smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[n-]c(=S)n1N=Cc1cc(Br)cc(Br)c1[O-]	ZINC000005410214	564215840	/nfs/dbraw/zinc/21/58/40/564215840.db2.gz	GQEPTUZGAMNPEP-YIXHJXPBSA-N	-2	1	392.076	3.362	40	30		GGEBML
Cc1cc(=O)[n-]c(NN=C(N=Nc2ccc(C(=O)[O-])cc2)c2ccccc2)n1	ZINC000100773205	526119428	/nfs/dbraw/zinc/11/94/28/526119428.db2.gz	LYGOOYSZLYPAOV-OFVDSQFFSA-N	-2	1	376.376	3.334	40	30		GGEBML
CC(C)(C)C1=CC(=C(P(=O)([O-])[O-])[P@](=O)([O-])O)C=C(C(C)(C)C)C1=O	ZINC000001626570	564185415	/nfs/dbraw/zinc/18/54/15/564185415.db2.gz	WQKKAUBHJNKRLT-UHFFFAOYSA-N	-2	1	378.298	3.081	40	30		GGEBML
Cc1n[n-]c(=S)n1N=Cc1cc(Br)c([O-])c(Br)c1	ZINC000008375089	564248963	/nfs/dbraw/zinc/24/89/63/564248963.db2.gz	JVSSFJTWEWOPLP-YIXHJXPBSA-N	-2	1	392.076	3.362	40	30		GGEBML
N#Cc1ccc(COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1	ZINC000408603721	231076345	/nfs/dbraw/zinc/07/63/45/231076345.db2.gz	GYAKBZQTJTXFPU-JXMROGBWSA-N	-2	1	390.355	3.417	40	30		GGEBML
O=[N+]([O-])c1ccc([O-])c(/N=C/c2ccc([O-])c(I)c2)c1	ZINC000408904061	231127455	/nfs/dbraw/zinc/12/74/55/231127455.db2.gz	DBKOPCJMLLFWMW-VIZOYTHASA-N	-2	1	384.129	3.361	40	30		GGEBML
C=CCOc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409343548	526834730	/nfs/dbraw/zinc/83/47/30/526834730.db2.gz	DVXBXXURHXIVKB-UTCJRWHESA-N	-2	1	394.181	3.294	40	30		GGEBML
CCc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])S2)cc1	ZINC000408761226	570470802	/nfs/dbraw/zinc/47/08/02/570470802.db2.gz	CPBWIQCVXSIGQP-PXNMLYILSA-N	-2	1	385.401	3.460	40	30		GGEBML
Cc1cc(=O)[n-]c(NN=C(N=Nc2ccc(C(=O)[O-])cc2)c2ccccc2)n1	ZINC000085894774	526120361	/nfs/dbraw/zinc/12/03/61/526120361.db2.gz	LYGOOYSZLYPAOV-OFRFZVLPSA-N	-2	1	376.376	3.334	40	30		GGEBML