smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096921278	185130803	/nfs/dbraw/zinc/13/08/03/185130803.db2.gz	PRWHDGWJTJKCMM-JGVFFNPUSA-N	2	2	282.304	-2.485	1	0		CAAFLP
NC(=O)CC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096921278	185130804	/nfs/dbraw/zinc/13/08/04/185130804.db2.gz	PRWHDGWJTJKCMM-JGVFFNPUSA-N	2	2	282.304	-2.485	1	0		CAAFLP
NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096917189	185129899	/nfs/dbraw/zinc/12/98/99/185129899.db2.gz	CLONXERNLVHQEN-UWVGGRQHSA-N	3	2	282.348	-1.621	1	0		CAAFLP
NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096917189	185129900	/nfs/dbraw/zinc/12/99/00/185129900.db2.gz	CLONXERNLVHQEN-UWVGGRQHSA-N	3	2	282.348	-1.621	1	0		CAAFLP
COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CO	ZINC000096921288	185130945	/nfs/dbraw/zinc/13/09/45/185130945.db2.gz	NEIBBEQQLHWESX-JGVFFNPUSA-N	2	2	256.262	-2.070	1	0		CAAFLP
COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CO	ZINC000096921288	185130946	/nfs/dbraw/zinc/13/09/46/185130946.db2.gz	NEIBBEQQLHWESX-JGVFFNPUSA-N	2	2	256.262	-2.070	1	0		CAAFLP
NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096921277	185131283	/nfs/dbraw/zinc/13/12/83/185131283.db2.gz	CLONXERNLVHQEN-VHSXEESVSA-N	3	2	282.348	-1.621	1	0		CAAFLP
NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000096921277	185131284	/nfs/dbraw/zinc/13/12/84/185131284.db2.gz	CLONXERNLVHQEN-VHSXEESVSA-N	3	2	282.348	-1.621	1	0		CAAFLP
[NH3+][C@@H](CCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000050027950	574415221	/nfs/dbraw/zinc/41/52/21/574415221.db2.gz	RBIOJRGACNAXJZ-UWVGGRQHSA-N	2	2	283.332	-1.022	1	0	endogenous,in-vitro	CAAFLP
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050028044	574415310	/nfs/dbraw/zinc/41/53/10/574415310.db2.gz	RBIOJRGACNAXJZ-VHSXEESVSA-N	2	2	283.332	-1.022	1	0	endogenous,in-vitro	CAAFLP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000095617771	185016660	/nfs/dbraw/zinc/01/66/60/185016660.db2.gz	MEFNTMKESSGLSP-HTQZYQBOSA-N	2	2	274.321	-1.722	1	0	endogenous,in-man	CAAFLP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096917169	185130270	/nfs/dbraw/zinc/13/02/70/185130270.db2.gz	XZVHOWNNZGEHDW-NJUXHZRNSA-N	2	2	255.278	-2.370	1	0		CAAFLP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096917169	185130271	/nfs/dbraw/zinc/13/02/71/185130271.db2.gz	XZVHOWNNZGEHDW-NJUXHZRNSA-N	2	2	255.278	-2.370	1	0		CAAFLP
COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CC(N)=O	ZINC000096921280	185131053	/nfs/dbraw/zinc/13/10/53/185131053.db2.gz	PQMRWSJXQOHQPH-JGVFFNPUSA-N	2	2	283.288	-2.187	1	0		CAAFLP
COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CC(N)=O	ZINC000096921280	185131054	/nfs/dbraw/zinc/13/10/54/185131054.db2.gz	PQMRWSJXQOHQPH-JGVFFNPUSA-N	2	2	283.288	-2.187	1	0		CAAFLP
