smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CC(=O)N1CC[NH+](CCO)C[C@@H](O)C1)Cc1ccccc1F	ZINC000217969274	241288502	/nfs/dbraw/zinc/28/85/02/241288502.db2.gz	RWFMMZGXKZGRRR-OAHLLOKOSA-N	2	2	339.411	-0.245	50	70		EBIALP
C[N@@H+](CC(=O)N1CC[NH+](CCO)C[C@@H](O)C1)Cc1ccccc1F	ZINC000217969274	241288507	/nfs/dbraw/zinc/28/85/07/241288507.db2.gz	RWFMMZGXKZGRRR-OAHLLOKOSA-N	2	2	339.411	-0.245	50	70		EBIALP
C[NH+](CC(=O)N1CC[N@H+](CCO)C[C@@H](O)C1)Cc1ccccc1F	ZINC000217969274	241288512	/nfs/dbraw/zinc/28/85/12/241288512.db2.gz	RWFMMZGXKZGRRR-OAHLLOKOSA-N	2	2	339.411	-0.245	50	70		EBIALP
C[NH+](CC(=O)N1CC[N@@H+](CCO)C[C@@H](O)C1)Cc1ccccc1F	ZINC000217969274	241288518	/nfs/dbraw/zinc/28/85/18/241288518.db2.gz	RWFMMZGXKZGRRR-OAHLLOKOSA-N	2	2	339.411	-0.245	50	70		EBIALP
Cn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)[nH]c1=O	ZINC000217408302	536340459	/nfs/dbraw/zinc/34/04/59/536340459.db2.gz	FSNWHEKXMRSRJI-UHFFFAOYSA-N	2	2	349.435	-0.638	50	70		EBIALP
OCCNc1cc(N2CC[N@H+](CCc3cn[nH]c3)C[C@@H](O)C2)nc[nH+]1	ZINC000217201084	241241030	/nfs/dbraw/zinc/24/10/30/241241030.db2.gz	USFVMDMZUZWNKA-CQSZACIVSA-N	2	2	347.423	-0.671	50	70		EBIALP
OCCNc1cc(N2CC[N@@H+](CCc3cn[nH]c3)C[C@@H](O)C2)nc[nH+]1	ZINC000217201084	241241037	/nfs/dbraw/zinc/24/10/37/241241037.db2.gz	USFVMDMZUZWNKA-CQSZACIVSA-N	2	2	347.423	-0.671	50	70		EBIALP
Cc1noc(C[N@@H+]2CCN(c3nc(N)[nH+]c4c3CCC4)C[C@@H](O)C2)n1	ZINC000217145589	241237440	/nfs/dbraw/zinc/23/74/40/241237440.db2.gz	CYPKDHHBTHSQDS-NSHDSACASA-N	2	2	345.407	-0.078	50	70		EBIALP
Cc1noc(C[N@H+]2CCN(c3nc(N)[nH+]c4c3CCC4)C[C@@H](O)C2)n1	ZINC000217145589	241237448	/nfs/dbraw/zinc/23/74/48/241237448.db2.gz	CYPKDHHBTHSQDS-NSHDSACASA-N	2	2	345.407	-0.078	50	70		EBIALP
Cn1nc(C(N)=O)c2c1CCN(C(=O)C[N@H+](C)C1CC[NH+](C)CC1)C2	ZINC000218736784	241341928	/nfs/dbraw/zinc/34/19/28/241341928.db2.gz	LQKNYFHYWTUOLV-UHFFFAOYSA-N	2	2	348.451	-0.570	50	70		EBIALP
Cn1nc(C(N)=O)c2c1CCN(C(=O)C[N@@H+](C)C1CC[NH+](C)CC1)C2	ZINC000218736784	241341934	/nfs/dbraw/zinc/34/19/34/241341934.db2.gz	LQKNYFHYWTUOLV-UHFFFAOYSA-N	2	2	348.451	-0.570	50	70		EBIALP
Cc1nn(CCO)cc1C[N@@H+]1CCN(c2nc(N)cc[nH+]2)C[C@@H](O)C1	ZINC000217076854	241235279	/nfs/dbraw/zinc/23/52/79/241235279.db2.gz	ZVCRPIQTXPYAHO-AWEZNQCLSA-N	2	2	347.423	-0.761	50	70		EBIALP
Cc1nn(CCO)cc1C[N@H+]1CCN(c2nc(N)cc[nH+]2)C[C@@H](O)C1	ZINC000217076854	241235284	/nfs/dbraw/zinc/23/52/84/241235284.db2.gz	ZVCRPIQTXPYAHO-AWEZNQCLSA-N	2	2	347.423	-0.761	50	70		EBIALP