smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173520939	375248204	/nfs/dbraw/zinc/24/82/04/375248204.db2.gz	QGMXTMDTPAKIFQ-ZDUSSCGKSA-N	2	2	340.384	-1.142	20	5		EABDLP
C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173520954	415317961	/nfs/dbraw/zinc/31/79/61/415317961.db2.gz	QGMXTMDTPAKIFQ-CYBMUJFWSA-N	2	2	340.384	-1.142	20	5		EABDLP
C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000593052164	374458066	/nfs/dbraw/zinc/45/80/66/374458066.db2.gz	OEXCITPNDRHJMB-CYBMUJFWSA-N	2	2	340.384	-1.142	20	5		EABDLP
C[NH+](C)CCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000593052164	374458060	/nfs/dbraw/zinc/45/80/60/374458060.db2.gz	OEXCITPNDRHJMB-CYBMUJFWSA-N	2	2	340.384	-1.142	20	5		EABDLP
C[NH+](C)CCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000593052174	374458364	/nfs/dbraw/zinc/45/83/64/374458364.db2.gz	OEXCITPNDRHJMB-ZDUSSCGKSA-N	2	2	340.384	-1.142	20	5		EABDLP
C[NH+](C)CCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000593052174	374458360	/nfs/dbraw/zinc/45/83/60/374458360.db2.gz	OEXCITPNDRHJMB-ZDUSSCGKSA-N	2	2	340.384	-1.142	20	5		EABDLP