFFAOYSA-N	314.363	0.813	50	40	DCGB	
CC(=O)NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	22699645	ORGGJHXFIBTOFW-UHFFFAOYSA-N	306.322	0.979	50	40	DCGB	
CCCCOC(=O)[C@H]1CSSC[C@@H](NC(C)=O)C(=O)N1	1592515	FQWNYIMBJGHWNZ-NXEZZACHSA-N	320.436	0.714	50	40	DCGB	
CO[C@H]1CS(=O)(=O)[C@@H](Br)[C@@H]1Br	3913889	JNWCQYXPAKQRIG-VPENINKCSA-N	307.991	0.914	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)CN2CCOCC2)c1	59160324	NQBSSAOSLUXHGL-MHWRWJLKSA-N	307.350	0.486	50	40	DCGB	
COc1cc(CC(=O)NNC(=O)C2CC2)cc(OC)c1OC	3621351	FMOVCPPCEDTJCB-UHFFFAOYSA-N	308.334	0.812	50	40	DCGB	
C[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)NN)C1	15424143	AOXHIZQORCYQEA-QMMMGPOBSA-N	303.409	0.772	50	40	DCGB	
COc1ccc(NCC(=O)NNC(=O)c2cc(C)no2)cc1	71031983	NFCSPGASTXLXIT-UHFFFAOYSA-N	304.306	0.865	50	40	DCGB	
CC[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C\[C@H]1CC=CCC1	12418409	ZMOWEPAMSFCPEQ-MDWLTXIKSA-N	320.353	0.107	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1cccc(C(=O)OC)c1	4853751	RNYMIMZATOJMOK-LICLKQGHSA-N	321.333	0.076	50	40	DCGB	
COC(=O)C1(C(=O)OC)C[C@H]2CC=C(C#N)O[C@H]2N1C(C)=O	4267946	RMVZXFBXTYKDPS-MWLCHTKSSA-N	308.290	0.093	50	40	DCGB	biogenic
CN(CC(=O)NN)S(=O)(=O)c1cc(Cl)ccc1Cl	6545395	RXMVBOIBQSIEDE-UHFFFAOYSA-N	312.178	0.604	50	40	DCGB	
CCN1C(=O)/C(=N\NC(=O)c2nonc2N)c2ccccc21	101657100	HKUBBMHOQVIVOU-DHDCSXOGSA-N	300.278	0.152	50	40	DCGB	
O=C(NN[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)o1	3182092	FZYAQCFHEKNCGD-ZCFIWIBFSA-N	323.168	0.464	50	40	DCGB	
CCCCC(=O)NNC(CC)=C1C(=O)N(C)C(=O)N(C)C1=O	4808615	XAMSZXLWKGEABO-UHFFFAOYSA-N	310.354	0.512	50	40	DCGB	
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cccnc1	9596438	NKOAWLOWYMLYKE-UHFFFAOYSA-N	312.329	0.202	50	40	DCGB	
O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccncc1	9884009	KCVHCOISWCWCCN-UHFFFAOYSA-N	312.329	0.663	50	40	DCGB	
CCn1c(NNC(=O)Cn2cncn2)nc2ccccc2c1=O	32904539	GWJOZDLCUMGIMY-UHFFFAOYSA-N	313.321	0.151	50	40	DCGB	
COC(=O)C1=C(C(=O)OC)[C@@](Cc2ccccc2)(OO)OC1=O	73242631	AXULXPISEVVHIP-OAHLLOKOSA-N	322.269	0.614	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccn2)ccc1O	17441229	VVFFGGFTZGIBQJ-RQZCQDPDSA-N	314.301	0.885	50	40	DCGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/[C@H]1CC=CCC1	25758976	AJRVPQLXLSKLBL-HXBVQPGFSA-N	316.325	0.613	50	40	DCGB	
COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1O	1877619	DOUUVJFHVBHXBB-MKMNVTDBSA-N	307.335	0.527	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccccc1	408653165	FDENAMBWVYSDSS-SJHCENCUSA-N	300.314	0.645	50	40	DCGB	
Cc1ccccc1N(C(=O)CCl)[C@H]1CS(=O)(=O)C[C@@H]1O	217385465	YMWIQHRMRNXCTF-RYUDHWBXSA-N	317.794	0.725	50	40	DCGB	
COc1ccc(OCC(=O)NC(=S)NNC(=O)C2CC2)cc1	6470159	UXXMGGJTGBCJAD-UHFFFAOYSA-N	323.374	0.506	50	40	DCGB	
Cc1cc(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]n1	18240557	VOJJIQNEVYGMNA-UHFFFAOYSA-N	314.261	0.713	50	40	DCGB	
Cc1nn(CC(=O)NNC(=S)NC2CC2)c(C)c1[N+](=O)[O-]	2788445	RZKUDKNIVQCUGR-UHFFFAOYSA-N	312.355	0.066	50	40	DCGB	
O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1	858239	PINYOBSVCDFDJN-UHFFFAOYSA-N	323.264	0.590	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NN)cc1C	39986152	BXHVBVSFWOHMSA-UHFFFAOYSA-N	315.395	0.394	50	40	DCGB	
O=C1O[C@@H]2[C@H]3CC[C@H]([C@@H]1[C@H]3CO)[C@H]2I	39273230	OESYYIHPXWILPL-PHPHBREWSA-N	308.115	0.980	50	40	DCGB	
CC(=O)N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	408754385	QNOHZWHNFZWPIW-LYGDGENHSA-N	318.358	0.481	50	40	DCGB	
Cc1cc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)no1	575424458	LHBOYXQQEJLECD-NKWVEPMBSA-N	309.800	0.674	50	40	DCGB	
NNC(=O)[C@H]1C[C@@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2N1	57467230	BTENYQSCQYYTMW-ZZTKVPBPSA-N	300.362	0.964	50	40	DCGB	
O=C(NNC(=S)NC1CCCCC1)c1n[nH]cc1[N+](=O)[O-]	8306597	DMYPKRDKMAUGSL-UHFFFAOYSA-N	312.355	0.760	50	40	DCGB	
CC(=O)NNC(=O)CN1C(=O)[C@@H](C)Oc2ccc(Cl)cc21	19988197	PICUKLZARNLQRD-SSDOTTSWSA-N	311.725	0.621	50	40	DCGB	
CCN1C(=O)/C(=N/NC(=O)CN2CCOCC2)c2ccccc21	6953714	GGGSCRODHMODNW-OBGWFSINSA-N	316.361	0.206	50	40	DCGB	
CC(C)OCCCNS(=O)(=O)c1cccc(C(=O)NN)c1	225501982	XBBJAXQCTPSDSZ-UHFFFAOYSA-N	315.395	0.384	50	40	DCGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	8264214	NVNPFTFEZGDPTO-UHFFFAOYSA-N	320.773	0.897	50	40	DCGB	
CCOC(=O)/C=C/C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	6881533	QVHBQLHXNSLTLL-GUOLPTJISA-N	320.301	0.093	50	40	DCGB	
Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@@H]2[C@]23CCC[C@]12C3Br	104291020	YIZUZQSNJNNZPK-LSMHSDKXSA-N	324.178	0.948	50	40	DCGB	
Cc1ccc(OCC(=O)NNC(=O)c2nccnc2N)cc1C	14077178	SBLWIDHJQAHMAR-UHFFFAOYSA-N	315.333	0.516	50	40	DCGB	
Cc1cc(N)nc(SCC(=O)NNC(=O)c2ccccc2)n1	7048621	YIGWWYFNFFLTRW-UHFFFAOYSA-N	317.374	0.921	50	40	DCGB	
O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccn1	12457681	CRZPCWYNKYULGN-CYBMUJFWSA-N	311.297	0.624	50	40	DCGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1	3410028	IDQDJYQKVHYGRV-UHFFFAOYSA-N	308.297	0.998	50	40	DCGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1[nH]cnc1[N+](=O)[O-]	5886979	ARHGJXFPNFEQQE-SYZQJQIISA-N	303.234	0.811	50	40	DCGB	
COc1cccc(NC(=O)C(=O)NN=C2CCN(C)CC2)c1	59515778	HFAHTUPLOYBJBD-UHFFFAOYSA-N	304.350	0.832	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)O)cc1	59459658	QHDWDBKRSXPHIF-LICLKQGHSA-N	321.333	0.378	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(C)C	9314332	DZMOJOGSGHZSJM-UHFFFAOYSA-N	312.395	0.705	50	40	DCGB	
OB(O)c1cnc(N2CCCCC2)nc1OCc1ccccc1	169748134	SPOMEULVXQDYOU-UHFFFAOYSA-N	313.166	0.726	50	40	DCGB	in-vitro
COCCOC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	8469295	OTRPRJNKPCSDHP-XYOKQWHBSA-N	304.302	0.647	50	40	DCGB	
NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1	108484230	PGTIUBLWAULPCL-AWEZNQCLSA-N	319.386	0.566	50	40	DCGB	
Cc1cccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)c1	4481026	UOXYTMFVWLEYBK-UHFFFAOYSA-N	307.350	0.436	50	40	DCGB	
COc1cccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)c1OC	263873	ZQHQGKUKONJGIO-OVCLIPMQSA-N	304.306	0.825	50	40	DCGB	
Nc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1	3601755	UVVHDRLLSRDQAB-UHFFFAOYSA-N	309.376	0.674	50	40	DCGB	
CCS(=O)(=O)[C@H](I)[C@@H](O)C1CC1	96519306	LTJXMOJFWBMYQJ-BQBZGAKWSA-N	304.149	0.953	50	40	DCGB	
Nc1nonc1C(=O)N/N=C\c1cc2c(cc1Cl)OCO2	5567072	RPCBWZGEZJCZGT-BNNQUZSASA-N	309.669	0.798	50	40	DCGB	
C[C@@H](O)CCC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O	100786239	MVDYHLLNMWSHLF-PWSUYJOCSA-N	305.334	0.100	50	40	DCGB	
Cc1ccc(S(=O)(=O)NNC(=O)CC2(C)OCCO2)cc1	271472	KISDJMZLRJFXRB-UHFFFAOYSA-N	314.363	0.458	50	40	DCGB	
CCN(CC(=O)NN)S(=O)(=O)c1ccc(OC)c(C)c1	19929552	HPPHKNWNIFMSAB-UHFFFAOYSA-N	301.368	0.004	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O	102197857	VCLCYBCASZVNOJ-XKNYDFJKSA-N	324.358	0.696	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1cc([N+](=O)[O-])cn1	252483675	FGUPFCVZBLRCTG-MKMNVTDBSA-N	323.288	0.513	50	40	DCGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)NC1CCCC1	15226106	UMSMTEOKIHVTNQ-CXUHLZMHSA-N	303.318	0.894	50	40	DCGB	
CC1=NNC(=O)[C@@H]1CC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	100064631	PQQVTJJJSITUHJ-PWDRSIHYSA-N	317.305	0.947	50	40	DCGB	
O=C1NN=C[C@@H]1C(=O)N/N=C/c1ccccc1Br	100948898	ZKJDTDFONOLDRV-BWJGRMQRSA-N	309.123	0.631	50	40	DCGB	
CC12CN3CCN(CC(C3)/C1=N\NC(=O)c1ccccc1N)C2	95483278	MEWUHQVIPVUTND-XDJHFCHBSA-N	313.405	0.622	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1	17111328	LGJIAVAMZIZIBC-WDZFZDKYSA-N	313.269	0.883	50	40	DCGB	
CCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1	419659	SDIMZXHFFYNKEK-UHFFFAOYSA-N	312.399	0.513	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1O	59515817	INVGLXCOHXUFAT-SXGUVYOMSA-N	321.333	0.146	50	40	DCGB	
CN(C)S(=O)(=O)NCC(=O)N/N=C\c1ccccc1Cl	30731494	ONWPMVSHUQNGFZ-QPEQYQDCSA-N	318.786	0.186	50	40	DCGB	
CCC(NNC(=O)Nc1ccccc1)=C1C(=O)NC(=O)NC1=O	9166879	AXBCLTFIHOSUDV-UHFFFAOYSA-N	317.305	0.343	50	40	DCGB	
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccco1	8355386	VHSZHSGWEKLWSL-UHFFFAOYSA-N	301.302	0.400	50	40	DCGB	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccncc1	569236	CPZZOTMUPNAXRI-UHFFFAOYSA-N	316.273	0.830	50	40	DCGB	
O=C(CNC(=O)c1ccncc1)N/N=C/c1ccc(O)cc1O	2287136	KXAMCDNTVVLOTM-QGMBQPNBSA-N	314.301	0.373	50	40	DCGB	
O=C(CN1CCCCC1=O)NNC(=O)c1ccc2c(c1)OCO2	44919525	BNXBKVIUVVPDBA-UHFFFAOYSA-N	319.317	0.189	50	40	DCGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)c1ccccc1	12412629	LYVATOSVVKFYOU-LCYFTJDESA-N	310.313	0.644	50	40	DCGB	
CCCCOC(=O)[C@@H]1CSSC[C@@H](NC(C)=O)C(=O)N1	1592516	FQWNYIMBJGHWNZ-ZJUUUORDSA-N	320.436	0.714	50	40	DCGB	
C=CCNC(=S)NNC(=O)CC[C@H](O)COCCC(C)C	13634442	MUPVCBKTFYSANG-LBPRGKRZSA-N	317.455	0.872	50	40	DCGB	
CC/C(NNC(=O)c1ccncc1)=C1/C(=O)NC(=O)N=C1O	18202176	HJXLSCLNIABUEC-UHFFFAOYSA-N	303.278	0.186	50	40	DCGB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)C(Cl)(Cl)Cl	4829694	IRCRGVHTYRYWMH-QWWZWVQMSA-N	315.005	0.877	50	40	DCGB	
CC1(C)Cc2c(sc(NC(=O)C(=O)NN)c2C(=O)O)CO1	6760327	GFVDTOLCXGPSNY-UHFFFAOYSA-N	313.335	0.226	50	40	DCGB	
Cc1ccc(C(=O)NNc2cc(=O)n(C)c(=O)n2C)cc1C	2706484	LLXVBUCFZAKJMD-UHFFFAOYSA-N	302.334	0.458	50	40	DCGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)CNC(=O)C2CC2)c1	40087091	OYXWHBGCASCKST-UHFFFAOYSA-N	319.361	0.356	50	40	DCGB	
CC1(C)[C@@]2(CBr)CC[C@]1(C(N)=O)C(=O)OC2=O	103708043	SOIIWGPTVRVIRP-MNOVXSKESA-N	304.140	0.743	50	40	DCGB	
CC[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C\[C@@H]1CC=CCC1	12418412	ZMOWEPAMSFCPEQ-VVWQTCAUSA-N	320.353	0.107	50	40	DCGB	
COCCNC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	6169795	KCSLLLQLDRHQRE-UHFFFAOYSA-N	323.393	0.113	50	40	DCGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)cc1	349690	HFECWUMFWFXCQY-LBPRGKRZSA-N	324.340	0.611	50	40	DCGB	
O=C1NN=C[C@@H]1C(=O)N/N=C/c1ccc(Br)s1	100948845	FALSNYUKYGWJPK-TWCFENQISA-N	315.152	0.693	50	40	DCGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(CO)cc1	44867171	RRFOTZSUXQJNQP-UHFFFAOYSA-N	314.297	0.982	50	40	DCGB	
CCC(=O)NNC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1	7718266	GEDYYANMEQVILG-UHFFFAOYSA-N	308.363	0.701	50	40	DCGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/C(=O)O)cc1C	2789109	BPRFHMNEAPIQQT-MLRMMBSGSA-N	306.318	0.859	50	40	DCGB	
C[C@H]1CN(c2ccc(C(=O)NNC(=O)C3CC3)cn2)C[C@@H](C)O1	30018316	WTOOQTXDYMQNAE-PHIMTYICSA-N	318.377	0.866	50	40	DCGB	
COc1cccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1	2301462	WSHCPQWNPPJHSC-WHGQRRHOSA-N	320.370	0.905	50	40	DCGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1	9428939	GRQUYYHAXFLTMJ-UHFFFAOYSA-N	320.773	0.897	50	40	DCGB	
CCCCOC(=O)[C@@H]1CSSC[C@H](NC(C)=O)C(=O)N1	1592518	FQWNYIMBJGHWNZ-UWVGGRQHSA-N	320.436	0.714	50	40	DCGB	
NC(=O)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	6321268	GDEANINOXUTROC-UHFFFAOYSA-N	307.162	0.796	50	40	DCGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1	16732633	QYNVOKMHQSODGH-VNKGSWCUSA-N	306.343	0.602	50	40	DCGB	
COc1cccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)c1	408780219	VOMXJPXHEUJAGK-UHFFFAOYSA-N	313.379	0.973	50	40	DCGB	
CCN1CCN(C(=O)/C(C#N)=C2\N=C(N)c3ccccc32)CC1	3394779	XTRCQUADBZJCAS-PFONDFGASA-N	309.373	0.804	50	40	DCGB	
NC(=O)C(=O)N/N=C/C1=Cc2cc(Br)ccc2OC1	42786811	GCIWOICSWDQVGF-PJQLUOCWSA-N	324.134	0.812	50	40	DCGB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NN	408608775	PQLMYWAASHPSCZ-ZCFIWIBFSA-N	307.759	0.005	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	59459779	AZURBRNKVJNUCE-CXUHLZMHSA-N	320.305	0.746	50	40	DCGB	
COc1ccccc1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	9547773	LGISNFNHHPEIGL-MNOVXSKESA-N	317.794	0.758	50	40	DCGB	
Nc1nnn(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1	547828	CKUVDVXYYBSALD-LNKIKWGQSA-N	314.136	0.712	50	40	DCGB	
CCOc1ccc(C(=O)NNC(=O)CSc2ncn[nH]2)cc1	9313464	AEDZQUITWXYMMT-UHFFFAOYSA-N	321.362	0.757	50	40	DCGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3cc(C)nn3C)nc2n1	131983	AJEFTYNQRWTMAL-VIZOYTHASA-N	312.337	0.547	50	40	DCGB	
COc1cc(C(=O)NCC(=O)NN=C(C)C)cc(OC)c1OC	4783653	SMFXPBSWQVBXMM-UHFFFAOYSA-N	323.349	0.954	50	40	DCGB	
O=C1O[C@H]2[C@H]3CC[C@H]([C@H]2I)[C@H]1[C@H]3CO	105413455	OESYYIHPXWILPL-WPAQIBSUSA-N	308.115	0.980	50	40	DCGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1	3062002	RBYGTWYXSCQTEV-LDADJPATSA-N	319.361	0.854	50	40	DCGB	
N#CC1=C[C@@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@]([N+](=O)[O-])(C1)C2	100211185	QTJPZSFFVNEZHH-RYUDHWBXSA-N	310.266	0.051	50	40	DCGB	
Cc1cccc(N(C(=O)CCl)[C@H]2CS(=O)(=O)C[C@H]2O)c1	40177666	NQJVOAILRYHKNM-NWDGAFQWSA-N	317.794	0.725	50	40	DCGB	
Nc1nnnn1CC(=O)N/N=C/c1cccc(Br)c1	547927	PRJNCYVVJLGDSD-WLRTZDKTSA-N	324.142	0.168	50	40	DCGB	
COc1cccc(OC)c1C(=O)N1CCC(C(=O)NN)CC1	409023203	URLYIFMRSSPCPI-UHFFFAOYSA-N	307.350	0.546	50	40	DCGB	
COCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	59472624	MBAHZCLXRWZUHU-UHFFFAOYSA-N	312.123	0.868	50	40	DCGB	
Cc1ccc(C(=O)N[C@]2(C(Cl)Cl)N=C(N)NC2=O)cc1	101426314	FYNOYQGJGFHBPT-GFCCVEGCSA-N	315.160	0.669	50	40	DCGB	
COc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1	9530669	IINQXUVPXBGMAU-RYUDHWBXSA-N	317.794	0.758	50	40	DCGB	
COc1cccc(OC)c1/C=N/NC(=O)C(=O)N1CCCC1	6583651	YNMUSMZFLZEEOW-MHWRWJLKSA-N	305.334	0.776	50	40	DCGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1	367478	QQBVQRZRZQFWGL-ACCUITESSA-N	317.345	0.882	50	40	DCGB	
CNC(=S)NNC(=O)COc1ccc2c(C)cc(=O)oc2c1	6940900	SRLQQMZGKMBOQO-UHFFFAOYSA-N	321.358	0.605	50	40	DCGB	
O=C(CCl)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1	256030588	PQCCPCTWFWWOJL-NSHDSACASA-N	302.783	0.836	50	40	DCGB	
COc1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)cc1OC	5800142	ZVVYCRLNODOWCD-OVCLIPMQSA-N	304.306	0.825	50	40	DCGB	
COC(=O)c1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C	201338257	WNDIMVXXLXLEPA-UHFFFAOYSA-N	319.122	0.891	50	40	DCGB	
CCOc1ccc(C(=O)NNC(=O)c2nccnc2N)cc1	14046995	TZLBRKUFXYCDNW-UHFFFAOYSA-N	301.306	0.532	50	40	DCGB	
Cn1c(=O)[nH]c2c(c1=O)[C@H](c1cccc(F)c1)C(C#N)=C(N)N2	494901	DKGNJFXLPRZIJQ-SNVBAGLBSA-N	313.292	0.464	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1ccc(O)c(C(=O)O)c1	101093575	XYIVAJNWZZQGIA-WOJGMQOQSA-N	314.257	0.355	50	40	DCGB	
C=CCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O	34236611	HTSFIKNZASOAMC-NTMALXAHSA-N	315.289	0.305	50	40	DCGB	
C/C(NNC(=O)Cc1ccccc1)=C1/C(=O)NC(=O)SC1=O	95101247	IEOVHUMYVUIHMW-DHZHZOJOSA-N	319.342	0.634	50	40	DCGB	
O=C(CNc1nnc(O)nc1O)N/N=C/C=C/c1ccccc1	13638488	VEMQZOWKJAAQAR-LHQXNBGVSA-N	314.305	0.510	50	40	DCGB	
Cn1cc(C(=O)NNC(=O)N2CCC[C@H](O)C2)c2ccccc21	9469592	CGQJXJKLOWIBRM-NSHDSACASA-N	316.361	0.989	50	40	DCGB	
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	197680572	PJPAPOCZOTYLIT-GCHJQGSQSA-N	308.447	0.462	50	40	DCGB	
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CCl)C2=O)c1	8939686	ZJSBMUGDAMQXTO-ZDUSSCGKSA-N	311.725	0.732	50	40	DCGB	
COCCCNC(=S)NNC(=O)CCn1cc(Cl)cn1	2792676	XTTCDYBVVJHEMR-UHFFFAOYSA-N	319.818	0.458	50	40	DCGB	
CCn1ncc(/C=N/NC(=O)CCn2cc([N+](=O)[O-])cn2)c1F	252483301	DYSFAWHPUHDCHO-LHHJGKSTSA-N	323.288	0.687	50	40	DCGB	
O=C(Cn1cccn1)N/N=C/c1ccn(CC(F)(F)F)n1	252478745	AUKQHKHGRUVJRC-GIDUJCDVSA-N	300.244	0.792	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccncc1	5670132	PNYQQNXBCVBDAN-RHYQMDGZSA-N	301.302	0.366	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1	16694081	RCSIQWIHOYTWKX-WDZFZDKYSA-N	313.269	0.883	50	40	DCGB	
O=C(OC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1ccccc1	100396579	XCVREVSUWOTDPK-OVZMXSCWSA-N	300.266	0.867	50	40	DCGB	
O=C1NC(=O)[C@H]2[C@H]3O[C@@H]([C@H](Br)[C@@H]3Br)[C@H]12	103114372	AHULPADMYFKORI-XCMZKKERSA-N	324.956	0.183	50	40	DCGB	
CCOC(=O)[C@@]1(NC(C)=O)C[C@](C)(CBr)OC1=O	35327437	KLNZAMIVBNUXGC-MNOVXSKESA-N	322.155	0.525	50	40	DCGB	
C/C(CC(C)C)=N\NC(=O)c1nnn(-c2nonc2N)c1C	4473623	FCEOKZQZVSEIPK-VGOFMYFVSA-N	306.330	0.693	50	40	DCGB	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)C1CCCCC1	4392993	ORHWGEAGKLLFMR-JTQLQIEISA-N	302.396	0.539	50	40	DCGB	
NC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1	4691118	MGARAPXABNJEFZ-UHFFFAOYSA-N	308.725	0.848	50	40	DCGB	
O=C([C@H]1CCCN1C(=O)CBr)N1CCOCC1	72207506	PFYBIGLYTNYVGH-SECBINFHSA-N	305.172	0.231	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1O	3062012	MGDHJEDUDBPMIS-CXUHLZMHSA-N	309.322	0.004	50	40	DCGB	
COCCCNC(=O)NNC(=O)COc1ccc(OC)cc1	42901063	WHEDJZIWZXHNKT-UHFFFAOYSA-N	311.338	0.441	50	40	DCGB	
O=C(CCN1C(=O)CCC1=O)NNc1ccccc1[N+](=O)[O-]	32747751	CJYWADWDDLJFJC-UHFFFAOYSA-N	306.278	0.577	50	40	DCGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccnc2)c1C	27063409	RXNAKROKLIFLPW-UHFFFAOYSA-N	316.317	0.888	50	40	DCGB	
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1	14197655	MTSQEQKULJUSME-LBPRGKRZSA-N	305.334	0.270	50	40	DCGB	
O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)C1CC1	65491519	GRDKTKUYOVEGKS-GFCCVEGCSA-N	317.345	0.554	50	40	DCGB	
COc1ccc2c(c1)/C(=N\NC(N)=S)C(=O)N2CCCl	5932547	SZTDBYPWGWNTLC-XNTDXEJSSA-N	312.782	0.818	50	40	DCGB	
CC(C)NC(=S)NNC(=O)c1nc(O)c2ccccc2n1	8743352	PBLNSAUEHLZJOS-UHFFFAOYSA-N	305.363	0.853	50	40	DCGB	
C/C(=N\NC(=O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	20073337	KTVZGZOFHNCUAR-RVDMUPIBSA-N	306.322	0.767	50	40	DCGB	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cc[n+]([O-])cc1	16495783	RLSDTSFDGYOOFI-UHFFFAOYSA-N	303.343	0.945	50	40	DCGB	
CCOC(=O)NNC(=O)Cc1nnc(/N=C(\O)OCC)s1	33382583	DCCPDMCBHWPRNU-UHFFFAOYSA-N	317.327	0.440	50	40	DCGB	
COC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1ccccc1	4508658	HANYJDLJZQFUQZ-UHFFFAOYSA-N	321.333	0.506	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OC	408732638	SXGFWPLNBRCOIX-GZTJUZNOSA-N	321.377	0.876	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1	24127222	OLWNOCSDMXXCLE-SECBINFHSA-N	316.404	0.642	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	5511760	VCLOCJZPTUXBRB-OQLLNIDSSA-N	308.294	0.198	50	40	DCGB	
O=C(CNC(=O)c1ccco1)NNC(=O)Cc1cccs1	10277561	KYFYEGRPKDOGLL-UHFFFAOYSA-N	307.331	0.461	50	40	DCGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1	9482494	CFEPPVJGYVCJDL-UHFFFAOYSA-N	314.363	0.829	50	40	DCGB	
N#Cc1ccc(CCC(=O)NNS(=O)(=O)c2cn[nH]c2)cc1	72311777	PBMIUTDFPIHZLT-UHFFFAOYSA-N	319.346	0.224	50	40	DCGB	
C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NN	10041266	KGOROPVXUMIKFC-LURJTMIESA-N	322.184	0.106	50	40	DCGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)N1CCCCC1	59366727	TZIYIIAPGREULE-CXUHLZMHSA-N	303.318	0.878	50	40	DCGB	
Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)/C=C/C(=O)O)c1	6825785	GWCFUSDXHKYQTH-SGUJLRQBSA-N	306.318	0.859	50	40	DCGB	
Cc1cc(=O)c2nncn2n1CC(=O)N/N=C/c1ccccc1	82326	GTUNEZCMJAOPTR-LZYBPNLTSA-N	310.317	0.350	50	40	DCGB	
COCCNC(=S)NNC(=O)COc1ccc(OC)cc1	7062244	QHRPIHIOXVKALD-UHFFFAOYSA-N	313.379	0.216	50	40	DCGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1)c1c(O)[nH]c(=O)[nH]c1=O	102420692	PNHHBNMGRWDKIM-FMQZQXMHSA-N	322.708	0.576	50	40	DCGB	
Cc1ccccc1N1C(=O)C[C@H](NNC(=O)c2cccnc2)C1=O	18179867	VUHTWSMAOJBBBI-ZDUSSCGKSA-N	324.340	0.957	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1C[C@H]1C	9364154	YTWRPAFNXHNUHB-PSASIEDQSA-N	324.406	0.705	50	40	DCGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccn[nH]1	258473	DHUIDJDCGJPBDQ-LHHJGKSTSA-N	303.234	0.811	50	40	DCGB	
CN(CC(=O)NNC(=O)c1cccs1)C(=O)c1ccco1	22869131	IRFPFNJMDHFUMP-UHFFFAOYSA-N	307.331	0.874	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	7782492	WRHZIMFTJBSDSA-OQLLNIDSSA-N	308.294	0.198	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)OC)cc1	3062101	FLLWUKLCULUXSX-LICLKQGHSA-N	303.318	0.616	50	40	DCGB	
N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])o1	2267256	GLYAPSBRWLIHKY-SSDOTTSWSA-N	317.217	0.195	50	40	DCGB	
O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)c1ccccc1O	16719454	ASECZQMIPLMAGB-UKTHLTGXSA-N	323.308	0.938	50	40	DCGB	
CCOC(=O)CCC(=O)NNC(=O)COc1cccc(C)c1	4602712	CINNXYWOYPOAGQ-UHFFFAOYSA-N	308.334	0.865	50	40	DCGB	
COc1ccc(-c2sc(C(=O)NN)cc2CC(=O)NN)cc1	844795	ZYTSMUCGQKOHIW-UHFFFAOYSA-N	320.374	0.560	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1Cl	408597243	UKMFKCHTRQWETA-SSDOTTSWSA-N	321.786	0.395	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1O	2291164	KPGGKELUAHLXTB-CXUHLZMHSA-N	309.322	0.004	50	40	DCGB	
COc1ccnc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1	40510811	FVOLIRPQLNECDY-UHFFFAOYSA-N	322.346	0.646	50	40	DCGB	
O=C(Cn1cncn1)N/N=C/c1cc(Br)ccc1O	547658	OFQWDOXQCHNPFO-LNKIKWGQSA-N	324.138	0.897	50	40	DCGB	
O=C1O[C@@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@@H]2I	4530649	NHGLFZIQXAGSGN-GLHUEIADSA-N	308.071	0.682	50	40	DCGB	
COC(=O)[C@@H]1CN(C(=O)CCl)CCN1C(=O)OC(C)(C)C	79419917	JNMFXNMZAZAYOK-VIFPVBQESA-N	320.773	0.846	50	40	DCGB	
CCOC(=O)C/C(=N/NC(=O)c1ccccc1O)C(=O)OCC	17024155	SAIJIIMDGMZUBV-WJDWOHSUSA-N	322.317	0.994	50	40	DCGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	408973053	YDBNHEIEBYRDTB-HVIDBACLSA-N	322.321	0.968	50	40	DCGB	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1	8196544	XJCOKOUFWBRSLJ-UHFFFAOYSA-N	319.342	0.560	50	40	DCGB	
CCc1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1	4599583	QYEWZIOYDZGMRF-UHFFFAOYSA-N	300.318	0.879	50	40	DCGB	
C/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)SC1=O	95101243	KMTBQDHEPJTLNT-RMKNXTFCSA-N	321.314	0.410	50	40	DCGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1	408732366	VGDNJYUBVVOAKU-VGOFMYFVSA-N	319.346	0.895	50	40	DCGB	
O=C(NNS(=O)(=O)[C@H]1CCCOC1)c1ccccc1O	96003483	DEAIIKSTMSSJLQ-VIFPVBQESA-N	300.336	0.135	50	40	DCGB	
NC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O	6222160	MUDCYVFAJVELNE-UHFFFAOYSA-N	308.275	0.179	50	40	DCGB	
Cn1c(=O)c2c(nc(N/N=C\C(Cl)Cl)n2C)n(C)c1=O	104386453	GMXXSOIXMQJOOD-PQMHYQBVSA-N	319.152	0.172	50	40	DCGB	
NC(=S)NNC(=O)c1ccc(I)cc1	15423266	AIUOJNXAFDXBAP-UHFFFAOYSA-N	321.143	0.769	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1	408653164	FDENAMBWVYSDSS-NZEXEKPDSA-N	300.314	0.645	50	40	DCGB	
O=C(CNC(=O)c1cccnc1)N/N=C/c1ccc(O)cc1O	2276157	VHQHWXDEYVTIKV-QGMBQPNBSA-N	314.301	0.373	50	40	DCGB	
CCOC(=O)C(C(=O)OCC)[C@@H]1CS(=O)(=O)C[C@@H]1Cl	3156350	RFPGPAUXESPDSF-SFYZADRCSA-N	312.771	0.381	50	40	DCGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	7783629	SUFJGWCOSZDNJU-LZYBPNLTSA-N	316.273	0.954	50	40	DCGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccn1	4702501	FVUUUJZLWRKWQN-LICLKQGHSA-N	307.317	0.885	50	40	DCGB	
COc1cccc(-c2nc(N)cc(SCC(=O)NN)n2)c1	223463565	SONGBHYRYRHMRD-UHFFFAOYSA-N	305.363	0.816	50	40	DCGB	
CN1CCC(=NNC(=O)CC(=O)NCc2cccnc2)CC1	58986146	GLWDRQOLVWGKFH-UHFFFAOYSA-N	303.366	0.286	50	40	DCGB	
COC1=C(OC)[C@H]([C@H](CBr)OC(C)=O)OC1=O	3843047	JAIZJDIWZLUPEB-BQBZGAKWSA-N	309.112	0.743	50	40	DCGB	biogenic
O=C(OCCBr)C(=O)OCCBr	1682737	GJKUEAJIJQTAKF-UHFFFAOYSA-N	303.934	0.863	50	40	DCGB	
N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1ccc(O)cc1	8996101	SYXXUBAZUUHBIF-JTQLQIEISA-N	303.343	0.949	50	40	DCGB	
NC(=O)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	3609404	SLMQZLUHBDDKSR-VIZOYTHASA-N	302.246	0.790	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1	5511571	RDKCCEHMSBGSJL-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
CN1C[C@]2([N+](=O)[O-])CC=C(OCCCl)[C@]([N+](=O)[O-])(C1)C2	36020361	NKGMMWFINJRINN-WDEREUQCSA-N	305.718	0.896	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1	3009232	CQMKMOLBPGOKKO-YRUBURHZSA-N	305.334	0.441	50	40	DCGB	
COC(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	11565608	VYEYKGFMTPBZPE-UHFFFAOYSA-N	312.238	0.899	50	40	DCGB	
O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccco1	411375	OCPPOAOQWQFPPQ-UHFFFAOYSA-N	312.289	0.394	50	40	DCGB	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccco1	26811987	IANUZKFCIHHMKX-UHFFFAOYSA-N	302.212	0.956	50	40	DCGB	
O=C(Cn1nc2ccccc2n1)N/N=C/c1ccc(O)cc1O	994090	MKOCVOBVCLPMTN-LZYBPNLTSA-N	311.301	0.993	50	40	DCGB	
CCOC(=O)C1=C(NC)OC/C1=N/NC(=O)c1ccccc1O	100296459	AEOCSCCUYYINLU-YVLHZVERSA-N	319.317	0.502	50	40	DCGB	
O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1	3140853	UBBYXQRRUXGHKB-UHFFFAOYSA-N	323.308	0.744	50	40	DCGB	
CN(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccco2)C1	44917780	VBZLFZIHHQRVQQ-SNVBAGLBSA-N	308.338	0.434	50	40	DCGB	
CCc1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1	575422007	KHAZCHUUWJMYFA-RITPCOANSA-N	324.815	0.626	50	40	DCGB	
CCOC(=O)CCC(=O)NNC(=O)COc1ccccc1C	1794712	ULFRPLKUOGTMQK-UHFFFAOYSA-N	308.334	0.865	50	40	DCGB	
Nc1nnn(CC(=O)N/N=C/c2ccc(Br)cc2)n1	547894	UPZZODOOMWLNSG-WLRTZDKTSA-N	324.142	0.168	50	40	DCGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1	3057904	NRMWNYUIPPTVDL-CXUHLZMHSA-N	305.334	0.838	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	5511601	YCJTUMOVDFMEES-OQLLNIDSSA-N	308.294	0.198	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2	6316490	WWOFIKYMUYCBOC-UHFFFAOYSA-N	302.308	0.397	50	40	DCGB	
O=C(CCN1CCOCC1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	4739498	SEVQEDUOUMETST-XNTDXEJSSA-N	322.321	0.473	50	40	DCGB	
