smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000013510132	523437744	/nfs/dbraw/zinc/43/77/44/523437744.db2.gz	CUJQKPIQOCCCCD-OLOMBUGUSA-N	2	1	394.559	4.811	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000013510132	523437754	/nfs/dbraw/zinc/43/77/54/523437754.db2.gz	CUJQKPIQOCCCCD-OLOMBUGUSA-N	2	1	394.559	4.811	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000013510138	523438448	/nfs/dbraw/zinc/43/84/48/523438448.db2.gz	CUJQKPIQOCCCCD-YMKSCNMDSA-N	2	1	394.559	4.811	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000013510138	523438457	/nfs/dbraw/zinc/43/84/57/523438457.db2.gz	CUJQKPIQOCCCCD-YMKSCNMDSA-N	2	1	394.559	4.811	40	30		GJEBMP
CCCCCCCC[NH+](CCO)CCC[N@H+](CCO)CCCCCCCC	ZINC000100923875	211394813	/nfs/dbraw/zinc/39/48/13/211394813.db2.gz	VJWNKZBMXNLXCY-UHFFFAOYSA-N	2	1	386.665	4.686	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000004729025	570991269	/nfs/dbraw/zinc/99/12/69/570991269.db2.gz	CUJQKPIQOCCCCD-NOCVOGCJSA-N	2	1	394.559	4.811	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000004729025	570991273	/nfs/dbraw/zinc/99/12/73/570991273.db2.gz	CUJQKPIQOCCCCD-NOCVOGCJSA-N	2	1	394.559	4.811	40	30		GJEBMP
CCCCCCCCCCCOc1cccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1	ZINC000001609236	209333850	/nfs/dbraw/zinc/33/38/50/209333850.db2.gz	QPXDTEXOMMULLS-UHFFFAOYSA-N	2	1	387.572	4.782	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000004729026	570991499	/nfs/dbraw/zinc/99/14/99/570991499.db2.gz	CUJQKPIQOCCCCD-IXJZBSLMSA-N	2	1	394.559	4.811	40	30		GJEBMP
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000004729026	570991500	/nfs/dbraw/zinc/99/15/00/570991500.db2.gz	CUJQKPIQOCCCCD-IXJZBSLMSA-N	2	1	394.559	4.811	40	30		GJEBMP
CCCCCCCCC[C@@H](C)CC(=O)NCCC[N@@H+](C)CCCC[NH+](C)C	ZINC000085972617	520029383	/nfs/dbraw/zinc/02/93/83/520029383.db2.gz	RLDPSVAZXJQOAE-JOCHJYFZSA-N	2	1	383.665	4.933	40	30		GJEBMP
CCCCCCCCC[C@H](C)CC(=O)NCCC[N@@H+](C)CCCC[NH+](C)C	ZINC000085972618	520031254	/nfs/dbraw/zinc/03/12/54/520031254.db2.gz	RLDPSVAZXJQOAE-QFIPXVFZSA-N	2	1	383.665	4.933	40	30		GJEBMP