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)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100070650	559122516	/nfs/dbraw/zinc/12/25/16/559122516.db2.gz	IJHLTWABXCIDLM-WMZOPIPTSA-N	-2	3	422.397	2.201	50	5		HEBAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100070646	559122548	/nfs/dbraw/zinc/12/25/48/559122548.db2.gz	IJHLTWABXCIDLM-AEFFLSMTSA-N	-2	3	422.397	2.201	50	5		HEBAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101765818	560799608	/nfs/dbraw/zinc/79/96/08/560799608.db2.gz	XYGWGUZWNWBLOF-GFCCVEGCSA-N	-2	3	403.420	2.144	50	5		HEBAHL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000095447954	568612506	/nfs/dbraw/zinc/61/25/06/568612506.db2.gz	XVEKQOBMHCMYPZ-UHFFFAOYSA-N	-2	3	403.413	2.215	50	5		HEBAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000008694927	571102610	/nfs/dbraw/zinc/10/26/10/571102610.db2.gz	VHCBFEVFELWVBR-UHFFFAOYSA-N	-2	3	402.392	2.074	50	5		HEBAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000012412831	569400857	/nfs/dbraw/zinc/40/08/57/569400857.db2.gz	IJHLTWABXCIDLM-FUHWJXTLSA-N	-2	3	422.397	2.201	50	5		HEBAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101765812	560799445	/nfs/dbraw/zinc/79/94/45/560799445.db2.gz	XYGWGUZWNWBLOF-LBPRGKRZSA-N	-2	3	403.420	2.144	50	5		HEBAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100070641	559122564	/nfs/dbraw/zinc/12/25/64/559122564.db2.gz	IJHLTWABXCIDLM-SJLPKXTDSA-N	-2	3	422.397	2.201	50	5		HEBAHL