smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)CN)cc1	832273638	PEIFWEUFLXWBOR-LBPRGKRZSA-N	293.371	-1.057	10	20	CACD	
CC(=O)C(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O	1609061600	MPXIGCJCNYFAIH-UHFFFAOYSA-N	278.228	-2.115	10	20	CACD	
CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)CN)cc1	832273628	PEIFWEUFLXWBOR-GFCCVEGCSA-N	293.371	-1.057	10	20	CACD	
COC(=O)CCCNC=C1C(=O)NC(=S)NC1=O	49253026	CTDSBBLWFGOPPF-UHFFFAOYSA-N	271.298	-1.056	10	20	CACD	
CC(=O)NCC(=O)NCC(=O)NCc1ccc(O)c(O)c1	1324073664	COCYGNLBGVAUSH-UHFFFAOYSA-N	295.295	-1.034	10	20	CACD	
Cc1ccc(C(=O)NC[C@H](O)C(N)=O)c(O)c1O	834573594	LSFGNHMIUNGLMT-ZETCQYMHSA-N	254.242	-1.018	10	20	CACD	
O=C1NC(=S)NC(=O)C1=CNNc1ncncc1F	794185134	KPDXSYRSTXNXMW-UHFFFAOYSA-N	282.260	-1.053	10	20	CACD	
O=C1NC(=S)NC(=O)C1=CN[C@H]1CCS(=O)(=O)C1	31433799	DLLXUSZILTUFSR-YFKPBYRVSA-N	289.338	-1.822	10	20	CACD	
Cc1ccc(C(=O)NC[C@@H](O)C(N)=O)c(O)c1O	834573593	LSFGNHMIUNGLMT-SSDOTTSWSA-N	254.242	-1.018	10	20	CACD	
COc1cc(C(=O)NC2CN(CC(N)=O)C2)cc(OC)n1	1030612745	ZZYQJNZIKBAZCZ-UHFFFAOYSA-N	294.311	-1.002	10	20	CACD	
CC(=O)C(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O	808024578	MKMHJZXTYMYJGE-UHFFFAOYSA-N	252.226	-1.092	10	20	CACD	
NCC(=O)NCC(=O)NCc1cccc(O)c1O	1580211334	ZRMSMNRWTVQSPS-UHFFFAOYSA-N	253.258	-1.211	10	20	CACD	
O=C1NC(=S)NC(=O)C1=CN[C@@H]1CCS(=O)(=O)C1	31433796	DLLXUSZILTUFSR-RXMQYKEDSA-N	289.338	-1.822	10	20	CACD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(N)=O)c1	920431199	QOGZFOYCVYANPG-UHFFFAOYSA-N	287.297	-1.021	10	20	CACD	
O=C(O)CNC(=O)CNC(=O)Cc1ccc(O)c(O)c1	1602068943	FTCZOEDXIYNAJU-UHFFFAOYSA-N	282.252	-1.043	10	20	CACD	
COc1nccnc1NNC=C1C(=O)NC(=S)NC1=O	763364168	VRZNHLXNKLOXSJ-UHFFFAOYSA-N	294.296	-1.184	10	20	CACD	
CC(C)S(=O)(=O)NNC=C1C(=O)NC(=S)NC1=O	749969391	GMHIABNBBLFEEF-UHFFFAOYSA-N	292.342	-1.766	10	20	CACD	
CN1C(=O)C(=Cc2cn(CC(=O)O)nn2)C(=O)N(C)C1=O	759069738	BMGDEXOEJHZEEE-UHFFFAOYSA-N	293.239	-1.204	10	20	CACD	
NC(=O)CN(CC(N)=O)c1ccc(OCC(=O)O)cc1	1610637886	PHNWLPIKMVJDCB-UHFFFAOYSA-N	281.268	-1.073	10	20	CACD	
Cc1ccc(C(=O)N[C@@H](CO)C(N)=O)c(O)c1O	804356489	KGAOFWMAIXZQCL-ZETCQYMHSA-N	254.242	-1.018	10	20	CACD