smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCN1CC[NH2+]CC1)c1c[n-]c2c3ccccc3ccc2c1=O	ZINC000040845094	205083577	/nfs/dbraw/zinc/08/35/77/205083577.db2.gz	OICLWTRHHXEABW-UHFFFAOYSA-N	0	3	350.422	1.316	1	5		FDBFHN
CC(CO)(CO)NC[C@@H](O)COc1cccc2c(=O)c3ccccc3oc12	ZINC000040411792	205070088	/nfs/dbraw/zinc/07/00/88/205070088.db2.gz	TZEMJQAAXQUFLH-CYBMUJFWSA-N	0	3	373.405	1.019	1	5		FDBFHN
O=[N+]([O-])c1ccc2c3c([nH]n2CCNCCO)c2cc(O)ccc2nc31	ZINC000096901227	222136714	/nfs/dbraw/zinc/13/67/14/222136714.db2.gz	FNMAOAVZQDUTGZ-UHFFFAOYSA-N	0	3	355.354	1.867	1	5		FDBFHN
CN(C)CCNc1ccc2c(=O)[nH]c(=O)n3c4ccccc4c(=O)c1c23	ZINC000100834753	209218746	/nfs/dbraw/zinc/21/87/46/209218746.db2.gz	IACQCGGBMVTOIE-UHFFFAOYSA-N	0	3	350.378	1.066	1	5		FDBFHN
O=c1c2cc(Cl)ccc2n2nnc3ccc(NCCNCCO)c1c32	ZINC000005732901	207114996	/nfs/dbraw/zinc/11/49/96/207114996.db2.gz	YLYRJTVBWDALAV-UHFFFAOYSA-N	0	3	357.801	1.481	1	5		FDBFHN
CC(CO)(CO)NC[C@H](O)COc1cccc2c(=O)c3ccccc3oc12	ZINC000040411789	208253521	/nfs/dbraw/zinc/25/35/21/208253521.db2.gz	TZEMJQAAXQUFLH-ZDUSSCGKSA-N	0	3	373.405	1.019	1	5		FDBFHN
CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000103257230	209250482	/nfs/dbraw/zinc/25/04/82/209250482.db2.gz	KAKWLPOMEJZSQE-FZMZJTMJSA-N	0	3	366.443	1.605	1	5		FDBFHN
CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000103257225	209250992	/nfs/dbraw/zinc/25/09/92/209250992.db2.gz	OLYBOHOAVAYEMD-KBPBESRZSA-N	0	3	366.443	1.605	1	5		FDBFHN
CSCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014965649	210234199	/nfs/dbraw/zinc/23/41/99/210234199.db2.gz	HQRJJHXKCFABSI-UONOGXRCSA-N	0	3	366.443	1.605	1	5		FDBFHN