smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N2CC[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585797	581096448	/nfs/dbraw/zinc/09/64/48/581096448.db2.gz	DYWSRIKBZVIJHQ-RYUDHWBXSA-N	2	2	369.433	0.221	1	0		FCAFLP
Nc1nc(N2CC[N@H+]3C[C@H](C[NH3+])CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585797	581096449	/nfs/dbraw/zinc/09/64/49/581096449.db2.gz	DYWSRIKBZVIJHQ-RYUDHWBXSA-N	2	2	369.433	0.221	1	0		FCAFLP
C[NH+]1CCN(c2nc(N3CC[NH+](CCO)CC3)nc3ccccc32)CC1	ZINC000000784869	132378377	/nfs/dbraw/zinc/37/83/77/132378377.db2.gz	YXCLBHFFUDSBQG-UHFFFAOYSA-N	2	2	356.474	0.496	3	0		FCAFLP
[NH3+][C@H]1CN(c2cc(N3CCc4nocc4C3)[nH+]cn2)C[C@@H]1N1CCCC1=O	ZINC000066080459	136136718	/nfs/dbraw/zinc/13/67/18/136136718.db2.gz	ZFVTUVIVTMWRSE-ZFWWWQNUSA-N	2	2	369.429	0.166	1	0		FCAFLP
O=C(O[C@H]1C[NH+]2CCC1CC2)[C@](O)(C[NH+]1CCOCC1)c1ccccc1	ZINC000013887356	211063291	/nfs/dbraw/zinc/06/32/91/211063291.db2.gz	RYWIXIGDLHGWJD-ICSRJNTNSA-N	2	2	360.454	0.844	1	0		FCAFLP
CN(C)C(=O)COc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1Cl	ZINC000016954729	132377781	/nfs/dbraw/zinc/37/77/81/132377781.db2.gz	CUJDPDQIRFOXGW-UHFFFAOYSA-N	2	2	352.826	0.993	1	0		FCAFLP
Nc1[nH+]cnc(N2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)c1Cl	ZINC000103238973	132237347	/nfs/dbraw/zinc/23/73/47/132237347.db2.gz	AZCOXSYRCOKPBI-ZDUSSCGKSA-N	2	2	360.849	0.931	1	0		FCAFLP
[NH3+][C@H]1CN(c2cc(N3CCC(F)(F)C3)[nH+]cn2)C[C@@H]1N1CCCCC1=O	ZINC000066079310	221240613	/nfs/dbraw/zinc/24/06/13/221240613.db2.gz	BCHZEUXVXZHVAQ-STQMWFEESA-N	2	2	366.416	0.850	1	0		FCAFLP