O=C(O)/C=C\C(=O)NNC(=O)c1ccc(Br)cc1	39949456	WELBPTHNDSDSCK-WAYWQWQTSA-N	313.107	0.851	50	40	DCGB	
COc1ccc(/C=N\NC(=O)c2ccc(O)nn2)cc1OC	61705220	LASRHNOCVWGWFR-NVNXTCNLSA-N	302.290	0.963	50	40	DCGB	
O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1cnccn1	2250120	HGXNUELTEFVISI-ONEGZZNKSA-N	317.330	0.419	50	40	DCGB	
CN(C)S(=O)(=O)NCC(=O)NN=Cc1ccc(Cl)cc1	15938245	ASPOHEQBIRHOHY-UHFFFAOYSA-N	318.786	0.186	50	40	DCGB	
COC(=O)C1=C(C(=O)OC)[C@@](OO)(c2ccccc2)OC1=O	73331457	BQAOTJGYUSQOPU-AWEZNQCLSA-N	308.242	0.528	50	40	DCGB	
NNC(=O)Cc1nc(CNc2cccc(C(F)(F)F)c2)n[nH]1	40175875	LRUYKXADJPZKLV-UHFFFAOYSA-N	314.271	0.968	50	40	DCGB	
CC(=O)NCCC(=O)NNC(=O)COc1c(C)cccc1C	6509312	YRONEYOGWSNPNC-UHFFFAOYSA-N	307.350	0.356	50	40	DCGB	
COCCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	9504002	LQFMJOPUKSUXOZ-UHFFFAOYSA-N	319.159	0.758	50	40	DCGB	
O=C(NNC(=O)c1cccnc1)c1ccc(-n2cnnn2)cc1	6941553	RKUCIVCVEZKGBB-UHFFFAOYSA-N	309.289	0.132	50	40	DCGB	
NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1	108484233	PGTIUBLWAULPCL-CQSZACIVSA-N	319.386	0.566	50	40	DCGB	
O=C1NCCC[C@@H]1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	57063790	VPKPCIZZLTZMBZ-XVBMGZJVSA-N	306.278	0.277	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccncc2)c1	409184622	HMRHIRVDQUNRIG-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	32859652	IUZMCBQYXNRWLH-LDYMZIIASA-N	321.289	0.555	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1	104443324	QAKUOMXGOMCFQR-XFXZXTDPSA-N	322.342	0.572	50	40	DCGB	
C=CCN1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21	101224996	XHKFRWZYLVAABP-JOFOEMQUSA-N	308.812	0.508	50	40	DCGB	
CCCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccn1	4904415	VWFNYHAUGFHPFX-VCHYOVAHSA-N	305.338	0.429	50	40	DCGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc[nH]c2=O)c1	12940920	KDCYZGFFNHVOKJ-UHFFFAOYSA-N	301.302	0.523	50	40	DCGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@@](C)(NC(C)=O)[C@@H]1C(=O)OCC	4267761	ANFYUXVVSXAVBI-SLEUVZQESA-N	324.333	0.635	50	40	DCGB	
O=C1NN=C[C@H]1C(=O)N/N=C/c1cccc(Br)c1	100948873	MGONRWISFVTKET-DHIBQTOVSA-N	309.123	0.631	50	40	DCGB	
O=C1OC(=O)[C@@H]2C3C=C4CCCCC4([C@@H]12)[C@@H]1C(=O)OC(=O)[C@H]31	101045275	CTMNMKNVTBAOON-NFPNLZFUSA-N	302.282	0.748	50	40	DCGB	
NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	6883237	PINLYSHEVJVNEB-VIFPVBQESA-N	301.343	0.216	50	40	DCGB	
N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2O)c1	7415999	GNLYIJGKTLOKKU-UHFFFAOYSA-N	317.326	0.887	50	40	DCGB	
NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1	16491322	INOYJHFPGLVIAR-UHFFFAOYSA-N	311.407	1.000	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1	3009228	CQMKMOLBPGOKKO-LFMVTYOGSA-N	305.334	0.441	50	40	DCGB	
O=C(Cc1ccc(F)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	9576071	UVIITPYZAVBQTG-GHMZBOCLSA-N	305.758	0.889	50	40	DCGB	
COc1ccc(OCC(=O)NN)c(I)c1	244386	FVRFKCUMQARESC-UHFFFAOYSA-N	322.102	0.669	50	40	DCGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2	7985988	XQXZWCRVRVJKCX-JTQLQIEISA-N	323.374	0.703	50	40	DCGB	
CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NN)cc1	7077784	ONTNYBSASQCWGK-VIFPVBQESA-N	301.368	0.132	50	40	DCGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1O	59246494	WRXQZERWWVLXGL-SXGWCWSVSA-N	323.349	0.192	50	40	DCGB	
NNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12	4109142	KHICMQFLJUCIOY-UHFFFAOYSA-N	308.341	0.977	50	40	DCGB	
Cc1ccccc1N(C(=O)CCl)[C@H]1CS(=O)(=O)C[C@H]1O	217385622	YMWIQHRMRNXCTF-NWDGAFQWSA-N	317.794	0.725	50	40	DCGB	
NNC(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1	507687	HDUULMLYSVOZAQ-UHFFFAOYSA-N	310.155	0.880	50	40	DCGB	
O=C(NC[C@@H]1CCS(=O)(=O)C1)OC[C@@H](Cl)CCl	59568604	MMKDGSHIPHMZSK-YUMQZZPRSA-N	304.195	0.994	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1[N+](=O)[O-]	4703109	AOLCZYUTEBGPHB-VGOFMYFVSA-N	308.294	0.578	50	40	DCGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1C(=O)O	17472217	YQXVXLHMQYXBMH-CAOOACKPSA-N	315.285	0.744	50	40	DCGB	
NS(=O)(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	32779546	LOFDXKCGUXWCBU-UHFFFAOYSA-N	308.323	0.273	50	40	DCGB	
O=C1NN=C[C@H]1C(=O)N/N=C/c1ccc(Br)s1	100948844	FALSNYUKYGWJPK-QOCPSLBZSA-N	315.152	0.693	50	40	DCGB	
C=CCOC(=O)[C@H](N)CSSC[C@H](N)C(=O)OCC=C	25758098	NXFWNJIOCGUEPY-AOOOYVTPSA-N	320.436	0.481	50	40	DCGB	
N#CCC(=O)Nc1ccc(C(=O)NNC(=S)NC2CC2)cc1	6583758	OOGWDRLDYRVZNF-UHFFFAOYSA-N	317.374	0.810	50	40	DCGB	
C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(F)cc1	6778779	OUMOJDANQHVAPL-VIFPVBQESA-N	319.292	0.998	50	40	DCGB	
CCN1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S	34210705	JULBIBNFMKJZNX-NTMALXAHSA-N	318.358	0.908	50	40	DCGB	
CCCn1c(=O)[nH]c(=O)c2c1nc(CCl)n2CCOC	3888424	GEHJOQIEKFFYIT-UHFFFAOYSA-N	300.746	0.682	50	40	DCGB	
NNC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1	149866	QSEDNOKNZJUECI-JTQLQIEISA-N	321.811	0.394	50	40	DCGB	
CC[C@@H](NNC(=O)c1cccn1C)C(=O)Nc1cc(C)on1	32853677	UWUXWOHIFAIHLH-SNVBAGLBSA-N	305.338	0.973	50	40	DCGB	
COCC1=C(C#N)[C@H](c2cccnc2)C(C(=O)OC)=C(N)O1	481847	GTCDQIGGGHBYSU-LBPRGKRZSA-N	301.302	0.963	50	40	DCGB	
COc1ccc(C(=O)NNC(=O)C(=O)NC2CCCCC2)cc1	6680612	PKSDRQWATNVYBO-UHFFFAOYSA-N	319.361	0.905	50	40	DCGB	
CC1(C)C=C(C(=O)NCCSS(C)(=O)=O)C(C)(C)N1[O]	205462481	AZBZSAANNSNXHH-UHFFFAOYSA-N	321.444	0.940	50	40	DCGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)NCCCOC)c1	3668969	RWCCZZRRTVALKA-LDADJPATSA-N	319.361	0.854	50	40	DCGB	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1	44976045	CGFMLKGBNQJBGI-MNOVXSKESA-N	309.347	0.900	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc2c(c1)OCO2	3062023	IWAATUSHUMFTFA-LZYBPNLTSA-N	307.306	0.018	50	40	DCGB	
COC(=O)c1cc(B(O)O)cnc1O[C@H](C)c1ccncc1	202744750	VUAVHFSIAHXMGA-SECBINFHSA-N	302.095	0.083	50	40	DCGB	
NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	103769	SWHCZIFXXIJZAU-SECBINFHSA-N	317.798	0.731	50	40	DCGB	
O=S1(=O)CC[C@@H](NC(=S)OC[C@H](Cl)CCl)C1	59568584	LYFCOUTYNAFKFH-RNFRBKRXSA-N	306.236	0.911	50	40	DCGB	
N#Cc1ccc(OCC(=O)NNC(=O)c2ccc[nH]c2=O)cc1	12940973	FCYDLDMZGZAHQM-UHFFFAOYSA-N	312.285	0.087	50	40	DCGB	
O=C(O)/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	13786140	JQCLOXWLBJDKMQ-SREVYHEPSA-N	300.274	0.479	50	40	DCGB	
O=C(COc1ccccc1Cl)NNC(=O)c1ccc(=O)[nH]c1	16043583	VHFDJDWMJDNIIT-UHFFFAOYSA-N	321.720	0.868	50	40	DCGB	
CCNC(=S)NNC(=O)c1cncc(Br)c1	7780300	NGJPSXSDSGYQRQ-UHFFFAOYSA-N	303.185	0.973	50	40	DCGB	
C=CCc1cccc2cc(C(=O)NNC(N)=S)c(=O)oc12	5725890	WUBMYRFRJBLHAJ-UHFFFAOYSA-N	303.343	1.000	50	40	DCGB	
N#CCOc1ccccc1/C=N/NC(=O)CN1CCOCC1	19851649	YVSCHHXFFZCTCN-GZTJUZNOSA-N	302.334	0.371	50	40	DCGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1ccc2c(c1)OCO2	59516230	YCVAZMFEVIJAFM-CAOOACKPSA-N	312.285	0.899	50	40	DCGB	
COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1OC	4491846	WLUYQFFLPPNMBJ-UHFFFAOYSA-N	321.333	0.087	50	40	DCGB	
Nc1nonc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1030230	NSYMHNWRFONSEN-YIXHJXPBSA-N	310.657	0.977	50	40	DCGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cn2cncn2)c1O	61869532	LTLSMCTUUZSNMM-LNKIKWGQSA-N	320.265	0.051	50	40	DCGB	
O=C1C[C@H](NNC(=O)c2ccc(Br)cc2)C(=O)N1	210259	ZICLLCPCTXWNPD-QMMMGPOBSA-N	312.123	0.099	50	40	DCGB	
Cn1cc(/C=N/NC(=O)CN2CCOCC2)c2ccccc21	59246933	XVDNEJRXTCTREV-LICLKQGHSA-N	300.362	0.961	50	40	DCGB	
C=CCc1cc(/C=N/NC(N)=O)cc(OC)c1OCC(=O)O	59678316	AUUBWIHCUSHXHB-FRKPEAEDSA-N	307.306	0.889	50	40	DCGB	
CC(C)(C)c1cc(C(=O)NNS(=O)(=O)c2cccnc2)[nH]n1	71279722	GBOGSNUEAQCCEC-UHFFFAOYSA-N	323.378	0.726	50	40	DCGB	
Cc1c(C(=O)N/N=C\c2ccccc2)nnn1-c1nonc1N	33288181	ZZRDUKDZCVPDCI-CHHVJCJISA-N	312.293	0.305	50	40	DCGB	
CC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCCOCCCl	1597718	XBMKSDHZNPOWSA-RKDXNWHRSA-N	310.730	0.668	50	40	DCGB	
O=S1(=O)C[C@@H](Br)[C@@H](OCCBr)C1	3163140	OKSOBYHGXSRHHO-RITPCOANSA-N	322.018	0.958	50	40	DCGB	
CN1CCC2(CC1)[C@H]1CN(C)CC=C1C(C#N)=C(N)C2(C#N)C#N	19816488	OKZFPFAXXPZZIS-HNNXBMFYSA-N	322.416	0.970	50	40	DCGB	
COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1	260215	VMHBROYMJYGJLR-UHFFFAOYSA-N	301.302	0.930	50	40	DCGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc[nH]c1=O	12984764	KIWZDWVFENBCJV-SECBINFHSA-N	319.292	0.743	50	40	DCGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccs1	2520697	IZHNQLWHMKGTBP-WLRTZDKTSA-N	318.322	0.366	50	40	DCGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(O)cc1O	2282263	YVOJOKHPLRZEQD-FRKPEAEDSA-N	303.274	0.571	50	40	DCGB	
Cc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1cccs1	6279854	QBGAKKJOYCLFLP-UHFFFAOYSA-N	323.330	0.971	50	40	DCGB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(N)=O)CC1	409006477	JMPVPBXUTBLRLM-XYOKQWHBSA-N	315.333	0.739	50	40	DCGB	
CCOC(=O)NC(=O)/C(C#N)=C\N[C@H](C(=O)NC)C(C)(C)C	100219504	VDFOTILIJNQMGO-HSTULFTRSA-N	310.354	0.417	50	40	DCGB	
CCN(CC(=O)NN)S(=O)(=O)c1cc(C)ccc1OC	6205033	XUTZKDVGYNTYLY-UHFFFAOYSA-N	301.368	0.004	50	40	DCGB	
Cn1nc([N+](=O)[O-])nc1SSc1nc([N+](=O)[O-])nn1C	95116217	IIVHWYZNHUUPDA-UHFFFAOYSA-N	318.300	0.559	50	40	DCGB	
O=S(=O)(CCCCCl)N1CC[C@H](CN2CCOCC2)C1	95946070	NEFPXOLZXNLQBW-CYBMUJFWSA-N	324.874	0.989	50	40	DCGB	
COC(=O)CC/C(=N\NC(=O)c1ccc(OC)cc1)C(=O)OC	16216260	OXRMHYCMZRCITR-FOWTUZBSSA-N	322.317	0.907	50	40	DCGB	
O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)[C@H](O)c1ccccc1	4132134	AJBZCPZNAVRCKK-ZBQKXELDSA-N	324.314	0.710	50	40	DCGB	
COc1c(O)ccc(/C=N/NC(=O)c2nonc2N)c1[N+](=O)[O-]	16194647	MSQZHVDSUYFTOF-YIXHJXPBSA-N	322.237	0.038	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)Cc2cc(O)n[nH]2)c1	32576838	NWYQITJZSFRLMM-OVCLIPMQSA-N	304.306	0.825	50	40	DCGB	
CC[C@H](NNC(=O)c1cccn1C)C(=O)Nc1cc(C)on1	32853679	UWUXWOHIFAIHLH-JTQLQIEISA-N	305.338	0.973	50	40	DCGB	
CCCCN(C(=O)CCl)c1c(N)n(CCC)c(=O)[nH]c1=O	3886744	GGLVBFJXJFVEQO-UHFFFAOYSA-N	316.789	0.901	50	40	DCGB	
O=C(CCl)OCC(COC(=O)CCl)OC(=O)CCl	1583818	XKMCNTNSJGQDLU-UHFFFAOYSA-N	321.540	0.701	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccccc1	6931139	FJRDPFMPKMPYCF-JBBSTSQOSA-N	316.313	0.492	50	40	DCGB	
COc1ccc(C(=O)N/N=C2/SCC(=O)N2C)c(OC)c1	4231740	AUQKLJFJWWEOGQ-FYWRMAATSA-N	309.347	0.910	50	40	DCGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)o1	1878459	GBERMOHFNZYZIZ-LHHJGKSTSA-N	316.281	0.206	50	40	DCGB	
O=S1(=O)C[C@H](Cl)[C@H](OS(=O)(=O)c2ccccc2)C1	3124754	QTKLLKYXEBAZKY-VHSXEESVSA-N	310.780	0.796	50	40	DCGB	
Cn1c(SCC(=O)NNC(=O)c2ccco2)nnc1C1CC1	9254627	BUNXZOSGFNMDLX-UHFFFAOYSA-N	321.362	0.839	50	40	DCGB	
Cc1cc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)no1	575424448	LHBOYXQQEJLECD-BQBZGAKWSA-N	309.800	0.674	50	40	DCGB	
CCn1nc(C(=O)NNC(=O)C(C)C)c2ccccc2c1=O	14185848	PVJFVETUWFNSIP-UHFFFAOYSA-N	302.334	0.833	50	40	DCGB	
O=C(CN1C(=O)c2ccccc2C1=O)OCCNCCCl	1763330	WKFRPDMTMZTTPQ-UHFFFAOYSA-N	310.737	0.654	50	40	DCGB	
O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccn1	12457686	CRZPCWYNKYULGN-ZDUSSCGKSA-N	311.297	0.624	50	40	DCGB	
COCc1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	4453341	WKWMGSSKGYYUES-MRXNPFEDSA-N	323.312	0.881	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1CC1	8734608	GEKODKWWQCIYLT-UHFFFAOYSA-N	310.379	0.459	50	40	DCGB	
O=C(COC(=O)C1=COCCO1)NNC(=O)c1ccccc1F	2663603	MDKSRLMEXUNBTP-UHFFFAOYSA-N	324.264	0.018	50	40	DCGB	
N#CC1=C(N)O[C@]2(N3CCOCC3)CCCC[C@@H]2C1(C#N)C#N	19931932	VTMMTIMMPSNWFI-CZUORRHYSA-N	313.361	0.963	50	40	DCGB	
O=S1(=O)C[C@H]2N=C3S[C@@H](CBr)CN3[C@H]2C1	5224750	CWWYRCAKFSRBHT-XVMARJQXSA-N	311.226	0.334	50	40	DCGB	
COc1cc(/C=N/NC(=O)Cn2cncn2)cc(OC)c1OC	547976	LLMZIEHPICZQER-OMCISZLKSA-N	319.321	0.454	50	40	DCGB	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)NC1CC1	2788410	XTYTUEWYIBMRQX-UHFFFAOYSA-N	321.328	0.868	50	40	DCGB	
COc1cc(/C=N/O)c(Br)cc1OCC(=O)NN	2799598	BVSCFCXUHBOQNM-YIXHJXPBSA-N	318.127	0.635	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(N)=O)cc(Br)c1O	3526902	QFGTWSKAESBWNU-YIXHJXPBSA-N	316.111	0.099	50	40	DCGB	
C[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	32859653	IUZMCBQYXNRWLH-GZMMTYOYSA-N	321.289	0.555	50	40	DCGB	
CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OC	83292672	PLOGUUNWGWLULM-BOPFTXTBSA-N	321.377	0.876	50	40	DCGB	
Cc1cc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)no1	575424459	LHBOYXQQEJLECD-RNFRBKRXSA-N	309.800	0.674	50	40	DCGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CC(=O)NC2=S)cc1	6487261	GPLOHVHPULDLOP-YRNVUSSQSA-N	321.383	0.850	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1C	408603858	HHYRRZJRMVHOBJ-SECBINFHSA-N	301.368	0.050	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1C[C@@H]1C	9364153	YTWRPAFNXHNUHB-WPRPVWTQSA-N	324.406	0.705	50	40	DCGB	
CCc1ccc(/C=N/NC(=O)Cc2nnc(O)[nH]c2=O)cc1	56040	CMKQXLUOJDYNPR-OVCLIPMQSA-N	301.306	0.126	50	40	DCGB	
O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1	141398	ZVHZQSHVRQBYEX-UHFFFAOYSA-N	322.324	0.858	50	40	DCGB	
COc1ccc(N2C[C@@H](C(=O)NNC(=O)C(C)C)CC2=O)cc1	32770175	ONGNZOFQKJWJNP-NSHDSACASA-N	319.361	0.852	50	40	DCGB	
O=C(COc1ccccc1)NCC(=O)N/N=C/c1cccnc1	2268678	CTOJTWBVEUZUBT-VXLYETTFSA-N	312.329	0.727	50	40	DCGB	
CN(CCSS(C)(=O)=O)CCSS(C)(=O)=O	22052357	ABQUMPOKSRUKKS-UHFFFAOYSA-N	307.484	0.304	50	40	DCGB	in-vitro
CCOC(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1	9155101	GBTSPTDZEKUHOV-UHFFFAOYSA-N	301.280	0.061	50	40	DCGB	
COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1C	96492114	LRBDLKDHKDKKDP-NTMALXAHSA-N	319.317	0.900	50	40	DCGB	
NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1	45953620	NXNIWWYWCIPHJB-ZETCQYMHSA-N	302.739	0.452	50	40	DCGB	
Cc1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N	1835317	OCTIWZKXZFPAAH-WLRTZDKTSA-N	318.322	0.366	50	40	DCGB	
O=C(CNC(=O)c1ccncc1)N/N=C/c1ccc([N+](=O)[O-])o1	1826788	NWVICMQRNBURHC-FRKPEAEDSA-N	317.261	0.463	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccccc1	409381330	FJRDPFMPKMPYCF-YMEQNVIZSA-N	316.313	0.492	50	40	DCGB	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=S)NC1CC1	2778722	BHYXLIXPHPPBCK-UHFFFAOYSA-N	307.301	0.710	50	40	DCGB	
O=C1N[C@@H]2[C@H](I)[C@@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)O	950757517	MUPLXNKKZNASQI-VXGWJHEQSA-N	307.087	0.255	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(O)c(OCC)c1	3062087	MYCANEACTNNBQV-LICLKQGHSA-N	305.334	0.933	50	40	DCGB	
Cn1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1=O	44598093	QEHINHYEALWJOZ-UHFFFAOYSA-N	315.285	0.189	50	40	DCGB	
CSC(=S)NNC(=O)CSc1nc(C)cc(O)n1	16283865	IZPIXLJDIBBZJK-UHFFFAOYSA-N	304.422	0.851	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1O	20072922	MFYNBAYNKTWRRP-MHWRWJLKSA-N	307.350	0.573	50	40	DCGB	
NNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	4013912	ATNRQUWWDJOENL-UHFFFAOYSA-N	311.253	0.974	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccncc1	100943783	PNYQQNXBCVBDAN-BJDJZHNGSA-N	301.302	0.366	50	40	DCGB	
Nc1nonc1C(=O)N/N=C/c1ccc(Br)o1	2236384	QQMJLGYVMWEYHO-QDEBKDIKSA-N	300.072	0.771	50	40	DCGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN2CCOCC2)cc1	408719559	VONIAWKGFVQBDD-LDADJPATSA-N	318.377	0.817	50	40	DCGB	
O=C(O)c1csc(S(=O)(=O)NNC(=O)c2ccco2)c1	9950459	HEULWRMCTCSWOF-UHFFFAOYSA-N	316.316	0.663	50	40	DCGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccn2C)c1C	12699196	KQMFUNIWPJWACD-UHFFFAOYSA-N	318.333	0.831	50	40	DCGB	
O=C1NC(=O)[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)N1	101426509	QGUCGMKQRYXNBW-LLVKDONJSA-N	302.117	0.756	50	40	DCGB	
NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1	379717	BYPOLGZQCHPOBT-UHFFFAOYSA-N	319.386	0.867	50	40	DCGB	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccn1	95469353	PGPPKHWUVCLLRA-UHFFFAOYSA-N	302.250	0.042	50	40	DCGB	
CN(C)c1ccc(/C=N/NC(=O)CNC(=O)n2ccnc2)cc1	13215918	PONDIWWLCSHYGY-GIJQJNRQSA-N	314.349	0.657	50	40	DCGB	
CC(=O)NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	5659469	GXWGHOGTMGJYHU-UHFFFAOYSA-N	316.408	0.274	50	40	DCGB	
Cc1nc2ccccc2c(=O)n1CCC(=O)NNC(=O)C(C)C	32673985	SFPAMRSQZAUFKI-UHFFFAOYSA-N	316.361	0.898	50	40	DCGB	
CCOC(=O)CCC(=O)NNC(=O)COc1ccccc1C#N	7961034	MNYIFESRAQQHSA-UHFFFAOYSA-N	319.317	0.428	50	40	DCGB	
CC(=O)NNC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1	920596	RLVXITBFJRPBOZ-UHFFFAOYSA-N	308.729	0.551	50	40	DCGB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)C(Cl)(Cl)Cl	1462221	IRCRGVHTYRYWMH-DMTCNVIQSA-N	315.005	0.877	50	40	DCGB	
CCN1CCC(=NNC(=O)CCn2cnc([N+](=O)[O-])n2)CC1	54970659	AOLLWPXDBPKYJW-UHFFFAOYSA-N	309.330	0.164	50	40	DCGB	
COCCN1C(=O)C[C@H](NNC(=O)c2ccc(C)cc2)C1=O	95351773	KFMCBGZKCPYDDG-LBPRGKRZSA-N	305.334	0.003	50	40	DCGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccnc2)cc1	59516132	HBWGBKYXCOKPBK-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
O=C(CC(=O)N/N=C/c1ccccc1O)NCc1cccnc1	4851669	LIWJOBGHJKRIRH-YBFXNURJSA-N	312.329	0.944	50	40	DCGB	
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)Nc1cccnc1	100922292	CYXLHTFMCYKOAT-VXLYETTFSA-N	319.365	0.817	50	40	DCGB	
C/C(=N\NC(=O)c1c(N)no[n+]1[O-])c1ccc(Cl)s1	4559154	FLKFHVWIKWXEAZ-UUILKARUSA-N	301.715	0.759	50	40	DCGB	
Nc1nc2c(ncn2CCN(CCCl)CCCl)c(=O)[nH]1	73369102	TYALWOPMBRFYQS-UHFFFAOYSA-N	319.196	0.481	50	40	DCGB	
C[N+](C)(C)CC(=O)N/N=C/c1cccc(S(=O)(=O)O)c1	1847189	QNHVKBQTUCEFHH-MDWZMJQESA-O	300.360	0.090	50	40	DCGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1	58882278	DKFLJRYRRNQPOL-FNQVVVRFSA-N	307.350	0.421	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)OCCO2	104651765	VCZIWTUOAJBBRB-LUAWRHEFSA-N	302.286	0.940	50	40	DCGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1C(=O)NN)C(=O)C=[N+]=[N-]	16034530	HUWPBLWVKIICNU-ZANVPECISA-N	317.349	0.304	50	40	DCGB	
C/C(=N\NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccc(F)cc1	36253011	ZDDAZAVWAYSQKH-CAOOACKPSA-N	319.296	0.070	50	40	DCGB	
COc1ccc(Cn2c(N)c(C(=O)CCl)c(=O)[nH]c2=O)cc1	72415062	YEBICXUOOFEJCC-UHFFFAOYSA-N	323.736	0.597	50	40	DCGB	
O=S1(=O)C[C@@H]2[C@H](C1)N=C1S[C@H](CBr)CN12	16137489	CWWYRCAKFSRBHT-DSYKOEDSSA-N	311.226	0.334	50	40	DCGB	
O=C(NNC(=O)C1CC1)c1ccc(S(=O)(=O)NC2CC2)cc1	22882169	LTAUIQWZSQKORN-UHFFFAOYSA-N	323.374	0.298	50	40	DCGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc[nH]c1=O	12940928	JNFSZSBSYDRNOQ-UHFFFAOYSA-N	301.302	0.523	50	40	DCGB	
CC(C)C(=O)NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	32797810	GVZOFIQSQAMKGD-UHFFFAOYSA-N	303.296	0.266	50	40	DCGB	
O=C1N[C@@H]2[C@@H](I)[C@@H]3C[C@@H]2[C@H]1[C@H]3C(=O)O	950757516	MUPLXNKKZNASQI-MREPKMFUSA-N	307.087	0.255	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O	5603311	VCLCYBCASZVNOJ-JXUBOQSCSA-N	324.358	0.696	50	40	DCGB	
CC12CN(C(=O)CCl)CC(C)(CN(C(=O)CCl)C1)C2=O	205976	BALLHOLNOJOVSH-UHFFFAOYSA-N	321.204	0.730	50	40	DCGB	
Cc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N	138281	ZZRDUKDZCVPDCI-VIZOYTHASA-N	312.293	0.305	50	40	DCGB	
CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(C2CC2)C1=O	2368479	OSXQMBBWLSQBNJ-CLFYSBASSA-N	310.379	0.087	50	40	DCGB	
O=C1C[C@@H](C(=O)O)SC(NNC(=O)c2ccc(F)cc2)=N1	538565	WGVKFCYFDIVPAK-QMMMGPOBSA-N	311.294	0.533	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	59459656	JNJWZJQFYPOODO-MHWRWJLKSA-N	322.321	0.588	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1O	59515816	INVGLXCOHXUFAT-CPWFCVNUSA-N	321.333	0.146	50	40	DCGB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccn1	43930928	YFYGUSYIIBJCGS-VIFPVBQESA-N	308.338	0.756	50	40	DCGB	
O=C(O)CCC(=O)NNC(=O)CCC(=O)NCc1ccccc1	4523984	KYLZIUXMQGTXAY-UHFFFAOYSA-N	321.333	0.095	50	40	DCGB	
COc1ccc(/C=N\NC(=O)CNC(=O)n2ccnc2)cc1	31769304	BZBXYBQCBRIOQN-IUXPMGMMSA-N	301.306	0.600	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC	5511584	STEFRWVYUKCKEP-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
Nc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	100769829	DMXCVLQJDZTNQC-CQSZACIVSA-N	324.340	0.835	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)c2cccnc2)nc2ccccc21	33029016	PQMUMVJGRPVAGY-UHFFFAOYSA-N	309.329	0.972	50	40	DCGB	
CCOC(=O)[C@@H](N)CCSSCC[C@@H](N)C(=O)OCC	17430004	HZSUCHDNRMUJGU-AOOOYVTPSA-N	324.468	0.929	50	40	DCGB	
COCC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)OC)=C(N)O1	481846	GTCDQIGGGHBYSU-GFCCVEGCSA-N	301.302	0.963	50	40	DCGB	
O=S1(=O)C[C@@H](Br)[C@H](OCCBr)C1	3163138	OKSOBYHGXSRHHO-PHDIDXHHSA-N	322.018	0.958	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccccc1OC	59459639	PTHMZUOXCFQDLG-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
NNC(=O)c1cc[n+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	226823055	QNNOKFFYYCGEOL-UHFFFAOYSA-O	316.297	0.125	50	40	DCGB	
CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NN)cc1	6322623	LBCFUXSCUPZYJM-UHFFFAOYSA-N	301.368	0.132	50	40	DCGB	
Cc1ccc(-n2nc(C(=O)NN)c3csc(N)c3c2=O)cc1	5546452	HZRCSWLTAGJXMG-UHFFFAOYSA-N	315.358	0.941	50	40	DCGB	
COc1c([C@H]2ON=C(C(=O)NN)[C@H]2C)cc2c(c1OC)OCO2	15082573	GFKLQWQCYNWQJV-LDWIPMOCSA-N	323.305	0.486	50	40	DCGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	5530987	NNNSPHRDARMNOU-JTQLQIEISA-N	311.257	0.896	50	40	DCGB	
CO[C@@H]1CS(=O)(=O)[C@H](Br)[C@@H]1Br	3913886	JNWCQYXPAKQRIG-WDCZJNDASA-N	307.991	0.914	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)c1ccc(C)cc1	103097751	TXBHINDVUGCZSU-QBFSEMIESA-N	315.329	0.593	50	40	DCGB	
CCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c(=O)[nH]c2=O)cc1	39393083	PVCQSHSHPWKTRS-PXNMLYILSA-N	316.317	0.534	50	40	DCGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC(N)=O	409221590	SLYOBFFVNQNXIA-LREOWRDNSA-N	304.218	0.425	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OC	32116924	LFTSEPIYEXPRGL-RQZCQDPDSA-N	307.350	0.926	50	40	DCGB	
COc1cc(/C=N/NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1O	32979	LPUHSRRMZOSMSE-LHHJGKSTSA-N	320.265	0.051	50	40	DCGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1	2132012	VWZFRGHQLDMFJR-UHFFFAOYSA-N	307.306	0.661	50	40	DCGB	
CCS(=O)(=O)[C@@H](I)[C@@H](O)C1CC1	96519307	LTJXMOJFWBMYQJ-NKWVEPMBSA-N	304.149	0.953	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1	5333989	DPNMPVLDRYJQRS-GZTJUZNOSA-N	306.366	0.355	50	40	DCGB	
COc1ccc([C@]2(C)NC(=O)N(NC(=O)CCl)C2=O)cc1	9690942	DYBOUCWZPBKPIW-ZDUSSCGKSA-N	311.725	0.732	50	40	DCGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1	5511387	CVHDAJSXMIHPIV-LICLKQGHSA-N	317.345	0.982	50	40	DCGB	
Cc1cc2c(c(=O)n1CCO)[C@H](c1cccnc1)C(C#N)=C(N)O2	4304078	YIPGVNTXTFBBKC-CQSZACIVSA-N	324.340	0.762	50	40	DCGB	
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	7986303	UDWPDBKKCGKGEJ-UHFFFAOYSA-N	316.810	0.899	50	40	DCGB	
NC(=O)N/N=C\C(Br)=C(/Br)C(=O)O	104333418	LAXIMGVCGOEVAN-KSVKMGPRSA-N	314.921	0.727	50	40	DCGB	
CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	58883226	LMTZNAKZSAXTLA-QJVAEYLJSA-N	319.361	0.831	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1O	2381343	KHGPCZPKQIKUCN-GIDUJCDVSA-N	311.725	0.783	50	40	DCGB	
Cc1nnc(NNC(=O)c2ccc(OC(F)F)cc2)[nH]c1=O	11334814	DRQDGXMBEBWZKS-UHFFFAOYSA-N	311.248	0.832	50	40	DCGB	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	44976051	CGFMLKGBNQJBGI-GHMZBOCLSA-N	309.347	0.900	50	40	DCGB	
COc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1	9530672	IINQXUVPXBGMAU-NEPJUHHUSA-N	317.794	0.758	50	40	DCGB	
N#CCC(=O)NN[C@H]1CC(c2ccccc2)=NN1C(=O)CC#N	48179	LCESFHDRHGSYML-CYBMUJFWSA-N	310.317	0.397	50	40	DCGB	
C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NN	10041267	KGOROPVXUMIKFC-ZCFIWIBFSA-N	322.184	0.106	50	40	DCGB	
CC1(C)[C@@]2(CBr)CC[C@@]1(C(N)=O)C(=O)OC2=O	103708048	SOIIWGPTVRVIRP-GHMZBOCLSA-N	304.140	0.743	50	40	DCGB	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccccc1)CS2	12863448	PKZTYOCHIZEWDT-IAQYHMDHSA-N	319.386	0.902	50	40	DCGB	
COc1cc(/C=N/NC(=O)C[n+]2ccccc2)cc(OC)c1O	2705289	QGUOWHIPWKHFRR-UHFFFAOYSA-O	316.337	0.847	50	40	DCGB	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCNC(C)=O	9500249	MYNVIZPVRRXCMW-UHFFFAOYSA-N	313.741	0.636	50	40	DCGB	
COc1c(C[C@H]2CC(C(=O)NN)=NO2)cc2c(c1OC)OCO2	12418021	MPWKOAAYDITALN-QMMMGPOBSA-N	323.305	0.110	50	40	DCGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1	7869660	UEONRBHCVWLEDV-LDADJPATSA-N	319.361	0.854	50	40	DCGB	
Cc1nn(CC(=O)NNC(=O)c2ccco2)c(C)c1[N+](=O)[O-]	2759857	BNRUIQDUFLXHGF-UHFFFAOYSA-N	307.266	0.462	50	40	DCGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)C1=NNC(=O)CC1	6736706	KDNAVKBSONVDNR-UHFFFAOYSA-N	324.724	0.376	50	40	DCGB	
O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)O)cc3C2=O)C(=O)O1	104550418	PBXCCYLWUUIAMA-SECBINFHSA-N	303.226	0.213	50	40	DCGB	
CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	8198638	IJVQIDBZBKILNL-GFCCVEGCSA-N	322.321	0.517	50	40	DCGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1	547714	QGIIUAZYLZVHFL-CXUHLZMHSA-N	316.369	0.252	50	40	DCGB	
Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccccc3)nc2n1	3395805	LMOHGFVBJYQTCO-UHFFFAOYSA-N	310.317	0.816	50	40	DCGB	
CN(NC(=O)C(=O)NCc1ccco1)C(=O)NC1CCCCC1	1574191	RGCGYXFEKWXCJI-UHFFFAOYSA-N	322.365	0.901	50	40	DCGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(N)=O	408997215	LZJCBZOYUYHESS-YRNVUSSQSA-N	302.290	0.824	50	40	DCGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)C(N)=O	5163919	YHVKQHBHWLOYRH-FRKPEAEDSA-N	305.725	0.770	50	40	DCGB	
