smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1ccccn1	ZINC000013612377	562979566	/nfs/dbraw/zinc/97/95/66/562979566.db2.gz	MUPVIGHETAMQEU-BDTNDASRSA-N	1	3	493.612	0.624	1	30		JCEFHO
CN1C(=O)N(C)[C@@]2(Oc3c([O-])cc4c(c3C3=C2C(=O)c2c(CC[NH3+])c[nH]c2C3=O)CC[N+]4(C)C)C1=O	ZINC000014977569	563010612	/nfs/dbraw/zinc/01/06/12/563010612.db2.gz	UEKKREMMIOJMRO-VWLOTQADSA-O	1	3	492.512	0.790	1	30	in-vivo	JCEFHO
CN1C(=O)N(C)[C@]2(Oc3c([O-])cc4c(c3C3=C2C(=O)c2c(CC[NH3+])c[nH]c2C3=O)CC[N+]4(C)C)C1=O	ZINC000015212618	563011308	/nfs/dbraw/zinc/01/13/08/563011308.db2.gz	UEKKREMMIOJMRO-RUZDIDTESA-O	1	3	492.512	0.790	1	30	in-vivo	JCEFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(C=O)C[C@]32[C@H](C)CC1	ZINC000103524720	560051244	/nfs/dbraw/zinc/05/12/44/560051244.db2.gz	PGAHUTLUROWAQY-BHYITLAQSA-N	1	3	459.591	0.533	1	30	biogenic,in-vitro	JCEFHO