smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(N3CCOCC3)n(CCNC3=[NH+]CCCCC3)c2c(=O)n(C)c1=O	ZINC000001068182	527123329	/nfs/dbraw/zinc/12/33/29/527123329.db2.gz	NXGZPRNYVOUPMD-UHFFFAOYSA-N	1	0	403.487	-0.168	50	30		HBEARO
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH3+])C(C)(C)C	ZINC000003870891	568737206	/nfs/dbraw/zinc/73/72/06/568737206.db2.gz	LMIQCBIEAHJAMZ-GZBFAFLISA-N	1	0	415.535	-0.345	50	30	in-vitro	HBEARO
Cn1c2nc(N3CCOCC3)n(CCC/[NH+]=C/N3CCOCC3)c2c(=O)n(C)c1=O	ZINC000008659785	527122955	/nfs/dbraw/zinc/12/29/55/527122955.db2.gz	NEPZBKWXFNKJMO-XSFVSMFZSA-N	1	0	419.486	-0.979	50	30		HBEARO
CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)(c1nc(NN)[nH+]c(NN)n1)[N+](=O)[O-]	ZINC000013892861	558599926	/nfs/dbraw/zinc/59/99/26/558599926.db2.gz	ZRHIUTMJZXUYJL-UHFFFAOYSA-N	1	0	400.396	-0.402	50	30		HBEARO
Cc1cc(C)nc(NC(=[NH2+])N2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)n1	ZINC000054263505	524575753	/nfs/dbraw/zinc/57/57/53/524575753.db2.gz	HWORNXARAZSHSH-UHFFFAOYSA-N	1	0	412.458	-0.864	50	30		HBEARO