smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1nnn(-c2nonc2N)c1Cn1cnc([N+](=O)[O-])n1	ZINC000002189013	210383108	/nfs/dbraw/zinc/38/31/08/210383108.db2.gz	FOPMVYBTIFRCHM-UHFFFAOYSA-N	0	0	350.255	-1.043	50	5		FABARN
C[C@@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-]	ZINC000002346903	210393092	/nfs/dbraw/zinc/39/30/92/210393092.db2.gz	SZMYHYPYZPRCIX-CMPLNLGQSA-O	0	0	373.473	-1.995	50	5		FABARN
C[C@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-]	ZINC000002346904	204034953	/nfs/dbraw/zinc/03/49/53/204034953.db2.gz	SZMYHYPYZPRCIX-JQWIXIFHSA-O	0	0	373.473	-1.995	50	5		FABARN
C[C@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-]	ZINC000005493842	482533993	/nfs/dbraw/zinc/53/39/93/482533993.db2.gz	SZMYHYPYZPRCIX-PWSUYJOCSA-O	0	0	373.473	-1.995	50	5		FABARN
C[C@@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-]	ZINC000005493843	263341579	/nfs/dbraw/zinc/34/15/79/263341579.db2.gz	SZMYHYPYZPRCIX-ZYHUDNBSSA-O	0	0	373.473	-1.995	50	5		FABARN
CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008684066	483727220	/nfs/dbraw/zinc/72/72/20/483727220.db2.gz	BRJPLZXTTQAQSN-NSHDSACASA-N	0	0	372.359	-1.196	50	5		FABARN
CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012080624	206287161	/nfs/dbraw/zinc/28/71/61/206287161.db2.gz	BRJPLZXTTQAQSN-LLVKDONJSA-N	0	0	372.359	-1.196	50	5		FABARN
COCCn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(=O)[nH]c1=O	ZINC000012914968	211006663	/nfs/dbraw/zinc/00/66/63/211006663.db2.gz	XUIKMYYZOWSGBD-UHFFFAOYSA-N	0	0	365.302	-1.282	50	5		FABARN
O=C(NC[C@@H](O)CO)c1cc(C(=O)NC[C@H](O)CO)cc([N+](=O)[O-])c1	ZINC000021993005	220373056	/nfs/dbraw/zinc/37/30/56/220373056.db2.gz	LJEBHEAPZMNBSI-TXEJJXNPSA-N	0	0	357.319	-2.239	50	5	in-vitro	FABARN
O=C(NC[C@@H](O)CO)c1cc(C(=O)NC[C@@H](O)CO)cc([N+](=O)[O-])c1	ZINC000021993008	220372829	/nfs/dbraw/zinc/37/28/29/220372829.db2.gz	LJEBHEAPZMNBSI-VXGBXAGGSA-N	0	0	357.319	-2.239	50	5	in-vitro	FABARN
O=C(NC[C@H](O)CO)c1cc(C(=O)NC[C@H](O)CO)cc([N+](=O)[O-])c1	ZINC000021993010	211334908	/nfs/dbraw/zinc/33/49/08/211334908.db2.gz	LJEBHEAPZMNBSI-RYUDHWBXSA-N	0	0	357.319	-2.239	50	5	in-vitro	FABARN