smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC1=c2cc(C[C@@H]3COC(=O)N3)ccc2=[NH+]C1	ZINC000306121211	220325807	/nfs/dbraw/zinc/32/58/07/220325807.db2.gz	DDMJVGRHJICQRT-LLVKDONJSA-N	2	2	259.309	-0.530	2	0		CBAFLP
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096917178	185129792	/nfs/dbraw/zinc/12/97/92/185129792.db2.gz	PWFNQZONFPMCIG-HGNGGELXSA-N	2	2	267.333	-0.704	1	0		CBAFLP
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096917178	185129793	/nfs/dbraw/zinc/12/97/93/185129793.db2.gz	PWFNQZONFPMCIG-HGNGGELXSA-N	2	2	267.333	-0.704	1	0		CBAFLP
C[NH2+][C@@H]1CCN(c2cc(NCCO)[nH+]c(N)n2)C1	ZINC000071405088	176155491	/nfs/dbraw/zinc/15/54/91/176155491.db2.gz	HEINSDWKRFGIAU-MRVPVSSYSA-N	2	2	252.322	-0.739	1	0		CBAFLP
COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096917183	185130236	/nfs/dbraw/zinc/13/02/36/185130236.db2.gz	JPUZVQADCCFSOS-QWRGUYRKSA-N	3	2	297.359	-0.934	1	0		CBAFLP
COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096917183	185130237	/nfs/dbraw/zinc/13/02/37/185130237.db2.gz	JPUZVQADCCFSOS-QWRGUYRKSA-N	3	2	297.359	-0.934	1	0		CBAFLP
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096917181	185130249	/nfs/dbraw/zinc/13/02/49/185130249.db2.gz	PWFNQZONFPMCIG-SFGNSQDASA-N	2	2	267.333	-0.704	1	0		CBAFLP
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096917181	185130250	/nfs/dbraw/zinc/13/02/50/185130250.db2.gz	PWFNQZONFPMCIG-SFGNSQDASA-N	2	2	267.333	-0.704	1	0		CBAFLP
C[NH+](C)Cc1cn(CC[C@@H]2CC[C@H]([NH3+])[C@H](CO)O2)nn1	ZINC000095600408	185015341	/nfs/dbraw/zinc/01/53/41/185015341.db2.gz	RSSFQYFOHBQLRO-AVGNSLFASA-N	2	2	283.376	-0.403	1	0		CBAFLP
COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096917185	185130350	/nfs/dbraw/zinc/13/03/50/185130350.db2.gz	JPUZVQADCCFSOS-WDEREUQCSA-N	3	2	297.359	-0.934	1	0		CBAFLP
COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096917185	185130351	/nfs/dbraw/zinc/13/03/51/185130351.db2.gz	JPUZVQADCCFSOS-WDEREUQCSA-N	3	2	297.359	-0.934	1	0		CBAFLP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100387434	571807695	/nfs/dbraw/zinc/80/76/95/571807695.db2.gz	FBTLTOCOJXXFLN-SECBINFHSA-N	2	2	283.332	-0.190	1	0	endogenous,in-vitro	CBAFLP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100387434	571807699	/nfs/dbraw/zinc/80/76/99/571807699.db2.gz	FBTLTOCOJXXFLN-SECBINFHSA-N	2	2	283.332	-0.190	1	0	endogenous,in-vitro	CBAFLP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100387436	574417965	/nfs/dbraw/zinc/41/79/65/574417965.db2.gz	FBTLTOCOJXXFLN-VIFPVBQESA-N	2	2	283.332	-0.190	1	0	endogenous,in-vitro	CBAFLP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100387436	574417966	/nfs/dbraw/zinc/41/79/66/574417966.db2.gz	FBTLTOCOJXXFLN-VIFPVBQESA-N	2	2	283.332	-0.190	1	0	endogenous,in-vitro	CBAFLP
COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])C(C)C	ZINC000096921292	185131328	/nfs/dbraw/zinc/13/13/28/185131328.db2.gz	SOTMNTBAGUGOAS-ZJUUUORDSA-N	2	2	268.317	-0.407	1	0		CBAFLP
COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])C(C)C	ZINC000096921292	185131329	/nfs/dbraw/zinc/13/13/29/185131329.db2.gz	SOTMNTBAGUGOAS-ZJUUUORDSA-N	2	2	268.317	-0.407	1	0		CBAFLP
[NH3+]CCC1=c2cc(C[C@H]3COC(=O)N3)ccc2=[NH+]C1	ZINC000306121212	220325933	/nfs/dbraw/zinc/32/59/33/220325933.db2.gz	DDMJVGRHJICQRT-NSHDSACASA-N	2	2	259.309	-0.530	2	0		CBAFLP
C[NH2+][C@@H]1CCN(c2cc(N)[nH+]c(NCCO)n2)C1	ZINC000071418530	176160348	/nfs/dbraw/zinc/16/03/48/176160348.db2.gz	YEONCWYNVXCPOF-MRVPVSSYSA-N	2	2	252.322	-0.739	1	0		CBAFLP