smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164685290	719652199	/nfs/dbraw/zinc/65/21/99/719652199.db2.gz	ZAVJOJCRTIXSCH-UHFFFAOYSA-N	2	1	486.576	4.394	20	5		JIBDMP
CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164685290	719652203	/nfs/dbraw/zinc/65/22/03/719652203.db2.gz	ZAVJOJCRTIXSCH-UHFFFAOYSA-N	2	1	486.576	4.394	20	5		JIBDMP
NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1	ZINC001321653488	1067191140	/nfs/dbraw/zinc/19/11/40/1067191140.db2.gz	LBRHRUAQCWLQDO-LJQANCHMSA-N	2	1	482.968	4.495	20	5		JIBDMP
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1	ZINC001321653488	1067191149	/nfs/dbraw/zinc/19/11/49/1067191149.db2.gz	LBRHRUAQCWLQDO-LJQANCHMSA-N	2	1	482.968	4.495	20	5		JIBDMP
Cc1ccc(-c2nc3sccc3c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1[N+](=O)[O-]	ZINC001164680532	719640723	/nfs/dbraw/zinc/64/07/23/719640723.db2.gz	UXNVBFVXRILVED-UHFFFAOYSA-N	2	1	477.594	4.247	20	5		JIBDMP
Cc1ccc(-c2nc3sccc3c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1[N+](=O)[O-]	ZINC001164680532	719640733	/nfs/dbraw/zinc/64/07/33/719640733.db2.gz	UXNVBFVXRILVED-UHFFFAOYSA-N	2	1	477.594	4.247	20	5		JIBDMP
CC(C)[N@H+](C)Cc1nn(-c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164682614	719623098	/nfs/dbraw/zinc/62/30/98/719623098.db2.gz	OODLYSCLELQLLB-UHFFFAOYSA-N	2	1	474.924	4.246	20	5		JIBDMP
CC(C)[N@@H+](C)Cc1nn(-c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164682614	719623109	/nfs/dbraw/zinc/62/31/09/719623109.db2.gz	OODLYSCLELQLLB-UHFFFAOYSA-N	2	1	474.924	4.246	20	5		JIBDMP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	ZINC001318348435	1067027928	/nfs/dbraw/zinc/02/79/28/1067027928.db2.gz	LBENPYFPXBRRHK-UHFFFAOYSA-N	2	1	456.930	4.089	20	5		JIBDMP
NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1	ZINC001321653484	1067190551	/nfs/dbraw/zinc/19/05/51/1067190551.db2.gz	LBRHRUAQCWLQDO-IBGZPJMESA-N	2	1	482.968	4.495	20	5		JIBDMP
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1	ZINC001321653484	1067190605	/nfs/dbraw/zinc/19/06/05/1067190605.db2.gz	LBRHRUAQCWLQDO-IBGZPJMESA-N	2	1	482.968	4.495	20	5		JIBDMP
CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1	ZINC001318348642	1067028051	/nfs/dbraw/zinc/02/80/51/1067028051.db2.gz	PBXOOLXIVNRMLV-UHFFFAOYSA-N	2	1	496.615	4.485	20	5		JIBDMP