smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=[NH+]/NC(=S)NN2CCN(NC(=S)N/[NH+]=C\c3ccc(N(C)C)cc3)CC2)cc1	ZINC000038796255	554277913	/nfs/dbraw/zinc/27/79/13/554277913.db2.gz	DJMATXVVJBEHPV-WTHRLWDASA-N	2	2	526.740	1.562	40	30		KDEBLP
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000408945894	1066398114	/nfs/dbraw/zinc/39/81/14/1066398114.db2.gz	HVZJJYUPLYXWRP-AVMFPXLXSA-N	2	2	611.656	1.867	40	30		KDEBLP
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000408945900	1066398145	/nfs/dbraw/zinc/39/81/45/1066398145.db2.gz	HVZJJYUPLYXWRP-PSTCCKRPSA-N	2	2	611.656	1.867	40	30		KDEBLP
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000408945903	1066398379	/nfs/dbraw/zinc/39/83/79/1066398379.db2.gz	HVZJJYUPLYXWRP-XQGAZVOYSA-N	2	2	611.656	1.867	40	30		KDEBLP
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000408945907	1066398189	/nfs/dbraw/zinc/39/81/89/1066398189.db2.gz	HVZJJYUPLYXWRP-ZXLOOTFSSA-N	2	2	611.656	1.867	40	30		KDEBLP