smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)[N-]C(=O)C(=CN)C1=O	104134360	343728955	/nfs/dbraw/zinc/72/89/55/343728955.db2.gz	BDFURBAMTKDIJB-NSCUHMNNSA-N	-1	0	169.140	-1.463	40	10		AACBRM
CCN1C(=O)[N-]C(=O)C(=CN)C1=O	104134368	167198098	/nfs/dbraw/zinc/19/80/98/167198098.db2.gz	DXGPJACBJMOQKD-ONEGZZNKSA-N	-1	0	183.167	-1.073	40	10		AACBRM
CCN1C(=O)[N-]C(=O)C(=CN)C1=O	104134364	167198522	/nfs/dbraw/zinc/19/85/22/167198522.db2.gz	DXGPJACBJMOQKD-ARJAWSKDSA-N	-1	0	183.167	-1.073	40	10		AACBRM
CN1C(=O)[N-]C(=O)C(=CN)C1=O	104134355	167895714	/nfs/dbraw/zinc/89/57/14/167895714.db2.gz	BDFURBAMTKDIJB-IHWYPQMZSA-N	-1	0	169.140	-1.463	40	10		AACBRM
N#[N+]c1c([O-])[nH]c(=O)[n-]c1=O	4071678	169468826	/nfs/dbraw/zinc/46/88/26/169468826.db2.gz	HBZLKQCYQCZGAN-UHFFFAOYSA-N	-1	0	154.085	-1.137	40	10		AACBRM
CN(C)C=C1C(=O)[N-]C(=O)NC1=O	1673695	342956800	/nfs/dbraw/zinc/95/68/00/342956800.db2.gz	IFJJJQASQZGSAC-UHFFFAOYSA-N	-1	0	183.167	-1.202	40	10		AACBRM
O=C1[N-]C(=O)C(=CNCCO)C(=O)N1	6854839	351354128	/nfs/dbraw/zinc/35/41/28/351354128.db2.gz	BPKIUIUGKYPZRQ-UHFFFAOYSA-N	-1	0	199.166	-2.182	40	10		AACBRM