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)OCCN2CCCC2)c2nc3c(C(=O)OCCN4CCCC4)c(N)c(=O)c(C)c-3oc12	ZINC000005179273	552494150	/nfs/dbraw/zinc/49/41/50/552494150.db2.gz	UDBHSEJKQGDDEZ-UHFFFAOYSA-N	0	3	522.602	2.997	40	5		KFBBHN
Cc1ccc(C(=O)NCCN2CCCCC2)c2nc3c(C(=O)NCCN4CCCCC4)c(N)c(=O)c(C)c-3oc12	ZINC000005179276	552494193	/nfs/dbraw/zinc/49/41/93/552494193.db2.gz	PCUREEZSFDYAGX-UHFFFAOYSA-N	0	3	548.688	2.923	40	5		KFBBHN
CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000026275413	561778098	/nfs/dbraw/zinc/77/80/98/561778098.db2.gz	ZIBIVIRBYMBEHZ-NDEPHWFRSA-N	0	3	682.873	2.938	40	5	in-vitro	KFBBHN
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000113631994	571441859	/nfs/dbraw/zinc/44/18/59/571441859.db2.gz	CGSHINIQRKBRRG-UHFFFAOYSA-N	0	3	554.069	2.514	40	5		KFBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000408606130	572274720	/nfs/dbraw/zinc/27/47/20/572274720.db2.gz	OLRQRJDHBYQMDC-YCRREMRBSA-N	0	3	523.502	2.829	40	5		KFBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409331290	1059726537	/nfs/dbraw/zinc/72/65/37/1059726537.db2.gz	NUISVGQSLUXYQN-VMPITWQZSA-N	0	3	504.433	2.959	40	5		KFBBHN