CC12CN3CCN(CC(C3)/C1=N/NC(=O)c1ccccc1N)C2	22920688	MEWUHQVIPVUTND-CYVLTUHYSA-N	313.405	0.622	50	40	DCGB	
CCNC(=S)NNC(=O)[C@H](C)N1C(=O)COc2ccccc21	15019924	FJWDDIYJHQQFNB-VIFPVBQESA-N	322.390	0.316	50	40	DCGB	
O=C(COc1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	9476652	UUFXWSSYXDDVPQ-MNOVXSKESA-N	303.767	0.586	50	40	DCGB	
CN1C(=O)/C(=N\NC(=O)C(=O)N2CCCC2)c2ccccc21	59520259	KVNSZKAZLAUNKZ-VBKFSLOCSA-N	300.318	0.106	50	40	DCGB	
CCOC(=O)[C@@]1(NC(C)=O)C[C@@](C)(CBr)OC1=O	35327428	KLNZAMIVBNUXGC-QWRGUYRKSA-N	322.155	0.525	50	40	DCGB	
COc1ccc(/C=N/NC(=O)Nc2nonc2N)cc1OC	507709	DZXAXKMBUKWIQW-MKMNVTDBSA-N	306.282	0.825	50	40	DCGB	
COCC1=C(C(=O)OC)[C@@H](c2ccncc2)C(C#N)=C(N)O1	4175451	ADEOYJBTIAZGSK-LBPRGKRZSA-N	301.302	0.963	50	40	DCGB	
CCn1c(O)c(C(=O)NNC(=O)CCl)c(=O)c2ccccc21	5909323	GCKFRCDEOGDWFB-UHFFFAOYSA-N	323.736	0.727	50	40	DCGB	
C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)C2CC2)C1=O	58358214	PAJIGSLYWGPBQF-VIFPVBQESA-N	303.318	0.358	50	40	DCGB	
CCCCCCC(=O)NNC(CC)=C1C(=O)NC(=O)NC1=O	9348515	NMJYXADNNRFABW-UHFFFAOYSA-N	310.354	0.608	50	40	DCGB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	32859651	IUZMCBQYXNRWLH-KWQFWETISA-N	321.289	0.555	50	40	DCGB	
COCCNC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264893927	GIUQSNKCNXKVTA-KPKJPENVSA-N	304.302	0.820	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1O	5463760	QREGJUJPCISZDX-LICLKQGHSA-N	323.349	0.394	50	40	DCGB	
COc1ccc(/C=N\NC(=O)Cc2nnc(N)s2)c(OC)c1	5513251	MBQSZDCAYGNYRZ-CHHVJCJISA-N	321.362	0.830	50	40	DCGB	
C=CCOC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OCC=C	4521346	NXFWNJIOCGUEPY-UWVGGRQHSA-N	320.436	0.481	50	40	DCGB	in-vitro
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)OCCN1CCCCC1	575422991	NFQZCLPJQLYOHN-QWRGUYRKSA-N	324.830	0.603	50	40	DCGB	
O=C(Cc1ccc(F)cc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	9576073	UVIITPYZAVBQTG-MNOVXSKESA-N	305.758	0.889	50	40	DCGB	
COc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1	9530668	IINQXUVPXBGMAU-NWDGAFQWSA-N	317.794	0.758	50	40	DCGB	
O=C(CCC(=O)N/N=C/c1cccnc1)N/N=C/c1cccnc1	5676385	HPYFHECIPUCSMS-AYKLPDECSA-N	324.344	0.857	50	40	DCGB	
COc1cc(C(=O)NN)ccc1-c1ccc(C(=O)NN)cc1	271963	JHNBEJZZWFWQTI-UHFFFAOYSA-N	300.318	0.569	50	40	DCGB	
Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C\c1ccc2c(c1)OCO2	32705937	IMJGOIBXQQWKGF-RZNTYIFUSA-N	317.261	0.821	50	40	DCGB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)OCCN1CCCCC1	575422988	NFQZCLPJQLYOHN-GHMZBOCLSA-N	324.830	0.603	50	40	DCGB	
COc1ccccc1C(O)(C(=O)NN)c1ccccc1OC	333949	RHFATMZPEXZTKK-UHFFFAOYSA-N	302.330	0.930	50	40	DCGB	
COC(=O)Cc1n[nH]c2c1[C@@]1(CCO[C@H]1C)C(C#N)=C(N)O2	4010277	OXUPYAQJVOZFJF-JKYUHCHBSA-N	304.306	0.258	50	40	DCGB	
C/C(=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccc(F)cc1	5012104	ZDDAZAVWAYSQKH-IUXPMGMMSA-N	319.296	0.070	50	40	DCGB	
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)oc1C	7778570	CUNIXNYVKSHMRM-HQJQHLMTSA-N	310.354	0.740	50	40	DCGB	
CCN(CC)S(=O)(=O)c1cc(C(=O)NN)ccc1OC	223469303	UDAWDMHTLVJLNE-UHFFFAOYSA-N	301.368	0.329	50	40	DCGB	
COc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	4716661	JJQXPQIPXWHPMK-NXEZZACHSA-N	303.767	0.829	50	40	DCGB	
COc1ccccc1OCC(=O)OCC(=O)/C(C#N)=C(\C)N	5643650	GAQWIQHWUOYDPD-ZHACJKMWSA-N	304.302	0.943	50	40	DCGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN1CCOCC1	408719963	QMRYDJIZJWJLGI-OQLLNIDSSA-N	322.321	0.386	50	40	DCGB	
CCOC(=O)NNC(=O)Cn1c(C)nc2ccccc2c1=O	45140211	RANFJIAMPMSLNL-UHFFFAOYSA-N	304.306	0.482	50	40	DCGB	
C=CCn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O	8724558	GFFSZMODKKFURN-UHFFFAOYSA-N	321.768	0.883	50	40	DCGB	
O=C(NNS(=O)(=O)c1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1	32786846	AUZVYIMAMZZKJW-SNVBAGLBSA-N	323.374	0.007	50	40	DCGB	
O=C(NC[C@@H]1CCS(=O)(=O)C1)OC(CCl)CCl	59568380	AABBQGRRENOIOQ-ZETCQYMHSA-N	304.195	0.994	50	40	DCGB	
CCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O	294788	YLPOIPLYCBSMCL-UHFFFAOYSA-N	303.318	0.898	50	40	DCGB	
O=C(CSc1cccc[n+]1[O-])NNC(=O)c1ccccc1	2725817	QZAHROVXMULISN-UHFFFAOYSA-N	303.343	0.873	50	40	DCGB	
COC(=O)C(C(=O)OC)C1=NC[C@@H](Br)CS1	5051697	YTOLZWYWNOVVQC-RXMQYKEDSA-N	310.169	0.857	50	40	DCGB	
C#CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1	19851630	GWROHZBOBFMTOJ-SFQUDFHCSA-N	301.346	0.481	50	40	DCGB	
CCOC(=O)CN1C(=O)/C(=N/NC(=O)OC)c2ccccc21	13534724	SOJHVBUXXGMNFU-NTCAYCPXSA-N	305.290	0.656	50	40	DCGB	
CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)OCCO1	15223183	DESISWGRJINIEV-RIYZIHGNSA-N	309.278	0.904	50	40	DCGB	
Cn1c(=O)c2[nH]c(N(CCCl)CCCl)nc2n(C)c1=O	4715208	KHDCLPJLMVSHME-UHFFFAOYSA-N	320.180	0.244	50	40	DCGB	
O=C(O)/C=C\C(=O)NNC(=O)CSc1nc2ccccc2[nH]1	100834489	JIBFFYDSIIFSJA-WAYWQWQTSA-N	320.330	0.443	50	40	DCGB	
CNC(=O)/C(C#N)=C1/S[C@H](CCO)C(=O)N1c1ccccc1	520489	IEMMAGJWWXAPBZ-PKVLTRFUSA-N	317.370	0.999	50	40	DCGB	
Cn1ncc(Br)c1C(=O)NNC(=S)NC1CC1	2777725	UWCMJJGMRYHIGE-UHFFFAOYSA-N	318.200	0.454	50	40	DCGB	
COC(=O)/C=C1/SC(NNC(=O)c2ccc(C)cc2)=NC1=O	13895235	VIGTUKVYBPTTML-JXMROGBWSA-N	319.342	0.916	50	40	DCGB	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc(=O)[nH]c1	9338292	YTGUKIZLOOCSSH-UHFFFAOYSA-N	323.312	0.635	50	40	DCGB	
CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(Cl)c1	7725957	MPQGKHLNECKLBQ-UHFFFAOYSA-N	319.770	0.174	50	40	DCGB	
O=C(NNC(=O)c1ccccc1)C(=O)[C@@H]1C(=O)Nc2ccccc21	102139442	CPTPSDIKEYRMMG-CYBMUJFWSA-N	323.308	0.753	50	40	DCGB	
COc1ccc(CNC(=O)/C(C#N)=C/N2CCN(C)CC2)cc1	20403624	KRPYHNXZXWGHIK-FYWRMAATSA-N	314.389	0.966	50	40	DCGB	
Cc1nccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1	58345413	BCAQHCQVPFOSBL-UHFFFAOYSA-N	300.274	0.589	50	40	DCGB	
COc1ccc(C(=O)N/N=C(\C)Cn2nnc([N+](=O)[O-])n2)cc1	27062585	SRHQXODCAGISPE-MDWZMJQESA-N	319.281	0.396	50	40	DCGB	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCN1CCOCC1	16791092	FJCWZDJYNREWJS-KAMYIIQDSA-N	301.346	0.748	50	40	DCGB	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1	30578862	AONMMUVFXQDKII-JTQLQIEISA-N	321.333	0.825	50	40	DCGB	
O=C(CSc1ncnc2[nH]cnc12)N/N=C/c1cccnc1	5387501	ROCCXSWMFNQZAK-PTXOJBNSSA-N	313.346	0.990	50	40	DCGB	
CC[C@H](C)NN(CCCN(CC)CC)C(=O)C1=NNC(=O)C1	102884791	GEKUEKSLTGIXJJ-LBPRGKRZSA-N	311.430	0.726	50	40	DCGB	
Cc1ccc(C(=O)N[C@@]2(C(Cl)Cl)N=C(N)NC2=O)cc1	101426312	FYNOYQGJGFHBPT-LBPRGKRZSA-N	315.160	0.669	50	40	DCGB	
CCCCn1nnnc1SCC(=O)NNC(=O)c1ccco1	4882979	YYMCDJWFVUVBDV-UHFFFAOYSA-N	324.366	0.620	50	40	DCGB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C(/C#N)C(N)=S)cc21	72334084	BVPFSPPSWIILAS-BAQGIRSFSA-N	317.330	0.978	50	40	DCGB	
CCn1ncc(/C=N/NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])c1F	252499797	SEQCKUHVCQFXBS-LHHJGKSTSA-N	323.288	0.756	50	40	DCGB	
CC(C)(C)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O	1622427	SPZHRMWUYFFALS-UHFFFAOYSA-N	323.180	0.653	50	40	DCGB	
CCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(CCCC)C1=O	9357159	CRCCPWUWUCDGMD-ZRDIBKRKSA-N	324.381	0.950	50	40	DCGB	
O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccs1	19831276	RRGQHQIVVQKRLG-LFIBNONCSA-N	324.406	0.037	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)NNCc1ccccc1Cl	5583944	PUVQLGZZANQIQN-NSHDSACASA-N	311.769	0.756	50	40	DCGB	
COc1cc(/C=N/NC(=O)CSc2ncn[nH]2)ccc1O	5526644	QKXTULSQWVMVEY-LHHJGKSTSA-N	307.335	0.761	50	40	DCGB	
COc1ccc(/C=N/NC(=O)c2nonc2N)cc1[N+](=O)[O-]	408732977	UUZDWQHVHGONHQ-WLRTZDKTSA-N	306.238	0.333	50	40	DCGB	
CCN(CC(=O)NN)S(=O)(=O)c1ccc2ccccc2c1	39986795	KHCBKPLZSFLGQM-UHFFFAOYSA-N	307.375	0.840	50	40	DCGB	
O=C(NNC(=O)C1CC1)c1ccc2c(=O)[nH]c(S)nc2c1	47054524	RWWDZKQUMXVACR-UHFFFAOYSA-N	304.331	0.383	50	40	DCGB	
NNC(=O)CCC(=O)N/N=C/c1ccc(Br)o1	27986462	ZTDFCNHXXKEEAS-LFYBBSHMSA-N	303.116	0.262	50	40	DCGB	
CCNC(=S)NNC(=O)CC(=O)Nc1ccccc1OC	4739061	MDDGFXLOCZZIBI-UHFFFAOYSA-N	310.379	0.539	50	40	DCGB	
Cc1cc2c(c(=O)n1CCO)[C@@H](c1cccnc1)C(C#N)=C(N)O2	4304079	YIPGVNTXTFBBKC-AWEZNQCLSA-N	324.340	0.762	50	40	DCGB	
COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)CCl	3882563	WMSZAZJMNQNIFY-UTLUCORTSA-N	302.758	0.427	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)c2cnccn2)nc2ccccc21	5269597	YQIDTUSJUGVKST-UHFFFAOYSA-N	310.317	0.367	50	40	DCGB	
OCc1ccc(P(c2ccc(CO)o2)c2ccc(CO)o2)o1	95486409	HBAUVDSVADSRFX-UHFFFAOYSA-N	322.253	0.701	50	40	DCGB	
COc1cc(/C=N/NC(=O)c2cnccn2)cc(OC)c1O	1476832	DFTDIHQZOLPGKB-REZTVBANSA-N	302.290	0.963	50	40	DCGB	
O=S1(=O)CC[C@@H](NC(=S)OC[C@@H](Cl)CCl)C1	59568586	LYFCOUTYNAFKFH-NKWVEPMBSA-N	306.236	0.911	50	40	DCGB	
O=C(CCN1CCOCC1)N/N=C/c1ccc2c(c1)OCCO2	25315676	OKAMWCQWGWEUNA-SFQUDFHCSA-N	319.361	0.630	50	40	DCGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nonc2C)c1O	2080838	MUPFMJIWQFCLCL-WLRTZDKTSA-N	321.249	0.764	50	40	DCGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(=O)[nH]c2)c1	16039570	FCCOGKBPPSGVFP-UHFFFAOYSA-N	315.329	0.832	50	40	DCGB	
COC(=O)CC/C(=N/NC(=O)c1ccccc1O)C(=O)OC	16189741	IBKHQGGPTZOYGV-GDNBJRDFSA-N	308.290	0.604	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1	3151590	OIQGZWBQLJOIID-VOAKCMCISA-N	300.314	0.971	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc2c(c1)C(=O)NC2=O	100959089	AAVQHCKWIHAGQL-SDQBBNPISA-N	322.280	0.362	50	40	DCGB	
COC(=O)/C=C1/S/C(=N/NC(=O)c2ccccn2)NC1=O	5274540	UDIPQWQZZDTGLR-SOFGYWHQSA-N	306.303	0.002	50	40	DCGB	
CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	100151544	FMHLBZXWJWFCBM-NGPAHMQLSA-N	303.278	0.557	50	40	DCGB	
COc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1	260881	KRCQQKCUYOOVOM-UHFFFAOYSA-N	301.302	0.930	50	40	DCGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc[nH]c1=O	12940957	QDYVBYMISVNYQH-UHFFFAOYSA-N	317.301	0.224	50	40	DCGB	
COc1ccc(-c2nc(N)cc(SCC(=O)NN)n2)cc1	223463627	QWJSXRIRTWSTHA-UHFFFAOYSA-N	305.363	0.816	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1	8103374	FTHBPWLPRJCFDJ-LZYBPNLTSA-N	313.741	0.648	50	40	DCGB	
O=C(CN1C(=O)CSc2ccccc21)NNC(=O)C1CC1	26968944	UVNJKGVLJYHKSW-UHFFFAOYSA-N	305.359	0.683	50	40	DCGB	
Cc1cc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)no1	575424460	LHBOYXQQEJLECD-RQJHMYQMSA-N	309.800	0.674	50	40	DCGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@H]3N4S(=O)(=O)c3ccccc3)[C@@H]12	104073650	BCNVYFZUCFQHMB-PTEOKISQSA-N	319.338	0.394	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	104779524	DKVPRXRSPYLYPC-OHZSCMDDSA-N	323.374	0.309	50	40	DCGB	
COC(=O)/C=C1\SC(NNC(=O)c2ccc(C)cc2)=NC1=O	508102	VIGTUKVYBPTTML-YFHOEESVSA-N	319.342	0.916	50	40	DCGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NCCCOC	7812013	LVCLTEVRLKTKKA-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
CNC(=S)NNC(=O)C[C@H]1Sc2ccccc2NC1=O	169343	NEOOZFANSSFTNX-SECBINFHSA-N	310.404	0.615	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2N(C)C(=O)N(C)C(=O)[C@]21C	103208502	LOZLNFDEXXCMFV-DUFXMDAXSA-N	307.306	0.460	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)c1ccc(C)s1	104648354	WUZGSGPIDWUNBW-KTKRTIGZSA-N	321.358	0.655	50	40	DCGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCC1	5582695	QMDIFVLTIVLBDW-LZYBPNLTSA-N	303.318	0.924	50	40	DCGB	
COC(=S)NP(=O)(NC(=S)OC)NC(=S)OC	104110301	VHWFLLRNJQPNAM-UHFFFAOYSA-N	317.354	0.657	50	40	DCGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2C=NNC2=O)c(O)c1	100948907	INIBADBXVWMAKN-GGNJANJASA-N	317.349	0.420	50	40	DCGB	
CNC(=S)NNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1	13956785	UKSSADDXCRDZFZ-UHFFFAOYSA-N	318.761	0.933	50	40	DCGB	
COc1cc(C[C@H]2CC(C(=O)NN)=NO2)c(OC)c2c1OCO2	12418099	JISUJZMIVDHZFI-QMMMGPOBSA-N	323.305	0.110	50	40	DCGB	
CN1CCN(CCSSCCN2CCN(C)CC2)CC1	19366760	GEUHTTDNHITJEJ-UHFFFAOYSA-N	318.556	0.863	50	40	DCGB	
O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)C1CCCCC1	4392994	ORHWGEAGKLLFMR-SNVBAGLBSA-N	302.396	0.539	50	40	DCGB	
Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C)c1	7725978	DNMOUVZKHSKXLS-UHFFFAOYSA-N	313.379	0.138	50	40	DCGB	
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NN	409390239	KGBMQJXGYNWVKQ-UHFFFAOYSA-N	301.368	0.050	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1C	16692241	NGYLMEBTVBMSET-UHFFFAOYSA-N	301.368	0.004	50	40	DCGB	
N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1	4942678	OLLCDXXPFRINIH-VIFPVBQESA-N	315.720	0.968	50	40	DCGB	
Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)/C=C/C(=O)O)c1	6825774	GWCFUSDXHKYQTH-ZWNMCFTASA-N	306.318	0.859	50	40	DCGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN2CCOCC2)c1	27527991	FPRIWTZNWSMJBI-LDADJPATSA-N	318.377	0.817	50	40	DCGB	
O=C(CN1C(=O)CSC1=S)NNC(=O)c1ccccc1	15056994	LDHPIYNYKYYAKH-UHFFFAOYSA-N	309.372	0.308	50	40	DCGB	
Cc1ccc(Cn2c(N)c(C(=O)CCl)c(=O)[nH]c2=O)cc1	72415061	AJIKMFBLBWFWQW-UHFFFAOYSA-N	307.737	0.897	50	40	DCGB	
Cn1cc(CCC(C#N)(C#N)O[Si](C)(C)C)c(=O)n(C)c1=O	195752366	RHQAOWGELZLRJG-UHFFFAOYSA-N	320.425	0.654	50	40	DCGB	
N#CC1=C[C@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	100211187	QTJPZSFFVNEZHH-VXGBXAGGSA-N	310.266	0.051	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(O)c(OC)c1	59459650	ZENXRVVXRBQUHF-LICLKQGHSA-N	323.349	0.394	50	40	DCGB	
CCOC(=O)C[C@@](O)(C(=O)OCC)[C@H](CC)C(=O)OC(C)=O	100044575	IGBODGYRGPXUKE-YGRLFVJLSA-N	318.322	0.350	50	40	DCGB	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)C(Cl)(Cl)Cl	4829696	IRCRGVHTYRYWMH-IUYQGCFVSA-N	315.005	0.877	50	40	DCGB	
C=CCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2)C1=O	34236249	UEJZKRIXEKTXLN-LUAWRHEFSA-N	314.301	0.910	50	40	DCGB	
Cc1ccn(CC(=O)NNC(=S)NCc2ccccc2)n1	2765086	IMZAVFFZNXMBCG-UHFFFAOYSA-N	303.391	0.887	50	40	DCGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c1	4700041	BFMSZQOPAXYCBD-UHFFFAOYSA-N	319.361	0.452	50	40	DCGB	
CCCC[C@@]1(C)[C@H]2SCC(=O)N2CCN1CC(=O)NN	35930569	OCYKPJDKVMCEIM-OLZOCXBDSA-N	300.428	0.142	50	40	DCGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CN1CCOCC1	408719314	BOWJRKOMKGHDQD-QGOAFFKASA-N	318.377	0.840	50	40	DCGB	
N#CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1	19798683	CHNONHAFTRGMIG-GZTJUZNOSA-N	302.334	0.371	50	40	DCGB	
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)CCl)cc1	22056068	ZGCDULJZLGMYDR-ZYHUDNBSSA-N	323.773	0.817	50	40	DCGB	in-vitro
O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccncc1	13021798	DABZIGLGJJSCRE-UHFFFAOYSA-N	308.297	0.998	50	40	DCGB	
OC[C@@H]1O[C@@H](SSc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O	77319470	BRZSUUGAVYFRNR-KNZXXDILSA-N	304.389	0.227	50	40	DCGB	in-vitro
COCCNC(=O)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	3062036	WKAZYRPJDFOUHS-OQLLNIDSSA-N	308.294	0.198	50	40	DCGB	
O=C(O)COCCOCCOCCOCCOCCCl	1857780945	LPONJPWPKVEITB-UHFFFAOYSA-N	314.762	0.393	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)cc1O	100297362	SCQQQXGILYLHBK-FNQVVVRFSA-N	318.333	0.753	50	40	DCGB	
C[C@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)S(C)(=O)=O	48069391	DQFSMQMVZAWBMU-SSDOTTSWSA-N	316.404	0.431	50	40	DCGB	
O=C(CCl)N(c1ccccc1CO)[C@H]1CCS(=O)(=O)C1	217382321	UPLAUBCBSYFQDB-NSHDSACASA-N	317.794	0.938	50	40	DCGB	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(c2ncccn2)C1	29884309	NUTBNBWEGIWRKF-GFCCVEGCSA-N	305.382	0.887	50	40	DCGB	
Cc1ccn(CC(=O)NNC(=S)Nc2cn(C)nc2C)n1	2788042	JWMATDRVGDYAEV-UHFFFAOYSA-N	307.383	0.251	50	40	DCGB	
CCNC(=S)NNC(=O)CC(=O)Nc1cccc(OC)c1	4723711	RRICLDJLUMLYQE-UHFFFAOYSA-N	310.379	0.539	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccncc1	254825797	PNYQQNXBCVBDAN-NNYUYHANSA-N	301.302	0.366	50	40	DCGB	
O=C(NNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1	422722	NQVXICJRAZKEDF-UHFFFAOYSA-N	308.301	0.737	50	40	DCGB	
CN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S	6856046	VFKOKXRUZXHGAR-VQHVLOKHSA-N	304.331	0.518	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC	5511568	BGTHMUJJDQTVRR-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
NNC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12	119691	FMAPRMDTIAZYPQ-UHFFFAOYSA-N	301.331	0.633	50	40	DCGB	
NCCCCCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	575423146	YLTIVLACKCDWDD-UWVGGRQHSA-N	311.835	0.209	50	40	DCGB	
CC(C)=CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	11583110	AQHPVQYMXOBRDM-UHFFFAOYSA-N	321.289	0.865	50	40	DCGB	
CCN(CC)C(=O)/C(C#N)=C/C1=CC(=O)C(=O)C([N+](=O)[O-])=C1	5649618	QWBPWKVKIKFNAX-BJMVGYQFSA-N	303.274	0.544	50	40	DCGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc[nH]c1=O	12979522	HRGIRAAQNJNCST-SECBINFHSA-N	319.292	0.743	50	40	DCGB	
O=C(CCl)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	20508243	AGSYYKJYSQWIFH-UHFFFAOYSA-N	321.742	0.228	50	40	DCGB	
S=C1NC[C@H](CI)[N+]12CCOCC2	321329	NKIPNKAKVXZRQI-ZETCQYMHSA-O	313.184	0.525	50	40	DCGB	
CC(=O)NNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2	28779457	IGUKKOWRNFBOSX-UHFFFAOYSA-N	322.409	0.812	50	40	DCGB	
COc1cc(C(=O)NNC(=O)CCl)cc(OC)c1OC	3252693	GBAXQUPPFMKJOV-UHFFFAOYSA-N	302.714	0.712	50	40	DCGB	
O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccncc1	6941549	KSHHKPNOFUHLMB-UHFFFAOYSA-N	309.289	0.132	50	40	DCGB	
O=C(CN1CCOCC1)N/N=C/c1cccc2c1OCCO2	19881197	QVLZFCAXVQEAIX-MHWRWJLKSA-N	305.334	0.240	50	40	DCGB	
CCNC(=O)N(C)NS(=O)(=O)c1cnc(Cl)c(C)c1	95945081	NGVRLEFGHMNUAV-UHFFFAOYSA-N	306.775	0.898	50	40	DCGB	
O=C(CCn1cccn1)NNC(=O)c1ccc2c(c1)OCO2	44916822	FAHGSIWHWRUFSK-UHFFFAOYSA-N	302.290	0.463	50	40	DCGB	
CCOC(=O)N/N=C/C1=NN(C(=O)OCC)[S@@](=O)[C@@H]1C	5845047	PPPFFCDWJZPICM-CZQVXYCGSA-N	304.328	0.599	50	40	DCGB	
O=C(O)CCC(=O)NNC(=O)CSc1nc2ccccc2o1	1956291	HUFQZGOQAFEDHY-UHFFFAOYSA-N	323.330	0.932	50	40	DCGB	
O=C(CN1CCOCC1)N/N=C/c1cc([N+](=O)[O-])ccc1O	20248743	YGGPLQCRFGGGOH-RIYZIHGNSA-N	308.294	0.083	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CCCC2)c1O	5361678	NTTBKPGWMSQXBI-CXUHLZMHSA-N	305.334	0.910	50	40	DCGB	
NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2N1	57467228	BTENYQSCQYYTMW-ZEQKQHQNSA-N	300.362	0.964	50	40	DCGB	
O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(O)cc1O	251946	WYAYUHVZEBSFOK-LZYBPNLTSA-N	311.301	0.993	50	40	DCGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1	196914	PVCQSHSHPWKTRS-LZYBPNLTSA-N	316.317	0.534	50	40	DCGB	
COc1ccc(C=NNC(=O)COc2ccc(=O)n(C)n2)cc1	26504353	YUGRXRWWEWFKLF-UHFFFAOYSA-N	316.317	0.318	50	40	DCGB	
CCOC(=O)NN(C(=O)OCC)/C(C(=O)OCC)=C(\C)N	104190047	CJCIKNJNLZCPOI-CMDGGOBGSA-N	303.315	0.859	50	40	DCGB	
COC(=O)c1sccc1S(=O)(=O)NNC(=O)C(C)C	9112857	FOWDXQUGBGBSFG-UHFFFAOYSA-N	306.365	0.500	50	40	DCGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=S)NC(C)C)c1C	12610851	DZSKVAOIDVBSDB-UHFFFAOYSA-N	312.395	0.935	50	40	DCGB	
NC(=O)COc1ccccc1C(=O)NNC(=O)c1ccco1	44889272	CVCGUZIZAZWRLF-UHFFFAOYSA-N	303.274	0.219	50	40	DCGB	
COC(=O)C[C@H]1SC(=O)N/C1=N/NC(=O)c1ccncc1	15057110	ZMNOUZPEIQWXCM-MRVPVSSYSA-N	308.319	0.513	50	40	DCGB	
O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)Nc1ccccc1	100396660	ZIRUDMKRNDFBDS-OVZMXSCWSA-N	314.297	0.831	50	40	DCGB	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccccc1)CS2	12863455	PKZTYOCHIZEWDT-ABAIWWIYSA-N	319.386	0.902	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc2c(c1)oc(=O)n2C	16694133	XPYVUIVYXPXVNM-XFFZJAGNSA-N	324.296	0.924	50	40	DCGB	
CCOc1cccc(/C=N/NC(=O)CC2=NNC(=O)C2)c1O	100248217	MNUOGFGJMFZNKT-OVCLIPMQSA-N	304.306	0.507	50	40	DCGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1O	408992305	RNNUGIOXAQMKDA-BOPFTXTBSA-N	303.362	0.903	50	40	DCGB	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](O)[C@H]12	257456159	JNRJLCSYIQFLDS-VVHWCZALSA-N	314.765	0.372	50	40	DCGB	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1	44976048	CGFMLKGBNQJBGI-QWRGUYRKSA-N	309.347	0.900	50	40	DCGB	
CC(C)C(=O)NCCNC(=O)NNC(=O)c1ccc(F)cc1	12984842	DNMSBVLEQULIFA-UHFFFAOYSA-N	310.329	0.542	50	40	DCGB	
CNC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CCl	111734	YDFXIOCWUSHOJO-UHFFFAOYSA-N	307.741	0.863	50	40	DCGB	
C=CCN1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21	101224993	XHKFRWZYLVAABP-HVBZNLCISA-N	308.812	0.508	50	40	DCGB	
O=C(NCCNC(=O)c1ccco1)NNC(=O)c1cccs1	29327588	CONDBKFBMSRDCW-UHFFFAOYSA-N	322.346	0.715	50	40	DCGB	
CN(C)C(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	4599635	XJAZCRFQXVPCJZ-UHFFFAOYSA-N	316.361	0.657	50	40	DCGB	
C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)c1ccco1	4678874	VKPFFGUDEZZENU-SFQUDFHCSA-N	322.365	0.224	50	40	DCGB	
CCCC[C@@]1(C)[C@@H]2SCC(=O)N2CCN1CC(=O)NN	35930574	OCYKPJDKVMCEIM-STQMWFEESA-N	300.428	0.142	50	40	DCGB	
Nc1nonc1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	33840804	IGAWAKPIKQHSDD-PQMHYQBVSA-N	310.657	0.977	50	40	DCGB	
COc1cc(Br)cc(B(O)O)c1Br	196179613	SCWHDNZSJXPODQ-UHFFFAOYSA-N	309.750	0.900	50	40	DCGB	
CCCCNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	3151093	LFOJXDAJEQKGHY-OVCLIPMQSA-N	308.294	0.667	50	40	DCGB	
COC(=O)c1ccc(N/N=C2/C(=O)NC(=O)C(C#N)=C2C)cc1	101124270	HERMFIVMZCOUHR-XDHOZWIPSA-N	312.285	0.738	50	40	DCGB	
COc1cccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1	1463441	WSHCPQWNPPJHSC-BWODNOAJSA-N	320.370	0.905	50	40	DCGB	
C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCO2	59437034	RRKVFDGHYUKZBS-SFQUDFHCSA-N	319.361	0.630	50	40	DCGB	
CS(=O)(=O)c1ncc(CCl)n1CCCN1CCOCC1	47219291	ZGVKHFCLWZEZQD-UHFFFAOYSA-N	321.830	0.748	50	40	DCGB	
C=CCNC(=S)NNC(=O)CCNC(=O)c1ccsc1	60781446	MMDSPQTVXOQJKZ-UHFFFAOYSA-N	312.420	0.549	50	40	DCGB	
O=C(O)/C=C\C(=O)NNC(=O)c1cccc(Br)c1	100834491	MLQRBLYQVYZPER-PLNGDYQASA-N	313.107	0.851	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O	105829597	MIUKXZLLWSPBIJ-NTMALXAHSA-N	304.306	0.045	50	40	DCGB	
Cn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O	12950619	DPKZODXSZQJJCF-UHFFFAOYSA-N	323.312	0.403	50	40	DCGB	
NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)ccc1Cl	6985073	KVSIETFOSUWYJI-UHFFFAOYSA-N	317.754	0.158	50	40	DCGB	
O=C(NC[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@@H]12)c1ccccc1	100396554	OCVHZCGHZYMSDT-DSZLRUIBSA-N	301.298	0.664	50	40	DCGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1cccc(C(=O)O)c1	101118782	SCXGYDKQOUCUPA-LDADJPATSA-N	312.285	0.991	50	40	DCGB	
COc1ccccc1/C=N/NC(=O)C(=O)NCc1cccnc1	37868836	VEMNEPDYRYGCPJ-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
O=C(CBr)NCCNC(=O)CBr	100258638	NBKHGWFWYFICNP-UHFFFAOYSA-N	301.966	0.009	50	40	DCGB	
C[C@H]1N=c2ccccc2=C1/C=N/NC(=O)c1n[nH]c2c1CCCC2	18205506	BDQXJJKLJUVBFX-VURRPDKYSA-N	321.384	0.877	50	40	DCGB	
O=C1C[C@@H](C(=O)O)SC(NNC(=O)CCc2ccccc2)=N1	538329	ZASFTGLKHYCHGN-JTQLQIEISA-N	321.358	0.713	50	40	DCGB	
O=C(CN1CCCc2ccccc21)NNC(=O)[C@H]1CCCO1	7987781	MNEWFOYCKSQCEF-CQSZACIVSA-N	303.362	0.766	50	40	DCGB	
COC(=O)C1=C(C(=O)OC)[C@](OO)(c2ccccc2)OC1=O	73331455	BQAOTJGYUSQOPU-CQSZACIVSA-N	308.242	0.528	50	40	DCGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C/C(=O)O)cc1C	2789111	BPRFHMNEAPIQQT-XUIVZRPNSA-N	306.318	0.859	50	40	DCGB	
CCN1CCN(C(=O)/C(C#N)=C2/N=C(N)c3ccccc32)CC1	3394777	XTRCQUADBZJCAS-CCEZHUSRSA-N	309.373	0.804	50	40	DCGB	
CCOC(=O)CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	5869083	IHLAUXQZSYOGDT-UHFFFAOYSA-N	309.278	0.699	50	40	DCGB	
C=CCN1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21	101225003	XHKFRWZYLVAABP-YEYJRPIDSA-N	308.812	0.508	50	40	DCGB	
O=C(NC[C@H]1CCS(=O)(=O)C1)OC(CCl)CCl	59568381	AABBQGRRENOIOQ-SSDOTTSWSA-N	304.195	0.994	50	40	DCGB	
CCn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2c(C)nn(C)c2F)n1	252496738	PQNVRCARTFBTSH-LHHJGKSTSA-N	323.288	0.756	50	40	DCGB	
NNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O	5603721	OMDWZXQZVMWZFM-UHFFFAOYSA-N	308.341	0.977	50	40	DCGB	
CCN(CCCl)/N=N/c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1	16990220	KCASYGRDTNUPJX-FOCLMDBBSA-N	313.749	0.520	50	40	DCGB	
COc1cc(C)c(S(=O)(=O)NNC(=O)C(C)C)cc1OC	26532696	TTZHNJJGCZOIEY-UHFFFAOYSA-N	316.379	0.978	50	40	DCGB	
NC(=O)C(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F	3318868	LHZOGUAWBZUPGE-HAVNEIBRSA-N	323.202	0.825	50	40	DCGB	
O=C(/C=C1/SC(=O)NC1=O)NNC(=O)c1ccccc1O	17017075	ZXAIMBDZCMVROU-VMPITWQZSA-N	307.287	0.020	50	40	DCGB	
CCOC(=O)NC(=O)/C(C#N)=C\N[C@@H](C(=O)NC)C(C)(C)C	100219501	VDFOTILIJNQMGO-QROTZFDESA-N	310.354	0.417	50	40	DCGB	
COC(=O)C1(C(=O)OC)C[C@H]2CC=C(C#N)O[C@@H]2N1C(C)=O	4267945	RMVZXFBXTYKDPS-KOLCDFICSA-N	308.290	0.093	50	40	DCGB	biogenic
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1c[nH]c2ccccc12	3083588	KGHKMDAVPTZSFY-BFNDQCEFSA-N	314.345	0.913	50	40	DCGB	
Cc1ccc(OCC(=O)NNc2nnc(C)c(=O)[nH]2)c(C)c1	11547946	RPMGUIJWMZAFKN-UHFFFAOYSA-N	303.322	0.612	50	40	DCGB	
CC(=O)NNc1nnc(-c2ccccc2NC(C)=O)c(O)n1	4920554	FVKQKZLNRCMHEM-UHFFFAOYSA-N	302.294	0.666	50	40	DCGB	
CN1CCC(=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	58885930	WPOBFEVALGOECF-UHFFFAOYSA-N	319.321	0.731	50	40	DCGB	
C/C(N)=C(/C#N)C(=O)COC(=O)CNC(=O)c1ccc(C)cc1	21762825	TXBHINDVUGCZSU-ACCUITESSA-N	315.329	0.593	50	40	DCGB	
CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc(C)nn2C)C(=O)O1	101540266	GEWUVTLNJAHSNI-FMIVXFBMSA-N	304.306	0.267	50	40	DCGB	
COc1cc(/C=N\NC(=O)Cc2nnc(N)s2)ccc1O	36482192	DOUUVJFHVBHXBB-NSIKDUERSA-N	307.335	0.527	50	40	DCGB	
N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1c[nH]c2ccccc12	568064	DSPJYEITWQLKSB-NSHDSACASA-N	321.296	0.763	50	40	DCGB	