NC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096921293	185131122	/nfs/dbraw/zinc/13/11/22/185131122.db2.gz	PRWHDGWJTJKCMM-YUMQZZPRSA-N	2	2	282.304	-2.485	1	0		CAAFLP
NC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096921293	185131123	/nfs/dbraw/zinc/13/11/23/185131123.db2.gz	PRWHDGWJTJKCMM-YUMQZZPRSA-N	2	2	282.304	-2.485	1	0		CAAFLP
COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CO	ZINC000096921287	185131504	/nfs/dbraw/zinc/13/15/04/185131504.db2.gz	NEIBBEQQLHWESX-YUMQZZPRSA-N	2	2	256.262	-2.070	1	0		CAAFLP
COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CO	ZINC000096921287	185131506	/nfs/dbraw/zinc/13/15/06/185131506.db2.gz	NEIBBEQQLHWESX-YUMQZZPRSA-N	2	2	256.262	-2.070	1	0		CAAFLP
[NH2+]=C1N[C@@H]2[C@H](CO)N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000104942246	290724220	/nfs/dbraw/zinc/72/42/20/290724220.db2.gz	KUMXVBFFVVLQFX-OBXARNEKSA-N	2	2	272.265	-3.644	1	0	endogenous,in-man	CAAFLP
[NH2+]=C1N[C@@H]2[C@H](CO)N(O)C(=[NH2+])N3CCC(O)(O)[C@]23N1	ZINC000210988066	560044170	/nfs/dbraw/zinc/04/41/70/560044170.db2.gz	KUMXVBFFVVLQFX-ZDEZVYLVSA-N	2	2	272.265	-3.644	1	0	endogenous,in-man	CAAFLP
[NH2+]=C1N[C@@H]2[C@@H](CO)N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000085847757	560066536	/nfs/dbraw/zinc/06/65/36/560066536.db2.gz	KUMXVBFFVVLQFX-UDJQAZALSA-N	2	2	272.265	-3.434	1	0	endogenous,in-man	CAAFLP
[NH2+]=C1N[C@H]2[C@@H](CO)N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000014691901	560100911	/nfs/dbraw/zinc/10/09/11/560100911.db2.gz	KUMXVBFFVVLQFX-IKMPGZOFSA-N	2	2	272.265	-3.434	1	0	endogenous,in-man	CAAFLP
[NH3+][C@H](CCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000050027952	574415201	/nfs/dbraw/zinc/41/52/01/574415201.db2.gz	RBIOJRGACNAXJZ-ZJUUUORDSA-N	2	2	283.332	-1.022	1	0	endogenous,in-vitro	CAAFLP
[NH3+][C@H](CCCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000050028047	574415298	/nfs/dbraw/zinc/41/52/98/574415298.db2.gz	RBIOJRGACNAXJZ-NXEZZACHSA-N	2	2	283.332	-1.022	1	0	endogenous,in-vitro	CAAFLP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617769	185015884	/nfs/dbraw/zinc/01/58/84/185015884.db2.gz	MEFNTMKESSGLSP-SFYZADRCSA-N	2	2	274.321	-1.722	1	0	endogenous,in-man	CAAFLP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000095617770	185016397	/nfs/dbraw/zinc/01/63/97/185016397.db2.gz	MEFNTMKESSGLSP-JGVFFNPUSA-N	2	2	274.321	-1.722	1	0	endogenous,in-man	CAAFLP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096917171	185130402	/nfs/dbraw/zinc/13/04/02/185130402.db2.gz	XZVHOWNNZGEHDW-DTLFHODZSA-N	2	2	255.278	-2.370	1	0		CAAFLP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096917171	185130403	/nfs/dbraw/zinc/13/04/03/185130403.db2.gz	XZVHOWNNZGEHDW-DTLFHODZSA-N	2	2	255.278	-2.370	1	0		CAAFLP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000013514841	571702772	/nfs/dbraw/zinc/70/27/72/571702772.db2.gz	MEFNTMKESSGLSP-YUMQZZPRSA-N	2	2	274.321	-1.722	1	0	endogenous,in-man	CAAFLP