smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC[C@@H]1C[C@@H]1C)c1ccccn1	160888746	538047470	/nfs/dbraw/zinc/04/74/70/538047470.db2.gz	HRPCOOQBHPYZTL-DCAQKATOSA-N	0	3	190.290	2.388	20	70		AEIDHN
C[C@H](NC[C@H]1C[C@H]1C)c1ccccn1	160888318	538049024	/nfs/dbraw/zinc/04/90/24/538049024.db2.gz	HRPCOOQBHPYZTL-OUAUKWLOSA-N	0	3	190.290	2.388	20	70		AEIDHN
C[C@H](NC[C@H]1C[C@@H]1C)c1ccccn1	160888459	538050157	/nfs/dbraw/zinc/05/01/57/538050157.db2.gz	HRPCOOQBHPYZTL-GARJFASQSA-N	0	3	190.290	2.388	20	70		AEIDHN
C[C@H](NC[C@@H]1C[C@H]1C)c1ccccn1	160888605	538051639	/nfs/dbraw/zinc/05/16/39/538051639.db2.gz	HRPCOOQBHPYZTL-VWYCJHECSA-N	0	3	190.290	2.388	20	70		AEIDHN
CCCN(CC)Cc1ccc(CO)o1	160962467	538052296	/nfs/dbraw/zinc/05/22/96/538052296.db2.gz	BYKFJSYMKDYGOJ-UHFFFAOYSA-N	0	3	197.278	2.004	20	70		AEIDHN
C[C@@H](NCC1CC1)c1cscn1	161152009	538058488	/nfs/dbraw/zinc/05/84/88/538058488.db2.gz	YKODHWAZEVEOKM-SSDOTTSWSA-N	0	3	182.292	2.204	20	70		AEIDHN
CC[C@@H](C)N(C)Cc1ccc(CO)o1	161159087	538058518	/nfs/dbraw/zinc/05/85/18/538058518.db2.gz	PUJRPXSIEXYWRR-SECBINFHSA-N	0	3	197.278	2.002	20	70		AEIDHN
C[C@H](NCC1CC1)c1cscn1	161151918	538060374	/nfs/dbraw/zinc/06/03/74/538060374.db2.gz	YKODHWAZEVEOKM-ZETCQYMHSA-N	0	3	182.292	2.204	20	70		AEIDHN
CC[C@H](C)N(C)Cc1ccc(CO)o1	161159176	538061084	/nfs/dbraw/zinc/06/10/84/538061084.db2.gz	PUJRPXSIEXYWRR-VIFPVBQESA-N	0	3	197.278	2.002	20	70		AEIDHN
COc1cc(F)cc(CNC2CC2)c1	159669728	486975048	/nfs/dbraw/zinc/97/50/48/486975048.db2.gz	RORWEEJNKLVPDM-UHFFFAOYSA-N	0	3	195.237	2.086	20	70		AEIDHN
CC(C)[N@H+](C)Cc1cc([O-])cc(F)c1	159814518	344152642	/nfs/dbraw/zinc/15/26/42/344152642.db2.gz	PEUMAYSJVFIQOS-UHFFFAOYSA-N	0	3	197.253	2.372	20	70		AEIDHN
CC(C)[N@@H+](C)Cc1cc([O-])cc(F)c1	159814518	344152644	/nfs/dbraw/zinc/15/26/44/344152644.db2.gz	PEUMAYSJVFIQOS-UHFFFAOYSA-N	0	3	197.253	2.372	20	70		AEIDHN
C[C@H]1CCCN1CCC(F)(F)F	218771913	344416262	/nfs/dbraw/zinc/41/62/62/344416262.db2.gz	YGCADNLWVOGLRS-ZETCQYMHSA-N	0	3	181.201	2.423	20	70		AEIDHN
CC(C)CN(C)Cc1cccnc1	218662709	344414766	/nfs/dbraw/zinc/41/47/66/344414766.db2.gz	CLQAVZUMBMNAMT-UHFFFAOYSA-N	0	3	178.279	2.169	20	70		AEIDHN
C[C@@H]1CCCN1CCC(F)(F)F	218771831	344416364	/nfs/dbraw/zinc/41/63/64/344416364.db2.gz	YGCADNLWVOGLRS-SSDOTTSWSA-N	0	3	181.201	2.423	20	70		AEIDHN