CN1CCC(=NNC(=O)CC(=O)NCc2ccccc2)CC1	59444854	MZJLNCRPXYYVQX-UHFFFAOYSA-N	302.378	0.891	50	40	DCGB	
CN(C)NC(=O)NC[C@@H]1C[C@@H](CNC(=O)NN(C)C)C1(C)C	5415513	MEUXTLLDBSNSJN-QWRGUYRKSA-N	314.434	0.200	50	40	DCGB	
O=C(COC(=O)c1ccccn1)NNC(=O)c1cccs1	11026887	ODMNFAQWFZYJBC-UHFFFAOYSA-N	305.315	0.761	50	40	DCGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(O)cc1	5494661	VKZBUNWKXHSKDL-RIYZIHGNSA-N	304.266	0.698	50	40	DCGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCC1	4600392	LHWBSWIRMVHTDB-UHFFFAOYSA-N	309.753	0.652	50	40	DCGB	
CC(C)C(=O)NNC(=O)Cn1cnc2ccc(F)cc2c1=O	44908727	KZMRICYVKDWPSK-UHFFFAOYSA-N	306.297	0.339	50	40	DCGB	
C=C(C)C(=O)OCCC[Si]12OCCN(CCO1)CCO2	196715640	WGRWJOHYBAKBPG-UHFFFAOYSA-N	301.415	0.814	50	40	DCGB	
CC(=O)NNC(=S)N/C=C(\C(C)=O)C(=O)Nc1ccccc1	104305447	IIOMVUZDDLXLQD-XYOKQWHBSA-N	320.374	0.613	50	40	DCGB	
Cc1[nH]nc(O)c1CCC(=O)N/N=C1/C(=O)Nc2ccccc21	181242	YCZSRTWPIDWVGW-UHFFFAOYSA-N	313.317	0.829	50	40	DCGB	
CN(C)S(=O)(=O)NCC(=O)NN=Cc1ccccc1Cl	15938243	ONWPMVSHUQNGFZ-UHFFFAOYSA-N	318.786	0.186	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccco1	409386191	LNAOANQDULCQCY-KBBCTFJKSA-N	306.274	0.085	50	40	DCGB	
CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1	408731945	RBYQSVLWIYDKRI-NTUHNPAUSA-N	323.334	1.392	50	40	DCGB	
O=C(O)[C@H]1[C@@H](Br)[C@@H](Br)[C@H]1C(=O)O	104097809	ZDVZNQUAYWNJPX-GNSDDBTRSA-N	301.918	0.929	50	40	DCGB	
CCOC(=O)/C(C#N)=C/NNc1ccc(S(C)(=O)=O)cc1	47454234	GBCJIPFXWGTDQP-MDZDMXLPSA-N	309.347	0.977	50	40	DCGB	
Cc1cc(C)n(CC(=O)NNC(=S)Nc2cn(C)nc2C)n1	2788236	NQILNOFXXKCRHV-UHFFFAOYSA-N	321.410	0.560	50	40	DCGB	
O=C(Cc1ccc(F)cc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	9576070	UVIITPYZAVBQTG-QWRGUYRKSA-N	305.758	0.889	50	40	DCGB	
CC(C)NC(=S)NNC(=O)c1cccc(S(C)(=O)=O)c1	21322200	FMHHSVLASCIRON-UHFFFAOYSA-N	315.420	0.607	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1ccc([N+](=O)[O-])n1	252494621	OAJLDKVLOXHVSW-VGOFMYFVSA-N	323.288	0.513	50	40	DCGB	
CC1(C)[C@]2(CBr)CC[C@@]1(C(N)=O)C(=O)OC2=O	103708045	SOIIWGPTVRVIRP-WDEREUQCSA-N	304.140	0.743	50	40	DCGB	
COc1ccccc1OCC(=O)OCC(=O)/C(C#N)=C(/C)N	103089105	GAQWIQHWUOYDPD-KHPPLWFESA-N	304.302	0.943	50	40	DCGB	
COc1cc(/C=N/NC(=O)CCN2CCOCC2)ccc1O	23509316	FCNKRAZOWHGVLA-LFIBNONCSA-N	307.350	0.573	50	40	DCGB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NN)cc1	408600600	BDBHGIPUXDGCGO-UHFFFAOYSA-N	301.368	0.086	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)s1	33345774	MFQXMBGRKAHVOD-MLPAPPSSSA-N	306.307	0.721	50	40	DCGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	5512421	MJBOQVRCUAUKSY-RQZCQDPDSA-N	321.333	0.465	50	40	DCGB	
O=C1NN=C[C@H]1C(=O)N/N=C/c1ccccc1Br	100948896	ZKJDTDFONOLDRV-XEPABTDDSA-N	309.123	0.631	50	40	DCGB	
Cc1cc(/C=N\NC(=O)c2c(Br)cnn2C)[nH]n1	32479610	YRFFMNHYJPMXRU-QCDXTXTGSA-N	311.143	0.978	50	40	DCGB	
CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C	22903261	JPQLZVBKRDSPJX-UHFFFAOYSA-N	313.335	0.097	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	59515807	ZQIYHJOZGVHZRU-OQLLNIDSSA-N	308.294	0.198	50	40	DCGB	
CC(C)C(=O)Nc1nc(CC(=O)NNC(=O)C2CC2)cs1	44278745	PLWOTQDAXBNEMU-UHFFFAOYSA-N	310.379	0.838	50	40	DCGB	
Cc1cc(C(=O)NNC(=O)C2CC2)ccc1N1CCNC1=O	53086039	UBWSHXSRKGYDSS-UHFFFAOYSA-N	302.334	0.696	50	40	DCGB	
COC(=O)C1(C(=O)OC)C[C@@H]2CC=C(C#N)O[C@H]2N1C(C)=O	4267943	RMVZXFBXTYKDPS-GXSJLCMTSA-N	308.290	0.093	50	40	DCGB	biogenic
O=C(COc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	9476651	UUFXWSSYXDDVPQ-GHMZBOCLSA-N	303.767	0.586	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2N(C)C(=O)N(C)C(=O)[C@@]21C	4265226	LOZLNFDEXXCMFV-WFBYXXMGSA-N	307.306	0.460	50	40	DCGB	biogenic
O=C(O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H](I)[C@@H]1C[C@H]23	100923332	NHGLFZIQXAGSGN-NYLBLOMBSA-N	308.071	0.682	50	40	DCGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CC(=O)NC2=S)cc1	104303830	GPLOHVHPULDLOP-XFFZJAGNSA-N	321.383	0.850	50	40	DCGB	
CCc1cc2c(=O)n(CC(=O)NNC(C)=O)c(C)nc2s1	20158272	YYFBFSAZOYAEEE-UHFFFAOYSA-N	308.363	0.496	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)c(OC)c1	5380497	JCPQBJFORQAYHU-RQZCQDPDSA-N	307.350	0.926	50	40	DCGB	
CCOc1cc(C(=O)NN)ccc1OCC(=O)N1CCCC1	226360671	NVGVLWJRCQQPLA-UHFFFAOYSA-N	307.350	0.690	50	40	DCGB	
O=C(CCl)NCc1cc(O)c(O)cc1CNC(=O)CCl	1439652	LNVVFESECCEEQE-UHFFFAOYSA-N	321.160	0.808	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(OC)cc1OC	3062065	JJNNKAQETIAINU-LICLKQGHSA-N	305.334	0.846	50	40	DCGB	
CCOC(=O)c1c(NNC(=O)c2ccc(OC)cc2)n[nH]c1N	6265593	DFZCRQNBKCEXFG-UHFFFAOYSA-N	319.321	0.934	50	40	DCGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1	318696	KZCSYPNQOSXZHX-UHFFFAOYSA-N	322.302	0.613	50	40	DCGB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1	409379308	WAGDRPHILRCVGS-JTQLQIEISA-N	313.379	0.086	50	40	DCGB	
COc1ccc(OCC(=O)N/N=C(/CCC(=O)O)C(=O)O)cc1	6046413	WYVKQQOLPGIALB-PTNGSMBKSA-N	324.289	0.496	50	40	DCGB	
C[N+](C)(C)CC(=O)N/N=C/c1ccccc1S(=O)(=O)O	1847188	OZNCELRTWMNCTK-MDWZMJQESA-O	300.360	0.090	50	40	DCGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccncc2)cc1	59459608	ABIPAMVCHYUDLZ-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
Nc1nonc1C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	33295357	NSYMHNWRFONSEN-PQMHYQBVSA-N	310.657	0.977	50	40	DCGB	
CCOC(=O)c1[nH]c(/C=N/NC(N)=O)c(C(=O)OCC)c1C	1653053	IMPLDXBVDDSILK-GIDUJCDVSA-N	310.310	0.679	50	40	DCGB	
COC(=O)Cc1n[nH]c2c1[C@@]1(CCO[C@@H]1C)C(C#N)=C(N)O2	4010276	OXUPYAQJVOZFJF-NXSYQRQQSA-N	304.306	0.258	50	40	DCGB	
Cc1c(C(=O)N/N=C/C2CCCCC2)nnn1-c1nonc1N	548180	PCGGGKRVPUUBTJ-VIZOYTHASA-N	318.341	0.837	50	40	DCGB	
Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@@]23CCC[C@@]12C3Br	104291029	YIZUZQSNJNNZPK-OCXSYQENSA-N	324.178	0.948	50	40	DCGB	
CN(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccs2)C1	39560641	FULNVFYGXNZOBM-JTQLQIEISA-N	324.406	0.903	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1-n1cnnn1	104447246	SRWYZXNKVMDLCU-LUAWRHEFSA-N	312.289	0.144	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CCN2CCOCC2)cc1OC	26781029	VNQKGTVJXUJXNY-SFQUDFHCSA-N	321.377	0.876	50	40	DCGB	
COc1ccc(NCC(=O)NNC(=O)c2cccnc2)cc1	57390193	DTNPFMSHVUNPKY-UHFFFAOYSA-N	300.318	0.963	50	40	DCGB	
COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccncc1	409185569	MQCPQNNACIACRA-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1[N+](=O)[O-]	408720201	VSLHYNSBNXGUPB-OQLLNIDSSA-N	322.321	0.386	50	40	DCGB	
COc1cc(-c2ncc(C(=O)NN)cn2)cc(OC)c1OC	223456996	TVAVWLIZHKJFOJ-UHFFFAOYSA-N	304.306	0.773	50	40	DCGB	
CN(C)c1ccc(/C=N/NC(=O)c2nonc2N)cc1[N+](=O)[O-]	4018462	INEJJUWTHLKUCX-MKMNVTDBSA-N	319.281	0.390	50	40	DCGB	
O=C(NCCCl)NCc1nnnn1-c1ccc(F)c(F)c1	9616383	XDCGGLBCQLKPMR-UHFFFAOYSA-N	316.699	0.979	50	40	DCGB	
Cn1c(=O)[nH]c2c(c1=O)[C@@H](c1cccc(F)c1)C(C#N)=C(N)N2	494902	DKGNJFXLPRZIJQ-JTQLQIEISA-N	313.292	0.464	50	40	DCGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	59488442	BHTBPEUUJCGJQO-VIZOYTHASA-N	308.294	0.523	50	40	DCGB	
N#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1	33643241	CHNONHAFTRGMIG-BOPFTXTBSA-N	302.334	0.371	50	40	DCGB	
Cc1c(C(=O)NN=C2CCCCC2)nnn1-c1nonc1N	4909825	IYHPFBYXVZBIRX-UHFFFAOYSA-N	304.314	0.591	50	40	DCGB	
C/C(=N\NC(N)=O)[C@@]1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-]	7813280	ARYJWMQJODUOCK-MGMWDDNKSA-N	309.326	0.823	50	40	DCGB	
COc1cccc(C(=O)NNC(=O)C(=O)N2CCCCC2)c1	4838848	ARGSKPSPEDHICR-UHFFFAOYSA-N	305.334	0.469	50	40	DCGB	
O=C(/C=C/c1ccc2c(c1)CCO2)NNC(=O)c1cnccn1	12843490	ABSMYLOMXDSDCC-DUXPYHPUSA-N	310.313	0.886	50	40	DCGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1	408732352	UXIJSYGMVOXDSO-VGOFMYFVSA-N	319.346	0.895	50	40	DCGB	
Nc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O	371764	GIWJOFDZKIUWJK-CQSZACIVSA-N	324.340	0.835	50	40	DCGB	
CCn1nc(C(=O)NNC(=O)C2CCC2)c2ccccc2c1=O	7723322	VOHYBDLWBWXJIB-UHFFFAOYSA-N	314.345	0.978	50	40	DCGB	
COc1cccc(/C=N/NC(=O)CC#N)c1O[C@@H](C)C(=O)O	409221444	QJKIRPAEOJXHEB-VKPPLCHCSA-N	305.290	0.911	50	40	DCGB	
NC(=O)N/N=C/C(Br)=C(\Br)C(=O)O	17284395	LAXIMGVCGOEVAN-UZZALQNOSA-N	314.921	0.727	50	40	DCGB	
O=C1C[C@H](C(=O)O)SC(NNC(=O)CCc2ccccc2)=N1	538331	ZASFTGLKHYCHGN-SNVBAGLBSA-N	321.358	0.713	50	40	DCGB	
CCOC(=O)C(=O)NCc1ccc(/C=C(/C#N)C(=O)NC)o1	408836509	RYCGMMKJHRGSTP-TWGQIWQCSA-N	305.290	0.112	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1O	2335344	JQISMEHDJHLMNK-CPWFCVNUSA-N	321.333	0.146	50	40	DCGB	
CN1C(=O)[C@]2(Cc3ccccc3)SS[C@@]1(CO)C(=O)N2C	2005211	SJRIMIDQFZMJPZ-KBPBESRZSA-N	324.427	0.939	50	40	DCGB	in-vitro
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cnccn1	8379817	FECYRQIUSUMDLE-UHFFFAOYSA-N	312.245	0.471	50	40	DCGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1ccc2c(c1)COC2=O	101101524	AYQRFSWGCDEJLI-CPNJWEJPSA-N	324.296	0.964	50	40	DCGB	
COc1ccc(/C(C)=N/NC(=O)Cn2cncn2)c(OC)c1	13552650	SSKOORFPIPANPG-LICLKQGHSA-N	303.322	0.836	50	40	DCGB	
NNC(=O)COCC(=O)Nc1cccc(Br)c1	4689703	UPLIHMOGSFRFML-UHFFFAOYSA-N	302.128	0.394	50	40	DCGB	
C/C(=N\NC(=O)C(N)=O)c1cccc(NC(=O)c2ccco2)c1	4614403	WUHBJASITVSIEQ-GIJQJNRQSA-N	314.301	0.857	50	40	DCGB	
NCCCCCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	575423148	YLTIVLACKCDWDD-VHSXEESVSA-N	311.835	0.209	50	40	DCGB	
CNNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1	2765062	IZAUFTPTQOQEET-SSDOTTSWSA-N	300.156	0.818	50	40	DCGB	
CCCCNC(=S)NNC(=O)c1cc(O)nc(SC)n1	8781318	NARNRKRWRLGPJZ-UHFFFAOYSA-N	315.424	0.813	50	40	DCGB	
CCOC(=O)[C@H]1[C@H](C(=O)OCC)C=C(C#N)O[C@@]1(C)NC(C)=O	245238755	ANFYUXVVSXAVBI-LALPHHSUSA-N	324.333	0.635	50	40	DCGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(=O)[nH]c1	16046437	WFJOTOPPFHTRKO-UHFFFAOYSA-N	301.258	0.178	50	40	DCGB	
CCCCn1c(N)c(N(CC)C(=O)CCl)c(=O)[nH]c1=O	8324079	PALCSBHSDBHSOQ-UHFFFAOYSA-N	302.762	0.511	50	40	DCGB	
O=C(NNC(=O)c1ccccn1)c1ccc(-n2cnnn2)cc1	6509436	RKXVRONZEMWKTF-UHFFFAOYSA-N	309.289	0.132	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	59515822	DNFKQLHYIGGDAB-AXLKIAQESA-N	320.305	0.340	50	40	DCGB	
O=C(N/N=c1/c(=O)c(=O)c2ccccc12)c1ccc([N+](=O)[O-])cc1	5738911	JTXKLELUKZGJAS-GHRIWEEISA-N	323.264	0.590	50	40	DCGB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)C(C)C	31555945	KMNQDOWYQHFXTL-UHFFFAOYSA-N	301.324	0.869	50	40	DCGB	
O=C(NNC1=NS(=O)(=O)c2ccccc21)c1cccc(O)c1	350917	WZSLEOWLBQTBHV-UHFFFAOYSA-N	317.326	0.776	50	40	DCGB	
O=C(O)/C=C/C(=O)NNC(=O)c1cc2ccccc2cc1O	3098080	NWBTVQKEBZUVHD-AATRIKPKSA-N	300.270	0.947	50	40	DCGB	
C=CCNC(=S)NNC(=O)CC(=O)Nc1ccccc1OC	4739059	KAPBWPKNJKYFNK-UHFFFAOYSA-N	322.390	0.705	50	40	DCGB	
O=S1(=O)CC[C@@H](NC(=S)OC(CCl)CCl)C1	59568376	QFOHXSDTZQKLQM-ZCFIWIBFSA-N	306.236	0.911	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1O	4348927	JEZDCPHWGIMNMF-PSJXJDHFSA-N	316.313	0.676	50	40	DCGB	
Cn1nccc1C(=O)NNC(=O)c1cc(Br)c[nH]1	44980758	HJFLMDUVBMJDOF-UHFFFAOYSA-N	312.127	0.586	50	40	DCGB	
O=S1(=O)C[C@H]2N=C3SC[C@@H](CBr)N3[C@H]2C1	27988186	NBYCMMSIMWPABP-QYNIQEEDSA-N	311.226	0.334	50	40	DCGB	
COc1ccc(/C=N/NC(=O)c2ccc(O)nn2)c(OC)c1	547231	BSZHNJUKLKHJCV-OVCLIPMQSA-N	302.290	0.963	50	40	DCGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1cnccn1	72332484	ZRLFKPJFJWIHBS-HKWRFOASSA-N	309.285	0.567	50	40	DCGB	
NNC(=O)CSc1cc(N)nc(COc2ccccc2)n1	223463798	BGYQFGFERFPLAG-UHFFFAOYSA-N	305.363	0.720	50	40	DCGB	
C=CCN1C(=O)NC(=O)/C(=C(/CC)NNC(=O)CCCC)C1=O	5069299	VLJONCLGFCCJRS-ZRDIBKRKSA-N	322.365	0.726	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(N(C)C)cc1	5334007	DQWTVPMOFPWTQY-LDADJPATSA-N	320.393	0.746	50	40	DCGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1csnn1	1775968825	MKBPLXKHQUWHHX-LGMDPLHJSA-N	315.314	0.629	50	40	DCGB	
NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O	3345167	WFXWOOGHZRRSAU-UHFFFAOYSA-N	321.358	0.474	50	40	DCGB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1	408527869	FVDYBFDTXNGWFM-UHFFFAOYSA-N	321.786	0.397	50	40	DCGB	
COc1cccc(/C=N/NC(=O)CC#N)c1O[C@H](C)C(=O)O	409221443	QJKIRPAEOJXHEB-PTPOTIKZSA-N	305.290	0.911	50	40	DCGB	
C=CCNC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br	4694700	DQAFLSOTUMKUOY-WBBBMGQGSA-N	300.152	0.860	50	40	DCGB	
CCNC(=S)NNC(=O)c1cc(C)nc2c1c(C)nn2C	17031360	BATUSGYZWOHXNC-UHFFFAOYSA-N	306.395	0.714	50	40	DCGB	
CCCCCCCn1c(NNC=O)nc2c1c(=O)[nH]c(=O)n2C	97944129	HZFWBBIQQFDBDI-UHFFFAOYSA-N	322.369	0.467	50	40	DCGB	
COCCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1	5006485	PCLLQVIUHMRPBF-ZRDIBKRKSA-N	305.334	0.786	50	40	DCGB	
N#C/C(=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1)C(N)=O	108618	AKLODUFKONQHFZ-NTMALXAHSA-N	316.342	0.517	50	40	DCGB	
COC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2	7405547	AOBDREQEYJQWLP-UHFFFAOYSA-N	302.308	0.397	50	40	DCGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1CC1	9889585	FSBRSSKXJFPXMJ-UHFFFAOYSA-N	305.378	0.629	50	40	DCGB	
CCCN1C(=O)/C(=N\NC(=O)CCC(=O)NN)c2ccccc21	27986328	FPBXCQPGKIRTRD-RGEXLXHISA-N	317.349	0.034	50	40	DCGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3nc(O)[nH]c(=O)c32)c1	134230	IKFYYPMXHVCZBA-JTQLQIEISA-N	312.285	0.702	50	40	DCGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1	19797816	WITQBNXBMPZYGS-MHWRWJLKSA-N	305.334	0.394	50	40	DCGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	16732630	QYNVOKMHQSODGH-YTRUQHMWSA-N	306.343	0.602	50	40	DCGB	
O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccco1	4079690	DKBWQHKXQFZEAM-RQZCQDPDSA-N	301.302	0.925	50	40	DCGB	
N#CCOc1ccccc1/C=N\NC(=O)CN1CCOCC1	16449099	YVSCHHXFFZCTCN-BOPFTXTBSA-N	302.334	0.371	50	40	DCGB	
O=C(CCl)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1	256030587	PQCCPCTWFWWOJL-LLVKDONJSA-N	302.783	0.836	50	40	DCGB	
N/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)c1ccccn1	72242842	RMYYJYIBYZNEGJ-UHFFFAOYSA-N	323.312	0.380	50	40	DCGB	
O=C(OCCOCCCl)C(=O)OCCOCCCl	5368927	WUUHVNSZYUXBRM-UHFFFAOYSA-N	303.138	0.584	50	40	DCGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	408791929	FKCONMRXKZRMJI-UKTHLTGXSA-N	318.329	0.908	50	40	DCGB	
CC(=O)N/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	408754392	QNOHZWHNFZWPIW-URXIRXLPSA-N	318.358	0.481	50	40	DCGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc[n+]([O-])c2)cc1C	8707033	SFJZHVWJLNBDDT-UHFFFAOYSA-N	315.329	0.777	50	40	DCGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O	553603	QBPQJFYNJNEBNP-CAOOACKPSA-N	302.290	0.231	50	40	DCGB	
O=C(CCl)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	4200445	UIOJKPXZYNONIT-ZDUSSCGKSA-N	324.764	0.736	50	40	DCGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(N)=O)cc1OC	6627801	NRJYTYQWWGDZRE-PJQLUOCWSA-N	315.713	0.903	50	40	DCGB	
O=C(NC[C@@H]1CCS(=O)(=O)C1)OC[C@H](Cl)CCl	59568602	MMKDGSHIPHMZSK-JGVFFNPUSA-N	304.195	0.994	50	40	DCGB	
Cc1cc(C)nc(NNC(=O)CCNC(=O)c2ccco2)n1	22233579	YOJZKXWCEOBVJN-UHFFFAOYSA-N	303.322	0.950	50	40	DCGB	
COC(=O)NNC(=O)NCCC(=O)N1CCCc2ccccc21	47153707	UAROUOLAPYZRGU-UHFFFAOYSA-N	320.349	0.926	50	40	DCGB	
CCNC(=S)NNC(=O)c1[nH]c(C)c(C(=O)OCC)c1C	7779828	RFXPAPHZNHEOKK-UHFFFAOYSA-N	312.395	0.937	50	40	DCGB	
CCc1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1	575422003	KHAZCHUUWJMYFA-NTSWFWBYSA-N	324.815	0.626	50	40	DCGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cnccn1	12818587	USPINENRSQCSLL-UHFFFAOYSA-N	312.738	0.753	50	40	DCGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-n2cnnn2)cc1	6786626	BMEIIQCJDAYCBU-LZYBPNLTSA-N	324.300	0.837	50	40	DCGB	
C/C(CC(=O)Nc1cccnc1)=N\NC(=O)C(=O)NC(C)C	4599507	GMLRJXRMASQFFQ-VCHYOVAHSA-N	305.338	0.427	50	40	DCGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccnc1	260936	REYFTHQVKXSBGW-UHFFFAOYSA-N	316.273	0.830	50	40	DCGB	
Cn1c(=O)c(C(=O)CCl)c(N)n(Cc2ccccc2)c1=O	3276919	PWRYAZROQMECNK-UHFFFAOYSA-N	307.737	0.599	50	40	DCGB	
COC(=O)N/N=C\c1cc(/C=N/NC(=O)OC)c(O)c(OC)c1	35191173	CLVUDFIZVDYGRZ-GEMWTQJRSA-N	324.293	0.781	50	40	DCGB	
COc1cc(/C=N/NC(=O)c2nonc2N)cc(OC)c1OC	64328	WKQIQPPTGXQUKF-GIDUJCDVSA-N	321.293	0.442	50	40	DCGB	
CNC(=O)/C(C#N)=C1/S[C@@H](CCO)C(=O)N1c1ccccc1	13689100	IEMMAGJWWXAPBZ-YGRGUWMTSA-N	317.370	0.999	50	40	DCGB	
O=C1NN=C[C@@H]1C(=O)N/N=C/c1cccc(Br)c1	100948875	MGONRWISFVTKET-ACJFOYDFSA-N	309.123	0.631	50	40	DCGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccncc1	100973525	DKWCXMNTWFEMOD-ZDUSSCGKSA-N	310.313	0.648	50	40	DCGB	
CN(C)NC(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1	408977280	WORVXUVKILPVTH-UHFFFAOYSA-N	311.301	0.484	50	40	DCGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NC(=O)CCl)c1	8329198	GNTHOMUHFWURQL-UHFFFAOYSA-N	304.755	0.432	50	40	DCGB	
COc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	9547771	LGISNFNHHPEIGL-GHMZBOCLSA-N	317.794	0.758	50	40	DCGB	
CCn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O	8704301	NSUQSGXUIURFLQ-UHFFFAOYSA-N	309.757	0.717	50	40	DCGB	
NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	6328488	FXQXFMYVCHNQIE-QLKAYGNNSA-N	314.095	0.113	50	40	DCGB	
O=C(NNC(=S)NCc1ccc(F)cc1)c1cnccn1	30814522	HZFWJJLQMYMSHU-UHFFFAOYSA-N	305.338	0.925	50	40	DCGB	
COCCNC(=S)NNC(=O)CNc1ccc(C)c(C)c1	408588782	YPRBHRKSBNNCEJ-UHFFFAOYSA-N	310.423	0.857	50	40	DCGB	
O=C(O)/C=C/C(=O)NNC(=O)c1ccc(Br)cc1	2270883	WELBPTHNDSDSCK-AATRIKPKSA-N	313.107	0.851	50	40	DCGB	
Cc1c(/C=N\NC(=O)NN)c(O)n2c(nc3ccccc32)c1C#N	19418448	DULXDBVWMQVRKF-WSVATBPTSA-N	323.316	0.880	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2	5511589	LTDFWRZZSXCUJS-LZYBPNLTSA-N	307.306	0.018	50	40	DCGB	
O=C(CNC(=O)c1ccco1)N/N=C1/C(=O)Nc2ccccc21	4567856	LKDSROIIZQQDLM-UHFFFAOYSA-N	312.285	0.482	50	40	DCGB	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc[nH]c1=O	12559245	UOHBVXYVUNQFHQ-UHFFFAOYSA-N	311.301	0.186	50	40	DCGB	
Cc1cc(C)n2nc(CC(=O)NNC(=O)c3ccco3)nc2n1	5451364	UNKIGVANAWGFMI-UHFFFAOYSA-N	314.305	0.338	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)[C@@H]2CCCO2)nc2ccccc21	9219921	IGRQEKTZKJWXGZ-LBPRGKRZSA-N	302.334	0.442	50	40	DCGB	
COc1ccc(/C=N/NC(=O)c2no[n+]([O-])c2C)cc1[N+](=O)[O-]	3149727	UWHCVEGNLMOCIO-AWNIVKPZSA-N	321.249	0.297	50	40	DCGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1	5675905	BKUKMXLTAYEQDJ-UHFFFAOYSA-N	307.331	0.714	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(OC)cc1OC	3061993	QCGDWSAEBZWHLN-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc[nH]c1=O	12863077	WMENGRXDMXTNEG-UHFFFAOYSA-N	310.313	0.860	50	40	DCGB	
CCOC(=O)C1=C(NC)OC/C1=N\NC(=O)c1ccccc1O	17198028	AEOCSCCUYYINLU-LICLKQGHSA-N	319.317	0.502	50	40	DCGB	
COC(=O)/C=C1/SC(NNC(=O)c2ccccc2)=NC1=O	508214	LUVSSBPIBSWFHX-VQHVLOKHSA-N	305.315	0.607	50	40	DCGB	
O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1	10127591	LUEMUPXLZXXMCT-UHFFFAOYSA-N	321.314	0.403	50	40	DCGB	
O=C(NNC(=O)c1ccccc1)C(=O)[C@H]1C(=O)Nc2ccccc21	102139444	CPTPSDIKEYRMMG-ZDUSSCGKSA-N	323.308	0.753	50	40	DCGB	
CC1(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)OCCO1	28214480	LAKWESGBPBHSOU-RQZCQDPDSA-N	321.333	0.154	50	40	DCGB	
N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1c[nH]c2ccccc12	568065	DSPJYEITWQLKSB-LLVKDONJSA-N	321.296	0.763	50	40	DCGB	
CC(=O)NCCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	47221312	YXASYTRTUHYOFC-UHFFFAOYSA-N	321.377	0.746	50	40	DCGB	
N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1	367482	QQBVQRZRZQFWGL-QBFSEMIESA-N	317.345	0.882	50	40	DCGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc[nH]c2=O)cc1C	12940964	IVGMGXCFXFLHTL-UHFFFAOYSA-N	315.329	0.832	50	40	DCGB	
COc1cccc(CNC(=O)NNc2nc(C)cc(=O)[nH]2)c1	40554316	OLCAUCFJFHWUAX-UHFFFAOYSA-N	303.322	0.913	50	40	DCGB	
O=C(COC(=O)c1cnccn1)NNC(=O)c1ccccc1	5469332	SZNLASPXRHBAFA-UHFFFAOYSA-N	300.274	0.095	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(O)nn2)c1	237830	NNXXJUKCUXSZRL-OVCLIPMQSA-N	302.290	0.963	50	40	DCGB	
N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@H]1c1ccc(F)cc1	43650	VXZUZKONSFMPSZ-VIFPVBQESA-N	300.249	0.833	50	40	DCGB	biogenic
COc1ccc(C(=O)NNC(=O)c2cnccn2)cc1[N+](=O)[O-]	199768	UKXHVZXUEMSSKH-UHFFFAOYSA-N	317.261	0.468	50	40	DCGB	
COCCNC(=O)C(=O)N/N=C\c1c(F)cccc1Cl	83291049	OVNZVNMEEJJOMQ-APSNUPSMSA-N	301.705	0.692	50	40	DCGB	
O=C(Cn1ncn2nccc2c1=O)N/N=C/c1ccc(F)s1	408717915	MKJLDUPKNJEYAW-LHHJGKSTSA-N	320.309	0.242	50	40	DCGB	
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)OCCCl	14187852	LUNVJACVRJKGKO-NSHDSACASA-N	320.736	0.994	50	40	DCGB	
O=C1NCCC[C@H]1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	57063789	VPKPCIZZLTZMBZ-MIJYTDESSA-N	306.278	0.277	50	40	DCGB	
O=C1N[C@H]2[C@@H]3C[C@@H]([C@H]2I)[C@H](C(=O)O)[C@@H]13	950757514	MUPLXNKKZNASQI-JIOKVTTDSA-N	307.087	0.255	50	40	DCGB	
COc1ccc(CCNC(=O)C(=O)NN=C(C)C)cc1OC	59515700	VXYRLSKHESLUSN-UHFFFAOYSA-N	307.350	0.875	50	40	DCGB	
N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1	4942679	OLLCDXXPFRINIH-SECBINFHSA-N	315.720	0.968	50	40	DCGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1	5465021	MXEPCOIGKFBSPU-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1	8109198	LZSPOLIDHRARCB-FRKPEAEDSA-N	311.725	0.807	50	40	DCGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1ccc2c(c1)OCO2	59516231	ZTGZOYYSJHXSTD-CAOOACKPSA-N	312.285	0.899	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc2c(c1)OCO2	7783558	HFTLNFNXDVRCSC-MIUNIBSDSA-N	319.317	0.161	50	40	DCGB	
NNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	223468825	NGVRZHODJUBENT-UHFFFAOYSA-N	311.407	0.784	50	40	DCGB	
Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1	482904	BJRCWOCTXWMQRY-LHHJGKSTSA-N	317.261	0.821	50	40	DCGB	
O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccco1	2316548	SKJKXHNGEREEAU-UHFFFAOYSA-N	305.315	0.935	50	40	DCGB	
Cc1noc(C)c1CC(=O)NNC(=O)Cc1c(C)noc1C	44980653	FDNKPQKYMYJUON-UHFFFAOYSA-N	306.322	0.829	50	40	DCGB	
CCc1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1	575422006	KHAZCHUUWJMYFA-PHDIDXHHSA-N	324.815	0.626	50	40	DCGB	
O=C(CCn1cccc1)NNC(=O)[C@H]1COc2ccccc2O1	73397951	CDHZCBJUQGVGJJ-CQSZACIVSA-N	315.329	0.866	50	40	DCGB	
O=C(Cc1nnn[nH]1)N/N=C/c1ccc(Br)cc1	6557364	JWJFYTRXLSOUEZ-WUXMJOGZSA-N	309.127	0.655	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1O	245238305	JEZDCPHWGIMNMF-RBJBARPLSA-N	316.313	0.676	50	40	DCGB	
CN(C)c1nc(NNC(=O)c2ccccc2)nc(N(C)C)n1	5599770	GQDDJOLERRDEOE-UHFFFAOYSA-N	301.354	0.761	50	40	DCGB	
C/C=C/C=C/C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	15940159	VDTFISZXSFHRQZ-COBAKMAKSA-N	312.329	0.827	50	40	DCGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1O	32719994	BGCJRAIERDFOCW-AWEZNQCLSA-N	314.297	0.993	50	40	DCGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1nonc1N	3150728	LCEKKCKJHKVBHF-WLRTZDKTSA-N	306.238	0.333	50	40	DCGB	
COC1=C(OC)[C@H]([C@@H](CBr)OC(C)=O)OC1=O	3843048	JAIZJDIWZLUPEB-RQJHMYQMSA-N	309.112	0.743	50	40	DCGB	biogenic
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1	58873296	YVUKDQJROAZDLY-LZYBPNLTSA-N	321.333	0.213	50	40	DCGB	
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	28619301	JPLDZUDFVBXUNW-VIFPVBQESA-N	300.318	0.520	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1CCC1	8734700	SZAFQOVNEZCPAK-UHFFFAOYSA-N	324.406	0.849	50	40	DCGB	
CC1=NN(CCCCl)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1	96306675	VYVXNIHZQHXXDH-UHFFFAOYSA-N	324.772	0.259	50	40	DCGB	
Cc1noc(C)c1CC(=O)NNC(=O)c1[nH]nc2c1CCCC2	8709998	RWOALBFZDBWZMU-UHFFFAOYSA-N	317.349	0.897	50	40	DCGB	
O=C1NC(=O)[C@](NC(=O)c2ccccc2)(C(Cl)Cl)N1	101426507	QGUCGMKQRYXNBW-NSHDSACASA-N	302.117	0.756	50	40	DCGB	
CC(C)C(=O)Nc1ccc(Cc2noc(C(=O)NN)n2)cc1	78404274	QVRPIKLDKRKNPA-UHFFFAOYSA-N	303.322	0.858	50	40	DCGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1	3150704	GLINAKXENGYSQL-LICLKQGHSA-N	305.334	0.840	50	40	DCGB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1	6159838	LTRGVETVNKIQDF-UHFFFAOYSA-N	321.786	0.395	50	40	DCGB	
C=CCNC(=S)NNC(=O)CC[C@@H](O)COCCC(C)C	13634443	MUPVCBKTFYSANG-GFCCVEGCSA-N	317.455	0.872	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)c2ccccn2)nc2ccccc21	7718372	SGEKKEOGNFEUPL-UHFFFAOYSA-N	309.329	0.972	50	40	DCGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(C)cc1	6029914	BYQFBAKUNAZOHO-RGEXLXHISA-N	312.329	0.964	50	40	DCGB	
COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)CCl	1264668	WMSZAZJMNQNIFY-GUBZILKMSA-N	302.758	0.427	50	40	DCGB	
O=C(NCC1CCCCCCC1)NNC(=O)C(=O)NC1CC1	95365045	WUSILKTYEXQPOW-UHFFFAOYSA-N	310.398	0.956	50	40	DCGB	
Cn1cnnc1SCC(=O)NNC(=O)c1ccc(F)cc1	2642544	GHBISMBGLGNTAN-UHFFFAOYSA-N	309.326	0.508	50	40	DCGB	
Cc1[nH]c(=O)[nH]c(=O)c1/C=N\NC(=O)c1cc2ccccc2o1	36667598	IZPKTHXTLAAVCT-APSNUPSMSA-N	312.285	0.882	50	40	DCGB	
NNC(=O)c1cnc(Cc2ccc(Br)cc2)[nH]c1=O	226100517	FFFWVKJYFIDAGF-UHFFFAOYSA-N	323.150	0.727	50	40	DCGB	
CCOC(=O)[C@H]1[C@H](C(=O)OCC)C=C(C#N)O[C@]1(C)NC(C)=O	245238754	ANFYUXVVSXAVBI-JMSVASOKSA-N	324.333	0.635	50	40	DCGB	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@H]21	257456157	JNRJLCSYIQFLDS-NCYRRLPBSA-N	314.765	0.372	50	40	DCGB	
CCOC(=O)C(C(=O)OCC)[C@@H]1CS(=O)(=O)C[C@H]1Cl	3156348	RFPGPAUXESPDSF-HTQZYQBOSA-N	312.771	0.381	50	40	DCGB	
NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	3326589	OOPWRNLJQOGPTN-UHFFFAOYSA-N	305.359	0.769	50	40	DCGB	in-vitro
NNC(=O)c1ccc(NS(=O)(=O)c2cccc(N)c2)cc1	20283531	PRRCYBCFMVEVPZ-UHFFFAOYSA-N	306.347	0.673	50	40	DCGB	in-vitro
