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@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)n1CCN1CCOCC1)[NH+](C)C	ZINC000514291027	1066408570	/nfs/dbraw/zinc/40/85/70/1066408570.db2.gz	CGSMQPCQBPGTLL-NFBKMPQASA-N	1	2	587.860	4.828	20	30		KJEDLO
CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)n1CCN1CCOCC1)[NH+](C)C	ZINC000514291033	1066408594	/nfs/dbraw/zinc/40/85/94/1066408594.db2.gz	CGSMQPCQBPGTLL-NZQKXSOJSA-N	1	2	587.860	4.828	20	30		KJEDLO
CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)n1CCN1CCOCC1)[NH+](C)C	ZINC000514291035	1066407918	/nfs/dbraw/zinc/40/79/18/1066407918.db2.gz	CGSMQPCQBPGTLL-OFNKIYASSA-N	1	2	587.860	4.828	20	30		KJEDLO
CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)n1CCN1CCOCC1)[NH+](C)C	ZINC000514291036	1066407886	/nfs/dbraw/zinc/40/78/86/1066407886.db2.gz	CGSMQPCQBPGTLL-REWPJTCUSA-N	1	2	587.860	4.828	20	30		KJEDLO
N#CCN(C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1ccccc1	ZINC000514292012	1066420154	/nfs/dbraw/zinc/42/01/54/1066420154.db2.gz	KYFREABCUYGYIF-UHFFFAOYSA-N	1	2	512.586	4.503	20	30		KJEDLO
C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)NC1(C#N)CCCCC1	ZINC000514293433	1066412073	/nfs/dbraw/zinc/41/20/73/1066412073.db2.gz	UTEPKYPSGMEUJB-GOSISDBHSA-N	1	2	518.634	4.678	20	30		KJEDLO
C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)NC1(C#N)CCCCC1	ZINC000514293437	1066412107	/nfs/dbraw/zinc/41/21/07/1066412107.db2.gz	UTEPKYPSGMEUJB-SFHVURJKSA-N	1	2	518.634	4.678	20	30		KJEDLO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1	ZINC000514402548	1066451550	/nfs/dbraw/zinc/45/15/50/1066451550.db2.gz	CKYMOHPSWQKONH-JOCHJYFZSA-N	1	2	535.718	4.872	20	30		KJEDLO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1	ZINC000514402552	1066452312	/nfs/dbraw/zinc/45/23/12/1066452312.db2.gz	CKYMOHPSWQKONH-QFIPXVFZSA-N	1	2	535.718	4.872	20	30		KJEDLO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1	ZINC000514404841	1066462390	/nfs/dbraw/zinc/46/23/90/1066462390.db2.gz	OIVCUBNLVXTMLH-GOSISDBHSA-N	1	2	530.098	4.601	20	30		KJEDLO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1	ZINC000514404842	1066462365	/nfs/dbraw/zinc/46/23/65/1066462365.db2.gz	OIVCUBNLVXTMLH-SFHVURJKSA-N	1	2	530.098	4.601	20	30		KJEDLO