smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(N)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000002024179	406681115	/nfs/dbraw/zinc/68/11/15/406681115.db2.gz	PBWNPYFNHVVNPW-GOSISDBHSA-N	1	3	321.441	1.948	50	5		DDBAHO
C[N+](C)(N)CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000002024183	280177828	/nfs/dbraw/zinc/17/78/28/280177828.db2.gz	PBWNPYFNHVVNPW-SFHVURJKSA-N	1	3	321.441	1.948	50	5		DDBAHO
CN1CC[NH+](CCCN2CCc3c(cccc3[N+](=O)[O-])C2)CC1	ZINC000097050870	407276723	/nfs/dbraw/zinc/27/67/23/407276723.db2.gz	LMWRYRAWVMENBJ-UHFFFAOYSA-N	1	3	318.421	1.590	50	5		DDBAHO