smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)c1ccc(CNC(=O)CN(CCN)C[C@@H](O)CO)cc1	852754104	PHUOVTZQOFPCKD-OAHLLOKOSA-N	324.425	-1.017	10	20	DACD	
COc1cc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)cc(OC)n1	941653648	DDXTVUWEAJUFKN-SECBINFHSA-N	322.321	-1.085	10	20	DACD	
COc1cc(C(=O)NC2CN(C(=O)C(N)=O)C2)cc(OC)n1	996369455	XKYYMMXDSBNPFL-UHFFFAOYSA-N	308.294	-1.475	10	20	DACD	
CN1C(=O)C(=CN[C@@H]2CCS(=O)(=O)C2)C(=O)N(C)C1=O	31433801	MALLUPWRGHYWOF-SSDOTTSWSA-N	301.324	-1.303	10	20	DACD	
CC(=O)C(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12	808488079	ZINNIFSISBEBHQ-UHFFFAOYSA-N	313.291	-1.343	10	20	DACD	
COc1cc(C(=O)NC2CN(C(=O)CC(N)=O)C2)cc(OC)n1	996368883	PXMLAFIGEWJXFQ-UHFFFAOYSA-N	322.321	-1.085	10	20	DACD	
CN1C(=O)C(=Cc2cn(C)c(=O)n(C)c2=O)C(=O)N(C)C1=O	884003367	NVTUOVDSKXOXDT-UHFFFAOYSA-N	306.278	-1.482	10	20	DACD	
COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc(OC)n1	974323598	BJRZRNQAXPNHTO-DTORHVGOSA-N	322.321	-1.039	10	20	DACD	
O=C(C(O)O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843248996	ZQJMOACMKQKUHU-UHFFFAOYSA-N	323.305	-1.380	10	20	DACD	
NC(=O)C(=O)NCCC1=CCN(c2ccc3nnnn3n2)CC1	1089862087	MWRQMEBGUMDDMM-UHFFFAOYSA-N	316.325	-1.353	10	20	DACD	
CN(C)c1ccc(CNC(=O)CN(CCN)C[C@H](O)CO)cc1	852754103	PHUOVTZQOFPCKD-HNNXBMFYSA-N	324.425	-1.017	10	20	DACD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC(CO)CO)c1	273363899	WPCVQUXLIPIVTB-UHFFFAOYSA-N	304.324	-1.153	10	20	DACD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)NC1CNC1	1348852262	JYUPMHNTJGGUNJ-GARJFASQSA-N	319.361	-1.069	10	20	DACD	
O=C1NC(=S)NC(=O)C1=CNc1n[nH]cc1-c1nn[nH]n1	1607050930	ZDAYYMXVJICHOJ-UHFFFAOYSA-N	305.283	-1.584	10	20	DACD	
COc1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)cc(OC)n1	938309208	DDXTVUWEAJUFKN-VIFPVBQESA-N	322.321	-1.085	10	20	DACD	
NC(=O)C(=O)NCCC1=CCN(c2nccn3nnnc23)CC1	1089862718	ZQNWSBMUVUJVDT-UHFFFAOYSA-N	316.325	-1.353	10	20	DACD	
CN1C(=O)C(=CN[C@H]2CCS(=O)(=O)C2)C(=O)N(C)C1=O	31433804	MALLUPWRGHYWOF-ZETCQYMHSA-N	301.324	-1.303	10	20	DACD	
O=C(c1cc(O)nc(O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O	1847447458	YBZXXRUUUAIPCY-IUCAKERBSA-N	323.305	-1.381	10	20	DACD	
COc1ccc(-n2nnnc2CNCCNC(=O)C(N)=O)cc1	1133195292	AHVDKNMEAAGAMH-UHFFFAOYSA-N	319.325	-1.638	10	20	DACD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)NC1CNC1	1348852243	JYUPMHNTJGGUNJ-DCAQKATOSA-N	319.361	-1.069	10	20	DACD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](O)C(=O)O)c1	833737932	OKXAFZQSDJAULA-VIFPVBQESA-N	318.307	-1.061	10	20	DACD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)C(O)O)C1	1841235515	ZACLAAXUBSFVAG-UHFFFAOYSA-N	323.305	-1.380	10	20	DACD	
CN1C(=O)C(=CNc2n[nH]cc2-c2nn[nH]n2)C(=O)N(C)C1=O	1609282400	WMBWQBKZTNFHLQ-UHFFFAOYSA-N	317.269	-1.064	10	20	DACD	
CC(C)S(=O)(=O)NNC=C1C(=O)N(C)C(=O)N(C)C1=O	299634309	JKKRKMMDKPAJPF-UHFFFAOYSA-N	304.328	-1.247	10	20	DACD	
COc1cc(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc(OC)n1	973463255	BJRZRNQAXPNHTO-KYZUINATSA-N	322.321	-1.039	10	20	DACD	
CN1CCN(CCCNC=C2C(=O)NC(=S)NC2=O)CC1	730971407	WZBYNCMLDQQOBB-UHFFFAOYSA-N	311.411	-1.372	10	20	DACD