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	25401540	JUDWSKHMOBRPEW-VIFPVBQESA-N	302.334	0.464	50	40	DCGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(N)=O	409020858	UVCVPJWCIMHQNC-LCYFTJDESA-N	315.329	0.316	50	40	DCGB	
CCN(CC)c1ccc(/C=N\NC(=O)CN2CCOCC2)o1	59246505	FJDLXLZFWRDEMH-WJDWOHSUSA-N	308.382	0.908	50	40	DCGB	
COCCn1cc(NC(=O)NNC(=O)NCC(F)(F)F)cn1	58135936	QLLKSOGDKLHMTC-UHFFFAOYSA-N	324.263	0.428	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1[N+](=O)[O-]	5514433	DDQVXMZTHQEXEE-OQLLNIDSSA-N	320.305	0.676	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1	7813064	XZTCKOMPQMUYCX-CXUHLZMHSA-N	309.322	0.004	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1OC	7785434	CJLFJRPDXSXUMC-RQZCQDPDSA-N	307.350	0.926	50	40	DCGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	59459748	NCWUUGXJHSZWOM-OVCLIPMQSA-N	306.278	0.356	50	40	DCGB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccn1	43930931	YFYGUSYIIBJCGS-SECBINFHSA-N	308.338	0.756	50	40	DCGB	
O=S1(=O)C[C@@H](Cl)[C@H](OS(=O)(=O)c2ccccc2)C1	3124752	QTKLLKYXEBAZKY-NXEZZACHSA-N	310.780	0.796	50	40	DCGB	
CCOC(=O)c1[nH]c(/C=N\NC(N)=O)c(C(=O)OCC)c1C	104320780	IMPLDXBVDDSILK-UUASQNMZSA-N	310.310	0.679	50	40	DCGB	
COc1cc([C@H]2ON=C(C(=O)NN)[C@@H]2C)c(OC)c2c1OCO2	12417215	XIKBMHCYNKOVMP-WKEGUHRASA-N	323.305	0.486	50	40	DCGB	
CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1C(=O)c1ccco1	32907908	SGKNCYSTSTVMRD-JTQLQIEISA-N	324.406	0.788	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1[N+](=O)[O-]	5380996	HNBGIAWCTPVSIZ-OVCLIPMQSA-N	322.321	0.968	50	40	DCGB	
C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	100170651	DQAFLSOTUMKUOY-MHCVYJKHSA-N	300.152	0.860	50	40	DCGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccnc1	100097005	ATCMNCYWZKFBKD-CYBMUJFWSA-N	310.313	0.648	50	40	DCGB	
Cc1cccc(N(C(=O)CCl)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	40177663	NQJVOAILRYHKNM-NEPJUHHUSA-N	317.794	0.725	50	40	DCGB	
COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21	223758006	PNNGHNMULKIENX-ATVHPVEESA-N	323.349	0.754	50	40	DCGB	
CC(=O)N[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	8198630	IJVQIDBZBKILNL-LBPRGKRZSA-N	322.321	0.517	50	40	DCGB	
NC(=O)NCc1ccc(C(=O)NNC(=O)c2ccco2)cc1	9479096	MCFISNLHWQHDEG-UHFFFAOYSA-N	302.290	0.523	50	40	DCGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccco2)nc1O	12833662	RXHWBBWKMLHSGD-UHFFFAOYSA-N	309.307	0.032	50	40	DCGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NNC(=O)c1ccccc1O	16694059	VSIAUWKRROYRKR-XFFZJAGNSA-N	312.285	0.007	50	40	DCGB	
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NN	211720139	CNZKLGZAOZTLDC-UHFFFAOYSA-N	313.379	0.148	50	40	DCGB	
CCNC(=O)NNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	2156291	RAEUFNJOMJIURY-UHFFFAOYSA-N	324.297	0.067	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O	17066389	VCLCYBCASZVNOJ-JLIMGVALSA-N	324.358	0.696	50	40	DCGB	
O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccncc1	350273	MUGQXUIDJWBGFG-UHFFFAOYSA-N	302.315	0.465	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)OC)cc1	3062018	WLVAISLTMUTQQR-LICLKQGHSA-N	321.333	0.076	50	40	DCGB	
C[C@@H](/C=N/NC(=O)CNc1nnc(O)nc1O)c1ccccc1	13638495	OBJBBUMAIIQXIZ-UVSFYCKTSA-N	316.321	0.600	50	40	DCGB	
CCOCCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl	40167562	WQQBVOJGUACFOQ-SFYZADRCSA-N	301.817	0.318	50	40	DCGB	
O=C(N[C@H](CO)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(Cl)Cl	77285597	FTMJFHVKAXPFIY-BDAKNGLRSA-N	323.132	0.909	50	40	DCGB	in-vitro
NC(=O)N/N=C/c1ccc(O)c(I)c1	564363	HBNONKAZGNYECF-NYYWCZLTSA-N	305.075	0.999	50	40	DCGB	
COc1ccc(/C=N/NC(=O)c2ccc(O)nn2)cc1OC	8691582	LASRHNOCVWGWFR-OVCLIPMQSA-N	302.290	0.963	50	40	DCGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1	59382174	JCURCWMHCPZBOE-YFEUJDIGSA-N	318.377	0.498	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	104779529	DKVPRXRSPYLYPC-WQZSMZHOSA-N	323.374	0.309	50	40	DCGB	
Cc1cc(C(=O)NNC(=S)Nc2cn(C)nc2C)n(C)n1	2787732	JIBNNXNMCLZRGV-UHFFFAOYSA-N	307.383	0.402	50	40	DCGB	
Nc1c(CN(CCCl)CCCl)c(=O)nc2[nH]cnn12	1598268	JBDGEAZSYUNBHS-UHFFFAOYSA-N	305.169	0.279	50	40	DCGB	
NNC(=O)CNC(=O)c1ccccc1I	4201777	OMFWTJLYDPPQJP-UHFFFAOYSA-N	319.102	0.011	50	40	DCGB	
CCOCCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	40167558	WQQBVOJGUACFOQ-YUMQZZPRSA-N	301.817	0.318	50	40	DCGB	
CN1CCN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)CC1	2398974	NPIRVWXOIYCVKJ-UHFFFAOYSA-N	320.356	0.877	50	40	DCGB	
Cc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)o1	7604760	OULNGMLUOKOVSL-UHFFFAOYSA-N	306.347	0.860	50	40	DCGB	
CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	26970397	HUMOELOGKYSGDR-UHFFFAOYSA-N	311.363	0.156	50	40	DCGB	
CCOC(=O)NNC(=O)CCn1c(C)nc2ccccc2c1=O	29760538	JULPGBHERICSGB-UHFFFAOYSA-N	318.333	0.872	50	40	DCGB	
NNC(=O)[C@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1	149871	QSEDNOKNZJUECI-SNVBAGLBSA-N	321.811	0.394	50	40	DCGB	
CCOC(=O)NC(=O)/C(C#N)=C/N[C@@H](CO)c1ccccc1	100219610	IFMWOPLJLHHTTJ-SRXBQZRASA-N	303.318	0.990	50	40	DCGB	
COc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc1	7067480	MTUDGCQTKPVXOY-LBPRGKRZSA-N	309.391	0.983	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1O	2335340	JQISMEHDJHLMNK-SXGUVYOMSA-N	321.333	0.146	50	40	DCGB	
C=CCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)CCCC)C1=O	9350159	BHCVXQCPSGNRPS-PKNBQFBNSA-N	308.338	0.336	50	40	DCGB	
C#CCN1C(=O)/C(=N\NC(=O)c2cc(C)n[nH]2)c2ccccc21	18323018	PUBNEOFVPUBICP-RGEXLXHISA-N	307.313	0.832	50	40	DCGB	
O=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)C1CC1	54871094	BUCAQFWIIDZFRN-UHFFFAOYSA-N	321.402	0.970	50	40	DCGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/C(=O)O)cc1	5710871	BPJWPCPDPNVQOG-BQYQJAHWSA-N	305.290	0.437	50	40	DCGB	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccccn1	15796177	AKFOWUQKIVNQGP-UHFFFAOYSA-N	313.239	0.758	50	40	DCGB	
Cc1ccn(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1	61869568	DEDZKERIPTWHNE-VGOFMYFVSA-N	303.278	0.956	50	40	DCGB	
NNC(=O)Cc1nc(CNc2ccc(C(F)(F)F)cc2)n[nH]1	40175876	WSWXNQJOWKOOAS-UHFFFAOYSA-N	314.271	0.968	50	40	DCGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccco1	8442774	AOISHIWIGJXZRM-MKMNVTDBSA-N	316.281	0.288	50	40	DCGB	
NNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1	6235058	BQRJGOQBGBZXAA-UHFFFAOYSA-N	321.358	0.856	50	40	DCGB	
CCCC[C@]1(C)[C@@H]2SCC(=O)N2CCN1CC(=O)NN	35930572	OCYKPJDKVMCEIM-QWHCGFSZSA-N	300.428	0.142	50	40	DCGB	
CCn1ccc(C(=O)NNC(=S)Nc2cn(C)nc2C)n1	2794238	KZKNKUMPCFKUKC-UHFFFAOYSA-N	307.383	0.576	50	40	DCGB	
COc1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	2927835	JJQXPQIPXWHPMK-UWVGGRQHSA-N	303.767	0.829	50	40	DCGB	
CCc1sc(C(=O)NNC(=O)Cn2cnc(C#N)n2)cc1C	58133764	NDNVMKBGUACIJZ-UHFFFAOYSA-N	318.362	0.543	50	40	DCGB	
NNC(=O)COc1ccc(=O)n(Cc2ccc(Cl)cc2)n1	524732548	AUIQGPVSNLOMIX-UHFFFAOYSA-N	308.725	0.314	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1cc(OC)ccc1OC	3061996	MBEBUDKCKLLNAF-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)CSc1nnnn1Cc1ccco1	104760222	VCGNKRPUXZYARO-NTMALXAHSA-N	304.335	0.732	50	40	DCGB	
O=C(CCl)N(CCCn1ccnc1)[C@@H]1CCS(=O)(=O)C1	217383359	QWGGHNUFQOZOBS-LLVKDONJSA-N	319.814	0.528	50	40	DCGB	
COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1	7784616	XYLXSANNOMFRTR-UWONZBIMSA-N	305.334	0.441	50	40	DCGB	
O=C(NC[C@H]1CCS(=O)(=O)C1)OC[C@H](Cl)CCl	59568603	MMKDGSHIPHMZSK-HTQZYQBOSA-N	304.195	0.994	50	40	DCGB	
O=C(CN1CCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	7987780	MNEWFOYCKSQCEF-AWEZNQCLSA-N	303.362	0.766	50	40	DCGB	
O=C1CC[C@H](N2C(=O)c3ccc(C(=O)O)cc3C2=O)C(=O)O1	104550423	PBXCCYLWUUIAMA-VIFPVBQESA-N	303.226	0.213	50	40	DCGB	
O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1cnccn1	12944344	FPSWGZOMRWRKDO-RMKNXTFCSA-N	304.331	0.712	50	40	DCGB	
Cc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1	409078937	JHODHKWHAIQSIF-LBPRGKRZSA-N	323.356	0.644	50	40	DCGB	
CC[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C\[C@H]1CC=CCC1	4482775	ZMOWEPAMSFCPEQ-BZOOZNIZSA-N	320.353	0.107	50	40	DCGB	
CCOC(=O)[C@H](Br)[C@H](OC(C)=O)C(=O)OCC	77011620	WAEXOXZYBOQKKQ-SFYZADRCSA-N	311.128	0.808	50	40	DCGB	
Cc1cccc(S(=O)(=O)NNC(=O)Cc2cccn2C)c1	2643401	VSTZPUUKSZDIDB-UHFFFAOYSA-N	307.375	0.886	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(C(=O)O)cc1	59515821	LSZOSOJFDBFDOC-VQGSWFTOSA-N	319.317	0.130	50	40	DCGB	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1	12814200	ZHEJILZOSKTLGT-UHFFFAOYSA-N	318.326	0.880	50	40	DCGB	
CC1(C)SC[C@H](C(=O)NNC(=O)c2ccccc2)N1C=O	4158419	MTQHAIWAUPACCY-LLVKDONJSA-N	307.375	0.758	50	40	DCGB	
O=C(CC(=O)N/N=C/c1cccc(O)c1)NCc1cccnc1	59461583	COZQWNYYRSBQOT-YBFXNURJSA-N	312.329	0.944	50	40	DCGB	
CC(C)C[C@H](Br)C(=O)NCC(=O)NCC(=O)O	1575462	ZBXSVQJKCGZRKV-ZETCQYMHSA-N	309.160	0.113	50	40	DCGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSCCO	3238052	UYSHWFXHMNOBEQ-UHFFFAOYSA-N	318.782	0.592	50	40	DCGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	5774777	LUYGCSZMJDYYDA-MHWRWJLKSA-N	318.358	0.510	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1c([N+](=O)[O-])cnn1C	252492660	MRTNUVHFRJORSB-YIXHJXPBSA-N	309.261	0.273	50	40	DCGB	
CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2	13984577	ZZIYORVILKQGGN-UHFFFAOYSA-N	300.336	0.423	50	40	DCGB	
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccco1	44936576	XQBBLUTVBVCJBM-UHFFFAOYSA-N	315.333	0.747	50	40	DCGB	
CC(=O)NNC(=O)CSc1nnc(C)n1Cc1ccccc1	420756	XRNAFIUCEGYXJI-UHFFFAOYSA-N	319.390	0.894	50	40	DCGB	
COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OC(C)=O	3206545	PYHMFUNLANATRY-GIDUJCDVSA-N	319.277	0.350	50	40	DCGB	
COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1	14921860	QULBXLHRWXCCEA-WOJGMQOQSA-N	320.349	0.270	50	40	DCGB	
NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	40434	DMYUYRAHAWEPAD-SNVBAGLBSA-N	303.771	0.483	50	40	DCGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cccnc2)cc1	2267630	KQZIHYCNIRADIN-VXLYETTFSA-N	312.329	0.970	50	40	DCGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccco1	5774779	JEYJPVQPGUNGSN-NTEUORMPSA-N	307.331	0.708	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1C[C@@H]1C	9364152	YTWRPAFNXHNUHB-WCBMZHEXSA-N	324.406	0.705	50	40	DCGB	
CN(C)c1cccc(C(=O)NNC(=O)c2nccnc2N)c1	12734449	BGSGDJWPBWDVMT-UHFFFAOYSA-N	300.322	0.200	50	40	DCGB	
Cn1cc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cn1	252490518	KWBAGOXBMMVACN-PJQLUOCWSA-N	300.244	0.943	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1cc(OC)c(OC)cc1C	26528851	HWYZHEGLJFKTAP-UHFFFAOYSA-N	318.351	0.952	50	40	DCGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3nc(O)[nH]c(=O)c32)c1	134228	IKFYYPMXHVCZBA-SNVBAGLBSA-N	312.285	0.702	50	40	DCGB	
Nc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	2251388	DMXCVLQJDZTNQC-AWEZNQCLSA-N	324.340	0.835	50	40	DCGB	
CC(C)CNC(=O)CC(=O)N/N=C\c1ccccc1C(=O)O	59444500	OZBNDJVDUQAGEK-MFOYZWKCSA-N	305.334	0.997	50	40	DCGB	
CCNC(=O)N(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	95945079	ONLFSYVJEAOHTL-UHFFFAOYSA-N	302.312	0.449	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1	344170	CVYZJPMDAKOYEQ-LHHJGKSTSA-N	305.319	0.542	50	40	DCGB	
CC(=O)N[C@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	25401535	JUDWSKHMOBRPEW-SECBINFHSA-N	302.334	0.464	50	40	DCGB	
NC1=N[C@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1	101426309	VCSKLPACBWNHNL-LLVKDONJSA-N	301.133	0.361	50	40	DCGB	
CCc1ccc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1	94549	PAICBJHWKMAPEI-CXUHLZMHSA-N	315.333	0.104	50	40	DCGB	
Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@]23CCC[C@]12C3Br	104291025	YIZUZQSNJNNZPK-ZORNQKGSSA-N	324.178	0.948	50	40	DCGB	
CCc1ccc(NS(=O)(=O)c2cc(C(=O)NN)[nH]n2)cc1	1775968969	PVNRALBJDFNFIS-UHFFFAOYSA-N	309.351	0.376	50	40	DCGB	
CN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3337395	WCAKBBYFRPKBQC-UHFFFAOYSA-N	322.752	0.369	50	40	DCGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(=O)NCC(C)C	4592144	AFCXLNKGQWYXFA-WOJGMQOQSA-N	322.365	0.550	50	40	DCGB	
O=C1OC(=O)[C@@H]2C3C=C4CCCCC4([C@@H]12)[C@H]1C(=O)OC(=O)[C@H]31	101045279	CTMNMKNVTBAOON-PPVQXLENSA-N	302.282	0.748	50	40	DCGB	
Cc1cc([N+](=O)[O-])nn1CCC(=O)NNC(=S)NC1CC1	2788380	QLGNQAALYJVTKE-UHFFFAOYSA-N	312.355	0.148	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1	3009239	ACMFITJCTMOTJF-YRUBURHZSA-N	305.334	0.441	50	40	DCGB	
NC(=O)N/N=C/c1c(N2CCCCC2)nc2ccccn2c1=O	1496683	UZCWYVXZNJWORO-LICLKQGHSA-N	314.349	0.687	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccccc1	408653163	FDENAMBWVYSDSS-MLGHIDQZSA-N	300.314	0.645	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@]2(C)[C@@H]1C(=O)N(C)C(=O)N2C	4265222	OKVUJYVTWDTXOQ-BFVZDQMLSA-N	307.306	0.460	50	40	DCGB	biogenic
CCCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	6120211	LHBGIFFJGFQEFS-UHFFFAOYSA-N	309.278	0.699	50	40	DCGB	
O=C(CNC(=O)c1cccnc1)N/N=C1\C(=O)Nc2ccccc21	5731651	PXNFUIMVHZUUES-UHFFFAOYSA-N	323.312	0.284	50	40	DCGB	
CNC(=S)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O	169341	NEOOZFANSSFTNX-VIFPVBQESA-N	310.404	0.615	50	40	DCGB	
CC(C)c1ccc(NC(=O)COCC(=O)NNC(N)=O)cc1	4690213	PCVRLPWBXRBAJM-UHFFFAOYSA-N	308.338	0.465	50	40	DCGB	
CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)C2CCCC2)CC1	69654676	QECUERIOQPJSQV-LBPRGKRZSA-N	324.425	0.267	50	40	DCGB	
CCc1ccc(C(=O)NNC(=O)c2c([N+](=O)[O-])cnn2C)cc1	95452276	DQZGORNOYRAOOZ-UHFFFAOYSA-N	317.305	0.966	50	40	DCGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@@]2(C)[C@@H]1C(=O)N(C)C(=O)N2C	4265223	OKVUJYVTWDTXOQ-BHDSKKPTSA-N	307.306	0.460	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1C(=O)O	4904642	HTUMXDFQGDMMNE-CPWFCVNUSA-N	319.317	0.130	50	40	DCGB	
CCNC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1	2299225	WPMPZHWPJZYUSY-UHFFFAOYSA-N	313.379	0.841	50	40	DCGB	
O=S1(=O)CC[C@H](NC(=S)OC[C@@H](Cl)CCl)C1	59568587	LYFCOUTYNAFKFH-BQBZGAKWSA-N	306.236	0.911	50	40	DCGB	
Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCCl	10049382	ZYSZSSDHFNNUOE-UHFFFAOYSA-N	309.757	0.922	50	40	DCGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)O)cc1	58882281	DKFLJRYRRNQPOL-AXLKIAQESA-N	307.350	0.421	50	40	DCGB	
Cn1c(=O)c2c(nc(N/N=C/C(Cl)Cl)n2C)n(C)c1=O	5425183	GMXXSOIXMQJOOD-YIXHJXPBSA-N	319.152	0.172	50	40	DCGB	
COc1ccccc1Cn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O	72415064	ZRBBUFVDXDMALJ-UHFFFAOYSA-N	323.736	0.597	50	40	DCGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1	5944423	MMSPJHUCQZVVEL-UHFFFAOYSA-N	322.302	0.613	50	40	DCGB	
O=C1CCC(C(=O)NNC(=O)CSc2ccccc2F)=NN1	7652924	WLXIAPHECMDIPP-UHFFFAOYSA-N	324.337	0.331	50	40	DCGB	
Cc1nnc(SCC(=O)NNC(=O)COc2ccccc2)[nH]1	7604904	LCISOUMWVCWUNA-UHFFFAOYSA-N	321.362	0.432	50	40	DCGB	
COC(=O)NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2	7813505	GZXAMOKIQHEMEI-UHFFFAOYSA-N	309.366	0.706	50	40	DCGB	
NNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1	16428934	IIZRKZTUGSFQIB-UHFFFAOYSA-N	313.379	0.276	50	40	DCGB	
COc1ccc(CCC(=O)NNc2nnc(C)c(=O)[nH]2)cc1	22416432	RLUCTQUEGIVUDG-UHFFFAOYSA-N	303.322	0.558	50	40	DCGB	
NNC(=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1	225499974	CZPFTRCWAQUZAZ-UHFFFAOYSA-N	306.347	0.164	50	40	DCGB	
COCCNC(=S)NNC(=O)COc1cccc(Cl)c1	42083545	MFXLZEOKCIEBPL-UHFFFAOYSA-N	317.798	0.861	50	40	DCGB	
CCc1ccc(OCC(=O)NN[C@H]2CCS(=O)(=O)C2)cc1	5258863	PZECSORFJSQISH-LBPRGKRZSA-N	312.391	0.436	50	40	DCGB	
CC(C)(NC(=O)NN)c1cccc(C(C)(C)NC(=O)NN)c1	16323386	ASEXLTHKBKMTIR-UHFFFAOYSA-N	308.386	0.503	50	40	DCGB	
COc1ccc(C(=O)NN)cc1S(=O)(=O)N1CCCCC1	223469106	OHIAAYKNSGVUTO-UHFFFAOYSA-N	313.379	0.473	50	40	DCGB	
CCNC(=S)NNC(=O)c1c(Br)c(C)nn1C	2793663	KWBAWZAHZYDFLI-UHFFFAOYSA-N	320.216	0.620	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])s1	3085759	LCMCEGFSBGOQQQ-AWNIVKPZSA-N	306.307	0.721	50	40	DCGB	
CC(NNC(=O)c1ccccc1Cl)=C1C(=O)NC(=O)NC1=O	9319885	HZFSSIKBIFNQPT-UHFFFAOYSA-N	322.708	0.214	50	40	DCGB	
C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)S(C)(=O)=O	48069389	DQFSMQMVZAWBMU-ZETCQYMHSA-N	316.404	0.431	50	40	DCGB	
O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccccc1	411373	NKTTYKSLSNVBPO-UHFFFAOYSA-N	322.328	0.801	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O	4651641	VCLCYBCASZVNOJ-KATARQTJSA-N	324.358	0.696	50	40	DCGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(N2CCCC2)o1	59138272	MAJWFVBBBPSHGW-LFIBNONCSA-N	306.366	0.662	50	40	DCGB	
CC[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C\[C@@H]1CC=CCC1	4482776	ZMOWEPAMSFCPEQ-DFUKEALSSA-N	320.353	0.107	50	40	DCGB	
CC(=O)Nc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1	408997938	PCMLMVLLKCCZLP-YBEGLDIGSA-N	304.350	0.427	50	40	DCGB	
NS(=O)(=O)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1	45953617	NXNIWWYWCIPHJB-SSDOTTSWSA-N	302.739	0.452	50	40	DCGB	
CCOCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	40167556	WQQBVOJGUACFOQ-JGVFFNPUSA-N	301.817	0.318	50	40	DCGB	
C[C@@]1(C(=O)NNC(=O)c2ccc(=O)oc2)C[C@H]1Br	2293072	XMYPLAYZCHLORV-RDDDGLTNSA-N	315.123	0.574	50	40	DCGB	
Cc1nn(C)cc1[C@@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O	101442716	ADEAIRIXRHCDCA-LBPRGKRZSA-N	314.301	0.392	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@](C)(NC(C)=O)[C@@H]1C(=O)OCC	4267759	ANFYUXVVSXAVBI-TYNCELHUSA-N	324.333	0.635	50	40	DCGB	biogenic
CN(CC(=O)NN)S(=O)(=O)c1ccc(Br)cc1	16188006	DVONCWVSDPWHHO-UHFFFAOYSA-N	322.184	0.060	50	40	DCGB	
COC(=O)NNS(=O)(=O)c1cccc(Br)c1	7405537	MKOWVQUUTDCPMA-UHFFFAOYSA-N	309.141	0.998	50	40	DCGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)CC#N	409238693	NKZPJOKWFXDJFS-GZTJUZNOSA-N	302.334	0.896	50	40	DCGB	
COc1ccc(C(=O)N/N=C\c2c(C)[nH]c(=O)[nH]c2=O)cc1	19881229	ZLVDIMXFJIECRL-CHHVJCJISA-N	302.290	0.144	50	40	DCGB	
CCN(CC(=O)NN)S(=O)(=O)c1ccc(OC)c(Cl)c1	19930016	ANLLNKWETAOXKS-UHFFFAOYSA-N	321.786	0.349	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2N(C)C(=O)N(C)C(=O)[C@@]12C	103208496	LOZLNFDEXXCMFV-MRCXROJRSA-N	307.306	0.460	50	40	DCGB	
CN1C[C@@]2([N+](=O)[O-])CC=C(OCCCl)[C@]([N+](=O)[O-])(C1)C2	2581593	NKGMMWFINJRINN-GHMZBOCLSA-N	305.718	0.896	50	40	DCGB	
COC(=O)Cc1n[nH]c2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2	4010278	OXUPYAQJVOZFJF-UOWDBTKRSA-N	304.306	0.258	50	40	DCGB	
O=C(CSCc1ccccc1)NNC(=O)N1CCOCC1	18193697	KSJXOGZQYILDEQ-UHFFFAOYSA-N	309.391	0.993	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1OC	3062074	QJARPRQJHOZHTG-LICLKQGHSA-N	305.334	0.846	50	40	DCGB	
N#C/C(=C\N1CCC(C(N)=O)CC1)C(=O)NCc1ccco1	32032360	FVKRVRZUAAMTDJ-ZRDIBKRKSA-N	302.334	0.501	50	40	DCGB	
CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	72403283	FOWILGWQIWOVPD-QGZVFWFLSA-N	322.324	0.763	50	40	DCGB	
CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	72403284	FOWILGWQIWOVPD-KRWDZBQOSA-N	322.324	0.763	50	40	DCGB	
C=CCN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(=O)N=C1O	2248558	UEJZKRIXEKTXLN-PKNBQFBNSA-N	314.301	0.274	50	40	DCGB	
C[C@H](Cl)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	495091	BTKIMKCCAXRYLF-BYPYZUCNSA-N	321.562	0.813	50	40	DCGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1C(=O)NN)C(=O)C=[N+]=[N-]	16034529	HUWPBLWVKIICNU-RNCFNFMXSA-N	317.349	0.304	50	40	DCGB	
COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1	7784622	XYLXSANNOMFRTR-UDPFGDFPSA-N	305.334	0.441	50	40	DCGB	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](O)[C@H]12	257456158	JNRJLCSYIQFLDS-QIOFJFKFSA-N	314.765	0.372	50	40	DCGB	
O=C(O)CCC(=O)NNC(=O)/C(=C/c1ccccc1)CCO	4953500	BQRBGTOMSPTKPF-ZRDIBKRKSA-N	306.318	0.465	50	40	DCGB	
O=C(COc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	9476649	UUFXWSSYXDDVPQ-WDEREUQCSA-N	303.767	0.586	50	40	DCGB	
COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CCl)C2=O)cc1	9690943	DYBOUCWZPBKPIW-CYBMUJFWSA-N	311.725	0.732	50	40	DCGB	
COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1nonc1N	13152531	LCEKKCKJHKVBHF-ACAGNQJTSA-N	306.238	0.333	50	40	DCGB	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(O)c1	10630054	IRCCOGOTUAGYLI-UHFFFAOYSA-N	302.334	0.746	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)NNCc1ccccc1Cl	5583946	PUVQLGZZANQIQN-LLVKDONJSA-N	311.769	0.756	50	40	DCGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(O)cc1O	8385203	YCENLXBLWYCPOO-VGOFMYFVSA-N	320.265	0.403	50	40	DCGB	
COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)CCl)C(F)(F)F	12402639	MUXGTVXCWJHBNO-SECBINFHSA-N	314.647	0.219	50	40	DCGB	
CCn1nnc2cc(C(=O)NNC(=O)c3cnccn3)ccc21	11528769	RAXCCCFPYKPYAX-UHFFFAOYSA-N	311.305	0.316	50	40	DCGB	
O=C1C[C@H](C(=O)O)SC(NNC(=O)c2ccc(F)cc2)=N1	5180255	WGVKFCYFDIVPAK-MRVPVSSYSA-N	311.294	0.533	50	40	DCGB	
CNNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1	2765061	IZAUFTPTQOQEET-ZETCQYMHSA-N	300.156	0.818	50	40	DCGB	
Cc1ccccc1Cn1nc(C)c(NC(=O)C(=O)NN)c1C	2787345	RQHBNSRNADTUPF-UHFFFAOYSA-N	301.350	0.785	50	40	DCGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1	15510535	JXXPIHDGVGDAKC-UHFFFAOYSA-N	322.302	0.613	50	40	DCGB	
CCOCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	40167560	WQQBVOJGUACFOQ-HTQZYQBOSA-N	301.817	0.318	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OC	5511609	FWINZHWNPNKCHF-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2N(C)C(=O)N(C)C(=O)[C@]12C	4265224	LOZLNFDEXXCMFV-BHYNMZESSA-N	307.306	0.460	50	40	DCGB	biogenic
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)oc1C	7778571	CUNIXNYVKSHMRM-CPCISQLKSA-N	310.354	0.740	50	40	DCGB	
CCc1ccc(C(=O)NNC(=O)c2ccc(=O)n(C)n2)cc1	12869847	JSVUGSXJXQSIEN-UHFFFAOYSA-N	300.318	0.418	50	40	DCGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)N1CCOCC1	566711	IWKGGSROZCGTNZ-UKTHLTGXSA-N	316.313	0.916	50	40	DCGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@@H]2N(C)C(=O)N(C)C(=O)[C@]12C	4265228	LOZLNFDEXXCMFV-LQJRIPTKSA-N	307.306	0.460	50	40	DCGB	
Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccccc1O	7708601	MFSAOPXEDBIOBM-UHFFFAOYSA-N	324.362	0.366	50	40	DCGB	
CCOC(=O)C[C@](O)(C(=O)OCC)[C@H](CC)C(=O)OC(C)=O	100044580	IGBODGYRGPXUKE-QMTHXVAHSA-N	318.322	0.350	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1	59459495	XQKOMHWBEXHSTC-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN)CC2)c1	408969613	QTAYQBAHXMGLNB-UHFFFAOYSA-N	307.350	0.546	50	40	DCGB	
CCn1ncc(/C=N/NC(=O)c2nn(C)cc2[N+](=O)[O-])c1F	252492631	MQYWAAWIAUGKBM-YIXHJXPBSA-N	309.261	0.448	50	40	DCGB	
Cc1ccc(-n2nc(C(=O)NN)c(C)c(C#N)c2=O)cc1Cl	1075789	PPQCANWQAHTDLB-UHFFFAOYSA-N	317.736	0.978	50	40	DCGB	
O=C(CCN1CCOCC1)N/N=C/c1ccc(C(=O)O)cc1	27816	KHADGFNMIZLZDN-LFIBNONCSA-N	305.334	0.557	50	40	DCGB	
COc1ccc(/C=N/NC(=O)NNC(=O)CCl)cc1OC	1598006	HNDBBRBPSGJWJT-VGOFMYFVSA-N	314.729	0.607	50	40	DCGB	
Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)o1	7652522	JAFZUHCSNXFJSJ-UHFFFAOYSA-N	305.290	0.680	50	40	DCGB	
C=CCc1cccc(/C=N/NC(=O)CN2CCOCC2)c1O	19855692	CQYHITGMYNRBLF-GZTJUZNOSA-N	303.362	0.903	50	40	DCGB	
C=CCc1ccccc1OCC(=O)NNC(=O)/C=C/C(=O)O	27532600	BFLBCNZRKFQJLQ-CMDGGOBGSA-N	304.302	0.582	50	40	DCGB	
NCCCCCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	575423152	YLTIVLACKCDWDD-ZJUUUORDSA-N	311.835	0.209	50	40	DCGB	
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCl	365915	ZNVNYZWBMCOPOE-UHFFFAOYSA-N	307.535	0.425	50	40	DCGB	
CC(C)NC(=S)NNC(=O)[C@H]1CCCN1C(=O)c1ccco1	32907909	SGKNCYSTSTVMRD-SNVBAGLBSA-N	324.406	0.788	50	40	DCGB	
CC1(C)O[C@H]2O[C@@H](CI)[C@H](O)[C@H]2O1	4775264	DCKHXMRAJOEGMI-VWDOSNQTSA-N	300.092	0.659	50	40	DCGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1	6563047	KBTIFQRZXBYPMT-VGOFMYFVSA-N	304.335	0.584	50	40	DCGB	
COc1c([C@H]2ON=C(C(=O)NN)[C@@H]2C)cc2c(c1OC)OCO2	15082569	GFKLQWQCYNWQJV-WKEGUHRASA-N	323.305	0.486	50	40	DCGB	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)C2CCCC2)CC1	69654674	QECUERIOQPJSQV-GFCCVEGCSA-N	324.425	0.267	50	40	DCGB	
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NN)cc1Cl	408551242	GVWQQTPABIEBHK-ZCFIWIBFSA-N	307.759	0.005	50	40	DCGB	
O=C(Cc1ccccc1)NNC(=S)NC(=O)c1cccnc1	2367658	AHHDMDRBCWSCGS-UHFFFAOYSA-N	314.370	0.960	50	40	DCGB	
CCNC(=S)NNC(=O)[C@@H](C)N1C(=O)COc2ccccc21	15019923	FJWDDIYJHQQFNB-SECBINFHSA-N	322.390	0.316	50	40	DCGB	
COc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC	31283653	BQQTYFYHEDLIFO-SXGWCWSVSA-O	310.374	0.869	50	40	DCGB	
Cc1nn(CC(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-]	252507714	WSPNNNNVFFIPQD-LNKIKWGQSA-N	323.288	0.431	50	40	DCGB	
C[C@H]1CCCCN1S(=O)(=O)c1ccsc1C(=O)NN	15424147	CVUWDROADOYHAO-QMMMGPOBSA-N	303.409	0.915	50	40	DCGB	
COCCNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12	7813076	SXORKIZGHPJEOO-VCHYOVAHSA-N	315.329	0.758	50	40	DCGB	
COc1ccc(/C(C)=N/NC(=O)c2nonc2N)c(OC)c1	5370229	FHMKUISWGBCNFS-VIZOYTHASA-N	305.294	0.823	50	40	DCGB	
CCOC(=O)C(C(=O)OCC)[C@H]1CS(=O)(=O)C[C@H]1Cl	5315291	RFPGPAUXESPDSF-JGVFFNPUSA-N	312.771	0.381	50	40	DCGB	
Cc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)o1	2541946	IVDYMIUTLDDIBS-LHHJGKSTSA-N	316.281	0.206	50	40	DCGB	
