smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000004899778	374241106	/nfs/dbraw/zinc/24/11/06/374241106.db2.gz	NKKFVJRLCCUJNA-QWRGUYRKSA-N	1	3	331.417	-1.743	10	0		EAAEHO
NC(=O)CNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000006553992	686420453	/nfs/dbraw/zinc/42/04/53/686420453.db2.gz	DIBAKBGYJUCGDL-WDEREUQCSA-N	1	3	339.400	-2.505	10	0		EAAEHO
N[C@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039821024	685404243	/nfs/dbraw/zinc/40/42/43/685404243.db2.gz	NKKFVJRLCCUJNA-MNOVXSKESA-N	1	3	331.417	-1.743	10	0		EAAEHO
N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000039821028	685403901	/nfs/dbraw/zinc/40/39/01/685403901.db2.gz	NKKFVJRLCCUJNA-WDEREUQCSA-N	1	3	331.417	-1.743	10	0		EAAEHO
N[C@H](CCCC[NH3+])C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000039821032	685404147	/nfs/dbraw/zinc/40/41/47/685404147.db2.gz	NKKFVJRLCCUJNA-GHMZBOCLSA-N	1	3	331.417	-1.743	10	0		EAAEHO
NC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039833903	685101920	/nfs/dbraw/zinc/10/19/20/685101920.db2.gz	VGNYHOBZJKWRGI-CIUDSAMLSA-N	1	3	347.372	-3.635	10	0		EAAEHO
NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000059560702	685123546	/nfs/dbraw/zinc/12/35/46/685123546.db2.gz	CEQLNMDCZOVWPK-QWRGUYRKSA-N	1	3	339.400	-2.505	10	0		EAAEHO
NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000059560702	685123545	/nfs/dbraw/zinc/12/35/45/685123545.db2.gz	CEQLNMDCZOVWPK-QWRGUYRKSA-N	1	3	339.400	-2.505	10	0		EAAEHO
NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000060257296	685461654	/nfs/dbraw/zinc/46/16/54/685461654.db2.gz	DIBAKBGYJUCGDL-MNOVXSKESA-N	1	3	339.400	-2.505	10	0		EAAEHO
NC(=O)CNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000060257298	685068803	/nfs/dbraw/zinc/06/88/03/685068803.db2.gz	DIBAKBGYJUCGDL-GHMZBOCLSA-N	1	3	339.400	-2.505	10	0		EAAEHO
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(N)=O	ZINC000090764095	685179876	/nfs/dbraw/zinc/17/98/76/685179876.db2.gz	VROBSHYMNDGCOG-UWVGGRQHSA-N	1	3	343.432	-2.291	10	0		EAAEHO
NC(=O)Cn1ccnc1[C@@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1	ZINC000095507251	670588087	/nfs/dbraw/zinc/58/80/87/670588087.db2.gz	NKOSZVSVTWIVLO-CYBMUJFWSA-N	1	3	334.424	-1.020	10	0		EAAEHO
NC(=O)Cn1ccnc1[C@H]1CCCN(CC(=O)N2CC[NH2+]CC2)C1	ZINC000095507252	670588621	/nfs/dbraw/zinc/58/86/21/670588621.db2.gz	NKOSZVSVTWIVLO-ZDUSSCGKSA-N	1	3	334.424	-1.020	10	0		EAAEHO
CN(C)C[C@@H]1CN(CC(O)CN2CCO[C@H](C[NH+](C)C)C2)CCO1	ZINC000181800205	265136833	/nfs/dbraw/zinc/13/68/33/265136833.db2.gz	FUXRIQWQCFPVCX-IAGOWNOFSA-N	1	3	344.500	-1.128	10	0		EAAEHO
NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000208671725	685061073	/nfs/dbraw/zinc/06/10/73/685061073.db2.gz	CEQLNMDCZOVWPK-WDEREUQCSA-N	1	3	339.400	-2.505	10	0		EAAEHO
NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000208671725	685061064	/nfs/dbraw/zinc/06/10/64/685061064.db2.gz	CEQLNMDCZOVWPK-WDEREUQCSA-N	1	3	339.400	-2.505	10	0		EAAEHO
NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCC[NH3+])C(N)=O	ZINC000208671759	685182003	/nfs/dbraw/zinc/18/20/03/685182003.db2.gz	CEQLNMDCZOVWPK-MNOVXSKESA-N	1	3	339.400	-2.505	10	0		EAAEHO
NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCC[NH3+])C(N)=O	ZINC000208671759	685182000	/nfs/dbraw/zinc/18/20/00/685182000.db2.gz	CEQLNMDCZOVWPK-MNOVXSKESA-N	1	3	339.400	-2.505	10	0		EAAEHO
NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCC[NH3+])C(N)=O	ZINC000208671793	685182051	/nfs/dbraw/zinc/18/20/51/685182051.db2.gz	CEQLNMDCZOVWPK-GHMZBOCLSA-N	1	3	339.400	-2.505	10	0		EAAEHO
NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCC[NH3+])C(N)=O	ZINC000208671793	685182050	/nfs/dbraw/zinc/18/20/50/685182050.db2.gz	CEQLNMDCZOVWPK-GHMZBOCLSA-N	1	3	339.400	-2.505	10	0		EAAEHO
CN(C)C[C@H]1CN(CC(O)CN2CCO[C@@H](C[NH+](C)C)C2)CCO1	ZINC000245911148	265102733	/nfs/dbraw/zinc/10/27/33/265102733.db2.gz	FUXRIQWQCFPVCX-IRXDYDNUSA-N	1	3	344.500	-1.128	10	0		EAAEHO
NS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1	ZINC000309859972	685102353	/nfs/dbraw/zinc/10/23/53/685102353.db2.gz	HKWVAURCXRBUFI-NSHDSACASA-N	1	3	329.378	-1.148	10	0		EAAEHO
O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCC([NH2+]CCO)CC1	ZINC000686273312	685101868	/nfs/dbraw/zinc/10/18/68/685101868.db2.gz	JBRHZOYIWHVCOZ-LLVKDONJSA-N	1	3	326.440	-1.450	10	0		EAAEHO
O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCC([NH2+]CCO)CC1	ZINC000686273313	685102047	/nfs/dbraw/zinc/10/20/47/685102047.db2.gz	JBRHZOYIWHVCOZ-NSHDSACASA-N	1	3	326.440	-1.450	10	0		EAAEHO
Cn1nnc(Br)c1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000702783301	685102282	/nfs/dbraw/zinc/10/22/82/685102282.db2.gz	YMNOIFZXNWSRHH-NTSWFWBYSA-N	1	3	340.203	-1.564	10	0		EAAEHO
Cn1nnc(Br)c1S(=O)(=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000702783302	685102215	/nfs/dbraw/zinc/10/22/15/685102215.db2.gz	YMNOIFZXNWSRHH-PHDIDXHHSA-N	1	3	340.203	-1.564	10	0		EAAEHO
Cn1nnc(Br)c1S(=O)(=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000702783303	685102119	/nfs/dbraw/zinc/10/21/19/685102119.db2.gz	YMNOIFZXNWSRHH-RITPCOANSA-N	1	3	340.203	-1.564	10	0		EAAEHO
Cn1nnc(Br)c1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000702783304	685102290	/nfs/dbraw/zinc/10/22/90/685102290.db2.gz	YMNOIFZXNWSRHH-WDSKDSINSA-N	1	3	340.203	-1.564	10	0		EAAEHO