smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N(CC[NH3+])CC[NH3+]	1618009	166255135	/nfs/dbraw/zinc/25/51/35/166255135.db2.gz	DZFFVUPWZIKCDX-UHFFFAOYSA-N	2	0	145.206	-1.248	1	0		AAAFRP
[NH2+]=C[C@@H](O)C(=O)[C@@H](O)C([NH3+])CO	36351254	169144308	/nfs/dbraw/zinc/14/43/08/169144308.db2.gz	RIWZTNVZBPWVSW-NGJCXOISSA-N	2	0	176.172	-2.269	1	0		AAAFRP
NC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH3+])C[C@@H]1[NH3+]	40479427	169160678	/nfs/dbraw/zinc/16/06/78/169160678.db2.gz	DFHXGRZSKZZGPA-DPYQTVNSSA-N	2	0	173.216	-2.103	1	0		AAAFRP
NC(=O)[C@H]1C[C@H](O)[C@@H]([NH3+])C[C@H]1[NH3+]	27073208	169163839	/nfs/dbraw/zinc/16/38/39/169163839.db2.gz	DFHXGRZSKZZGPA-FSIIMWSLSA-N	2	0	173.216	-2.103	1	0		AAAFRP
NC(=O)[C@H]1C[C@H](O)[C@@H]([NH3+])C[C@@H]1[NH3+]	27073216	169163893	/nfs/dbraw/zinc/16/38/93/169163893.db2.gz	DFHXGRZSKZZGPA-BXKVDMCESA-N	2	0	173.216	-2.103	1	0		AAAFRP
NC(=O)[C@H]1C[C@@H](O)[C@@H]([NH3+])C[C@@H]1[NH3+]	40479424	169163928	/nfs/dbraw/zinc/16/39/28/169163928.db2.gz	DFHXGRZSKZZGPA-OMMKOOBNSA-N	2	0	173.216	-2.103	1	0		AAAFRP
NC(=O)[C@H]1C[C@H](O)[C@H]([NH3+])C[C@@H]1[NH3+]	27073215	169164262	/nfs/dbraw/zinc/16/42/62/169164262.db2.gz	DFHXGRZSKZZGPA-AZGQCCRYSA-N	2	0	173.216	-2.103	1	0		AAAFRP
NC(=O)[C@H]1C[C@H](O)[C@H]([NH3+])C[C@H]1[NH3+]	27073201	169164267	/nfs/dbraw/zinc/16/42/67/169164267.db2.gz	DFHXGRZSKZZGPA-KCDKBNATSA-N	2	0	173.216	-2.103	1	0		AAAFRP
CNC(=[NH2+])N(C)C(N)=[NH2+]	33825594	1331681287	/nfs/dbraw/zinc/68/12/87/1331681287.db2.gz	LJVNRPAERZRHDF-UHFFFAOYSA-N	2	0	129.167	-1.034	1	0		AAAFRP
[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)C(O)[C@@H]1O	1529478	560180905	/nfs/dbraw/zinc/18/09/05/560180905.db2.gz	DTFAJAKTSMLKAT-KFJBKXNJSA-N	2	0	162.189	-2.873	1	0	in-vitro	AAAFRP
[NH3+][C@H]1C[C@@H]([NH3+])[C@@H](O)C(O)[C@@H]1O	1583317	560182541	/nfs/dbraw/zinc/18/25/41/560182541.db2.gz	DTFAJAKTSMLKAT-CBPJZXOFSA-N	2	0	162.189	-2.873	1	0	in-vitro	AAAFRP
[NH3+][C@H]1C[C@@H]([NH3+])[C@@H](O)C(O)[C@H]1O	5125109	560200691	/nfs/dbraw/zinc/20/06/91/560200691.db2.gz	DTFAJAKTSMLKAT-VJTZZWJDSA-N	2	0	162.189	-2.873	1	0	in-vitro	AAAFRP
[NH3+][C@@H]1C[C@@H]([NH3+])[C@@H](O)C(O)[C@H]1O	5125110	560200722	/nfs/dbraw/zinc/20/07/22/560200722.db2.gz	DTFAJAKTSMLKAT-RSVSWTKNSA-N	2	0	162.189	-2.873	1	0	in-vitro	AAAFRP
[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)C(O)[C@H]1O	11525544	560211289	/nfs/dbraw/zinc/21/12/89/560211289.db2.gz	DTFAJAKTSMLKAT-QRXFDPRISA-N	2	0	162.189	-2.873	1	0	in-vitro	AAAFRP
[NH3+]CC1=CC[C@@H]([NH3+])[C@@H](O)O1	13438879	560216838	/nfs/dbraw/zinc/21/68/38/560216838.db2.gz	GBOGEEQLPKNDRP-RITPCOANSA-N	2	0	144.174	-1.105	1	0	in-vitro	AAAFRP