CC(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1	32969585	OGLJINCXYUKINV-UHFFFAOYSA-N	316.383	0.072	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)N2CCCCC2)c1O	3059297	NDTBIHBPENMMGN-MHWRWJLKSA-N	305.334	0.863	50	40	DCGB	
O=C(O)COc1ccc(CNC(=O)CCl)cc1[N+](=O)[O-]	12428477	GZQIWAMGXCHUOZ-UHFFFAOYSA-N	302.670	0.913	50	40	DCGB	
CC1(CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)OCCO1	15223185	UKHJCKISQHWNOK-RIYZIHGNSA-N	309.278	0.904	50	40	DCGB	
O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)c1cccc(O)c1	16720316	NSFKTRYVMMQRNX-NTEUORMPSA-N	323.308	0.938	50	40	DCGB	
CCS(=O)(=O)[C@@H](I)[C@H](O)C1CC1	96519305	LTJXMOJFWBMYQJ-RNFRBKRXSA-N	304.149	0.953	50	40	DCGB	
COc1ccc(NC(=O)C/C(C)=N/NC(N)=O)c([N+](=O)[O-])c1	100931124	RJBAWYXXAJJXKB-VIZOYTHASA-N	309.282	0.976	50	40	DCGB	
COc1cc(C(=O)NNC(=O)/C=C/C(=O)O)cc(OC)c1OC	1794701	FLJPCVIXFARWJL-SNAWJCMRSA-N	324.289	0.114	50	40	DCGB	
N#CCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59377964	GJPZRYSESUCJBG-MHWRWJLKSA-N	317.305	0.795	50	40	DCGB	
CCOC(=O)CNC(=O)N/N=c1\sc2ccccc2n1C	2361527	VVXJMRKFWNSJBG-SSZFMOIBSA-N	308.363	0.918	50	40	DCGB	
C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)C2CC2)C1=O	58358213	PAJIGSLYWGPBQF-SECBINFHSA-N	303.318	0.358	50	40	DCGB	
Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1ccccc1O	71285682	RWKGYXAHXGUSME-UHFFFAOYSA-N	310.335	0.057	50	40	DCGB	
CCc1ccc2c(c1)/C(=N/NC(=O)C(=O)N1CCCC1)C(=O)N2	59520263	AWACYCRUZMCPHG-UHFFFAOYSA-N	314.345	0.644	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1	24127218	OLWNOCSDMXXCLE-VIFPVBQESA-N	316.404	0.642	50	40	DCGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1C[C@H]1C	9364156	YTWRPAFNXHNUHB-SCZZXKLOSA-N	324.406	0.705	50	40	DCGB	
CN(C)c1ccc(/C=N/NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	195982	YMCASSZKODPBTM-VIZOYTHASA-N	317.309	0.403	50	40	DCGB	
COc1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1O	3210484	UNLDZLSWBHYPEF-VIZOYTHASA-N	318.289	0.257	50	40	DCGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OC(C)C)cc1	7784408	BPLGXTTUWXWMPB-LICLKQGHSA-N	307.350	0.687	50	40	DCGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)NC(N)=O)c(OC)c1	409246774	DIUAEWTVGZWOMK-YWEYNIOJSA-N	305.290	0.814	50	40	DCGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)[nH]c1	16039571	MPPRAJIXKSKHEC-UHFFFAOYSA-N	321.720	0.868	50	40	DCGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1	2457848	TYOQEDJEURTNRB-UHFFFAOYSA-N	302.783	0.758	50	40	DCGB	
CC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3663374	URXYMNAGVPADIN-UHFFFAOYSA-N	308.294	0.271	50	40	DCGB	
CN(C)c1ccc(/C=N\NC(=O)CNC(=O)n2ccnc2)cc1	31769498	PONDIWWLCSHYGY-NVMNQCDNSA-N	314.349	0.657	50	40	DCGB	
COCCNC(=O)C/C(C)=N/NC(=O)c1ccc(O)cc1O	100376365	VMRCFINVBIKTRI-CXUHLZMHSA-N	309.322	0.356	50	40	DCGB	
Cc1cc2c(B(O)O)ccnc2n1S(=O)(=O)c1ccccc1	200996928	BAPSFUIWXDEGJT-UHFFFAOYSA-N	316.147	0.262	50	40	DCGB	
O=C(Cc1ccccc1)NNC(=O)Cn1nnc2ccccc21	411856	IFYWZILYFNHZOE-UHFFFAOYSA-N	309.329	0.821	50	40	DCGB	
CC(C)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	15940114	AECNQSHCQXYOBU-UHFFFAOYSA-N	302.334	0.741	50	40	DCGB	
CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc(C)n(C)n2)C(=O)O1	101540701	YCKYUFXGERHQTK-FMIVXFBMSA-N	304.306	0.267	50	40	DCGB	
CC1(C)[C@]2(C(=O)NNC(=O)c3ccccn3)CC[C@@]1(C)C(=O)O2	8236812	DJELYTJHJYDNCI-JKSUJKDBSA-N	317.345	0.965	50	40	DCGB	
Cc1nonc1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	16265808	QAGTWGUXPJMMGC-YIXHJXPBSA-N	319.233	0.779	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1	100557771	OIQGZWBQLJOIID-CYDGBPFRSA-N	300.314	0.971	50	40	DCGB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(N)=O)CC1	409006204	HRZHIXYELHFLOZ-DHDCSXOGSA-N	306.326	0.349	50	40	DCGB	
C[C@]1(C(=O)NNC(=O)c2ccc(=O)oc2)C[C@@H]1Br	2293075	XMYPLAYZCHLORV-CPCISQLKSA-N	315.123	0.574	50	40	DCGB	
O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(F)cc1	3061787	JIEHGVGYNPQRBK-VXLYETTFSA-N	300.293	0.987	50	40	DCGB	
CC1(C)O[C@@H]2[C@H](O[C@@H](CI)[C@@H]2O)O1	4775266	DCKHXMRAJOEGMI-ZTYPAOSTSA-N	300.092	0.659	50	40	DCGB	
O=C(CCn1cncn1)NNC(=O)c1cc2c(s1)CCC2	44895884	DKEKASLEGQTRPL-UHFFFAOYSA-N	305.363	0.680	50	40	DCGB	
COC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1C	28196627	NBIQRIADEUABRI-UHFFFAOYSA-N	302.308	0.331	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(OC)c(OC)c1	3062058	KFFUBENKJKMNJT-LICLKQGHSA-N	305.334	0.846	50	40	DCGB	
CCOC(=O)NN(C(=O)OCC)[C@@H]1CCN=C1C(=O)OC	5830290	XDYOROXKPPCENM-MRVPVSSYSA-N	301.299	0.492	50	40	DCGB	
C[C@H](O)CCC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O	100786237	MVDYHLLNMWSHLF-JQWIXIFHSA-N	305.334	0.100	50	40	DCGB	
OC[C@H]1O[C@@H](SSc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O	77319478	BRZSUUGAVYFRNR-GCHJQGSQSA-N	304.389	0.227	50	40	DCGB	in-vitro
O=S1(=O)C[C@@H]2[C@H](C1)N=C1S[C@@H](CBr)CN12	3043025	CWWYRCAKFSRBHT-LYFYHCNISA-N	311.226	0.334	50	40	DCGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)[nH]n1	5695581	KSDZEUDDRUTILO-UHFFFAOYSA-N	316.361	0.747	50	40	DCGB	
Cn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1=O	12950737	SDKKPAZNHBAUII-UHFFFAOYSA-N	306.709	0.509	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	252500841	TWINAISCSFRZKJ-SKUMYXODSA-N	323.288	0.684	50	40	DCGB	
COc1ccc(C=NNC(=O)c2ccc(=O)[nH]n2)cc1OC	13109162	LASRHNOCVWGWFR-UHFFFAOYSA-N	302.290	0.551	50	40	DCGB	
CCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O	100551200	NJSBDDPIWSYBEP-UHFFFAOYSA-N	303.318	0.898	50	40	DCGB	
CS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)c1ccco1	12605859	NNCLCIFVIRLBGE-UHFFFAOYSA-N	323.330	0.726	50	40	DCGB	
O=CNNC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1	217953996	YCEXOMPVLPTCIP-STQMWFEESA-N	318.333	0.164	50	40	DCGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1	3059943	PAUFJBQBTRPPJG-GZTJUZNOSA-N	305.334	0.464	50	40	DCGB	
O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1cccc([N+](=O)[O-])c1	1947265	BAPIXXIVCMZLIG-WLRTZDKTSA-N	319.237	0.245	50	40	DCGB	
O=C(O)[C@H]1[C@H](Br)[C@H](Br)[C@@H]1C(=O)O	1708828	ZDVZNQUAYWNJPX-AJSXGEPRSA-N	301.918	0.929	50	40	DCGB	
Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)C(N)=O)c2C)cc1	3546606	KJLJWWHPWZTYNO-QGMBQPNBSA-N	313.361	0.792	50	40	DCGB	
O=S1(=O)C[C@H]2N=C3SC[C@H](CBr)N3[C@H]2C1	27988190	NBYCMMSIMWPABP-XVMARJQXSA-N	311.226	0.334	50	40	DCGB	
O=C(O)CCC(=O)NNC(=O)CCC(=O)Nc1ccccc1	1895012	YQXVHWYAFSNMQB-UHFFFAOYSA-N	307.306	0.418	50	40	DCGB	
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1Cl	94480	WUFHHQJPWJMJRX-VIZOYTHASA-N	321.724	0.195	50	40	DCGB	
Cn1c(=O)[nH]c(=O)c2c1nc([N+](=O)[O-])n2CCCCCl	2347251	FKICXXBRTSGVQZ-UHFFFAOYSA-N	301.690	0.351	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1	59459640	JZUVOXACJSYUCE-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C(C#N)=C(N)N2	409087509	UOYLHLGOOISGBS-NSHDSACASA-N	309.329	0.335	50	40	DCGB	
CCC(=O)NNC(=O)CCC(=O)N1CCc2ccccc2C1	4696022	ZZHLJEWVQDYDFJ-UHFFFAOYSA-N	303.362	0.909	50	40	DCGB	
Cc1c(C(=O)NNC(=O)CCS(C)(=O)=O)oc2ccccc12	44936854	CWGSHRSWEYITTI-UHFFFAOYSA-N	324.358	0.937	50	40	DCGB	
O=C1OC(=O)[C@H]2[C@@H]1C1C=C3CCCCC32[C@H]2C(=O)OC(=O)[C@H]12	101045272	CTMNMKNVTBAOON-NOOVYSNRSA-N	302.282	0.748	50	40	DCGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2)n1	7386781	OCSMUQYMUJVHMM-UHFFFAOYSA-N	308.363	0.510	50	40	DCGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	59459776	VOPWKYONVRUDMO-OQLLNIDSSA-N	322.321	0.922	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1	1881681	MFQXMBGRKAHVOD-AWNIVKPZSA-N	306.307	0.721	50	40	DCGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2nnc(N)s2)cc1	100507439	BHVIKNAYHRVACS-NVNXTCNLSA-N	304.379	0.879	50	40	DCGB	
CC(=O)NNC(=O)CSc1nnc(C)n1C[C@@H]1CCCO1	421006	UXXVWLSRQVMEGT-JTQLQIEISA-N	313.383	0.025	50	40	DCGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@H]([C@@H]12)[C@@H]1[C@@H]3N1S(=O)(=O)c1ccccc1	104073662	BCNVYFZUCFQHMB-PCEBWVJKSA-N	319.338	0.394	50	40	DCGB	
CCOC(=O)CCC(=O)NNC(=O)Cc1ccc(OC)cc1	4551484	OTESJABTVZFFMI-UHFFFAOYSA-N	308.334	0.728	50	40	DCGB	
O=C(CCO)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	95945612	LQVCZBFRPZVQLK-UHFFFAOYSA-N	322.321	0.338	50	40	DCGB	
CCN1C(=O)/C(=C\NNC(=O)c2ccncc2)C(O)=NC1=S	34210498	FTBAUOCPTXZSRR-CLFYSBASSA-N	319.346	0.303	50	40	DCGB	
NC(=O)N/N=C/C(Br)=C(/Br)C(=O)O	104333415	LAXIMGVCGOEVAN-NNWRONHCSA-N	314.921	0.727	50	40	DCGB	
O=C(O)CCC(=O)NNC(=O)c1ccc(Br)o1	2110945	ZCNILPGMWYGQNL-UHFFFAOYSA-N	305.084	0.668	50	40	DCGB	
CCOC(=O)/C=C/C(=O)NNC(=O)[C@H]1COc2ccccc2O1	6881534	QVHBQLHXNSLTLL-ABZNLYFFSA-N	320.301	0.093	50	40	DCGB	
C=CCNC(=S)NNC(=O)c1n[nH]c(=O)c2ccccc12	5267917	BAHIRRZGHHFEMT-UHFFFAOYSA-N	303.347	0.218	50	40	DCGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)ccc1O	59515576	MJIXNFRLGGUVJW-CXUHLZMHSA-N	305.334	0.910	50	40	DCGB	
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr	35604972	DYOYSHAEZJUKBT-QMMMGPOBSA-N	321.171	0.052	50	40	DCGB	
C/C(COc1ccccc1)=N\NC(=O)c1c[nH]c(=O)[nH]c1=O	5288873	GRQRJWONPOGZTB-RQZCQDPDSA-N	302.290	0.248	50	40	DCGB	
CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(N(C)C)cc1	100253849	WICKXWLROFVQRI-WFSQQTBHSA-N	301.350	0.715	50	40	DCGB	
S=C1NC[C@@H](CI)[N+]12CCOCC2	321331	NKIPNKAKVXZRQI-SSDOTTSWSA-O	313.184	0.525	50	40	DCGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1C(=O)NN)C(=O)C=[N+]=[N-]	100705895	HUWPBLWVKIICNU-TVQRCGJNSA-N	317.349	0.304	50	40	DCGB	
O=C(NCc1ccncc1)NNC(=O)c1ccc2c(c1)OCO2	12775497	GVXOVJIGPHLFJZ-UHFFFAOYSA-N	314.301	0.955	50	40	DCGB	
CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	28619299	JPLDZUDFVBXUNW-SECBINFHSA-N	300.318	0.520	50	40	DCGB	
Nc1nccnc1C(=O)NNC(=O)COc1ccccc1Cl	14044812	OJJFRRWLYOKBDG-UHFFFAOYSA-N	321.724	0.552	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1OC	3061990	XGHYBPNFBDYGMZ-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
O=CNNC(=O)[C@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1	217953913	YCEXOMPVLPTCIP-QWHCGFSZSA-N	318.333	0.164	50	40	DCGB	
CCc1ccc(OCC(=O)NN[C@@H]2CCS(=O)(=O)C2)cc1	3181950	PZECSORFJSQISH-GFCCVEGCSA-N	312.391	0.436	50	40	DCGB	
CCOC(=O)/C(=C\NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)=O	15188709	YBXYQFPFLCJLTC-WQLSENKSSA-N	321.289	0.865	50	40	DCGB	
NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1	264761	WRLHKKADBNKSNI-UXBLZVDNSA-N	315.285	0.769	50	40	DCGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cc[nH]n1	4555742	XCQNNDOQWCTGOQ-CYBMUJFWSA-N	318.289	0.531	50	40	DCGB	
NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	4891532	TTYDIURKMBEDOW-FLIBITNWSA-N	316.273	0.949	50	40	DCGB	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C1CC1	65491522	GRDKTKUYOVEGKS-LBPRGKRZSA-N	317.345	0.554	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O	4651640	VCLCYBCASZVNOJ-RGOKHQFPSA-N	324.358	0.696	50	40	DCGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1cnccn1	100752626	TWUKKGPWDFLBFJ-VCHYOVAHSA-N	301.306	0.882	50	40	DCGB	
Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O	102197852	VCLCYBCASZVNOJ-QEYWKRMJSA-N	324.358	0.696	50	40	DCGB	
O=S1(=O)C[C@H](OCCBr)[C@@H](Br)C1	3163139	OKSOBYHGXSRHHO-WDSKDSINSA-N	322.018	0.958	50	40	DCGB	
CCOC(=O)[C@@H](N)CCSSCC[C@H](N)C(=O)OCC	5014697	HZSUCHDNRMUJGU-UWVGGRQHSA-N	324.468	0.929	50	40	DCGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(=O)[nH]c1	16043584	AZXQFQIUNBICTN-UHFFFAOYSA-N	317.301	0.224	50	40	DCGB	
CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	58883229	LMTZNAKZSAXTLA-FNMPFJKNSA-N	319.361	0.831	50	40	DCGB	
O=C(O)[C@H]1[C@H]2C[C@H]3[C@H](NC(=O)[C@H]31)[C@H]2I	950757515	MUPLXNKKZNASQI-MAFUWASYSA-N	307.087	0.255	50	40	DCGB	
C[C@@H](Cl)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	495092	BTKIMKCCAXRYLF-SCSAIBSYSA-N	321.562	0.813	50	40	DCGB	
C[C@@H](O)CCC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O	510018	MVDYHLLNMWSHLF-ZYHUDNBSSA-N	305.334	0.100	50	40	DCGB	
Cc1no[n+]([O-])c1COc1ccccc1/C=C(\C#N)C(N)=O	4557728	MXJLSMOWEKVLCG-IZZDOVSWSA-N	300.274	0.588	50	40	DCGB	
CCOC(=O)N/N=C\C1=NN(C(=O)OCC)[S@](=O)[C@@H]1C	31894825	PPPFFCDWJZPICM-KDUVLJKTSA-N	304.328	0.599	50	40	DCGB	
C=CCNC(=S)NNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C	41961811	XCVMHXZBBVEJOE-NSHDSACASA-N	324.406	0.715	50	40	DCGB	
NC(=O)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	70192453	OBIYKRYWBAZBIJ-VIZOYTHASA-N	308.319	0.596	50	40	DCGB	
CC/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)N=C1O	5091330	NZYAHXGWGNNRGR-UHFFFAOYSA-N	318.289	0.497	50	40	DCGB	
N#CCC(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1	96191232	QIWFDYYIUAZFIZ-UHFFFAOYSA-N	309.325	0.984	50	40	DCGB	
N#CCC(=O)NN[C@@H]1CC(c2ccccc2)=NN1C(=O)CC#N	48180	LCESFHDRHGSYML-ZDUSSCGKSA-N	310.317	0.397	50	40	DCGB	
O=C(CNC(=O)NCc1ccco1)N/N=C\c1ccccc1O	17109491	DTKPNJZJSVEINZ-LSCVHKIXSA-N	316.317	0.935	50	40	DCGB	
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccccn1	7652980	QRHCRGUWTRONOP-UHFFFAOYSA-N	312.329	0.202	50	40	DCGB	
COCCOc1ccc(S(=O)(=O)NNC(=O)OC)cc1	26528817	YGNGBDKLVMGGQA-UHFFFAOYSA-N	304.324	0.261	50	40	DCGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1	3009249	NCTJAZZZFHOJTQ-YFEUJDIGSA-N	319.361	0.831	50	40	DCGB	
Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1CCc1ccccc1	11566794	XGPJETCGDYJEMJ-UHFFFAOYSA-N	307.737	0.783	50	40	DCGB	
N#CC1=C(OCCO)N[C@@H](N)C(C#N)=C1C(=O)c1ccccc1	19624990	AROTUUFUMKYMPG-OAHLLOKOSA-N	310.313	0.322	50	40	DCGB	
O=S1(=O)C[C@@H](Cl)[C@H](S(=O)(=O)Oc2ccccc2)C1	5684349	RNKHZWKCHZWTDD-NXEZZACHSA-N	310.780	0.800	50	40	DCGB	
Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCCl	10049502	YMKNWTAVXVRGTF-UHFFFAOYSA-N	309.757	0.624	50	40	DCGB	
N#CC1=C(N)O[C@@]2(N3CCOCC3)CCCC[C@H]2C1(C#N)C#N	19931935	VTMMTIMMPSNWFI-BBRMVZONSA-N	313.361	0.963	50	40	DCGB	
Cc1cc(C(=O)NNC(=O)CCCC(=O)O)ccc1[N+](=O)[O-]	2784264	IRHYSYWETJVCMF-UHFFFAOYSA-N	309.278	0.919	50	40	DCGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	6890165	IOBQVFVVDBZPOU-MHWRWJLKSA-N	318.358	0.510	50	40	DCGB	
Nc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n[nH]c1=O	13637823	RUPRMZOLPZRUEB-MKMNVTDBSA-N	302.250	0.024	50	40	DCGB	
O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)c1ccncc1	102863362	PREWWVZXRXSHTH-UKTHLTGXSA-N	308.297	0.627	50	40	DCGB	
COc1ccc(C(=O)N/N=c2/c(=O)c(=O)c3ccccc23)cc1	3169451	PMYKONMPVKZYFT-NBVRZTHBSA-N	308.293	0.690	50	40	DCGB	
C[C@H](C(=O)NN)S(=O)(=O)c1ccc(Br)cc1	95929488	ATPKXYKKBINKEQ-ZCFIWIBFSA-N	307.169	0.601	50	40	DCGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccncc1	4575882	DKWCXMNTWFEMOD-CYBMUJFWSA-N	310.313	0.648	50	40	DCGB	
Cc1ccnc(N/C=C(/NC(=O)c2ccccc2)C(=O)NN)n1	100146857	AXVLVMPGJSUWQZ-FMIVXFBMSA-N	312.333	0.458	50	40	DCGB	
O=C(NNC(=O)C1CC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	29509646	ZSBXACCTNKXGDQ-ZDUSSCGKSA-N	317.345	0.975	50	40	DCGB	
CC(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O	23109240	NEUVMUVSZQBLIH-UHFFFAOYSA-N	303.293	0.817	50	40	DCGB	
CCC(=O)NNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1	96014207	FTODFTLDWFGZIB-UHFFFAOYSA-N	318.333	0.898	50	40	DCGB	
O=C1NC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@H](Br)[C@@H]1Br	103114369	AHULPADMYFKORI-XJQRDMAOSA-N	324.956	0.183	50	40	DCGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1	7784120	ISCUJVROTUJJMG-JSJZUPIVSA-N	305.334	0.838	50	40	DCGB	
Cc1cnn([C@@H](C)C(=O)NNC(=S)Nc2cn(C)nc2C)c1	2792601	VJWHLSMFRUREEO-JTQLQIEISA-N	321.410	0.812	50	40	DCGB	
C=CCNC(=O)CC(=O)N/N=C/c1cc(OC)ccc1OC	3062071	MGDRSQGPKFUHDC-LICLKQGHSA-N	305.334	0.846	50	40	DCGB	
COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)c1ccco1	4893150	TUDPHOXMLPYINP-UHFFFAOYSA-N	317.301	0.996	50	40	DCGB	
CCc1n[nH]c(SCC(=O)NNC(=O)c2ccccc2)n1	7604867	GUIGUIFPQZHGHF-UHFFFAOYSA-N	305.363	0.920	50	40	DCGB	
CC(=O)NNC(=O)CN1C(=O)[C@H](C)Oc2ccc(Cl)cc21	19988193	PICUKLZARNLQRD-ZETCQYMHSA-N	311.725	0.621	50	40	DCGB	
COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1CCCC1	40460222	KOHDGHBERYKAFY-RQZCQDPDSA-N	320.349	0.699	50	40	DCGB	
O=C(O)CN1C(=O)/C(=N/NC(=O)c2cccnc2)c2ccccc21	19830993	GWVMPUCWEPBHDB-NBVRZTHBSA-N	324.296	0.647	50	40	DCGB	
C[C@@H](Cl)CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C	158227	MUYLFHUEKBSMBP-MRVPVSSYSA-N	311.773	0.271	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C\c1ccccc1C(=O)O	4904681	SQGNABBMMWWQLY-YVLHZVERSA-N	321.333	0.378	50	40	DCGB	
Cc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1[N+](=O)[O-]	408719588	GUZZTWCJCCBVOX-OQLLNIDSSA-N	306.322	0.686	50	40	DCGB	
COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)C(C)C	13360397	POCJHLVUJPKHLI-UHFFFAOYSA-N	316.335	0.359	50	40	DCGB	
CCc1noc(CCCC(=O)NNC(=O)c2ccccn2)n1	44973539	NRMXOMMHCYCBBP-UHFFFAOYSA-N	303.322	0.811	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1	5511573	AACBGJIVUWBQJR-LICLKQGHSA-N	321.333	0.076	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1O	100297357	SCQQQXGILYLHBK-AXLKIAQESA-N	318.333	0.753	50	40	DCGB	
Nc1nonc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	1435570	IGAWAKPIKQHSDD-YIXHJXPBSA-N	310.657	0.977	50	40	DCGB	
O=C(Cc1ccccc1)NC(=S)NNC(=O)c1ccncc1	6885060	ODEWUPNOBSRCBF-UHFFFAOYSA-N	314.370	0.960	50	40	DCGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)C(N)=O	3538356	RRJDVNRTZOPXPQ-REZTVBANSA-N	319.752	0.829	50	40	DCGB	
N/C(CSc1cccc[n+]1[O-])=N\NC(=O)c1ccncc1	5277771	QZRMMTZXBCOOQL-UHFFFAOYSA-N	303.347	0.509	50	40	DCGB	
CNC(=O)/C(C#N)=C1\S[C@H](CCO)C(=O)N1c1ccccc1	15401575	IEMMAGJWWXAPBZ-QJMZJAKPSA-N	317.370	0.999	50	40	DCGB	
C=CCNC(=S)NNC(=O)[C@H](NC(=O)c1ccco1)C(C)C	41961814	XCVMHXZBBVEJOE-LLVKDONJSA-N	324.406	0.715	50	40	DCGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1c(O)[nH]c(=O)[nH]c1=O	100785494	PNHHBNMGRWDKIM-UBKPWBPPSA-N	322.708	0.576	50	40	DCGB	
CC(=O)NNC(=S)N/C=C/c1nc2ccccc2nc1O	104303804	JRBGCLNYFSFHBL-VOTSOKGWSA-N	303.347	0.821	50	40	DCGB	
CCn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2cnn(CC)c2F)n1	252481430	CLWOASFIPUBNKW-LHHJGKSTSA-N	323.288	0.931	50	40	DCGB	
CCOC(=O)/C=C/C(=O)NNC(=O)Cc1ccc(OC)cc1	1794369	VDGFTICXHRPERL-CMDGGOBGSA-N	306.318	0.504	50	40	DCGB	
NNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1	225499748	PDLZDGWZVXIOKP-UHFFFAOYSA-N	319.386	0.811	50	40	DCGB	
Cc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c(C)c1	4905765	HAFSQDUUTNKFNC-UHFFFAOYSA-N	319.361	0.452	50	40	DCGB	
C/C(=N\NC(=O)[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1	5024044	OYYTXOPZCMNRHD-RGZVIEDOSA-N	304.306	0.961	50	40	DCGB	
NNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1	16428926	AOOHIUKFFUCVBI-UHFFFAOYSA-N	313.379	0.230	50	40	DCGB	
N#C/C(=C\N1CCC(C(N)=O)CC1)C(=O)NCc1ccccc1	30791167	QZQKXMJXJGUGJV-NTCAYCPXSA-N	312.373	0.908	50	40	DCGB	
C=CCN1C(=O)/C(=C\NNC(=O)CCCC)C(=O)NC1=S	2262331	FRGRYWFGHHBBIH-HJWRWDBZSA-N	310.379	0.111	50	40	DCGB	
O=C(CCl)NNC(=O)c1cccc(OC(=O)CCl)c1	3274098	TVJDPIYKXZFOBZ-UHFFFAOYSA-N	305.117	0.831	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccncc1	100943780	PNYQQNXBCVBDAN-YFKTTZPYSA-N	301.302	0.366	50	40	DCGB	
O=C(NC(=S)NNC(=O)c1ccccc1O)c1cccnc1	2316521	LKLOFDVJENKKDX-UHFFFAOYSA-N	316.342	0.737	50	40	DCGB	
O=C(/C=C/c1ccccc1)NNC(=O)CCN1CCOCC1	25326998	WRHWDMUPSGZFKK-VOTSOKGWSA-N	303.362	0.570	50	40	DCGB	
O=C1OC(=O)[C@@H]2[C@@H]1C1C=C3CCCCC32[C@H]2C(=O)OC(=O)[C@H]12	101045269	CTMNMKNVTBAOON-CXVZTTHOSA-N	302.282	0.748	50	40	DCGB	
O=S1(=O)C[C@H](Cl)[C@H](S(=O)(=O)Oc2ccccc2)C1	5684347	RNKHZWKCHZWTDD-VHSXEESVSA-N	310.780	0.800	50	40	DCGB	
Cc1cccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1	4942677	FTWWSGUTNADWGA-GFCCVEGCSA-N	323.356	0.644	50	40	DCGB	
CCNC(=S)NNC(=O)c1nn(C)c(C)c1Br	2793672	WTIRDSVMKHMDEW-UHFFFAOYSA-N	320.216	0.620	50	40	DCGB	
CCNC(=S)NNC(=O)c1ccc(NC(=O)CC#N)cc1	6558462	OSFRVGNDCUOQSW-UHFFFAOYSA-N	305.363	0.668	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCC(C)C)c1	4699405	NXRAWKLOKOAGKP-RQZCQDPDSA-N	307.350	0.926	50	40	DCGB	
C[C@@]1(C(=O)NNC(=O)c2ccc(=O)oc2)C[C@@H]1Br	2293074	XMYPLAYZCHLORV-WRWORJQWSA-N	315.123	0.574	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1NCCO	96445803	VFIFUPSAQLPPON-BENRWUELSA-N	303.318	0.573	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1cc([N+](=O)[O-])cn1	252507289	WGBDRFYLPAFVMB-YIXHJXPBSA-N	309.261	0.123	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1O	4348925	JEZDCPHWGIMNMF-DTVLGXAZSA-N	316.313	0.676	50	40	DCGB	
O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1cccnc1	12848942	NZSOAGQEIXNDSK-UHFFFAOYSA-N	308.297	0.998	50	40	DCGB	
Cc1nn(C)cc1[C@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O	9184228	ADEAIRIXRHCDCA-GFCCVEGCSA-N	314.301	0.392	50	40	DCGB	
CC(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	45883252	YSRBGMUMRCBDBR-UHFFFAOYSA-N	310.253	0.761	50	40	DCGB	
O=S1(=O)C[C@H](Cl)[C@H](N[C@H]2Nc3ccccc3NO2)C1	575422239	UCYHATZOCRODGM-WHGOUJPWSA-N	303.771	0.733	50	40	DCGB	
CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(B(O)O)cc1	169747732	JNPIUQRWKGDLQS-UHFFFAOYSA-N	322.170	0.011	50	40	DCGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)cc1	349689	HFECWUMFWFXCQY-GFCCVEGCSA-N	324.340	0.611	50	40	DCGB	
C[C@H](O)CCC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O	510017	MVDYHLLNMWSHLF-CMPLNLGQSA-N	305.334	0.100	50	40	DCGB	
COc1ccccc1C(=O)NCC(=O)N/N=C/c1ccncc1	3035712	YRHGCRGRZFGEMU-VXLYETTFSA-N	312.329	0.970	50	40	DCGB	
O=C(NC[C@H]1CCS(=O)(=O)C1)OC[C@@H](Cl)CCl	59568605	MMKDGSHIPHMZSK-SFYZADRCSA-N	304.195	0.994	50	40	DCGB	
COc1cc(/C=N/NC(=O)C[N+](C)(C)C)cc(OC)c1OC	1637934	BQQTYFYHEDLIFO-CXUHLZMHSA-O	310.374	0.869	50	40	DCGB	
N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccco2)n1	3043400	HWPXWXJGYPDWED-RQZCQDPDSA-N	321.300	0.955	50	40	DCGB	
Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)oc2ccccc12	9749452	ZLEFEJYKAMWUFZ-UHFFFAOYSA-N	301.302	0.781	50	40	DCGB	
O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccco1	3200156	NFQJOIMJWOGKLD-UHFFFAOYSA-N	313.269	0.337	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccco1	409386196	LNAOANQDULCQCY-TVNAWZMTSA-N	306.274	0.085	50	40	DCGB	
Nc1nc(C(=O)N/N=C/c2ccc(Br)cc2)n[nH]1	117424	SATSWLKMHOBZTF-WLRTZDKTSA-N	309.127	0.913	50	40	DCGB	
COc1ccc(NC(=O)c2cc(C(=O)NN)n(C)n2)cc1OC	375119	NMDVYPOLECDHOM-UHFFFAOYSA-N	319.321	0.293	50	40	DCGB	
COc1c([C@@H]2ON=C(C(=O)NN)[C@H]2C)cc2c(c1OC)OCO2	15082571	GFKLQWQCYNWQJV-LHLIQPBNSA-N	323.305	0.486	50	40	DCGB	
COc1ccc(C(=O)N/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1	198781	ZLVDIMXFJIECRL-VIZOYTHASA-N	302.290	0.144	50	40	DCGB	
Cc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1	12849807	JBHYZUKLRCJTTN-UHFFFAOYSA-N	322.390	0.818	50	40	DCGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	408973057	YDBNHEIEBYRDTB-KOLYXTFFSA-N	322.321	0.968	50	40	DCGB	
Cc1cc(=O)n2ncnc2n1CC(=O)N/N=C/c1cccs1	2581627	PDZYNEYDYSMOSZ-GIDUJCDVSA-N	316.346	0.411	50	40	DCGB	
COC1=C(OC)[C@@H]([C@H](CBr)OC(C)=O)OC1=O	3843045	JAIZJDIWZLUPEB-NKWVEPMBSA-N	309.112	0.743	50	40	DCGB	biogenic
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)C1CC1	97574868	UZWYRZCEJZLJPJ-QWRGUYRKSA-N	307.350	0.109	50	40	DCGB	
CCOc1ccc(/C=N\NC(=O)Cc2nnc(N)s2)cc1O	33909068	IGXBHOWEOXILSD-CHHVJCJISA-N	321.362	0.917	50	40	DCGB	
CC(=O)NCCc1ccc(S(=O)(=O)NCCCl)cc1	2190401	VRKUGMNLWFWAOY-UHFFFAOYSA-N	304.799	0.882	50	40	DCGB	
COc1cccc(C(=O)NCC(=O)N/N=C/c2cccnc2)c1	2269649	FQTFGIVXEJLBQP-VXLYETTFSA-N	312.329	0.970	50	40	DCGB	
COc1cc([C@@H]2ON=C(C(=O)NN)[C@H]2C)c(OC)c2c1OCO2	12417213	XIKBMHCYNKOVMP-LHLIQPBNSA-N	323.305	0.486	50	40	DCGB	
O=C1C[C@@H](NNC(=O)c2ccc(Br)cc2)C(=O)N1	96295541	ZICLLCPCTXWNPD-MRVPVSSYSA-N	312.123	0.099	50	40	DCGB	
CS(=O)(=O)NNC(=O)COc1ccc(Cl)cc1Cl	2582100	NOWMKZANZVZPDJ-UHFFFAOYSA-N	313.162	0.953	50	40	DCGB	
O=c1ccn([C@H]2CC[C@@H](CI)O2)c(=O)[nH]1	95627598	MUDOLQZOXNAPNJ-POYBYMJQSA-N	322.102	0.649	50	40	DCGB	
CO[C@@H]1CS(=O)(=O)[C@@H](Br)[C@H]1Br	245204262	JNWCQYXPAKQRIG-MROZADKFSA-N	307.991	0.914	50	40	DCGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N(C)C	6509279	XVWDJFFGIDJOTQ-LZYBPNLTSA-N	308.338	0.555	50	40	DCGB	
CCOCCS(=O)(=O)NNC(=O)c1c[nH]c2ccccc12	69699674	IVVRMHKFIMULNX-UHFFFAOYSA-N	311.363	0.769	50	40	DCGB	
COc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1	20060438	VVKKDTZDTALRCS-UHFFFAOYSA-N	313.379	0.973	50	40	DCGB	
C[N+](C)(C)CC(=O)N/N=C\c1cccc(S(=O)(=O)O)c1	31937766	QNHVKBQTUCEFHH-JYRVWZFOSA-O	300.360	0.090	50	40	DCGB	
CN1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S	34210513	JDJMGABLTWIOCC-VURMDHGXSA-N	320.330	0.224	50	40	DCGB	
CC1(C)[C@]2(C(N)=O)CC[C@]1(CBr)C(=O)OC2=O	103708039	SOIIWGPTVRVIRP-QWRGUYRKSA-N	304.140	0.743	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	59459657	AHKRHOKZXRLYDM-MHWRWJLKSA-N	322.321	0.588	50	40	DCGB	
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/C=C\c1ccccc1	5009404	UEVRNNWTGBJCBE-VKZSLHGGSA-N	313.317	0.206	50	40	DCGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccccc1C	18163231	MGQVKBNIZIXTAT-RGEXLXHISA-N	312.329	0.964	50	40	DCGB	
C=CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)c(O)c1	20248804	DCDSDRZHJYDWIQ-GZTJUZNOSA-N	319.361	0.739	50	40	DCGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1	26967094	WANBHHVBJBKPCQ-GFCCVEGCSA-N	301.346	0.905	50	40	DCGB	
CCc1sc(C(=O)NNC(=O)CN2CCOCC2)cc1C	71914534	YAHUIUHZGAWKBO-UHFFFAOYSA-N	311.407	0.712	50	40	DCGB	
