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)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216795602	241213552	/nfs/dbraw/zinc/21/35/52/241213552.db2.gz	ITVJWMIBGUVGSN-UHFFFAOYSA-N	1	2	326.422	0.716	40	70		ECIBLO
CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216782967	535438203	/nfs/dbraw/zinc/43/82/03/535438203.db2.gz	YDEQWKXTTMYPDZ-UHFFFAOYSA-N	1	2	341.433	0.381	40	70		ECIBLO
Cc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855987	241214268	/nfs/dbraw/zinc/21/42/68/241214268.db2.gz	ZEWYNGIFBBOZAY-UHFFFAOYSA-N	1	2	337.445	0.823	40	70		ECIBLO
Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853666	301493081	/nfs/dbraw/zinc/49/30/81/301493081.db2.gz	UISGVMCEEXQNOT-UHFFFAOYSA-N	1	2	325.434	0.633	40	70		ECIBLO
Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H]([NH+]3CCOCC3)C2)s1	ZINC000216722374	568418332	/nfs/dbraw/zinc/41/83/32/568418332.db2.gz	JMURIHZLFVURMY-CHWSQXEVSA-N	1	2	325.434	0.206	40	70		ECIBLO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NS(C)(=O)=O	ZINC000216844465	241216172	/nfs/dbraw/zinc/21/61/72/241216172.db2.gz	OSZSJIXKVOINHC-UHFFFAOYSA-N	1	2	327.406	0.454	40	70		ECIBLO
CCS(=O)(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000216844507	241215846	/nfs/dbraw/zinc/21/58/46/241215846.db2.gz	WUMRLFQNRLEYRZ-UHFFFAOYSA-N	1	2	341.433	0.844	40	70		ECIBLO
CCNC(=O)c1ccc(N2CC[NH+](C)CC2)c(S(=O)(=O)NC)c1	ZINC000216789193	564033899	/nfs/dbraw/zinc/03/38/99/564033899.db2.gz	KDNIAPLYXAOMEO-UHFFFAOYSA-N	1	2	340.449	0.096	40	70		ECIBLO
CCNS(=O)(=O)c1cc(C(=O)NC)ccc1N1CC[NH+](C)CC1	ZINC000216792426	564033922	/nfs/dbraw/zinc/03/39/22/564033922.db2.gz	QBTSIUACOMKQLH-UHFFFAOYSA-N	1	2	340.449	0.096	40	70		ECIBLO
CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216853320	241214390	/nfs/dbraw/zinc/21/43/90/241214390.db2.gz	FREQFZZZPXUEGB-UHFFFAOYSA-N	1	2	325.434	0.681	40	70		ECIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC1CC1	ZINC000216862247	241215402	/nfs/dbraw/zinc/21/54/02/241215402.db2.gz	WNBZQDOUEBAQPQ-UHFFFAOYSA-N	1	2	337.445	0.823	40	70		ECIBLO