smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@H+](C)Cc1ccccc1	ZINC000218567071	557207950	/nfs/dbraw/zinc/20/79/50/557207950.db2.gz	VTEUCELZXSDXOQ-UHFFFAOYSA-N	2	2	432.568	3.045	50	70		IGIALP
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@@H+](C)Cc1ccccc1	ZINC000218567071	557207953	/nfs/dbraw/zinc/20/79/53/557207953.db2.gz	VTEUCELZXSDXOQ-UHFFFAOYSA-N	2	2	432.568	3.045	50	70		IGIALP
Cc1[nH+]c2cc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)ccc2n1CCC[NH+](C)C	ZINC000218501929	557203596	/nfs/dbraw/zinc/20/35/96/557203596.db2.gz	CXNOABYZXLUJCY-MRXNPFEDSA-N	2	2	432.528	3.206	50	70		IGIALP
Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000218504560	569458306	/nfs/dbraw/zinc/45/83/06/569458306.db2.gz	UGYBFQKVKUQVDV-UHFFFAOYSA-N	2	2	445.007	3.048	50	70		IGIALP