smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc(/C=[NH+]/CCCC/[NH+]=C\c2ccc(Cl)cc2)cc1	ZINC000005671888	526938231	/nfs/dbraw/zinc/93/82/31/526938231.db2.gz	CWGFYCFZQFABTB-VOKWCDJLSA-N	2	2	333.262	5.312	50	30		EKEALP
Cc1ccccc1[NH+]=C1NC(=[NH+]c2ccccc2C)c2ccccc21	ZINC000006079606	563558706	/nfs/dbraw/zinc/55/87/06/563558706.db2.gz	GLRLYVKHSBPQTR-UHFFFAOYSA-N	2	2	325.415	5.254	50	30		EKEALP
Cc1ccc(/[NH+]=C2/c3ccccc3/C(=[NH+]/c3ccc(C)cc3)N2C)cc1	ZINC000016739217	564113005	/nfs/dbraw/zinc/11/30/05/564113005.db2.gz	WCAMDLITABAIDT-HKOLQMFGSA-N	2	2	339.442	5.405	50	30		EKEALP
Clc1ccc(/C=[NH+]/CCCC/[NH+]=C/c2ccc(Cl)cc2)cc1	ZINC000100969233	219112985	/nfs/dbraw/zinc/11/29/85/219112985.db2.gz	CWGFYCFZQFABTB-JFMUQQRKSA-N	2	2	333.262	5.312	50	30		EKEALP
Clc1ccc(/C=[NH+]\CCCC/[NH+]=C\c2ccc(Cl)cc2)cc1	ZINC000103906626	564023338	/nfs/dbraw/zinc/02/33/38/564023338.db2.gz	CWGFYCFZQFABTB-JZTLMNBPSA-N	2	2	333.262	5.312	50	30		EKEALP
CCCCCCC[NH+]1C=CC(=C/C=C2\c3ccccc3[NH+]=C2C)C=C1	ZINC000367729167	564133769	/nfs/dbraw/zinc/13/37/69/564133769.db2.gz	RODAKDRVZSMMNA-BKUYFWCQSA-N	2	2	332.491	6.416	50	30		EKEALP
CCCCCCC[NH+]1C=CC(=C/C=C2/c3ccccc3[NH+]=C2C)C=C1	ZINC000367729168	520052254	/nfs/dbraw/zinc/05/22/54/520052254.db2.gz	RODAKDRVZSMMNA-FYJGNVAPSA-N	2	2	332.491	6.416	50	30		EKEALP