smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NC1CC[NH+](C)CC1	ZINC000216836264	568468050	/nfs/dbraw/zinc/46/80/50/568468050.db2.gz	ZGXPUFNJOKMENB-UHFFFAOYSA-N	1	0	411.524	0.605	40	70		HCIBRO
COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)c(Cl)c1	ZINC000216838262	568468101	/nfs/dbraw/zinc/46/81/01/568468101.db2.gz	IAISFFQAENVJBQ-UHFFFAOYSA-N	1	0	419.931	0.854	40	70		HCIBRO
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+](C)C)c2)CC1	ZINC000216879259	568468979	/nfs/dbraw/zinc/46/89/79/568468979.db2.gz	DBOBIYVFBNIQJA-UHFFFAOYSA-N	1	0	402.948	0.958	40	70		HCIBRO
COc1ccc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1C(=O)NC(C)C	ZINC000216949925	568469699	/nfs/dbraw/zinc/46/96/99/568469699.db2.gz	RJLGGAMZVJOFCV-UHFFFAOYSA-N	1	0	412.556	0.749	40	70		HCIBRO
CCS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)Oc2ccccc21	ZINC000216950017	568469744	/nfs/dbraw/zinc/46/97/44/568469744.db2.gz	PDJBTKMEIVACIW-SFHVURJKSA-N	1	0	410.540	0.357	40	70		HCIBRO
CCS(=O)(=O)N1C[C@H](C(=O)NCCCN2CC[NH+](C)CC2)Oc2ccccc21	ZINC000216950037	568469793	/nfs/dbraw/zinc/46/97/93/568469793.db2.gz	PDJBTKMEIVACIW-GOSISDBHSA-N	1	0	410.540	0.357	40	70		HCIBRO
C[NH+]1CCN(CCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000217030823	568470399	/nfs/dbraw/zinc/47/03/99/568470399.db2.gz	XVJQSRZHXYALRL-UHFFFAOYSA-N	1	0	408.524	0.365	40	70		HCIBRO
Cn1c(=O)c(Br)c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n(C)c1=O	ZINC000217568332	568472788	/nfs/dbraw/zinc/47/27/88/568472788.db2.gz	ZXJNENROZSZZCW-NWDGAFQWSA-N	1	0	421.295	0.628	40	70		HCIBRO