smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(CCC(=O)[O-])c2cc1C	ZINC000043763980	571101203	/nfs/dbraw/zinc/10/12/03/571101203.db2.gz	PUXJFVSSOFFDHC-CLCOLTQESA-N	0	2	366.461	4.524	50	5	in-vitro	FJBALN
CC[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H](CC)c1ccc(O)c([N+](=O)[O-])c1	ZINC000019909197	211261869	/nfs/dbraw/zinc/26/18/69/211261869.db2.gz	BXTFSGKMQHFUMN-OKILXGFUSA-N	0	2	360.366	4.602	50	5		FJBALN
CC[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H](CC)c1ccc(O)c([N+](=O)[O-])c1	ZINC000003122439	571344908	/nfs/dbraw/zinc/34/49/08/571344908.db2.gz	BXTFSGKMQHFUMN-ZIAGYGMSSA-N	0	2	360.366	4.602	50	5		FJBALN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1N=C2c1ccccc1	ZINC000004018201	571353960	/nfs/dbraw/zinc/35/39/60/571353960.db2.gz	HQZVBHYPRAXBHZ-UHFFFAOYSA-N	0	2	360.329	4.729	50	5		FJBALN
O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccc(O)cc3)c(-c3ccccc3)[nH]2)c1	ZINC000000999182	571142148	/nfs/dbraw/zinc/14/21/48/571142148.db2.gz	XJTFMQXMJFNRKX-UHFFFAOYSA-N	0	2	373.368	4.730	50	5		FJBALN
O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)c1	ZINC000000999182	571142152	/nfs/dbraw/zinc/14/21/52/571142152.db2.gz	XJTFMQXMJFNRKX-UHFFFAOYSA-N	0	2	373.368	4.730	50	5		FJBALN
CC[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](CC)c1ccc(O)c([N+](=O)[O-])c1	ZINC000003122436	571344872	/nfs/dbraw/zinc/34/48/72/571344872.db2.gz	BXTFSGKMQHFUMN-KBPBESRZSA-N	0	2	360.366	4.602	50	5		FJBALN
O=c1c2sc3ccc([N+](=O)[O-])cc3c2[nH]c(=S)n1C1CCCCC1	ZINC000102724033	570836004	/nfs/dbraw/zinc/83/60/04/570836004.db2.gz	XOCLUAYHDPVBQP-UHFFFAOYSA-N	0	2	361.448	4.687	50	5		FJBALN