smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216858730	557158113	/nfs/dbraw/zinc/15/81/13/557158113.db2.gz	CWAMWFRGCMXJCI-UHFFFAOYSA-N	1	1	437.610	0.298	40	70		ICIBMO
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000216864701	557159364	/nfs/dbraw/zinc/15/93/64/557159364.db2.gz	ASTGUMSEXKCKLZ-UHFFFAOYSA-N	1	1	437.610	0.298	40	70		ICIBMO
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCOCC3)c2)CC1	ZINC000216879027	557160883	/nfs/dbraw/zinc/16/08/83/557160883.db2.gz	DZBAUBOBOLSBNQ-UHFFFAOYSA-N	1	1	444.985	0.728	40	70		ICIBMO
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)CC1	ZINC000216887801	557161983	/nfs/dbraw/zinc/16/19/83/557161983.db2.gz	HEXLBNDOPFQWFR-UHFFFAOYSA-N	1	1	437.610	0.131	40	70		ICIBMO
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2)cc1	ZINC000216949432	557165058	/nfs/dbraw/zinc/16/50/58/557165058.db2.gz	VRDISGDHMOESMX-GOSISDBHSA-N	1	1	438.594	0.850	40	70		ICIBMO
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2)cc1	ZINC000216949455	557165094	/nfs/dbraw/zinc/16/50/94/557165094.db2.gz	VRDISGDHMOESMX-SFHVURJKSA-N	1	1	438.594	0.850	40	70		ICIBMO
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCOCC1	ZINC000217562614	557171389	/nfs/dbraw/zinc/17/13/89/557171389.db2.gz	QRXRUVLSCRTADO-DLBZAZTESA-N	1	1	426.517	0.704	40	70		ICIBMO