O=C1NC(=O)[C@H]2[C@H]1[C@H]1O[C@H]2[C@@H](Br)[C@H]1Br	103114366	AHULPADMYFKORI-ADOSBGCESA-N	324.956	0.183	50	40	DCGB	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1F	585140721	JALOLQNMVCYERE-UHFFFAOYSA-N	318.326	0.880	50	40	DCGB	
CCOC(=O)NC(=O)/C(C#N)=C/N[C@H](CO)Cc1ccccc1	100219620	YMKQBLUGXVVXKB-UELRPHRMSA-N	317.345	0.860	50	40	DCGB	
Cc1cccc(OCC(=O)NNC(=O)c2nccnc2N)c1	22241064	XMDYBXICALNEEP-UHFFFAOYSA-N	301.306	0.207	50	40	DCGB	
CN(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	9596659	KMEQIVADGAWGQA-UHFFFAOYSA-N	311.407	0.680	50	40	DCGB	
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccccc1	409381342	FJRDPFMPKMPYCF-YRORDHRNSA-N	316.313	0.492	50	40	DCGB	
COc1cccc(/C=N/NC(=O)CN2CCOCC2)c1OC	20248275	WYJLSAHMEGHQAG-MHWRWJLKSA-N	307.350	0.486	50	40	DCGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)COC3)n1	64485574	IZNVNLDUUWZGEH-UHFFFAOYSA-N	314.345	0.991	50	40	DCGB	
CO[C@@H]1CS(=O)(=O)[C@@H](Br)[C@@H]1Br	3913888	JNWCQYXPAKQRIG-UOWFLXDJSA-N	307.991	0.914	50	40	DCGB	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cc(Cl)c[nH]1	9691051	XCHMYOQPWLNLDI-UHFFFAOYSA-N	311.685	0.990	50	40	DCGB	
O=S(=O)(CCCCCl)N1CC[C@@H](CN2CCOCC2)C1	95946069	NEFPXOLZXNLQBW-ZDUSSCGKSA-N	324.874	0.989	50	40	DCGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(C(=O)O)cc1	3080099	YYNWLKXBUAICQN-CAOOACKPSA-N	315.285	0.858	50	40	DCGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1	7784117	ISCUJVROTUJJMG-VCBXAZPMSA-N	305.334	0.838	50	40	DCGB	
Cc1ncncc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	44966749	RLJDGHFFFLDJSM-UHFFFAOYSA-N	300.274	0.589	50	40	DCGB	
Cc1c(C(=O)NN=C2CCCCCC2)nnn1-c1nonc1N	5008388	HTZJEFKDHKNEGY-UHFFFAOYSA-N	318.341	0.981	50	40	DCGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)CCN	72427544	QFCFGZRAKGDTRC-UHFFFAOYSA-N	304.306	0.920	50	40	DCGB	
CCc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)[nH]1	7604763	LBERDCICKMRNDF-UHFFFAOYSA-N	319.390	0.849	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1[N+](=O)[O-]	5379621	PDRRKJHCZYQMEC-OVCLIPMQSA-N	322.321	0.968	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1O	100818004	JEZDCPHWGIMNMF-VDUILEQBSA-N	316.313	0.676	50	40	DCGB	
O=C(CSc1ccccc1F)NNC(=O)c1ccc(=O)[nH]n1	5269842	MNHVUVDIRGKIFY-UHFFFAOYSA-N	322.321	0.462	50	40	DCGB	
CC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)OCCOCCCl	1597717	XBMKSDHZNPOWSA-BDAKNGLRSA-N	310.730	0.668	50	40	DCGB	
CCCn1nnnc1SCC(=O)NNC(=O)c1ccco1	1357471	WUYCEPIQDRIMRU-UHFFFAOYSA-N	310.339	0.229	50	40	DCGB	
COc1ccnc(NNC(=O)c2cccc(S(C)(=O)=O)c2)n1	46363840	WWVUEVLZDLKKHB-UHFFFAOYSA-N	322.346	0.646	50	40	DCGB	
COC(=O)NNC(=S)NC(=O)/C=C/c1ccccc1OC	4734409	XLWKSBOFXZIIMF-BQYQJAHWSA-N	309.347	0.970	50	40	DCGB	
O=C(CNC(=O)c1ccncc1)N/N=C1\C(=O)Nc2ccccc21	5731653	JGXIBQVRTBXGML-UHFFFAOYSA-N	323.312	0.284	50	40	DCGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1O	3080092	YYAXDFBWJXLXOZ-CAOOACKPSA-N	317.301	0.874	50	40	DCGB	
CCCn1c(O)c(C(=O)NNC(C)=O)c(=O)c2ccccc21	6493389	PANAOAGYDMWATR-UHFFFAOYSA-N	303.318	0.898	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1c(OC)cccc1OC	6579942	FPMWMMNAOBYWLH-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
O=C([C@@H]1CCCN1C(=O)CBr)N1CCOCC1	72207507	PFYBIGLYTNYVGH-VIFPVBQESA-N	305.172	0.231	50	40	DCGB	
O=C(NNC(=O)c1ccc[nH]c1=O)c1cc2c(s1)CCC2	12794267	WBACFAUIBBGFEW-UHFFFAOYSA-N	303.343	1.000	50	40	DCGB	
CCc1nnc(NNC(=O)Cc2ccc(OC)cc2)nc1O	28561599	NEZKPUSZWPEVIH-UHFFFAOYSA-N	303.322	0.834	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1OC	3059232	DUQJXDQXCZHIBM-MHWRWJLKSA-N	305.334	0.776	50	40	DCGB	
O=C(O)[C@H]1[C@H](Br)[C@H](Br)[C@H]1C(=O)O	5029330	ZDVZNQUAYWNJPX-DUHBMQHGSA-N	301.918	0.929	50	40	DCGB	
CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	16593864	GMSPOWNJVWSCBV-UHFFFAOYSA-N	313.379	0.498	50	40	DCGB	
Cn1ncc2c(NNC(=O)c3cc(O)cc(O)c3)ncnc21	20661899	SAAPCGSPDAALGZ-UHFFFAOYSA-N	300.278	0.531	50	40	DCGB	
Cc1cccc(C)c1OCC(=O)NNS(=O)(=O)c1cn[nH]c1	72311779	ZKZDHHXXPHSZMR-UHFFFAOYSA-N	324.362	0.415	50	40	DCGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1O	100818002	JEZDCPHWGIMNMF-NGERZBJRSA-N	316.313	0.676	50	40	DCGB	
C/C(=N\NC(=O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1	13372109	OWIYTFHFQGNUHA-RVDMUPIBSA-N	306.322	0.767	50	40	DCGB	
O=C(NNC(=O)c1cccnc1O)c1ccc2c(c1)OCO2	12755778	LCSSLCWWWIJQTH-UHFFFAOYSA-N	301.258	0.591	50	40	DCGB	
CCCOCC(=O)NNC(=O)c1cc(Br)c[nH]1	58440509	KNJVJQFHCORJQW-UHFFFAOYSA-N	304.144	0.965	50	40	DCGB	
C=CCOC(=O)[C@H](N)CSSC[C@@H](N)C(=O)OCC=C	33671807	NXFWNJIOCGUEPY-NXEZZACHSA-N	320.436	0.481	50	40	DCGB	
Cn1cnc2c1c(=O)n(CCCBr)c(=O)n2C	13233654	GCEJJEYAPRULFS-UHFFFAOYSA-N	301.144	0.219	50	40	DCGB	in-vitro
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccco2)cc1	4893129	QJPAOZMAOHIZNQ-UHFFFAOYSA-N	303.274	0.688	50	40	DCGB	
O=C(CCl)N(CCCn1ccnc1)[C@H]1CCS(=O)(=O)C1	217383435	QWGGHNUFQOZOBS-NSHDSACASA-N	319.814	0.528	50	40	DCGB	
O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)[C@@H](O)c1ccccc1	4132133	AJBZCPZNAVRCKK-ACLQVGRQSA-N	324.314	0.710	50	40	DCGB	
Cc1ccc(S(=O)(=O)n2nnn(CCCl)c2=O)cc1	3046217	ANSSIMDCUKDOFO-UHFFFAOYSA-N	302.743	0.224	50	40	DCGB	biogenic
CCOC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O	44979431	HUZKQXYETDURGR-NSHDSACASA-N	321.333	0.774	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1OC	59146397	CXMGCWULQFPCPO-MHWRWJLKSA-N	307.350	0.486	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)c2ccncc2)nc2ccccc21	17410995	YBMCXIGDHDXKEN-UHFFFAOYSA-N	309.329	0.972	50	40	DCGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1cccnc1	533750	ATCMNCYWZKFBKD-ZDUSSCGKSA-N	310.313	0.648	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1Cl	16692552	REQMZUABDDPCGD-UHFFFAOYSA-N	321.786	0.349	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1O	59459652	KOGNXYSNMWPJMS-LICLKQGHSA-N	323.349	0.394	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(OC)c(OC)c1	3061987	VIUSNEWWOZEHTJ-LICLKQGHSA-N	323.349	0.307	50	40	DCGB	
C/C(=N\NC(N)=O)c1ccc2c(c1)OCCOCCOCCO2	5638655	FBWADVYZQYMJHM-GZTJUZNOSA-N	323.349	0.883	50	40	DCGB	
COc1cccc(/C=N\NC(=O)Cc2nnc(N)s2)c1O	13548945	JIYBJJYYGLLINL-NSIKDUERSA-N	307.335	0.527	50	40	DCGB	
O=C(COc1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	9476650	UUFXWSSYXDDVPQ-QWRGUYRKSA-N	303.767	0.586	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)Cc1ccc2c(c1)OCCO2	104849093	RGMZRDOHWVVWHQ-BENRWUELSA-N	316.313	0.869	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(N(C)C)cc1	59515339	VYPUCMAUQSQWRU-GZTJUZNOSA-N	306.366	0.355	50	40	DCGB	
N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1ccc(O)cc1	8994532	SYXXUBAZUUHBIF-SNVBAGLBSA-N	303.343	0.949	50	40	DCGB	
O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1ccco1	44950546	KVTFSBABODYEJI-UHFFFAOYSA-N	314.363	0.788	50	40	DCGB	
COc1ccc(CNC(=O)/C(C#N)=C\N2CCN(C)CC2)cc1	100676502	KRPYHNXZXWGHIK-SQFISAMPSA-N	314.389	0.966	50	40	DCGB	
COC(=O)C1=C(C)NC(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12	4517193	ORMOFXLCHVYAOO-INIZCTEOSA-N	311.297	0.587	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)s1	38169935	OCRDEAMLLVDZKT-WLRTZDKTSA-N	322.306	0.427	50	40	DCGB	
O=C(Cc1cn2ccsc2n1)NNC(=O)c1cccnc1O	12551292	PWVRGECSOZXOEF-UHFFFAOYSA-N	317.330	0.500	50	40	DCGB	
CC(=O)N1CN(C(C)=O)[C@H](OCCCl)[C@@H]1OCCCl	4680762	LXYITCAWFVWXOI-PHIMTYICSA-N	313.181	0.818	50	40	DCGB	
O=C1CCC(C(=O)NNc2c(F)c(F)cc(F)c2F)=NN1	7141284	XBSSBSFTEKCKEG-UHFFFAOYSA-N	304.203	0.952	50	40	DCGB	
COC(=O)C1(C(=O)OC)C[C@@H]2CC=C(C#N)O[C@@H]2N1C(C)=O	4267942	RMVZXFBXTYKDPS-ONGXEEELSA-N	308.290	0.093	50	40	DCGB	biogenic
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc2c(c1)OCO2	3166597	LCIPRUGNNRNAFZ-REZTVBANSA-N	315.285	0.775	50	40	DCGB	
NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl	6513915	JEUCORANRJALCB-UHFFFAOYSA-N	300.771	0.923	50	40	DCGB	
Cc1csc(=O)n1CC(=O)NNC(=O)c1cccc(O)c1	13081638	OQEJJLKMAXWDGX-UHFFFAOYSA-N	307.331	0.385	50	40	DCGB	
COC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	58423439	ULSPHVSHTLLSPH-NSHDSACASA-N	323.349	0.574	50	40	DCGB	
CC(=O)NNC(=O)Cn1c(C)nc2sc(C)c(C)c2c1=O	19988217	ILZHFHBOMZUOJB-UHFFFAOYSA-N	308.363	0.551	50	40	DCGB	
COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(C)cc21	223722312	AWPBXIIYFHLKQK-VKAVYKQESA-N	319.386	0.924	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)CC(=O)NCCOC)ccc1O	3062008	ZTZPFYCTGNZYQR-LICLKQGHSA-N	323.349	0.394	50	40	DCGB	
C/C(=N\NC(=O)CCC(=O)NN)c1ccc2c(c1)OCCO2	27986449	YDSBKKCCRJEGJK-RQZCQDPDSA-N	306.322	0.068	50	40	DCGB	
CCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1	3061999	LDFQQNDTKKOYCV-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
COc1cc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)ccc1O	100298799	BUQTUFZNEBEFLZ-XVBMGZJVSA-N	304.306	0.363	50	40	DCGB	
CCNC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	59503410	MBEPZJZTFJLFGU-LZYBPNLTSA-N	309.322	0.299	50	40	DCGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc[nH]c1=O	12984766	KIWZDWVFENBCJV-VIFPVBQESA-N	319.292	0.743	50	40	DCGB	
C/C(=N\NC(N)=O)[C@]1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-]	7787401	ARYJWMQJODUOCK-LIOBOASVSA-N	309.326	0.823	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1ccccc1C(=O)OC	47367567	NTJYBBFWIYYDCS-UHFFFAOYSA-N	302.308	0.413	50	40	DCGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1	59481	BHVIKNAYHRVACS-OVCLIPMQSA-N	304.379	0.879	50	40	DCGB	
C/C(=N/NC(=O)Cn1nnc(N)n1)c1ccc2ccccc2c1	548448	UTJPUKOYPVUNAE-YVLHZVERSA-N	309.333	0.949	50	40	DCGB	
NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	6883239	PINLYSHEVJVNEB-SECBINFHSA-N	301.343	0.216	50	40	DCGB	
O=C(CCC(=O)N/N=C/c1ccc[nH]1)N/N=C/c1ccc[nH]1	2052853	XYTSLSHKEOZPMM-BEQMOXJMSA-N	300.322	0.723	50	40	DCGB	
Cc1cccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1	4942676	FTWWSGUTNADWGA-LBPRGKRZSA-N	323.356	0.644	50	40	DCGB	
CC(C)NC(=S)NNC(=O)c1ccc(-n2cnnn2)cc1	25166937	NMBLFLCZQNOKRL-UHFFFAOYSA-N	305.367	0.180	50	40	DCGB	
CN1CCN(CCC(=O)NN=Cc2ccc(O)cc2O)CC1	254403335	PNIZVYJHBNOEAD-UHFFFAOYSA-N	306.366	0.185	50	40	DCGB	
O=C(N/N=C1/CCCc2nonc21)c1n[nH]c(=O)c2ccccc12	4815775	GOLTWFYPZRJGBA-YBEGLDIGSA-N	324.300	0.777	50	40	DCGB	
N#CC1=C[C@@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	4753915	QTJPZSFFVNEZHH-NWDGAFQWSA-N	310.266	0.051	50	40	DCGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1	3058085	CNBFDRGGYUHRIN-MHWRWJLKSA-N	305.334	0.792	50	40	DCGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@](C)(NC(C)=O)[C@@H]1C(=O)OCC	4267764	ANFYUXVVSXAVBI-HUBLWGQQSA-N	324.333	0.635	50	40	DCGB	
C#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1	101346998	GWROHZBOBFMTOJ-ATVHPVEESA-N	301.346	0.481	50	40	DCGB	
O=C1O[C@H]2[C@@H](I)[C@@H]3CC[C@@H]2[C@@H]1[C@H]3CO	100717023	REXUMYWXJZUFHW-MSKRCNKPSA-N	308.115	0.980	50	40	DCGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccco1	111500179	MJMYYAYXVLDCLB-CAOOACKPSA-N	315.285	0.775	50	40	DCGB	
CC(=O)NCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	27516704	FFFPLDNEQMVZBK-UHFFFAOYSA-N	318.255	0.994	50	40	DCGB	
CN1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S	34210503	VFKOKXRUZXHGAR-CLFYSBASSA-N	304.331	0.518	50	40	DCGB	
NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	103780	SWHCZIFXXIJZAU-VIFPVBQESA-N	317.798	0.731	50	40	DCGB	
CC(=O)N1CN(C(C)=O)[C@H](OCCCl)[C@H]1OCCCl	4680764	LXYITCAWFVWXOI-GHMZBOCLSA-N	313.181	0.818	50	40	DCGB	
N[C@@H](CCCCNC(=O)CI)C(=O)O	2565174	PEVDSQTZJOGTKZ-LURJTMIESA-N	314.123	0.120	50	40	DCGB	
Cn1ccc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)n1	225390375	MXNTWAMHMADCSV-GIDUJCDVSA-N	300.244	0.943	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3085685	JOSDAYVQOJDWDA-GGNJANJASA-N	320.305	0.340	50	40	DCGB	
COc1cccc2cc(C(=O)NNC(=O)CC#N)c(=O)oc12	3670942	SUURMIPZRPRUFD-UHFFFAOYSA-N	301.258	0.476	50	40	DCGB	
CCOC(=O)C[C@@](O)(C(=O)OCC)[C@@H](CC)C(=O)OC(C)=O	100044573	IGBODGYRGPXUKE-HZMBPMFUSA-N	318.322	0.350	50	40	DCGB	
O=C(N/N=C1/C(=O)N(CO)c2ccccc21)c1ccccc1O	100466596	UYLZBFBUVCYHIK-SAPNQHFASA-N	311.297	0.823	50	40	DCGB	
COc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1OC	95461221	HVOGHKRVLPVJFE-UHFFFAOYSA-N	323.349	0.836	50	40	DCGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(N)=O)C(=O)NC2=S)cc1	408753645	GZCBCGKTEGIBLM-JEHWNMSRSA-N	319.346	0.013	50	40	DCGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc1	33497541	BPJWPCPDPNVQOG-FPLPWBNLSA-N	305.290	0.437	50	40	DCGB	
O=C(N/N=C1\CCCc2nonc21)c1n[nH]c(=O)c2ccccc12	503772	GOLTWFYPZRJGBA-MHWRWJLKSA-N	324.300	0.777	50	40	DCGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1	59382173	JCURCWMHCPZBOE-XKYMITNMSA-N	318.377	0.498	50	40	DCGB	
NCCCCCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	575423141	YLTIVLACKCDWDD-NXEZZACHSA-N	311.835	0.209	50	40	DCGB	
Cc1ccc(C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cn1	1759634	ZNUQNXOOBKARIY-VGOFMYFVSA-N	309.303	0.994	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1	1922199	BWXCISDLJHZXFE-VXLYETTFSA-N	312.329	0.970	50	40	DCGB	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccnc1O	12794277	IICJGUBOKXJYKE-UHFFFAOYSA-N	305.265	0.766	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1	37868837	IWPQXVLIEQXDQL-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NN)cc1	39986080	LPXVMDOGZXMWBO-UHFFFAOYSA-N	301.368	0.086	50	40	DCGB	
C[C@@H]1CN(c2ccc(C(=O)NNC(=O)C3CC3)cn2)C[C@@H](C)O1	30018315	WTOOQTXDYMQNAE-GHMZBOCLSA-N	318.377	0.866	50	40	DCGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1O	32719995	BGCJRAIERDFOCW-CQSZACIVSA-N	314.297	0.993	50	40	DCGB	
O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)C1CC1	44870174	SRHXSXQCCBWKHY-UHFFFAOYSA-N	303.318	0.360	50	40	DCGB	
Cn1cc(C(=O)NNC(=O)N2CCC[C@@H](O)C2)c2ccccc21	9469595	CGQJXJKLOWIBRM-LLVKDONJSA-N	316.361	0.989	50	40	DCGB	
OC[C@@H]1O[C@@H](SSc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O	77319472	BRZSUUGAVYFRNR-OSUNSFLBSA-N	304.389	0.227	50	40	DCGB	in-vitro
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)C1CC1	15794189	UZWYRZCEJZLJPJ-PHIMTYICSA-N	307.350	0.109	50	40	DCGB	
O=C1NN=C(C(F)(F)F)/C1=C\NNC(=O)c1ccccc1O	100456487	NTKUGMJFWJISLK-FNORWQNLSA-N	314.223	0.559	50	40	DCGB	
N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@@H]1c1ccc(F)cc1	43649	VXZUZKONSFMPSZ-SECBINFHSA-N	300.249	0.833	50	40	DCGB	biogenic
Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C/c1ccc2c(c1)OCO2	2746641	IMJGOIBXQQWKGF-LHHJGKSTSA-N	317.261	0.821	50	40	DCGB	
Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1=O	44944785	BBPOLPMWXSQJDA-UHFFFAOYSA-N	315.285	0.189	50	40	DCGB	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1	44976054	CGFMLKGBNQJBGI-WDEREUQCSA-N	309.347	0.900	50	40	DCGB	
COc1ccc(Br)cc1C(=O)NNC(N)=S	15423273	YIDVRPOJEVUYRS-UHFFFAOYSA-N	304.169	0.936	50	40	DCGB	
O=C(NNC(=O)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	15663216	IEIXXHISAQRJDU-UHFFFAOYSA-N	307.262	0.537	50	40	DCGB	
COCC1=C(C(=O)OC)[C@H](c2ccncc2)C(C#N)=C(N)O1	4175446	ADEOYJBTIAZGSK-GFCCVEGCSA-N	301.302	0.963	50	40	DCGB	
Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NN	9300197	HAVMNTNUJKKBER-UHFFFAOYSA-N	312.376	0.856	50	40	DCGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccn2)cc1	59516097	UDAYWLYTPGEALQ-YBFXNURJSA-N	312.329	0.857	50	40	DCGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@]2(C)[C@@H]1C(=O)N(C)C(=O)N2C	4265221	OKVUJYVTWDTXOQ-PKFCDNJMSA-N	307.306	0.460	50	40	DCGB	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](C)C2)n1	8142545	GZOXNCGHPYRHHQ-SNVBAGLBSA-N	310.423	0.873	50	40	DCGB	
O=C(O)[C@@H]1[C@H]2C[C@H]3[C@@H](OC(=O)[C@@H]13)[C@H]2I	100923330	NHGLFZIQXAGSGN-JWCLTRPWSA-N	308.071	0.682	50	40	DCGB	
O=C(NNC(=O)c1ccco1)c1csc(N2CCOCC2)n1	12802690	GIWFZGKFZGPBIH-UHFFFAOYSA-N	322.346	0.648	50	40	DCGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1	409078934	JHODHKWHAIQSIF-GFCCVEGCSA-N	323.356	0.644	50	40	DCGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3cn(C)nc3C)nc2n1	508152	XUZXAGPFVMTMIR-GIDUJCDVSA-N	312.337	0.547	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@]2(C)[C@@H]1C(=O)N(C)C(=O)N2C	4265220	OKVUJYVTWDTXOQ-ISTVAULSSA-N	307.306	0.460	50	40	DCGB	biogenic
O=C(CSc1ncn[nH]1)NNC(=O)c1ccc([N+](=O)[O-])cc1	15777508	YCFDCXPYULFAFL-UHFFFAOYSA-N	322.306	0.266	50	40	DCGB	
CN(C)NC(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1	33943343	AQUNJYQIIHKITG-UHFFFAOYSA-N	311.301	0.484	50	40	DCGB	
CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC	100342525	AJQVHDDQMFIWKE-UHFFFAOYSA-N	312.219	0.447	50	40	DCGB	
O=C(O)/C=C/C(=O)NNC(=O)c1ccc(Br)o1	2776256	PZCACJAOTHDVOY-ONEGZZNKSA-N	303.068	0.444	50	40	DCGB	
Cc1nnc(SCC(=O)NNC(=O)COc2ccccc2)o1	7604903	WEOUCDWKDSDGMP-UHFFFAOYSA-N	322.346	0.697	50	40	DCGB	
Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1	1857131	NPPLVASNYGROGB-AWNIVKPZSA-N	306.307	0.721	50	40	DCGB	
C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NN	6416072	QOVMESCRLJUELP-RXMQYKEDSA-N	312.178	0.650	50	40	DCGB	
COC(=O)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1	59152197	MHTDPBUFRMDDBK-MHWRWJLKSA-N	305.334	0.256	50	40	DCGB	
COc1cccc(/C=N/NC(=O)CNC(=O)c2ccco2)c1O	1952601	DAAAIESCTLINQL-CAOOACKPSA-N	317.301	0.874	50	40	DCGB	
C=CCNC(=S)NNC(=O)CNC(=O)c1cccc(OC)c1	9304587	GQDVCUAEIIPWMP-UHFFFAOYSA-N	322.390	0.106	50	40	DCGB	
O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2ccco2)c1	12775808	INQMIUWNZDKAMH-UHFFFAOYSA-N	310.287	0.601	50	40	DCGB	
CN(C)S(=O)(=O)NCC(=O)N/N=C/c1ccccc1Cl	3099803	ONWPMVSHUQNGFZ-NTUHNPAUSA-N	318.786	0.186	50	40	DCGB	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccco2)cc1	8354655	KTQLFRGKWFNCGM-UHFFFAOYSA-N	308.315	0.758	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1C	408603872	HHYRRZJRMVHOBJ-VIFPVBQESA-N	301.368	0.050	50	40	DCGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)CCn1cc([N+](=O)[O-])cn1	375099	ATRILMXDUUEBEL-VGOFMYFVSA-N	319.325	0.682	50	40	DCGB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCl	41064	PVOIUILANHLHAN-UHFFFAOYSA-N	311.773	0.652	50	40	DCGB	
O=C(NCCCl)Oc1cccn(C(=O)NCCCl)c1=O	1562633	MDXFMSCPXQTZNJ-UHFFFAOYSA-N	322.148	0.972	50	40	DCGB	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C1CC1	84436853	RAGYBPHCJNOPGK-JTQLQIEISA-N	307.375	0.910	50	40	DCGB	
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)oc1C	7778573	CUNIXNYVKSHMRM-WRWORJQWSA-N	310.354	0.740	50	40	DCGB	
COc1ccccc1C(=O)NCCC(=O)NNC(=O)C1CC1	15794465	KKMCOXPYMRMCTB-UHFFFAOYSA-N	305.334	0.373	50	40	DCGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(O)nn1	22759912	NMSAIMJPLNQOQE-MRVPVSSYSA-N	320.280	0.550	50	40	DCGB	
O=S1(=O)C[C@H](Cl)[C@@H](S(=O)(=O)Oc2ccccc2)C1	5684352	RNKHZWKCHZWTDD-UWVGGRQHSA-N	310.780	0.800	50	40	DCGB	
Cc1occc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1	32913275	YLKHWMJZIFTZTM-LLVKDONJSA-N	322.365	0.743	50	40	DCGB	
Cc1csc(-c2cn(C(C)C)c(=O)n(CC(=O)NN)c2=O)n1	161393	IXFMMRAIEJMDDU-UHFFFAOYSA-N	323.378	0.013	50	40	DCGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OC)cc1	2132010	LJHIFWLFRRSAJY-UHFFFAOYSA-N	321.333	0.749	50	40	DCGB	
Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=S)NC1CCCC1	8306598	IARKIZKIEWFLKA-UHFFFAOYSA-N	312.355	0.380	50	40	DCGB	
CC1=NNC(=O)[C@H]1CC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	100064626	PQQVTJJJSITUHJ-IYVNWDGISA-N	317.305	0.947	50	40	DCGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	1810538	LOUCJWGZWNADQC-YQCJOKCJSA-N	320.370	0.905	50	40	DCGB	
Nc1nonc1NC(=O)N/N=C/c1cccc2nsnc12	3021186	UBSDHGVVCXJKLB-UUILKARUSA-N	304.295	0.812	50	40	DCGB	
CCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)C3CC3)ccc21	26968952	RKVPBXFJKBQNGN-UHFFFAOYSA-N	314.345	0.896	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(C(F)(F)F)n1N	105808978	NIXSMKOCNYRCRE-PLNGDYQASA-N	306.273	0.428	50	40	DCGB	
CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	95457353	GSWDBTNRIDJKDI-CYBMUJFWSA-N	318.377	0.728	50	40	DCGB	
CCOC(=O)[C@]1(NC(C)=O)C[C@@](C)(CBr)OC1=O	35327425	KLNZAMIVBNUXGC-WDEREUQCSA-N	322.155	0.525	50	40	DCGB	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](C)C2)n1	8142544	GZOXNCGHPYRHHQ-JTQLQIEISA-N	310.423	0.873	50	40	DCGB	
Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCl	8725117	SMQIVYMWGHFNFE-UHFFFAOYSA-N	309.757	0.542	50	40	DCGB	
O=C(NNS(=O)(=O)c1ccccc1)[C@H]1CC(=O)N(C2CC2)C1	32786848	AUZVYIMAMZZKJW-JTQLQIEISA-N	323.374	0.007	50	40	DCGB	
Nc1c(C(=O)NNC(=O)c2ccccn2)cc(F)cc1[N+](=O)[O-]	48234459	UKPHTQFACFUEGJ-UHFFFAOYSA-N	319.252	0.786	50	40	DCGB	
CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	95457354	GSWDBTNRIDJKDI-ZDUSSCGKSA-N	318.377	0.728	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1	3009236	ACMFITJCTMOTJF-LFMVTYOGSA-N	305.334	0.441	50	40	DCGB	
O=C1O[C@H]2[C@@H](I)[C@@H]3CC[C@@H]2[C@H]1[C@H]3CO	100717025	REXUMYWXJZUFHW-PZJMJUOOSA-N	308.115	0.980	50	40	DCGB	
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(Cl)cc1	137534	HDXJLLQVIQVVFE-VIZOYTHASA-N	321.724	0.195	50	40	DCGB	
COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccccc21	223719207	NIWMUXLNTFKFNQ-SSZFMOIBSA-N	305.359	0.615	50	40	DCGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccncc1	36765	RKRPNKKFCWMQPK-LICLKQGHSA-N	307.317	0.885	50	40	DCGB	
O=C(NNS(=O)(=O)c1cnc[nH]1)c1ccc2ccccc2n1	71286711	HNWFPIUZTAAFQN-UHFFFAOYSA-N	317.330	0.581	50	40	DCGB	
COC1=C(NCCCl)C(=O)C(OC)=C(NCCCl)C1=O	1615601	RHLXSAGCANRBJB-UHFFFAOYSA-N	323.176	0.511	50	40	DCGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408735555	SHPSTLJCSQEESM-RIYZIHGNSA-N	308.294	0.083	50	40	DCGB	
NNC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1	409137132	UCIVLYLMCRXPIV-UHFFFAOYSA-N	305.319	0.945	50	40	DCGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]c1=O	12940999	YUVZBULWROGELF-UHFFFAOYSA-N	321.720	0.868	50	40	DCGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc[n+]([O-])cc1	47871963	CHKMHDBVAGEACU-UHFFFAOYSA-N	305.721	0.977	50	40	DCGB	
Cc1c(C(=O)NN)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	563136	RBZIPXMDFOGWHC-UHFFFAOYSA-N	303.709	0.670	50	40	DCGB	
O=S1(=O)CC[C@H](NC(=S)OC(CCl)CCl)C1	59568377	QFOHXSDTZQKLQM-LURJTMIESA-N	306.236	0.911	50	40	DCGB	
OC[C@H]1O[C@@H](SSc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O	77319475	BRZSUUGAVYFRNR-JCIQBVFBSA-N	304.389	0.227	50	40	DCGB	in-vitro
CCS(=O)(=O)[C@H](I)[C@H](O)C1CC1	96519304	LTJXMOJFWBMYQJ-RQJHMYQMSA-N	304.149	0.953	50	40	DCGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(O)cc1O	1920954	XMQZQMSLBPTMNM-GIJQJNRQSA-N	313.313	0.978	50	40	DCGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1ccc(C(=O)O)cc1	101098284	CWZXEVPFWUDPSF-LDADJPATSA-N	312.285	0.991	50	40	DCGB	
Nc1nnn(CC(=O)N/N=C/c2cccc(Br)c2)n1	547502	CQZVNUYVKMKOGS-WLRTZDKTSA-N	324.142	0.168	50	40	DCGB	
COc1ccccc1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	9547769	LGISNFNHHPEIGL-QWRGUYRKSA-N	317.794	0.758	50	40	DCGB	
CN(C)NC(=O)NC[C@H]1C[C@@H](CNC(=O)NN(C)C)C1(C)C	16577255	MEUXTLLDBSNSJN-PHIMTYICSA-N	314.434	0.200	50	40	DCGB	
NNC(=O)c1nc(Cc2ccc(NC(=O)C3CC3)cc2)no1	78404279	XEOAUOVEJOQDEG-UHFFFAOYSA-N	301.306	0.612	50	40	DCGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	408817043	ZOVPGBFBERWSNA-XYOKQWHBSA-N	303.318	0.220	50	40	DCGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(C)=O	2660842	IOVTVKUVBLNHSK-UHFFFAOYSA-N	313.741	0.636	50	40	DCGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3085687	JOSDAYVQOJDWDA-WIJRQFRKSA-N	320.305	0.340	50	40	DCGB	
Cc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1[N+](=O)[O-]	59246484	GUZZTWCJCCBVOX-DHDCSXOGSA-N	306.322	0.686	50	40	DCGB	
Cn1c(=O)cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]c1=O	13571099	XDIYBDFYBOJJEN-VIZOYTHASA-N	306.709	0.491	50	40	DCGB	
O=C(Cc1ccc(F)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	9576068	UVIITPYZAVBQTG-WDEREUQCSA-N	305.758	0.889	50	40	DCGB	
CC(=O)NNC(=S)N/C=C1/C(=O)Oc2ccccc2C1=O	17221763	ZFYOAPBVNRZGCE-RMKNXTFCSA-N	305.315	0.187	50	40	DCGB	
CCOC(OCC)C(=O)NNS(=O)(=O)c1ccc(C)cc1	1561144	LMRDVIQIDAVWSK-UHFFFAOYSA-N	316.379	0.704	50	40	DCGB	
NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1	4891526	WRLHKKADBNKSNI-POHAHGRESA-N	315.285	0.769	50	40	DCGB	
Nc1nnc(SCC(=O)NNC(=O)c2cccs2)s1	37021886	XKUNAHRRUYJMGC-UHFFFAOYSA-N	315.405	0.735	50	40	DCGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cnccn1	12881069	JMGGWPOYIQYTKT-UHFFFAOYSA-N	312.738	0.753	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1ccc([N+](=O)[O-])n1	252484636	GCAZZSIEMGFSNW-WLRTZDKTSA-N	309.261	0.123	50	40	DCGB	
CCOC(=O)NN(C(=O)OCC)[C@H]1CCN=C1C(=O)OC	5496164	XDYOROXKPPCENM-QMMMGPOBSA-N	301.299	0.492	50	40	DCGB	
COc1ccccc1OCC(=O)NNC(=O)c1cc(C)n[nH]1	586890	LTBVWQGRGKUVFT-UHFFFAOYSA-N	304.306	0.567	50	40	DCGB	
COc1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	4716662	JJQXPQIPXWHPMK-ZJUUUORDSA-N	303.767	0.829	50	40	DCGB	
CC(=O)NCCC(=O)NNC(=O)CN1CCCc2ccccc21	6790823	ZXMDAOJXEVTYHV-UHFFFAOYSA-N	318.377	0.113	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1	12917096	FIYQHUGILBVYFG-UHFFFAOYSA-N	301.324	0.584	50	40	DCGB	
Cc1csc(CC(=O)NNC(=O)CN2CCC(C)CC2)n1	9748771	KHYZFOHCXYBZAC-UHFFFAOYSA-N	310.423	0.873	50	40	DCGB	
O=C(CCl)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	4200444	UIOJKPXZYNONIT-CYBMUJFWSA-N	324.764	0.736	50	40	DCGB	
