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+]1CCN(S(=O)(=O)c2ccc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000035292529	569679706	/nfs/dbraw/zinc/67/97/06/569679706.db2.gz	ONXHSZDJQIECIJ-UHFFFAOYSA-N	2	2	491.589	2.382	50	5		JEBALP
C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000035292529	569679707	/nfs/dbraw/zinc/67/97/07/569679707.db2.gz	ONXHSZDJQIECIJ-UHFFFAOYSA-N	2	2	491.589	2.382	50	5		JEBALP
COc1cccc([C@@H](CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])[NH+](C)C)c1	ZINC000013112832	556315354	/nfs/dbraw/zinc/31/53/54/556315354.db2.gz	AUJQIXXCGAHMJS-JOCHJYFZSA-N	2	2	477.587	2.254	50	5		JEBALP
COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000012696593	195090377	/nfs/dbraw/zinc/09/03/77/195090377.db2.gz	YOHTVXLRMSQMDJ-JOCHJYFZSA-N	2	2	477.587	2.254	50	5		JEBALP
CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036256333	520680811	/nfs/dbraw/zinc/68/08/11/520680811.db2.gz	LZGNUYDXSUJGQU-QFIPXVFZSA-N	2	2	459.591	2.369	50	5		JEBALP
COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000012696598	195090351	/nfs/dbraw/zinc/09/03/51/195090351.db2.gz	YOHTVXLRMSQMDJ-QFIPXVFZSA-N	2	2	477.587	2.254	50	5		JEBALP
COc1cccc([C@H](CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])[NH+](C)C)c1	ZINC000013112833	556315297	/nfs/dbraw/zinc/31/52/97/556315297.db2.gz	AUJQIXXCGAHMJS-QFIPXVFZSA-N	2	2	477.587	2.254	50	5		JEBALP
CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036256331	520678893	/nfs/dbraw/zinc/67/88/93/520678893.db2.gz	LZGNUYDXSUJGQU-JOCHJYFZSA-N	2	2	459.591	2.369	50	5		JEBALP