smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1	ZINC000261967368	135267203	/nfs/dbraw/zinc/26/72/03/135267203.db2.gz	LVKVMPLZKSCKLZ-SECBINFHSA-N	2	2	230.312	-1.132	20	30		BAEDLP
COCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1	ZINC000261967368	135267202	/nfs/dbraw/zinc/26/72/02/135267202.db2.gz	LVKVMPLZKSCKLZ-SECBINFHSA-N	2	2	230.312	-1.132	20	30		BAEDLP
COCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1	ZINC000261967371	135266631	/nfs/dbraw/zinc/26/66/31/135266631.db2.gz	LVKVMPLZKSCKLZ-VIFPVBQESA-N	2	2	230.312	-1.132	20	30		BAEDLP
COCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1	ZINC000261967371	135266630	/nfs/dbraw/zinc/26/66/30/135266630.db2.gz	LVKVMPLZKSCKLZ-VIFPVBQESA-N	2	2	230.312	-1.132	20	30		BAEDLP
C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)C1	ZINC000261989366	135269860	/nfs/dbraw/zinc/26/98/60/135269860.db2.gz	LDADIRIMKKBXOM-JTQLQIEISA-N	2	2	242.323	-1.036	20	30		BAEDLP
C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)C1	ZINC000261989366	135269859	/nfs/dbraw/zinc/26/98/59/135269859.db2.gz	LDADIRIMKKBXOM-JTQLQIEISA-N	2	2	242.323	-1.036	20	30		BAEDLP
C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCOCC2)C1	ZINC000261989367	536442282	/nfs/dbraw/zinc/44/22/82/536442282.db2.gz	LDADIRIMKKBXOM-SNVBAGLBSA-N	2	2	242.323	-1.036	20	30		BAEDLP
C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCOCC2)C1	ZINC000261989367	536442280	/nfs/dbraw/zinc/44/22/80/536442280.db2.gz	LDADIRIMKKBXOM-SNVBAGLBSA-N	2	2	242.323	-1.036	20	30		BAEDLP
C=CCNC(=[NH2+])NC[C@H](O)C[NH+]1CCOCC1	ZINC000264148507	534843928	/nfs/dbraw/zinc/84/39/28/534843928.db2.gz	YRRZCLGXQJKZHL-JTQLQIEISA-N	2	2	242.323	-1.230	20	30		BAEDLP
C=CCNC(=[NH2+])NC[C@@H](O)C[NH+]1CCOCC1	ZINC000264149349	135135893	/nfs/dbraw/zinc/13/58/93/135135893.db2.gz	YRRZCLGXQJKZHL-SNVBAGLBSA-N	2	2	242.323	-1.230	20	30		BAEDLP
C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCO)CC1	ZINC000490740827	384367781	/nfs/dbraw/zinc/36/77/81/384367781.db2.gz	NUMQQSQQZJQTLA-UHFFFAOYSA-N	2	2	239.319	-1.312	20	30		BAEDLP
C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCO)CC1	ZINC000490740827	384367775	/nfs/dbraw/zinc/36/77/75/384367775.db2.gz	NUMQQSQQZJQTLA-UHFFFAOYSA-N	2	2	239.319	-1.312	20	30		BAEDLP
C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1	ZINC000662166187	411370109	/nfs/dbraw/zinc/37/01/09/411370109.db2.gz	UYIHWOHYDSOBHH-SNVBAGLBSA-N	2	2	227.308	-1.103	20	30		BAEDLP
C#CC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1	ZINC000858337899	588947277	/nfs/dbraw/zinc/94/72/77/588947277.db2.gz	OPHSPDJZSHGGCG-UHFFFAOYSA-N	2	2	233.279	-1.209	20	30		BAEDLP
C#CCNC(=O)CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1	ZINC000863582511	589301413	/nfs/dbraw/zinc/30/14/13/589301413.db2.gz	KMDVQKDFSHUVLO-LLVKDONJSA-N	2	2	239.319	-1.218	20	30		BAEDLP
C#CCNC(=O)CC[NH2+]CC[N@H+]1CC[C@@H](O)C1	ZINC000863582511	589301412	/nfs/dbraw/zinc/30/14/12/589301412.db2.gz	KMDVQKDFSHUVLO-LLVKDONJSA-N	2	2	239.319	-1.218	20	30		BAEDLP
C#CCNC(=O)CC[NH2+]CC[N@@H+]1CC[C@H](O)C1	ZINC000863590399	589303066	/nfs/dbraw/zinc/30/30/66/589303066.db2.gz	KMDVQKDFSHUVLO-NSHDSACASA-N	2	2	239.319	-1.218	20	30		BAEDLP
C#CCNC(=O)CC[NH2+]CC[N@H+]1CC[C@H](O)C1	ZINC000863590399	589303065	/nfs/dbraw/zinc/30/30/65/589303065.db2.gz	KMDVQKDFSHUVLO-NSHDSACASA-N	2	2	239.319	-1.218	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]CC1	ZINC000884007605	591795123	/nfs/dbraw/zinc/79/51/23/591795123.db2.gz	HLTQEDHVBQRWKZ-VIFPVBQESA-N	2	2	241.291	-1.135	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1	ZINC000884008515	591796641	/nfs/dbraw/zinc/79/66/41/591796641.db2.gz	RTKNJYHGGWTJHS-BDAKNGLRSA-N	2	2	241.291	-1.007	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1	ZINC000884016146	645865852	/nfs/dbraw/zinc/86/58/52/645865852.db2.gz	ONAFZBRJMJEKPK-BDAKNGLRSA-N	2	2	241.291	-1.089	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1	ZINC000884016147	645866096	/nfs/dbraw/zinc/86/60/96/645866096.db2.gz	ONAFZBRJMJEKPK-IUCAKERBSA-N	2	2	241.291	-1.089	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C1	ZINC000884020235	591801607	/nfs/dbraw/zinc/80/16/07/591801607.db2.gz	RTKNJYHGGWTJHS-IUCAKERBSA-N	2	2	241.291	-1.007	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[NH2+]C	ZINC000884023818	591804762	/nfs/dbraw/zinc/80/47/62/591804762.db2.gz	YQBVXLSBXCCJQF-QMMMGPOBSA-N	2	2	229.280	-1.231	20	30		BAEDLP
C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[NH3+]	ZINC000884342302	591907782	/nfs/dbraw/zinc/90/77/82/591907782.db2.gz	XFCXSPIJJLRGGY-QMMMGPOBSA-N	2	2	229.280	-1.150	20	30		BAEDLP
CNC(NCC[N@@H+](C)CCOCCO)=[NH+]C	ZINC000887324236	592480668	/nfs/dbraw/zinc/48/06/68/592480668.db2.gz	WKVFKUVERGXGCG-UHFFFAOYSA-N	2	2	232.328	-1.278	20	30		BAEDLP
CNC(NCC[N@H+](C)CCOCCO)=[NH+]C	ZINC000887324236	592480666	/nfs/dbraw/zinc/48/06/66/592480666.db2.gz	WKVFKUVERGXGCG-UHFFFAOYSA-N	2	2	232.328	-1.278	20	30		BAEDLP
C#CCNC(=O)N1CC[NH2+]CC[NH2+]CC1	ZINC000899241456	584185061	/nfs/dbraw/zinc/18/50/61/584185061.db2.gz	GPFYBHUNPFFXMQ-UHFFFAOYSA-N	2	2	210.281	-1.176	20	30		BAEDLP