smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@H]1C([O-])=C(C(=O)NC[NH2+][C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430814	552461053	/nfs/dbraw/zinc/46/10/53/552461053.db2.gz	ULJRWCRBDMTYID-CJVHIPLSSA-N	-1	2	672.713	-0.521	40	30		KBEBLM
C[NH+](C)[C@H]1C([O-])=C(C(=O)NC[NH2+][C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430815	552461006	/nfs/dbraw/zinc/46/10/06/552461006.db2.gz	ULJRWCRBDMTYID-XGNMDTDMSA-N	-1	2	672.713	-0.521	40	30		KBEBLM
C[NH+](C)[C@H]1C([O-])=C(C(=O)NC[NH2+][C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430816	552461029	/nfs/dbraw/zinc/46/10/29/552461029.db2.gz	ULJRWCRBDMTYID-XEWQCYGISA-N	-1	2	672.713	-0.521	40	30		KBEBLM
C[NH+](C)[C@H]1C([O-])=C(C(=O)NC[NH2+][C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430817	552460985	/nfs/dbraw/zinc/46/09/85/552460985.db2.gz	ULJRWCRBDMTYID-HZVIRFPVSA-N	-1	2	672.713	-0.521	40	30		KBEBLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C=O)CC(=O)[O-]	ZINC000644163866	1066232143	/nfs/dbraw/zinc/23/21/43/1066232143.db2.gz	ZSZYUXBVDPGGGX-HWHRFOGPSA-N	-1	2	611.612	-0.826	40	30		KBEBLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C=O)CC(=O)[O-]	ZINC000644163866	1066232120	/nfs/dbraw/zinc/23/21/20/1066232120.db2.gz	ZSZYUXBVDPGGGX-HWHRFOGPSA-N	-1	2	611.612	-0.826	40	30		KBEBLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000644163867	1066231928	/nfs/dbraw/zinc/23/19/28/1066231928.db2.gz	ZSZYUXBVDPGGGX-JBJBFBLISA-N	-1	2	611.612	-0.826	40	30		KBEBLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000644163867	1066231912	/nfs/dbraw/zinc/23/19/12/1066231912.db2.gz	ZSZYUXBVDPGGGX-JBJBFBLISA-N	-1	2	611.612	-0.826	40	30		KBEBLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C=O)CC(=O)[O-]	ZINC000644163868	1066232242	/nfs/dbraw/zinc/23/22/42/1066232242.db2.gz	ZSZYUXBVDPGGGX-RLLPEYFOSA-N	-1	2	611.612	-0.826	40	30		KBEBLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C=O)CC(=O)[O-]	ZINC000644163868	1066232227	/nfs/dbraw/zinc/23/22/27/1066232227.db2.gz	ZSZYUXBVDPGGGX-RLLPEYFOSA-N	-1	2	611.612	-0.826	40	30		KBEBLM