CCOC(=O)NN(C(=O)OCC)/C(C(=O)OCC)=C(/C)N	31749127	CJCIKNJNLZCPOI-HJWRWDBZSA-N	303.315	0.859	50	40	DCGB	
Cc1cnn(CCC(=O)NNC(=S)Nc2cn(C)nc2C)c1	2793999	XFXMXECRNXUJEW-UHFFFAOYSA-N	321.410	0.641	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O	8103370	XPJDTVUUWHADIN-LZYBPNLTSA-N	313.741	0.648	50	40	DCGB	
COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)CCl)C(F)(F)F	12402640	MUXGTVXCWJHBNO-VIFPVBQESA-N	314.647	0.219	50	40	DCGB	
O=C(CO)N/N=C/c1cc2c(cc1Br)OCO2	978828	JVEKKSMVVHORJT-KGVSQERTSA-N	301.096	0.620	50	40	DCGB	
CN(C)N(C(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	8855589	OAXYCWIYFMSXOJ-CYBMUJFWSA-N	307.375	0.664	50	40	DCGB	
CC(C)C(=O)N/N=C(\N)[C@@H](C)N1C(=O)c2ccccc2C1=O	95951401	DOJWWVBVPFNAPJ-SECBINFHSA-N	302.334	0.716	50	40	DCGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(OC)cc1	59459641	MKJYAHKHLCKGAY-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
O=C(CCl)N(c1ccccc1CO)[C@@H]1CCS(=O)(=O)C1	217382231	UPLAUBCBSYFQDB-LLVKDONJSA-N	317.794	0.938	50	40	DCGB	
C=CCNC(=S)NNC(=O)CC(=O)Nc1ccc(F)cc1	4739056	TUHUWOMVTFXAKE-UHFFFAOYSA-N	310.354	0.836	50	40	DCGB	
NNC(=O)c1ccc(OCOc2ccc(C(=O)NN)cc2)cc1	255188265	JDWBTGUFYIHHQV-UHFFFAOYSA-N	316.317	0.309	50	40	DCGB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCl)CC1	9256698	QJBAKDADTCEHIA-UHFFFAOYSA-N	321.786	0.363	50	40	DCGB	
CCOC(=O)[C@H](N)CCSSCC[C@@H](N)C(=O)OCC	5014698	HZSUCHDNRMUJGU-NXEZZACHSA-N	324.468	0.929	50	40	DCGB	
C[C@@H]1O[C@@H](Oc2ccc(CN=C=S)cc2)[C@H](O)[C@H](O)[C@H]1O	6066927	QAZIHHJTZPNRCM-CNJBRALLSA-N	311.359	0.496	50	40	DCGB	biogenic
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2	7985989	XQXZWCRVRVJKCX-SNVBAGLBSA-N	323.374	0.703	50	40	DCGB	
COc1ccccc1S(=O)(=O)NNC(=O)c1ccccn1	47215298	VGXXSXLWLYFLQO-UHFFFAOYSA-N	307.331	0.714	50	40	DCGB	
Cc1nc(C(=O)N2C[C@H](C(=O)NN)Oc3ccccc32)co1	225329517	UHIYAMPJWFNDOI-GFCCVEGCSA-N	302.290	0.381	50	40	DCGB	
CCNC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	13623453	DJUSQODXKACXOV-LBPRGKRZSA-N	320.418	0.550	50	40	DCGB	
CCOc1cc(/C=N/NC(=O)Cc2cc(O)n[nH]2)ccc1O	16804971	TYIZNDDFCLLXGW-OVCLIPMQSA-N	304.306	0.912	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(NC(N)=O)cc1	104818169	MZFNLDNFJPDTDR-FLIBITNWSA-N	302.290	0.659	50	40	DCGB	
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)oc1C	7778572	CUNIXNYVKSHMRM-RDDDGLTNSA-N	310.354	0.740	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@]2(C)[C@H]1C(=O)N(C)C(=O)N2C	245240136	OKVUJYVTWDTXOQ-GPCCPHFNSA-N	307.306	0.460	50	40	DCGB	
O=S1(=O)C[C@H](N[C@@H]2Nc3ccccc3NO2)[C@@H](Cl)C1	575422238	UCYHATZOCRODGM-SWPVVBRQSA-N	303.771	0.733	50	40	DCGB	
O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cnccn1	4610913	FNPQULSPOIDDDN-BNCCVWRVSA-N	315.245	0.877	50	40	DCGB	
CCc1n[nH]c2c1C1(CCN(C(C)=O)CC1)C(C#N)=C(N)O2	5130178	LSFOWLRFWXJWQG-UHFFFAOYSA-N	301.350	0.938	50	40	DCGB	
CCOC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC	6316498	BCAQKBQTTJSLKP-UHFFFAOYSA-N	304.324	0.643	50	40	DCGB	
COc1ccc(/C(C)=N/NC(=O)CN2CCOCC2)cc1OC	20248320	KAVPIPFXCGBORY-SFQUDFHCSA-N	321.377	0.876	50	40	DCGB	
CCOC(=O)NC(=O)/C(C#N)=C/N[C@H](CO)c1ccccc1	100219613	IFMWOPLJLHHTTJ-CNELAYHGSA-N	303.318	0.990	50	40	DCGB	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)OCCN1CCCCC1	575422992	NFQZCLPJQLYOHN-WDEREUQCSA-N	324.830	0.603	50	40	DCGB	
COC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl	26528814	SKVYKTYSTFBDCA-UHFFFAOYSA-N	322.726	0.676	50	40	DCGB	
Cc1cnn([C@H](C)C(=O)NNC(=S)Nc2cn(C)nc2C)c1	2792602	VJWHLSMFRUREEO-SNVBAGLBSA-N	321.410	0.812	50	40	DCGB	
CC[C@@H](C)NN(CCCN(CC)CC)C(=O)C1=NNC(=O)C1	102884789	GEKUEKSLTGIXJJ-GFCCVEGCSA-N	311.430	0.726	50	40	DCGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1	5630989	GEQFGXWLGBTFKX-UHFFFAOYSA-N	319.405	0.973	50	40	DCGB	
CNC(=O)/C(C#N)=C1\S[C@@H](CCO)C(=O)N1c1ccccc1	520491	IEMMAGJWWXAPBZ-CMHHUMAZSA-N	317.370	0.999	50	40	DCGB	
O=C1O[C@H]2[C@@H](I)[C@@H]3CC[C@H]2[C@H]1[C@H]3CO	4085807	REXUMYWXJZUFHW-FLVWBKNLSA-N	308.115	0.980	50	40	DCGB	
C[C@H](/C=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccccc1	3902481	WYJRTVORYZBWJO-VCBXAZPMSA-N	315.333	0.297	50	40	DCGB	
CC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCCOCCCl	1597715	XBMKSDHZNPOWSA-IUCAKERBSA-N	310.730	0.668	50	40	DCGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1	547474	BJJMOFVWVAWRBV-CXUHLZMHSA-N	316.369	0.252	50	40	DCGB	
CC(C)c1ccc(/C=N/NC(=O)Cc2nnc(O)[nH]c2=O)cc1	56165	GRCOGXPCUHKGLK-LZYBPNLTSA-N	315.333	0.687	50	40	DCGB	
O=C(NN[C@H]1CCS(=O)(=O)C1)c1ccc(Br)o1	5677172	FZYAQCFHEKNCGD-LURJTMIESA-N	323.168	0.464	50	40	DCGB	
CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(C2CC2)C1=O	6263945	OSXQMBBWLSQBNJ-VQHVLOKHSA-N	310.379	0.087	50	40	DCGB	
COc1ccccc1C(=O)NNC(=O)C(=O)NC1CCCCC1	6680611	QUWYUNLLCKJZKF-UHFFFAOYSA-N	319.361	0.905	50	40	DCGB	
CCN(CC)CCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1	40177685	KAJKLSVCYHYGJI-GFCCVEGCSA-N	324.874	0.973	50	40	DCGB	
O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1ccncc1	2743776	WWVOCLBLQQRMSD-DJKKODMXSA-N	307.313	0.942	50	40	DCGB	
COc1c([C@@H]2ON=C(C(=O)NN)[C@@H]2C)cc2c(c1OC)OCO2	15082567	GFKLQWQCYNWQJV-QUBYGPBYSA-N	323.305	0.486	50	40	DCGB	
CCN1C(=O)/C(=C/NNC(=O)c2ccncc2)C(O)=NC1=S	1294322	FTBAUOCPTXZSRR-VQHVLOKHSA-N	319.346	0.303	50	40	DCGB	
CCc1n[nH]c(SCC(=O)NNC(=O)c2cccs2)n1	6450205	MFRWKWZTIBHRSP-UHFFFAOYSA-N	311.392	0.982	50	40	DCGB	
CCCC[C@]1(C)[C@H]2SCC(=O)N2CCN1CC(=O)NN	35930567	OCYKPJDKVMCEIM-CHWSQXEVSA-N	300.428	0.142	50	40	DCGB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NN)c(C)c1	408617882	DXGRRDMLYULOBT-UHFFFAOYSA-N	301.368	0.052	50	40	DCGB	
O=S1(=O)C[C@H](N[C@H]2Nc3ccccc3NO2)[C@@H](Cl)C1	575422231	UCYHATZOCRODGM-BKDNQFJXSA-N	303.771	0.733	50	40	DCGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc[nH]c1[N+](=O)[O-]	3766684	YOQAUASYEIPVQM-LHHJGKSTSA-N	304.222	0.990	50	40	DCGB	
Cc1cn(CO[C@@H](CCl)CBr)c(=O)[nH]c1=O	101034020	ZWIXBAHQGPEITR-SSDOTTSWSA-N	311.563	0.821	50	40	DCGB	
CC(=O)NCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	49984057	LBQAXTVXFPDBMQ-UHFFFAOYSA-N	307.350	0.356	50	40	DCGB	
COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1	2135921	HHTITCIDOJOXNM-UHFFFAOYSA-N	323.374	0.506	50	40	DCGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cnccn1	7737498	HFVDBYFDVZWJRS-GFCCVEGCSA-N	300.274	0.078	50	40	DCGB	
Cc1cccc(N(C(=O)CCl)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	40177664	NQJVOAILRYHKNM-RYUDHWBXSA-N	317.794	0.725	50	40	DCGB	
Cc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2cccnc2)C1=O	100119196	VUHTWSMAOJBBBI-CYBMUJFWSA-N	324.340	0.957	50	40	DCGB	
CO[C@H]1CS(=O)(=O)[C@H](Br)[C@@H]1Br	3913887	JNWCQYXPAKQRIG-LMVFSUKVSA-N	307.991	0.914	50	40	DCGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@H]2N(C)C(=O)N(C)C(=O)[C@]12C	4265225	LOZLNFDEXXCMFV-IUPBHXKESA-N	307.306	0.460	50	40	DCGB	
CC1(C)SC[C@@H](C(=O)NNC(=O)c2ccccc2)N1C=O	4158418	MTQHAIWAUPACCY-NSHDSACASA-N	307.375	0.758	50	40	DCGB	
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NN	33546429	YNQGJDOZJMYGQV-UHFFFAOYSA-N	315.395	0.298	50	40	DCGB	
CC(=O)NCCC(=O)NNC(=O)c1ccc(OC(C)C)cc1	6559773	PVWAJWAFWGUGII-UHFFFAOYSA-N	307.350	0.761	50	40	DCGB	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)C[C@@](O)(CCl)[C@H]1[C@@H](O)C=C(C)[C@@H]21	1529054549	JNRJLCSYIQFLDS-GJJLGPNWSA-N	314.765	0.372	50	40	DCGB	
COc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1OC	3059230	JRJPAXFZKIRUDR-MHWRWJLKSA-N	305.334	0.776	50	40	DCGB	
COC(=O)NNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	32765607	DKDSDLGJTHQANR-UHFFFAOYSA-N	309.687	0.798	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1	4851849	OIQGZWBQLJOIID-XQHKEYJVSA-N	300.314	0.971	50	40	DCGB	
NC(=O)N/N=C/c1cc(I)ccc1O	36617147	PQGRCALKRQJRLO-NYYWCZLTSA-N	305.075	0.999	50	40	DCGB	
N#CC1=C(OCCO)N[C@H](N)C(C#N)=C1C(=O)c1ccccc1	19624995	AROTUUFUMKYMPG-HNNXBMFYSA-N	310.313	0.322	50	40	DCGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O	59386523	KXURZTOTCDBDGH-WLRTZDKTSA-N	300.112	0.351	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)c1	100327012	GMACEGSQYKZCFD-GGNJANJASA-N	318.333	0.666	50	40	DCGB	
NC(=O)N/N=C/c1cc(Br)c(N2CCOCC2)o1	408852944	JYLAVPAROAGYQG-AWNIVKPZSA-N	317.143	0.881	50	40	DCGB	
COc1cccc(C(=O)NNC(=O)Cc2csc(N)n2)c1	268838	KVBWKKSHXXPUSL-UHFFFAOYSA-N	306.347	0.738	50	40	DCGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1O	5511607	HTPOOIIQULUXFV-CXUHLZMHSA-N	309.322	0.004	50	40	DCGB	
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)OCCCl	14187850	LUNVJACVRJKGKO-LLVKDONJSA-N	320.736	0.994	50	40	DCGB	
CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2OCCCl)C1	19831145	NKGMMWFINJRINN-MNOVXSKESA-N	305.718	0.896	50	40	DCGB	
CCOC(=O)NCCC(=O)NNc1cc(Cl)nc(N)n1	95996795	KIJNRWUUWCEWFX-UHFFFAOYSA-N	302.722	0.292	50	40	DCGB	
O=C1O[C@H]2[C@H]3CC[C@@H]([C@@H]1[C@H]3CO)[C@H]2I	103926707	OESYYIHPXWILPL-LLVDSZRASA-N	308.115	0.980	50	40	DCGB	
Cn1cnnc1SCC(=O)N/N=C/c1ccc(O)c(O)c1	526917	VPAANCCHGYGGMV-WLRTZDKTSA-N	307.335	0.469	50	40	DCGB	
CCOC(=O)C(C(=O)OCC)[C@H]1CS(=O)(=O)C[C@@H]1Cl	3156349	RFPGPAUXESPDSF-YUMQZZPRSA-N	312.771	0.381	50	40	DCGB	
CCOC(=O)/C(=C/NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)=O	100205958	YBXYQFPFLCJLTC-XYOKQWHBSA-N	321.289	0.865	50	40	DCGB	
CCOc1ccccc1C(=O)NNc1cc(=O)n(C)c(=O)n1C	2706492	BGBZPQKTUVPKFZ-UHFFFAOYSA-N	318.333	0.240	50	40	DCGB	
COc1ccc(OC)c(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)c1	100327006	GMACEGSQYKZCFD-WIJRQFRKSA-N	318.333	0.666	50	40	DCGB	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccccc1)CS2	12863463	PKZTYOCHIZEWDT-XHDPSFHLSA-N	319.386	0.902	50	40	DCGB	
CC(=O)NNC(=O)CSc1nnnn1-c1ccc(C)cc1C	1357487	QMOYTHOPIAVWRI-UHFFFAOYSA-N	320.378	0.539	50	40	DCGB	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@H]21	257456156	JNRJLCSYIQFLDS-HLMNXPHPSA-N	314.765	0.372	50	40	DCGB	
Cn1c(NNC(=O)c2cccc3ccccc23)cc(=O)n(C)c1=O	2706520	CBOHFZHLTJJERJ-UHFFFAOYSA-N	324.340	0.994	50	40	DCGB	
COc1ccc(CC(=O)NNC(=O)c2cccnc2O)cc1	14139294	ORBZSFCGSVBAQC-UHFFFAOYSA-N	301.302	0.800	50	40	DCGB	
CCc1nnsc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	95385708	WISNUNXVGHVWEZ-UHFFFAOYSA-N	320.330	0.904	50	40	DCGB	
O=S1(=O)C[C@H]2N=C3S[C@@H](CBr)CN3[C@@H]2C1	222033553	CWWYRCAKFSRBHT-RRKCRQDMSA-N	311.226	0.334	50	40	DCGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1	7869229	LJRFPRZSCUMREK-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
Cn1c(CC(=O)NNC(=O)[C@H]2CCCO2)nc2ccccc21	9219922	IGRQEKTZKJWXGZ-GFCCVEGCSA-N	302.334	0.442	50	40	DCGB	
COc1cccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1O	195755	ANJHNMNCMKIPQI-LZYBPNLTSA-N	301.302	0.863	50	40	DCGB	
CCCCOC(=O)[C@H]1CSSC[C@H](NC(C)=O)C(=O)N1	1592517	FQWNYIMBJGHWNZ-VHSXEESVSA-N	320.436	0.714	50	40	DCGB	
C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NN	6408589	QOVMESCRLJUELP-YFKPBYRVSA-N	312.178	0.650	50	40	DCGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1	7812049	YRAMMIJHCIZPMW-SGPNVBEDSA-N	319.361	0.831	50	40	DCGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	252500842	TWINAISCSFRZKJ-VJYAUKRXSA-N	323.288	0.684	50	40	DCGB	
CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	4902801	TXCWQJWTYRZVHB-MHWRWJLKSA-N	305.334	0.394	50	40	DCGB	
CN1CCC2(CC1)[C@@H]1CN(C)CC=C1C(C#N)=C(N)C2(C#N)C#N	19816485	OKZFPFAXXPZZIS-OAHLLOKOSA-N	322.416	0.970	50	40	DCGB	
COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1[N+](=O)[O-]	59459747	ZFEIJMDHDJGSKR-LZYBPNLTSA-N	322.321	0.826	50	40	DCGB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)OCCN1CCCCC1	575422990	NFQZCLPJQLYOHN-MNOVXSKESA-N	324.830	0.603	50	40	DCGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	408798380	HZXZZWPYFZDGJY-UKTHLTGXSA-N	317.345	0.610	50	40	DCGB	
COc1cc([C@H]2ON=C(C(=O)NN)[C@H]2C)c(OC)c2c1OCO2	12417217	XIKBMHCYNKOVMP-LDWIPMOCSA-N	323.305	0.486	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	59515823	DNFKQLHYIGGDAB-FNQVVVRFSA-N	320.305	0.340	50	40	DCGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1C(=O)NN)C(=O)C=[N+]=[N-]	4837185	HUWPBLWVKIICNU-NOZJJQNGSA-N	317.349	0.304	50	40	DCGB	
O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl	9930809	WNOPDVOXXWRDAS-QMMMGPOBSA-N	316.766	0.536	50	40	DCGB	
COc1ccc(N2C[C@H](C(=O)NNC(=O)C(C)C)CC2=O)cc1	32770177	ONGNZOFQKJWJNP-LLVKDONJSA-N	319.361	0.852	50	40	DCGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(Br)o1	33749755	URNIUOVWFGAKBM-NTUHNPAUSA-N	316.155	0.824	50	40	DCGB	
CN1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S	4811588	JDJMGABLTWIOCC-SOFGYWHQSA-N	320.330	0.224	50	40	DCGB	
COC(=O)/C=C1\S/C(=N\NC(=O)c2cccnc2)NC1=O	5241995	LSPJWLCHIJKQQT-YVMONPNESA-N	306.303	0.002	50	40	DCGB	
COCCNC(=S)NNC(=O)COc1ccccc1Cl	7062289	VAPLTQUUPFZAGW-UHFFFAOYSA-N	317.798	0.861	50	40	DCGB	
Nc1ccn([C@H]2CC[C@@H](CI)O2)c(=O)n1	95627593	CUFJFFSTFXKKLP-POYBYMJQSA-N	321.118	0.938	50	40	DCGB	
COc1cccc(/C=N/NC(=O)Cc2nnc(N)s2)c1O	1881679	JIYBJJYYGLLINL-MKMNVTDBSA-N	307.335	0.527	50	40	DCGB	
Cn1cnnc1SCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	531432	UVLXPEMPRCDHJS-AWNIVKPZSA-N	320.334	0.966	50	40	DCGB	
COc1cc(C(=O)NCCCC(=O)NN)cc(OC)c1OC	1920288	SVYSHVLDIDOLOW-UHFFFAOYSA-N	311.338	0.212	50	40	DCGB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1Cl	408597245	UKMFKCHTRQWETA-ZETCQYMHSA-N	321.786	0.395	50	40	DCGB	
COCCN1C(=O)C[C@@H](NNC(=O)c2ccc(C)cc2)C1=O	3408324	KFMCBGZKCPYDDG-GFCCVEGCSA-N	305.334	0.003	50	40	DCGB	
O=S1(=O)C[C@H](Br)[C@H](OCCBr)C1	5290529	OKSOBYHGXSRHHO-NTSWFWBYSA-N	322.018	0.958	50	40	DCGB	
COc1cc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)ccc1O	100298805	BUQTUFZNEBEFLZ-MIJYTDESSA-N	304.306	0.363	50	40	DCGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccccc1C	101100639	MGQVKBNIZIXTAT-XMHGGMMESA-N	312.329	0.964	50	40	DCGB	
O=C(CCCCl)NC(=S)NNC(=O)c1ccncc1	32118945	HNHAJXBKQOPAKX-UHFFFAOYSA-N	300.771	0.736	50	40	DCGB	
COc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1	9530671	IINQXUVPXBGMAU-VXGBXAGGSA-N	317.794	0.758	50	40	DCGB	
CCOC(=O)c1cs/c(=N\N(C(C)=O)C(C)=O)n1C(C)=O	16948544	GVMYJEVASUARQA-SEYXRHQNSA-N	313.335	0.597	50	40	DCGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/[C@@H]1CC=CCC1	25758980	AJRVPQLXLSKLBL-NEFPKRPYSA-N	316.325	0.613	50	40	DCGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2nccnc2N)cc1	14047144	FARSLLUCVMUVIF-UHFFFAOYSA-N	315.333	0.921	50	40	DCGB	
Cn1nc(C(=O)NNC(=O)C2CCCC2)c2ccccc2c1=O	8036285	DKUUPMGLVLKTNZ-UHFFFAOYSA-N	314.345	0.885	50	40	DCGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc[nH]c1=O	12979524	HRGIRAAQNJNCST-VIFPVBQESA-N	319.292	0.743	50	40	DCGB	
CCOc1ccccc1/C=N/NC(=O)CC(=O)NCCOC	59435566	UYMCWYTXMNXLCL-GZTJUZNOSA-N	307.350	0.688	50	40	DCGB	
NNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2N1	100482383	BTENYQSCQYYTMW-IZXSPOQTSA-N	300.362	0.964	50	40	DCGB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(SC#N)c1O	409058135	RPFDJRDLCCRHQX-UHFFFAOYSA-N	319.298	0.723	50	40	DCGB	
O=C(CNC(=O)OCc1ccccc1)NNc1ncccn1	58357594	WKPJZPAYSFSGNC-UHFFFAOYSA-N	301.306	0.846	50	40	DCGB	
CO[C@@H]1CS(=O)(=O)[C@H](Br)[C@H]1Br	245204263	JNWCQYXPAKQRIG-WISUUJSJSA-N	307.991	0.914	50	40	DCGB	
C[C@H](Cl)CN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C	158225	MUYLFHUEKBSMBP-QMMMGPOBSA-N	311.773	0.271	50	40	DCGB	
Cc1ccccc1NC(=S)NNC(=O)c1ccc(=O)[nH]n1	4622782	NMVKHFVDHOPZHX-UHFFFAOYSA-N	303.347	0.710	50	40	DCGB	
CCOC(=O)c1[nH]c(=O)[nH]c1/C=N/NC(=O)Cc1ccccc1	48033	NVOZMMKLYPVJAU-CXUHLZMHSA-N	316.317	0.573	50	40	DCGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1	408653162	FDENAMBWVYSDSS-KSSYENDESA-N	300.314	0.645	50	40	DCGB	
CC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)OCCOCCCl	1597716	XBMKSDHZNPOWSA-DTWKUNHWSA-N	310.730	0.668	50	40	DCGB	
NC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1	101426306	VCSKLPACBWNHNL-NSHDSACASA-N	301.133	0.361	50	40	DCGB	
CCn1c(NNC(=O)c2cnn(C)c2)nc2ccccc2c1=O	11161791	SIKOWKSGOXLIKD-UHFFFAOYSA-N	312.333	0.907	50	40	DCGB	
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN)cc1Cl	408551237	GVWQQTPABIEBHK-LURJTMIESA-N	307.759	0.005	50	40	DCGB	
COc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	2927836	JJQXPQIPXWHPMK-VHSXEESVSA-N	303.767	0.829	50	40	DCGB	
COc1cc(C(=O)NN)ccc1OCC(=O)N1CCC(C)CC1	226360720	VXCHVSBTVFGJQJ-UHFFFAOYSA-N	321.377	0.936	50	40	DCGB	
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CCl)C2=O)c1	8939692	ZJSBMUGDAMQXTO-CYBMUJFWSA-N	311.725	0.732	50	40	DCGB	
Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCCCCC1	25759022	RRYZJDVAJPBEGO-UHFFFAOYSA-N	318.341	0.981	50	40	DCGB	
CCOC(=O)NNC(=O)Cn1cnc2ccc(F)cc2c1=O	58244548	SWDDKGIDTXOUAC-UHFFFAOYSA-N	308.269	0.313	50	40	DCGB	
O=C1O[C@@H]2[C@H]3CC[C@@H]([C@@H]2I)[C@H](CO)[C@H]13	100717024	REXUMYWXJZUFHW-HLUDCIRASA-N	308.115	0.980	50	40	DCGB	
COC(=O)Cc1n[nH]c2c1[C@]1(CCO[C@H]1C)C(C#N)=C(N)O2	4010279	OXUPYAQJVOZFJF-WJWGPLDTSA-N	304.306	0.258	50	40	DCGB	
COc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	9547767	LGISNFNHHPEIGL-WDEREUQCSA-N	317.794	0.758	50	40	DCGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc[nH]c2=O)cc1	12941054	QUHWQNFCUFVRNX-UHFFFAOYSA-N	301.302	0.523	50	40	DCGB	
Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCCCC1	25758761	PUXVIOMTFIPFGQ-UHFFFAOYSA-N	304.314	0.591	50	40	DCGB	
NNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2N1	100482378	BTENYQSCQYYTMW-FXZYXXQUSA-N	300.362	0.964	50	40	DCGB	
C=CCOc1cccc(/C=N\NC(=O)CC(=O)NCCOC)c1	408753797	QJDWDSNCKJFGTK-PDGQHHTCSA-N	319.361	0.854	50	40	DCGB	
COc1ccc(/C=N\NC(=O)NNC(=O)CCl)cc1OC	104064793	HNDBBRBPSGJWJT-AUWJEWJLSA-N	314.729	0.607	50	40	DCGB	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cccnc1	12868402	STIKCQVZGYYYFS-UHFFFAOYSA-N	313.239	0.758	50	40	DCGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(O)c1	409258867	VUGYJGPJMOAUDX-LICLKQGHSA-N	307.350	0.774	50	40	DCGB	
COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21	223754710	NIEXKOXQLGGYTE-LGMDPLHJSA-N	323.349	0.754	50	40	DCGB	
O=C(NNS(=O)(=O)[C@@H]1CCCOC1)c1ccccc1O	96003482	DEAIIKSTMSSJLQ-SECBINFHSA-N	300.336	0.135	50	40	DCGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccn1	2055590	OXCKAXLAYOZAGF-CAOOACKPSA-N	312.285	0.899	50	40	DCGB	
O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1F	409185714	OYSIVQAHNKZOCP-VXLYETTFSA-N	300.293	0.987	50	40	DCGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(/C=N/O)nc1	530273	KXQNAVCTONXHDU-CAOOACKPSA-N	309.285	0.976	50	40	DCGB	
CC(=O)NNC(=O)CSc1nnnn1-c1cc(C)ccc1C	1357490	KPKOXCHCHIUTGQ-UHFFFAOYSA-N	320.378	0.539	50	40	DCGB	
Cn1cc([N+](=O)[O-])c(NNC(=O)c2ccc([N+](=O)[O-])cc2)n1	3895196	SDELMUWGHVMTFC-UHFFFAOYSA-N	306.238	0.993	50	40	DCGB	
CC(=O)NNC(=S)N/C=C1/C(=O)N(c2ccccc2)N=C1C	104305491	GBZQXVFTFMQFHY-XYOKQWHBSA-N	317.374	0.808	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(O)c(OC)c1	3062005	BXFFGGLWJXGMFE-CXUHLZMHSA-N	309.322	0.004	50	40	DCGB	
O=C(CN1CCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1	4981813	XQPJKYUSRLDFGM-UHFFFAOYSA-N	306.322	0.842	50	40	DCGB	
CCCCCCn1c(NNC=O)nc2c1c(=O)[nH]c(=O)n2C	3132761	YIBWLWPUFZMFEF-UHFFFAOYSA-N	308.342	0.077	50	40	DCGB	
Cc1cc2c(c(=O)n1CCO)[C@H](c1ccncc1)C(C#N)=C(N)O2	4305880	BFEIVHBKTRHTPE-CQSZACIVSA-N	324.340	0.762	50	40	DCGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1	104718164	LJAOKVPQYUQDFD-KTKRTIGZSA-N	314.305	0.223	50	40	DCGB	
N#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	4906949	BAOWUWHZJVXKHG-MHWRWJLKSA-N	317.305	0.795	50	40	DCGB	
CCOC(=O)C/C(=N\NC(=O)c1ccccc1O)C(=O)OCC	5329482	SAIJIIMDGMZUBV-LFIBNONCSA-N	322.317	0.994	50	40	DCGB	
COc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc1	7067485	MTUDGCQTKPVXOY-GFCCVEGCSA-N	309.391	0.983	50	40	DCGB	
O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccco1	8355345	IPCJKIZKLCRJGP-UHFFFAOYSA-N	312.285	0.451	50	40	DCGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)NC1CCCC1	59444292	CVEVSGSQXBNUMG-CXUHLZMHSA-N	303.318	0.894	50	40	DCGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1ccccc1C(=O)O	101127862	LARLECWXYZNKEZ-LDADJPATSA-N	312.285	0.991	50	40	DCGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@](C)(NC(C)=O)[C@@H]1C(=O)OCC	4267762	ANFYUXVVSXAVBI-XUJVJEKNSA-N	324.333	0.635	50	40	DCGB	biogenic
Cc1nc(C(=O)N2C[C@@H](C(=O)NN)Oc3ccccc32)co1	225329478	UHIYAMPJWFNDOI-LBPRGKRZSA-N	302.290	0.381	50	40	DCGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1	408731666	OPXIEGPOOQSDAZ-VGOFMYFVSA-N	319.346	0.895	50	40	DCGB	
O=S1(=O)C[C@@H]2N=C3S[C@H](CBr)CN3[C@H]2C1	5224839	CWWYRCAKFSRBHT-VQVTYTSYSA-N	311.226	0.334	50	40	DCGB	
CCCNC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	3176537	RCIHYHBGCUXGDG-RQZCQDPDSA-N	323.349	0.689	50	40	DCGB	
O=S(=O)(CCCl)CC[C@H](O)S(=O)(=O)CCCl	100287539	YPKLASYHNLGXQO-SSDOTTSWSA-N	313.224	0.002	50	40	DCGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc2c(c1)OCCO2	408718421	XBEFBLOZKOTDIW-LICLKQGHSA-N	321.333	0.061	50	40	DCGB	
O=C(Cc1ccccc1)NNC(=O)C[C@@H]1SC(=O)NC1=O	1469860	MSRDVDHKRCPGQD-VIFPVBQESA-N	307.331	0.118	50	40	DCGB	
NNC(=O)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1	226242342	GKSQURGIMOPNOI-UHFFFAOYSA-N	300.702	0.688	50	40	DCGB	
CC1(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)OCCO1	1098468	MYDPYVBXVRWYSM-CXUHLZMHSA-N	322.317	0.753	50	40	DCGB	
O=C1O[C@H]2[C@H]3CC[C@H]([C@@H]1[C@H]3CO)[C@H]2I	103926711	OESYYIHPXWILPL-ARADLNFTSA-N	308.115	0.980	50	40	DCGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O	256716	MBVOWKPTYXIWFT-RIYZIHGNSA-N	304.266	0.698	50	40	DCGB	
C[C@@H]1CCCCN1S(=O)(=O)c1ccsc1C(=O)NN	15424145	CVUWDROADOYHAO-MRVPVSSYSA-N	303.409	0.915	50	40	DCGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)C(N)=O	3228648	CYHVYBXIVLTXNP-UBKPWBPPSA-N	323.715	0.909	50	40	DCGB	
COc1ccc(/C=N/NC(=O)CN2CCOCC2)c(OC)c1	20248365	HJGQCNJAJWEWCJ-MHWRWJLKSA-N	307.350	0.486	50	40	DCGB	
CC1(C)O[C@H]2[C@H](O)[C@H](CI)O[C@@H]2O1	4775263	DCKHXMRAJOEGMI-BNHYGAARSA-N	300.092	0.659	50	40	DCGB	
O=S1(=O)C[C@@H](Cl)[C@@H](OS(=O)(=O)c2ccccc2)C1	4017433	QTKLLKYXEBAZKY-ZJUUUORDSA-N	310.780	0.796	50	40	DCGB	
Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1B(O)O	203649186	GBQHGDQAFMZCRV-UHFFFAOYSA-N	321.186	0.127	50	40	DCGB	
C=CCN1C(=O)/C(=C/NNC(=O)CCCC)C(O)=NC1=S	4856801	FRGRYWFGHHBBIH-CMDGGOBGSA-N	310.379	0.951	50	40	DCGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cnccn1	7737499	HFVDBYFDVZWJRS-LBPRGKRZSA-N	300.274	0.078	50	40	DCGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc2c(c1)OCO2	7783566	HFTLNFNXDVRCSC-RGOWCBCBSA-N	319.317	0.161	50	40	DCGB	
CN(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccs2)C1	39560642	FULNVFYGXNZOBM-SNVBAGLBSA-N	324.406	0.903	50	40	DCGB	
CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	100151422	AFMAVRZUVIAAHW-UQDQQJHMSA-N	303.278	0.557	50	40	DCGB	
O=C(COc1cccc(F)c1)NNC(=O)c1ccc[nH]c1=O	12940936	BSDDTNNALPUXGD-UHFFFAOYSA-N	305.265	0.354	50	40	DCGB	
CN(C)NC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1	408977222	VZWOHDGPQCATMH-UHFFFAOYSA-N	311.301	0.484	50	40	DCGB	
N#CCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	4977088	HKNYPMJIDHAJQR-UHFFFAOYSA-N	307.291	0.144	50	40	DCGB	
CCN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S	4859901	JULBIBNFMKJZNX-CSKARUKUSA-N	318.358	0.908	50	40	DCGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1	3009253	NCTJAZZZFHOJTQ-XKYMITNMSA-N	319.361	0.831	50	40	DCGB	
Cc1cc(OCC(=O)NNc2nnc(C)c(=O)[nH]2)ccc1Cl	11548115	MDANTTJOCIBMPN-UHFFFAOYSA-N	323.740	0.957	50	40	DCGB	
COc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1OC	408970223	CWMLINRUAONKFR-UHFFFAOYSA-N	307.350	0.546	50	40	DCGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	5530997	NNNSPHRDARMNOU-SNVBAGLBSA-N	311.257	0.896	50	40	DCGB	
CC(=O)NNC(=S)N/C=C1\C(=O)N(c2ccccc2)N=C1C	104305485	GBZQXVFTFMQFHY-WQLSENKSSA-N	317.374	0.808	50	40	DCGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc2c(c1)OCO2	3079615	KWIAPFLOQIZIOD-REZTVBANSA-N	315.285	0.888	50	40	DCGB	
COC1=C(OC)[C@@H]([C@@H](CBr)OC(C)=O)OC1=O	3843046	JAIZJDIWZLUPEB-RNFRBKRXSA-N	309.112	0.743	50	40	DCGB	biogenic
CCOc1ccc(-n2nc(C(=O)NN)c(C)c(C#N)c2=O)cc1	9095680	VMFSQWYJQTWRFY-UHFFFAOYSA-N	313.317	0.415	50	40	DCGB	
Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@]23CCC[C@]12C3Br	101049216	YIZUZQSNJNNZPK-WXOOXQBASA-N	324.178	0.948	50	40	DCGB	
COC(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	58423441	ULSPHVSHTLLSPH-LLVKDONJSA-N	323.349	0.574	50	40	DCGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@@H]3N4S(=O)(=O)c3ccccc3)[C@@H]12	104073656	BCNVYFZUCFQHMB-FAKSGLGDSA-N	319.338	0.394	50	40	DCGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)c1	9913493	OFWUVWFRCBAERE-UHFFFAOYSA-N	317.301	0.467	50	40	DCGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)c(O)c1	100948904	INIBADBXVWMAKN-WIJRQFRKSA-N	317.349	0.420	50	40	DCGB	
CN(C)N(C(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	8855590	OAXYCWIYFMSXOJ-ZDUSSCGKSA-N	307.375	0.664	50	40	DCGB	
C[C@@H](Br)C(=O)Nn1c(=O)[nH]c2ccccc2c1=O	6411936	KJQFYPWMVUBPBZ-ZCFIWIBFSA-N	312.123	0.543	50	40	DCGB	
O=S1(=O)CC[C@H](NC(=S)OC[C@H](Cl)CCl)C1	59568585	LYFCOUTYNAFKFH-RQJHMYQMSA-N	306.236	0.911	50	40	DCGB