smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(O)c(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1	ZINC000180089813	525663651	/nfs/dbraw/zinc/66/36/51/525663651.db2.gz	UKKYHSAJGWZUFS-LJQANCHMSA-N	2	2	363.502	1.628	10	10		FDCELP
COc1ccc(O)c(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1	ZINC000180089813	525663672	/nfs/dbraw/zinc/66/36/72/525663672.db2.gz	UKKYHSAJGWZUFS-LJQANCHMSA-N	2	2	363.502	1.628	10	10		FDCELP
C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH+](CCn2cccn2)CC1	ZINC000121232849	524195926	/nfs/dbraw/zinc/19/59/26/524195926.db2.gz	ZOKCWOMRDAHWAP-UHFFFAOYSA-N	2	2	358.442	1.914	10	10		FDCELP
C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH+](CCn2cccn2)CC1	ZINC000121232849	524195939	/nfs/dbraw/zinc/19/59/39/524195939.db2.gz	ZOKCWOMRDAHWAP-UHFFFAOYSA-N	2	2	358.442	1.914	10	10		FDCELP
COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1O	ZINC000121058177	524139794	/nfs/dbraw/zinc/13/97/94/524139794.db2.gz	PNQHCYTUYXCEIU-GOSISDBHSA-N	2	2	363.502	1.628	10	10		FDCELP
CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(F)ccc3O)CC2)C1	ZINC000180101625	672169641	/nfs/dbraw/zinc/16/96/41/672169641.db2.gz	WBRUDNURRYFYQA-GOSISDBHSA-N	2	2	351.466	1.758	10	10		FDCELP
COc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1O	ZINC000121058339	524140104	/nfs/dbraw/zinc/14/01/04/524140104.db2.gz	PNQHCYTUYXCEIU-SFHVURJKSA-N	2	2	363.502	1.628	10	10		FDCELP
CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(F)ccc3O)CC2)C1	ZINC000180101648	672169739	/nfs/dbraw/zinc/16/97/39/672169739.db2.gz	WBRUDNURRYFYQA-SFHVURJKSA-N	2	2	351.466	1.758	10	10		FDCELP
C/C=C/C[C@@H](C)[C@@H](O)[C@H](C(=O)C(=O)[C@@H]([NH2+]CCCC)[C@@H](C)O)[NH+](C)C	ZINC000077286302	523285394	/nfs/dbraw/zinc/28/53/94/523285394.db2.gz	ARAWUIIVYIOWII-XHANDISLSA-N	2	2	356.507	1.157	10	10	in-vitro	FDCELP
C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(=O)[C@@H]([NH2+]CCCC)[C@@H](C)O)[NH+](C)C	ZINC000077286303	523284230	/nfs/dbraw/zinc/28/42/30/523284230.db2.gz	ARAWUIIVYIOWII-YPZJCNLSSA-N	2	2	356.507	1.157	10	10	in-vitro	FDCELP
COc1ccc(O)c(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1	ZINC000180089831	525663767	/nfs/dbraw/zinc/66/37/67/525663767.db2.gz	UKKYHSAJGWZUFS-IBGZPJMESA-N	2	2	363.502	1.628	10	10		FDCELP
COc1ccc(O)c(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1	ZINC000180089831	525663778	/nfs/dbraw/zinc/66/37/78/525663778.db2.gz	UKKYHSAJGWZUFS-IBGZPJMESA-N	2	2	363.502	1.628	10	10		FDCELP