smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nnc(CCC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(=O)[n-]1	ZINC000218099768	241297563	/nfs/dbraw/zinc/29/75/63/241297563.db2.gz	AGMXVJJOQMSKQM-BHDSKKPTSA-N	-1	0	344.375	-0.297	50	70		EBIARM
CSCC[C@@H](CO)NC(=O)CCc1nn2c([n-]1)nc(C)cc2=O	ZINC000218569693	379727288	/nfs/dbraw/zinc/72/72/88/379727288.db2.gz	OKWDMZXEUAZFEZ-JTQLQIEISA-N	-1	0	339.421	-0.111	50	70		EBIARM
CN(C)[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)OCO2	ZINC000218078567	241296022	/nfs/dbraw/zinc/29/60/22/241296022.db2.gz	HRAFKRSCQAIZDV-ZDUSSCGKSA-N	-1	0	333.348	-0.212	50	70		EBIARM
CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000217855324	241279192	/nfs/dbraw/zinc/27/91/92/241279192.db2.gz	URRTVEDXKKSDRA-LLVKDONJSA-N	-1	0	331.328	-0.096	50	70		EBIARM
Cc1cc(=O)n2nc(CC(=O)NCCSc3nnnn3C)[n-]c2n1	ZINC000217713074	241271115	/nfs/dbraw/zinc/27/11/15/241271115.db2.gz	REPQUBBTMXTYFG-UHFFFAOYSA-N	-1	0	349.380	-0.887	50	70		EBIARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(=O)[nH]cn2)cc1	ZINC000217793056	241274250	/nfs/dbraw/zinc/27/42/50/241274250.db2.gz	BINBKGLNWXHHBV-UHFFFAOYSA-N	-1	0	336.329	-0.153	50	70		EBIARM
Cc1c(C(=O)N2CCn3nc(CO)cc3C2)cnc2cc(=O)[n-]n21	ZINC000217791795	241273971	/nfs/dbraw/zinc/27/39/71/241273971.db2.gz	BEXMDGUTTCXTBF-UHFFFAOYSA-N	-1	0	328.332	-0.324	50	70		EBIARM
Nc1nnc(CCC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(=O)[n-]1	ZINC000218674310	241337330	/nfs/dbraw/zinc/33/73/30/241337330.db2.gz	AGMXVJJOQMSKQM-RBZYPMLTSA-N	-1	0	344.375	-0.297	50	70		EBIARM
Nc1nnc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(=O)[n-]1	ZINC000218674229	241337489	/nfs/dbraw/zinc/33/74/89/241337489.db2.gz	AGMXVJJOQMSKQM-ISTVAULSSA-N	-1	0	344.375	-0.297	50	70		EBIARM
CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000217855389	241280115	/nfs/dbraw/zinc/28/01/15/241280115.db2.gz	URRTVEDXKKSDRA-NSHDSACASA-N	-1	0	331.328	-0.096	50	70		EBIARM
Nc1nnc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(=O)[n-]1	ZINC000218099699	241298117	/nfs/dbraw/zinc/29/81/17/241298117.db2.gz	AGMXVJJOQMSKQM-GPCCPHFNSA-N	-1	0	344.375	-0.297	50	70		EBIARM
CN(C)[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)OCO2	ZINC000218078496	241295700	/nfs/dbraw/zinc/29/57/00/241295700.db2.gz	HRAFKRSCQAIZDV-CYBMUJFWSA-N	-1	0	333.348	-0.212	50	70		EBIARM