smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000032631839	1068063660	/nfs/dbraw/zinc/06/36/60/1068063660.db2.gz	BLPVGFQYELFQSH-UHFFFAOYSA-N	0	2	470.485	0.525	20	5		JCBDLN
CS(=O)(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)CC1	ZINC000436657008	1068917155	/nfs/dbraw/zinc/91/71/55/1068917155.db2.gz	SUNXOVVTUSEQLY-UHFFFAOYSA-N	0	2	484.512	0.819	20	5		JCBDLN
CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)CC1	ZINC000436745962	1068927394	/nfs/dbraw/zinc/92/73/94/1068927394.db2.gz	BUJOAXYVXDKDLT-UHFFFAOYSA-N	0	2	491.526	0.995	20	5		JCBDLN
CNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)CC1	ZINC000436779224	1068929643	/nfs/dbraw/zinc/92/96/43/1068929643.db2.gz	UOWHCHUCTLSXKD-UHFFFAOYSA-N	0	2	477.499	0.605	20	5		JCBDLN
Cc1n[nH]c(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)n1	ZINC000502694419	1068369139	/nfs/dbraw/zinc/36/91/39/1068369139.db2.gz	QOWZAGAVIKKMIA-UHFFFAOYSA-N	0	2	479.519	0.897	20	5		JCBDLN
CNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)CC1	ZINC000515503652	1068817532	/nfs/dbraw/zinc/81/75/32/1068817532.db2.gz	ZSZKEVJMUNGHOB-UHFFFAOYSA-N	0	2	491.526	0.908	20	5		JCBDLN
O=[N+]([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[O-]	ZINC000603640550	1067685268	/nfs/dbraw/zinc/68/52/68/1067685268.db2.gz	YRCDQBQQUSKXRK-UHFFFAOYSA-N	0	2	471.517	0.126	20	5		JCBDLN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000603975916	1067719909	/nfs/dbraw/zinc/71/99/09/1067719909.db2.gz	QHPSILRCDPUXDU-UHFFFAOYSA-N	0	2	470.485	0.525	20	5		JCBDLN
CN(C)C(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)CC1	ZINC000604436449	1067745325	/nfs/dbraw/zinc/74/53/25/1067745325.db2.gz	KWOLXNOYMBOZMQ-UHFFFAOYSA-N	0	2	491.526	0.947	20	5		JCBDLN
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCNC(=O)C1	ZINC000916819169	1068170113	/nfs/dbraw/zinc/17/01/13/1068170113.db2.gz	DRTSCKHMJFJTRS-UHFFFAOYSA-N	0	2	462.440	0.511	20	5		JCBDLN