smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(-n2c(C)ccc2C)cc1	ZINC000000977547	342942648	/nfs/dbraw/zinc/94/26/48/342942648.db2.gz	BPLGTDRZXWBASB-UHFFFAOYSA-N	0	0	199.297	3.657	50	10		AHCARN
Cc1ccc(C)n1-c1ccc(C)c(C)c1	ZINC000003186087	342981854	/nfs/dbraw/zinc/98/18/54/342981854.db2.gz	QSXYGOZVXATBIK-UHFFFAOYSA-N	0	0	199.297	3.711	50	10		AHCARN
O=C1C=CC(=NNc2ccccc2)C=C1	ZINC000012359059	343029050	/nfs/dbraw/zinc/02/90/50/343029050.db2.gz	BEYOBVMPDRKTNR-UHFFFAOYSA-N	0	0	198.225	3.808	50	10		AHCARN
c1ccc(/N=N/Nc2ccccc2)cc1	ZINC000018044027	351383527	/nfs/dbraw/zinc/38/35/27/351383527.db2.gz	ALIFPGGMJDWMJH-UHFFFAOYSA-N	0	0	197.241	3.797	50	10		AHCARN
Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000018060741	169290627	/nfs/dbraw/zinc/29/06/27/169290627.db2.gz	QPQKUYVSJWQSDY-CCEZHUSRSA-N	0	0	197.241	3.684	50	10	in-vitro	AHCARN
O=[N+]([N-]c1ccccc1)c1ccccc1	ZINC000018117704	171033105	/nfs/dbraw/zinc/03/31/05/171033105.db2.gz	GAUZCKBSTZFWCT-YPKPFQOOSA-N	0	0	198.225	3.612	50	10	in-vitro	AHCARN
Cc1ccc(C)n1-c1cc(C)cc(C)c1	ZINC000032009782	168743971	/nfs/dbraw/zinc/74/39/71/168743971.db2.gz	VOPJKGKCDWFVCZ-UHFFFAOYSA-N	0	0	199.297	3.711	50	10		AHCARN
O=C1C=CC(=NNc2ccccc2)C=C1	ZINC000100010406	409441140	/nfs/dbraw/zinc/44/11/40/409441140.db2.gz	BEYOBVMPDRKTNR-BUHFOSPRSA-N	0	0	198.225	3.808	50	10	in-vitro	AHCARN
O=[N+]([N-]c1ccccc1)c1ccccc1	ZINC000100017510	343708788	/nfs/dbraw/zinc/70/87/88/343708788.db2.gz	GAUZCKBSTZFWCT-BUHFOSPRSA-N	0	0	198.225	3.612	50	10	in-vitro	AHCARN
O=[N+]([N-]c1ccccc1)c1ccccc1	ZINC000100501879	351698685	/nfs/dbraw/zinc/69/86/85/351698685.db2.gz	GAUZCKBSTZFWCT-UHFFFAOYSA-N	0	0	198.225	3.612	50	10		AHCARN
CCN(CC)c1ccc(N=N)c(C)c1	ZINC000101013803	167176725	/nfs/dbraw/zinc/17/67/25/167176725.db2.gz	KTZVBDUWDXUASA-UHFFFAOYSA-N	0	0	191.278	3.504	50	10		AHCARN