smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCO[C@H]1CN(C)c2c([N+](=O)[O-])c(=O)[nH]c(=O)n21	ZINC000584658740	374376388	/nfs/dbraw/zinc/37/63/88/374376388.db2.gz	MKRCBOLMBHHJAR-YFKPBYRVSA-N	0	2	256.218	-0.158	10	5		CBBELN
O=C(N[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000597858427	355423425	/nfs/dbraw/zinc/42/34/25/355423425.db2.gz	YFAGVKVKCYGVGO-SSDOTTSWSA-N	0	2	265.225	-0.081	10	5		CBBELN
CCO[C@@H]1CN(C)c2c([N+](=O)[O-])c(=O)[nH]c(=O)n21	ZINC000584658739	374376666	/nfs/dbraw/zinc/37/66/66/374376666.db2.gz	MKRCBOLMBHHJAR-RXMQYKEDSA-N	0	2	256.218	-0.158	10	5		CBBELN
O=C(N[C@@H]1CCNC1=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000597858016	355423583	/nfs/dbraw/zinc/42/35/83/355423583.db2.gz	XERPYHMPIJZHAF-MRVPVSSYSA-N	0	2	265.225	-0.081	10	5		CBBELN