smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	ZINC000002207005	551793480	/nfs/dbraw/zinc/79/34/80/551793480.db2.gz	SRSIIWWJRGRROL-POTSHQGWSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	ZINC000002207006	551793431	/nfs/dbraw/zinc/79/34/31/551793431.db2.gz	SRSIIWWJRGRROL-XBBAGBNQSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	ZINC000002207007	551793492	/nfs/dbraw/zinc/79/34/92/551793492.db2.gz	SRSIIWWJRGRROL-NVAAOBHVSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	ZINC000002207008	551793435	/nfs/dbraw/zinc/79/34/35/551793435.db2.gz	SRSIIWWJRGRROL-IUFCOECKSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	ZINC000038153645	554273298	/nfs/dbraw/zinc/27/32/98/554273298.db2.gz	HPGWYRZQQCQUGN-IUFCOECKSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	ZINC000038153647	554273353	/nfs/dbraw/zinc/27/33/53/554273353.db2.gz	HPGWYRZQQCQUGN-NVAAOBHVSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	ZINC000038153649	554273345	/nfs/dbraw/zinc/27/33/45/554273345.db2.gz	HPGWYRZQQCQUGN-XBBAGBNQSA-N	1	1	524.002	2.261	50	30		KEEAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	ZINC000038153651	554273419	/nfs/dbraw/zinc/27/34/19/554273419.db2.gz	HPGWYRZQQCQUGN-POTSHQGWSA-N	1	1	524.002	2.261	50	30		KEEAMO
C[N@H+]1C[C@H](C(=O)N[C@]2(C)O[C@@]3(OS(C)(=O)=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000097957596	553847074	/nfs/dbraw/zinc/84/70/74/553847074.db2.gz	ZOZUFVUTVAZUDP-DJVNYRPLSA-N	1	1	661.781	2.065	50	30		KEEAMO
C[N@H+]1C[C@H](C(=O)N[C@]2(C)O[C@@]3(OS(C)(=O)=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000097957597	553847005	/nfs/dbraw/zinc/84/70/05/553847005.db2.gz	ZOZUFVUTVAZUDP-XNNNRPJFSA-N	1	1	661.781	2.065	50	30		KEEAMO
C=CCn1ncc(C[N@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)c1C	ZINC000952857404	1066367998	/nfs/dbraw/zinc/36/79/98/1066367998.db2.gz	FYZCZRGTMVMETR-QHCPKHFHSA-N	1	1	582.746	2.463	50	30		KEEAMO