smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093616	1094997848	/nfs/dbraw/zinc/99/78/48/1094997848.db2.gz	NRGIZYSLKGNLLS-DZGCQCFKSA-N	2	1	320.477	3.271	50	10		DGCAMP
COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093616	1094997856	/nfs/dbraw/zinc/99/78/56/1094997856.db2.gz	NRGIZYSLKGNLLS-DZGCQCFKSA-N	2	1	320.477	3.271	50	10		DGCAMP
CC(C)(C)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1O	ZINC000067956090	432047967	/nfs/dbraw/zinc/04/79/67/432047967.db2.gz	SJKMZVCBVGZCPQ-UHFFFAOYSA-N	2	1	302.462	3.265	50	10		DGCAMP
COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093618	1094997814	/nfs/dbraw/zinc/99/78/14/1094997814.db2.gz	NRGIZYSLKGNLLS-UKRRQHHQSA-N	2	1	320.477	3.271	50	10		DGCAMP
COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093618	1094997826	/nfs/dbraw/zinc/99/78/26/1094997826.db2.gz	NRGIZYSLKGNLLS-UKRRQHHQSA-N	2	1	320.477	3.271	50	10		DGCAMP
COc1cccc(C[N@@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O	ZINC000065374355	184331223	/nfs/dbraw/zinc/33/12/23/184331223.db2.gz	NAAGOUVJWGYRJW-UHFFFAOYSA-N	2	1	306.450	3.142	50	10		DGCAMP
COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093617	1094998147	/nfs/dbraw/zinc/99/81/47/1094998147.db2.gz	NRGIZYSLKGNLLS-HIFRSBDPSA-N	2	1	320.477	3.271	50	10		DGCAMP
COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093617	1094998158	/nfs/dbraw/zinc/99/81/58/1094998158.db2.gz	NRGIZYSLKGNLLS-HIFRSBDPSA-N	2	1	320.477	3.271	50	10		DGCAMP
Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2	ZINC000012712230	657571232	/nfs/dbraw/zinc/57/12/32/657571232.db2.gz	WAUVQLFFWAWTGG-IBGZPJMESA-N	2	1	300.446	3.090	50	10		DGCAMP
Oc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2	ZINC000012712230	657571239	/nfs/dbraw/zinc/57/12/39/657571239.db2.gz	WAUVQLFFWAWTGG-IBGZPJMESA-N	2	1	300.446	3.090	50	10		DGCAMP
Oc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2	ZINC000012712230	657571243	/nfs/dbraw/zinc/57/12/43/657571243.db2.gz	WAUVQLFFWAWTGG-IBGZPJMESA-N	2	1	300.446	3.090	50	10		DGCAMP
COc1ccc(O)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1	ZINC000097033262	185399826	/nfs/dbraw/zinc/39/98/26/185399826.db2.gz	LPMHQZGTYSQYFB-ZDUSSCGKSA-N	2	1	303.406	3.037	50	10		DGCAMP
Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2	ZINC000012712225	657570427	/nfs/dbraw/zinc/57/04/27/657570427.db2.gz	WAUVQLFFWAWTGG-LJQANCHMSA-N	2	1	300.446	3.090	50	10		DGCAMP
Oc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2	ZINC000012712225	657570438	/nfs/dbraw/zinc/57/04/38/657570438.db2.gz	WAUVQLFFWAWTGG-LJQANCHMSA-N	2	1	300.446	3.090	50	10		DGCAMP
Oc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2	ZINC000012712225	657570443	/nfs/dbraw/zinc/57/04/43/657570443.db2.gz	WAUVQLFFWAWTGG-LJQANCHMSA-N	2	1	300.446	3.090	50	10		DGCAMP
COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093619	1094997500	/nfs/dbraw/zinc/99/75/00/1094997500.db2.gz	NRGIZYSLKGNLLS-ZFWWWQNUSA-N	2	1	320.477	3.271	50	10		DGCAMP
COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1	ZINC000585093619	1094997510	/nfs/dbraw/zinc/99/75/10/1094997510.db2.gz	NRGIZYSLKGNLLS-ZFWWWQNUSA-N	2	1	320.477	3.271	50	10		DGCAMP
COc1ccc(O)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1	ZINC000097033263	185399863	/nfs/dbraw/zinc/39/98/63/185399863.db2.gz	LPMHQZGTYSQYFB-CYBMUJFWSA-N	2	1	303.406	3.037	50	10		DGCAMP