smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H]2CC[C@]1(C)C(=O)N([O-])[C@H]2C(=O)[O-]	ZINC000252444332	388625949	/nfs/dbraw/zinc/62/59/49/388625949.db2.gz	DZXZRKNGUCWZFE-MVKOHCKWSA-N	-2	1	227.260	1.114	40	30		BDEBML
COc1cc(/C=N/[O-])c(OC)cc1/C=N/[O-]	ZINC000005915354	342771449	/nfs/dbraw/zinc/77/14/49/342771449.db2.gz	FAZRDHBJJMCMAV-YDWXAUTNSA-N	-2	1	224.216	1.320	40	30		BDEBML
CC1(C)[C@H]2CC[C@]1(C)C(=O)N([O-])[C@@H]2C(=O)[O-]	ZINC000028580609	259519552	/nfs/dbraw/zinc/51/95/52/259519552.db2.gz	DZXZRKNGUCWZFE-OKTBNZSVSA-N	-2	1	227.260	1.114	40	30		BDEBML
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N([O-])[C@@H]2C(=O)[O-]	ZINC000028580607	371619233	/nfs/dbraw/zinc/61/92/33/371619233.db2.gz	DZXZRKNGUCWZFE-BUYFANAVSA-N	-2	1	227.260	1.114	40	30		BDEBML
O=C([O-])CCC(=O)C=C1[N-]c2ccccc2C1=O	ZINC000005159136	384103549	/nfs/dbraw/zinc/10/35/49/384103549.db2.gz	CQGTWYJXHYSYMN-YRNVUSSQSA-N	-2	1	245.234	1.613	40	30		BDEBML
O=C([O-])CC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000004879007	384085667	/nfs/dbraw/zinc/08/56/67/384085667.db2.gz	OXFJIMQJOKQOHX-UHFFFAOYSA-N	-2	1	232.191	1.352	40	30		BDEBML
O=C([O-])CCC(=O)C=C1[N-]c2ccccc2C1=O	ZINC000016980615	384476132	/nfs/dbraw/zinc/47/61/32/384476132.db2.gz	CQGTWYJXHYSYMN-XFFZJAGNSA-N	-2	1	245.234	1.613	40	30		BDEBML
O=C([O-])c1ccc([N-]N=C[N+](=O)[O-])cc1	ZINC000020457524	342985884	/nfs/dbraw/zinc/98/58/84/342985884.db2.gz	GBORHAHMVXYQOO-WEVVVXLNSA-N	-2	1	209.161	1.017	40	30		BDEBML
N#Cc1c(=O)[n-]c2c(c1C(=O)[O-])CCCC2	ZINC000082368688	384245232	/nfs/dbraw/zinc/24/52/32/384245232.db2.gz	DMUFHGVZJZIGCG-UHFFFAOYSA-N	-2	1	218.212	1.236	40	30		BDEBML
Cc1ccc([O-])c(C(=O)/C=C/C(=O)[O-])c1	ZINC000005542024	346622953	/nfs/dbraw/zinc/62/29/53/346622953.db2.gz	DXFVUDLTRQWOSQ-SNAWJCMRSA-N	-2	1	206.197	1.524	40	30		BDEBML