smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)c1ccccc1	ZINC000013765389	210090203	/nfs/dbraw/zinc/09/02/03/210090203.db2.gz	GOZOOJYBIIQGLI-HRCADAONSA-N	1	0	388.472	-0.585	1	30		GBEFRO
Cc1cc(S(=O)(=O)N[C@H](CCNC(=O)[C@H](C)[NH3+])C(=O)NO)ccc1F	ZINC000014946096	221318993	/nfs/dbraw/zinc/31/89/93/221318993.db2.gz	VZYKGSNMMFYXMV-JOYOIKCWSA-N	1	0	376.410	-0.860	1	30		GBEFRO
Cc1cc(S(=O)(=O)N[C@H](CCNC(=O)C(C)(C)[NH3+])C(=O)NO)ccc1F	ZINC000014946097	207033573	/nfs/dbraw/zinc/03/35/73/207033573.db2.gz	JLNPSAGPCBTFCX-GFCCVEGCSA-N	1	0	390.437	-0.470	1	30		GBEFRO
NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CC[NH2+]CC2)cc1	ZINC000028121971	207335311	/nfs/dbraw/zinc/33/53/11/207335311.db2.gz	ACGLVUUHVAFLSL-UHFFFAOYSA-N	1	0	386.547	-0.838	1	30	in-vivo	GBEFRO
C=C1C(=O)c2c(c(COC(N)=O)c3n2C[C@H]([NH3+])[C@@H]3O)C([O-])=C1[NH+]=CN(C)C	ZINC000029566335	207364100	/nfs/dbraw/zinc/36/41/00/207364100.db2.gz	AEINDCLJDOUBJJ-SLTKRPJASA-N	1	0	375.385	-0.299	1	30		GBEFRO
[NH3+]CC(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2	ZINC000072106075	222206140	/nfs/dbraw/zinc/20/61/40/222206140.db2.gz	VGVFAEMPJQPSNY-NSHDSACASA-N	1	0	390.531	-0.096	1	30		GBEFRO
C=C1C(=O)c2c(c(COC(N)=O)c3n2C[C@H]([NH3+])[C@H]3O)C([O-])=C1[NH+]=CN(C)C	ZINC000084462594	208091236	/nfs/dbraw/zinc/09/12/36/208091236.db2.gz	AEINDCLJDOUBJJ-MHIBFJNPSA-N	1	0	375.385	-0.299	1	30		GBEFRO
C=C1C(=O)c2c(c(COC(N)=O)c3n2C[C@@H]([NH3+])[C@H]3O)C([O-])=C1[NH+]=CN(C)C	ZINC000084462595	211169578	/nfs/dbraw/zinc/16/95/78/211169578.db2.gz	AEINDCLJDOUBJJ-MTUWKAJVSA-N	1	0	375.385	-0.299	1	30		GBEFRO
CCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1	ZINC000101345282	211398433	/nfs/dbraw/zinc/39/84/33/211398433.db2.gz	HXLITFAGQOAVKE-WKTMMLQWSA-N	1	0	386.493	-0.695	1	30		GBEFRO
C/[NH+]=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12	ZINC000061942240	205184212	/nfs/dbraw/zinc/18/42/12/205184212.db2.gz	AVNJIQPWHOFOQG-BTCVNVCGSA-N	1	0	384.436	-0.013	3	30		GBEFRO