smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)CN1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1	ZINC000022358669	518888134	/nfs/dbraw/zinc/88/81/34/518888134.db2.gz	NNHYLCOCOVTMEH-UHFFFAOYSA-N	1	2	489.642	-0.072	50	30		JBEALO
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)CC1	ZINC000023254162	556035675	/nfs/dbraw/zinc/03/56/75/556035675.db2.gz	IMJAFDSHTMATOF-UHFFFAOYSA-N	1	2	474.587	-0.713	50	30		JBEALO
CC(C)[C@H]1NC(=O)CCNc2cc([nH+]c(NCc3ccccn3)n2)CCNC(=O)[C@H](C)NC1=O	ZINC000952970951	1068630890	/nfs/dbraw/zinc/63/08/90/1068630890.db2.gz	MSBIRVFELMARTG-MGPUTAFESA-N	1	2	468.562	-0.032	50	30		JBEALO
CC(C)[C@H]1NC(=O)CCNc2cc([nH+]c(NC[C@@H]3CCCO3)n2)CCNC(=O)[C@H](C)NC1=O	ZINC000952974129	1068630641	/nfs/dbraw/zinc/63/06/41/1068630641.db2.gz	TXPXUANADDBJDZ-URLQWDBASA-N	1	2	461.567	-0.448	50	30		JBEALO