smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1	12405068	YFVXLROHJBSEDW-UHFFFAOYSA-N	318.336	5.754	10	30	DKCC	
CC1(C)/C(=C\N=N\c2ccc3ccccc3c2)Nc2ccccc21	238790554	HGFPDEVRSZMUMG-NFVLHAOASA-N	313.404	6.168	10	30	DKCC	
Cc1cc(/N=N/c2ccccc2)c2c(C)ccc(C(C)C)cc1-2	4390343	HHUGNIJTHJRSSB-GHVJWSGMSA-N	302.421	6.947	10	30	DKCC	
Oc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCCCC1	172897	BSMWPQRBSSDOCB-HXUWFJFHSA-N	323.461	5.182	10	30	DKCC	
COc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1	33753921	UDYOHMGOZUXHFZ-KXNKKEQVSA-N	307.397	5.048	10	30	DKCC	
Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1	92695	SCGUDKCEFAZIKN-UHFFFAOYSA-N	302.805	5.157	10	30	DKCC	
Oc1ccc2ccccc2c1/N=N/c1nc2ccccc2s1	5935164	NXFVJTJWPUVTKK-FMQUCBEESA-N	305.362	5.571	10	30	DKCC	
Cc1cc(O)ccc1/N=N/c1ccc2c(c1)Cc1ccccc1-2	33846055	YHELYTRELJRMBS-QURGRASLSA-N	300.361	5.687	10	30	DKCC	
COc1ccc(/N=N/c2ccc3c(c2)CCCN3CC(C)C)cc1	4344357	GFMZKPGNJVCVBQ-QURGRASLSA-N	323.440	5.519	10	30	DKCC	
CCCCC(=O)c1ccc(/N=N/c2ccc(OC(C)=O)cc2)cc1	5819911	MOYHDIQWGYIORV-QZQOTICOSA-N	324.380	5.400	10	30	DKCC	
Cc1cc2ncc(/N=N/c3ccccc3)c(-c3cccs3)n2n1	4334129	MDOIQHLFKUPLTR-FMQUCBEESA-N	319.393	5.182	10	30	DKCC	
Cc1ccc2nc(/N=N/c3c(O)ccc4ccccc34)sc2c1	4738403	YBEKDJHRAMRTGE-QZQOTICOSA-N	319.389	5.879	10	30	DKCC	
O=C(C(=O)c1csc2ccccc12)c1csc2ccccc12	141567367	LIJDPBWPMBKRNZ-UHFFFAOYSA-N	322.410	5.182	10	30	DKCC	
Oc1c(O)c(-c2ccccc2Cl)c(Cl)c(Cl)c1Cl	604973090	MRIINRBTRJLPIZ-UHFFFAOYSA-N	323.990	5.378	10	30	DKCC	
CCCN1CCCc2cc(/N=N/c3ccc(C(C)=O)cc3)ccc21	4344348	DZGGYXUFFZYMCA-QURGRASLSA-N	321.424	5.467	10	30	DKCC	
O=C(O)c1ccccc1-c1ccccc1/N=N/c1ccc(O)cc1	6095523	FCFAMZCFGQVAIR-QZQOTICOSA-N	318.332	5.173	10	30	DKCC	
Cc1ccc(N=Nc2cnc(N)nc2-c2ccc(Cl)cc2)cc1	263632499	JQMIMILUAPDKHH-UHFFFAOYSA-N	323.787	5.103	10	30	DKCC	
CC(C)(C)C([N+]([O-])=[N+]([O-])C(C(C)(C)C)C(C)(C)C)C(C)(C)C	256652637	IIVFGJKIYVRZQW-UHFFFAOYSA-N	314.514	5.381	10	30	DKCC	
O=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)[nH]c2ccccc23)cc1	4375834	DCJICKKSWCCMEL-QZQOTICOSA-N	316.320	5.645	10	30	DKCC	
Cc1ncc(N=Nc2ccccc2Cl)c(-c2ccccc2)n1	253981608	IUYSGWIAVDUSDX-UHFFFAOYSA-N	308.772	5.521	10	30	DKCC	
c1ccc2c(Nc3ccc4[nH]ccc4c3)c3ccccc3nc2c1	196356032	OXSGSVSDXJFMCC-UHFFFAOYSA-N	309.372	5.613	10	30	DKCC	
CC(=O)Nc1ccc(/N=N/c2cccc(C(F)(F)F)c2)cc1C	4300429	FQJPPMRCRNPBFU-QURGRASLSA-N	321.302	5.388	10	30	DKCC	
Oc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1	5785508	AOCDFLRLNPGEIC-FLFKKZLDSA-N	318.336	5.929	10	30	DKCC	
Cc1ccccc1N=Nc1ccc(NC(=O)c2ccco2)c(C)c1	254851769	RDQWQMVBBQKHGH-UHFFFAOYSA-N	319.364	5.564	10	30	DKCC	
Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccc(F)cc1F	4299969	WBDOVCZSVUGVMY-QZQOTICOSA-N	312.323	5.183	10	30	DKCC	
Oc1ccc2ccccc2c1[C@H](c1cccs1)N1CCCCC1	172898	BSMWPQRBSSDOCB-FQEVSTJZSA-N	323.461	5.182	10	30	DKCC	
Clc1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1Cl	5784545	SOBGIMQKWDUEPY-ISLYRVAYSA-N	320.006	6.716	10	30	DKCC	endogenous,in-man
CCCCc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1	4343063	LHQOLHKCYHBVAC-QURGRASLSA-N	304.393	6.303	10	30	DKCC