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(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000514301949	1066371594	/nfs/dbraw/zinc/37/15/94/1066371594.db2.gz	IWNANLJFCNCRAY-UHFFFAOYSA-N	1	1	573.719	3.720	20	5		KHBDMO
COc1cc(CNC2CC[NH+](C)CC2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000514384821	1066412164	/nfs/dbraw/zinc/41/21/64/1066412164.db2.gz	YPQTUXHRGKWGTF-UHFFFAOYSA-N	1	1	518.636	3.754	20	5		KHBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c([N+](=O)[O-])c1	ZINC000514393309	1066464950	/nfs/dbraw/zinc/46/49/50/1066464950.db2.gz	WHMSZNHBVLGRKJ-UHFFFAOYSA-N	1	1	557.717	3.576	20	5		KHBDMO
CC(=O)N1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)cc2[N+](=O)[O-])CC1	ZINC000514395181	1066474291	/nfs/dbraw/zinc/47/42/91/1066474291.db2.gz	DXKFVIMIJBGXBL-UHFFFAOYSA-N	1	1	533.551	3.630	20	5		KHBDMO
Cc1nn(Cc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CC[NH+](C)CC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000514403315	1066456285	/nfs/dbraw/zinc/45/62/85/1066456285.db2.gz	SQOZMKZVOKHLCS-UHFFFAOYSA-N	1	1	595.726	3.635	20	5		KHBDMO