smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O	ZINC000150340156	571457770	/nfs/dbraw/zinc/45/77/70/571457770.db2.gz	FDJOMAIZVIIHGU-XLJSZMODSA-N	2	1	812.011	-0.496	40	0		KBABMP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(C)C)C(N)=O	ZINC000150340156	571457768	/nfs/dbraw/zinc/45/77/68/571457768.db2.gz	FDJOMAIZVIIHGU-XLJSZMODSA-N	2	1	812.011	-0.496	40	0		KBABMP
CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)N1CCO[C@H](CN(Cc3ccc(F)c(F)c3)C[C@H]3O[C@@H](CC(=O)N2)[C@H](O)[C@@H]3O)C1	ZINC000225443874	571815082	/nfs/dbraw/zinc/81/50/82/571815082.db2.gz	UBKYHLGDQIMIDZ-ZZWSZCDQSA-N	2	1	552.619	-0.145	40	0		KBABMP
CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)N1CCO[C@H](CN(Cc3ccc(F)c(F)c3)C[C@H]3O[C@@H](CC(=O)N2)[C@H](O)[C@@H]3O)C1	ZINC000225443874	571815079	/nfs/dbraw/zinc/81/50/79/571815079.db2.gz	UBKYHLGDQIMIDZ-ZZWSZCDQSA-N	2	1	552.619	-0.145	40	0		KBABMP
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3C3CCOCC3)N1)[C@@H](O)[C@H]2O	ZINC000225444115	571814908	/nfs/dbraw/zinc/81/49/08/571814908.db2.gz	PWJJJPZCMYCKKK-NRTHNPGXSA-N	2	1	594.656	-0.375	40	0		KBABMP
CN1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N2CCO[C@H](CN(Cc4ccc(F)c(F)c4)C[C@H]4O[C@@H](CC(=O)N3)[C@H](O)[C@@H]4O)C2)CC1	ZINC000225444171	571814962	/nfs/dbraw/zinc/81/49/62/571814962.db2.gz	SFYPXUSCDNKLJE-QBCYUDNPSA-N	2	1	607.699	-0.460	40	0		KBABMP
COc1cc(Cc2cc(N)nc(N)[nH+]2)cc(OC)c1OCC(=O)NCCOCCOCCOCC[NH3+]	ZINC000299817159	572138523	/nfs/dbraw/zinc/13/85/23/572138523.db2.gz	ICBSMIDTPZEKGT-UHFFFAOYSA-N	2	1	508.576	-0.248	40	0	in-vitro	KBABMP