smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837035	568997102	/nfs/dbraw/zinc/99/71/02/568997102.db2.gz	AOMCREBPJCHWFK-AREMUKBSSA-N	2	0	418.625	4.504	50	30		HJEARP
Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837033	568997195	/nfs/dbraw/zinc/99/71/95/568997195.db2.gz	AOMCREBPJCHWFK-SANMLTNESA-N	2	0	418.625	4.504	50	30		HJEARP
Cc1c(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cc(C#N)n1C	ZINC000072463061	569384197	/nfs/dbraw/zinc/38/41/97/569384197.db2.gz	DGRTWHRICBHAAF-UHFFFAOYSA-N	2	0	413.569	4.697	50	30		HJEARP
CC[N@@H+](Cc1ccc(C#CCCO)cc1)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012719002	568996179	/nfs/dbraw/zinc/99/61/79/568996179.db2.gz	OYLFYWQOWCODPI-UHFFFAOYSA-N	2	0	418.625	4.506	50	30		HJEARP
C=CCn1cc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1	ZINC000072407111	568920504	/nfs/dbraw/zinc/92/05/04/568920504.db2.gz	UUBCCDBZSYYSCV-UHFFFAOYSA-N	2	0	401.558	4.561	50	30		HJEARP