smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccccc3C(=O)NCCCCCC[NH3+])c2cc1C	ZINC000101149209	554656800	/nfs/dbraw/zinc/65/68/00/554656800.db2.gz	JADGCMMYVXWGNX-NUDFZHEQSA-N	2	2	512.698	6.423	50	5		KKBALP
CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccccc3C(=O)NCc3ccc(C[NH3+])cc3)c2cc1C	ZINC000101148804	554656769	/nfs/dbraw/zinc/65/67/69/554656769.db2.gz	BWZMWOLFQHWSSO-ONQIKCEGSA-N	2	2	532.688	6.563	50	5		KKBALP
CN(C)c1ccc2nc3cc(Nc4ccc([NH+](C)C)cc4)c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1	ZINC000043199470	554297683	/nfs/dbraw/zinc/29/76/83/554297683.db2.gz	FFRWCEYBCHIIKE-UHFFFAOYSA-O	2	2	525.680	7.284	50	5		KKBALP
Nc1ccc2c3ccc(=[NH2+])cc-3n(CCC[NH2+]CC[NH2+]CCCn3c4cc(=[NH2+])ccc-4c4ccc(N)cc4c3-c3ccccc3)c(-c3ccccc3)c2c1	ZINC000377845189	562896346	/nfs/dbraw/zinc/89/63/46/562896346.db2.gz	CTTVIEYMZPRCCH-UHFFFAOYSA-N	4	2	710.930	7.923	50	5		KKBALP
c1ccc2cc3c(cc2c1)[nH+]ccc3N1CCN(CC[NH+]2CCN(c3cc[nH+]c4cc5ccccc5cc43)CC2)CC1	ZINC000033353750	553926822	/nfs/dbraw/zinc/92/68/22/553926822.db2.gz	DJSWKAQEKBRZAO-UHFFFAOYSA-N	3	2	552.726	6.034	50	5	biogenic	KKBALP
Nc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000097984883	554019346	/nfs/dbraw/zinc/01/93/46/554019346.db2.gz	XCSQPUZKGQYUKT-UHFFFAOYSA-N	2	2	640.792	5.790	50	5		KKBALP