smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1c2ccc(cc3ccc(cc4ccc(cc5ccc1[nH]5)n4)[nH]3)n2	ZINC000100008209	563877672	/nfs/dbraw/zinc/87/76/72/563877672.db2.gz	RKCAIXNGYQCCAL-UHFFFAOYSA-N	0	1	310.360	4.870	50	5	in-vitro	DJBAMN
O=[N+]([O-])c1ccccc1Nc1nc(-c2cccs2)cs1	ZINC000005064468	181199871	/nfs/dbraw/zinc/19/98/71/181199871.db2.gz	ZCOZROUCWHRURE-UHFFFAOYSA-N	0	1	303.368	4.523	50	5		DJBAMN
C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036753867	563903962	/nfs/dbraw/zinc/90/39/62/563903962.db2.gz	IASBMPBMWUVNSZ-ZDUSSCGKSA-N	0	1	310.353	4.534	50	5		DJBAMN
Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1	ZINC000084190203	563824700	/nfs/dbraw/zinc/82/47/00/563824700.db2.gz	CNNVFYQYVOBXGM-AWEZNQCLSA-N	0	1	324.380	4.809	50	5		DJBAMN
Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1	ZINC000084190205	563824904	/nfs/dbraw/zinc/82/49/04/563824904.db2.gz	CNNVFYQYVOBXGM-CQSZACIVSA-N	0	1	324.380	4.809	50	5		DJBAMN
C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036753869	563904022	/nfs/dbraw/zinc/90/40/22/563904022.db2.gz	IASBMPBMWUVNSZ-CYBMUJFWSA-N	0	1	310.353	4.534	50	5		DJBAMN
O=[N+]([O-])c1ccccc1Nc1nc(-c2ccc(F)cc2)cs1	ZINC000005065198	181200049	/nfs/dbraw/zinc/20/00/49/181200049.db2.gz	IRUBIUTWZRWMDD-UHFFFAOYSA-N	0	1	315.329	4.601	50	5		DJBAMN
Cc1oc2cc(Sc3ccccc3)c(O)cc2c1[N+](=O)[O-]	ZINC000005531677	563332414	/nfs/dbraw/zinc/33/24/14/563332414.db2.gz	OXWZUNJAHNLNTL-UHFFFAOYSA-N	0	1	301.323	4.506	50	5		DJBAMN