smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	159506393	486972853	/nfs/dbraw/zinc/97/28/53/486972853.db2.gz	WTAVMJUNXKIIGJ-GHMZBOCLSA-N	2	1	184.327	1.702	20	70		ADIDMP
CC(C)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	159506236	486973011	/nfs/dbraw/zinc/97/30/11/486973011.db2.gz	WTAVMJUNXKIIGJ-MNOVXSKESA-N	2	1	184.327	1.702	20	70		ADIDMP
CC[C@H](C)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	159508755	486973375	/nfs/dbraw/zinc/97/33/75/486973375.db2.gz	XVSXDGYOQUOTRW-AXFHLTTASA-N	2	1	184.327	1.702	20	70		ADIDMP
Cc1cccnc1C[N@H+](C)CCC[NH3+]	159874938	486975152	/nfs/dbraw/zinc/97/51/52/486975152.db2.gz	JHHXYRHBUDRYFJ-UHFFFAOYSA-N	2	1	193.294	1.171	20	70		ADIDMP
Cc1cccnc1C[N@@H+](C)CCC[NH3+]	159874938	486975157	/nfs/dbraw/zinc/97/51/57/486975157.db2.gz	JHHXYRHBUDRYFJ-UHFFFAOYSA-N	2	1	193.294	1.171	20	70		ADIDMP
CCC(CC)C[NH2+]CC[NH2+]C	161242589	486980063	/nfs/dbraw/zinc/98/00/63/486980063.db2.gz	PGSHHCUAZQOEAF-UHFFFAOYSA-N	2	1	158.289	1.232	20	70		ADIDMP
C[NH2+]CC[NH2+]CC1CCCCCC1	161245417	486980229	/nfs/dbraw/zinc/98/02/29/486980229.db2.gz	VGCDIYJLUVTXLQ-UHFFFAOYSA-N	2	1	184.327	1.766	20	70		ADIDMP
CC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH2+]C)C1	218073608	487028788	/nfs/dbraw/zinc/02/87/88/487028788.db2.gz	YQVFAWPOPSSMST-NEPJUHHUSA-N	2	1	198.354	1.964	20	70		ADIDMP
CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1	218066311	487028822	/nfs/dbraw/zinc/02/88/22/487028822.db2.gz	UAWJBJOGZDHJMH-MNOVXSKESA-N	2	1	184.327	1.716	20	70		ADIDMP
Cc1ccccc1C[C@@H](C)[NH2+]CC[NH3+]	218189470	487028860	/nfs/dbraw/zinc/02/88/60/487028860.db2.gz	MQSRKIIWSRHGFT-LLVKDONJSA-N	2	1	192.306	1.474	20	70		ADIDMP
CC[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1	218066395	487028904	/nfs/dbraw/zinc/02/89/04/487028904.db2.gz	UAWJBJOGZDHJMH-QWRGUYRKSA-N	2	1	184.327	1.716	20	70		ADIDMP
CC[C@H](C)C[N@H+]1CCC[C@@H](C[NH2+]C)C1	218073694	487028946	/nfs/dbraw/zinc/02/89/46/487028946.db2.gz	YQVFAWPOPSSMST-RYUDHWBXSA-N	2	1	198.354	1.964	20	70		ADIDMP
C[C@@H](Cc1ccsc1)[NH2+]CC[NH3+]	218197810	487029090	/nfs/dbraw/zinc/02/90/90/487029090.db2.gz	QGOQRLKVZUTPJH-QMMMGPOBSA-N	2	1	184.308	1.227	20	70		ADIDMP
C[C@H](Cc1ccsc1)[NH2+]CC[NH3+]	218197864	487029073	/nfs/dbraw/zinc/02/90/73/487029073.db2.gz	QGOQRLKVZUTPJH-MRVPVSSYSA-N	2	1	184.308	1.227	20	70		ADIDMP
Cc1ccccc1C[C@H](C)[NH2+]CC[NH3+]	218189536	487029221	/nfs/dbraw/zinc/02/92/21/487029221.db2.gz	MQSRKIIWSRHGFT-NSHDSACASA-N	2	1	192.306	1.474	20	70		ADIDMP
CC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH3+])C1	217527374	583489348	/nfs/dbraw/zinc/48/93/48/583489348.db2.gz	DCOXNOKFFRPUOR-MNOVXSKESA-N	2	1	184.327	1.703	20	70		ADIDMP
CC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])C1	217527464	583489602	/nfs/dbraw/zinc/48/96/02/583489602.db2.gz	DCOXNOKFFRPUOR-QWRGUYRKSA-N	2	1	184.327	1.703	20	70		ADIDMP
CSCC[C@@H](C)[N@@H+](C)CCN	161489148	344191838	/nfs/dbraw/zinc/19/18/38/344191838.db2.gz	ZMFJZQSBFPQVRN-MRVPVSSYSA-N	2	1	176.329	1.019	20	70		ADIDMP
CSCC[C@@H](C)[N@H+](C)CC[NH3+]	161489148	344191840	/nfs/dbraw/zinc/19/18/40/344191840.db2.gz	ZMFJZQSBFPQVRN-MRVPVSSYSA-N	2	1	176.329	1.019	20	70		ADIDMP
CSCC[C@@H](C)[N@@H+](C)CC[NH3+]	161489148	344191842	/nfs/dbraw/zinc/19/18/42/344191842.db2.gz	ZMFJZQSBFPQVRN-MRVPVSSYSA-N	2	1	176.329	1.019	20	70		ADIDMP
CSCC[C@H](C)[N@@H+](C)CCN	161489016	344191862	/nfs/dbraw/zinc/19/18/62/344191862.db2.gz	ZMFJZQSBFPQVRN-QMMMGPOBSA-N	2	1	176.329	1.019	20	70		ADIDMP
CSCC[C@H](C)[N@H+](C)CC[NH3+]	161489016	344191863	/nfs/dbraw/zinc/19/18/63/344191863.db2.gz	ZMFJZQSBFPQVRN-QMMMGPOBSA-N	2	1	176.329	1.019	20	70		ADIDMP
CSCC[C@H](C)[N@@H+](C)CC[NH3+]	161489016	344191866	/nfs/dbraw/zinc/19/18/66/344191866.db2.gz	ZMFJZQSBFPQVRN-QMMMGPOBSA-N	2	1	176.329	1.019	20	70		ADIDMP
CC(C)[N@@H+](C)CCC[NH2+]CC1CC1	218091874	344409817	/nfs/dbraw/zinc/40/98/17/344409817.db2.gz	PPYXBJLCVQBXHH-UHFFFAOYSA-N	2	1	184.327	1.716	20	70		ADIDMP