smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)[O-]	ZINC000002561046	209369538	/nfs/dbraw/zinc/36/95/38/209369538.db2.gz	RUSNQAKIOXZJMH-ZDUSSCGKSA-N	-1	1	375.385	-1.529	10	0		GAAEMM
N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)[O-]	ZINC000013552008	212150315	/nfs/dbraw/zinc/15/03/15/212150315.db2.gz	UKPGFKQVRITNFM-KGLIPLIRSA-N	-1	1	392.412	-1.430	10	0		GAAEMM
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)[O-]	ZINC000034875090	209246475	/nfs/dbraw/zinc/24/64/75/209246475.db2.gz	FWNRYRARKPQDLH-DCAQKATOSA-N	-1	1	387.437	-2.184	10	0		GAAEMM
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000039832745	207678039	/nfs/dbraw/zinc/67/80/39/207678039.db2.gz	AEOFMCAKYIQQFY-YDHLFZDLSA-N	-1	1	394.428	-1.152	10	0		GAAEMM
O=C([N-]CC=Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=O)C(F)(F)F	ZINC000085473540	208100306	/nfs/dbraw/zinc/10/03/06/208100306.db2.gz	DMXZSDJKAIYXMV-PSOVBLPESA-N	-1	1	395.290	-2.160	10	0		GAAEMM
C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000090586038	209236577	/nfs/dbraw/zinc/23/65/77/209236577.db2.gz	PVPMGRCVNTZGRW-UBVHSMIISA-N	-1	1	389.409	-3.461	10	0		GAAEMM
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000090608369	212150973	/nfs/dbraw/zinc/15/09/73/212150973.db2.gz	OZTAILWGGJXLDD-DCAQKATOSA-N	-1	1	387.437	-2.314	10	0		GAAEMM
C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)CN)C(=O)[O-]	ZINC000090608495	209237724	/nfs/dbraw/zinc/23/77/24/209237724.db2.gz	BJOKDDZIUXXHPR-YUMQZZPRSA-N	-1	1	388.381	-4.612	10	0		GAAEMM
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](/C=C/C[P@](=O)([O-])O)C(=O)[O-]	ZINC000238745852	206280293	/nfs/dbraw/zinc/28/02/93/206280293.db2.gz	DDLKXVROBQHLLI-MFJXDXPJSA-N	-1	1	380.294	-3.003	10	0		GAAEMM
O=C([N-]CC=Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O)C(F)(F)F	ZINC000256579582	209045564	/nfs/dbraw/zinc/04/55/64/209045564.db2.gz	DMXZSDJKAIYXMV-VEFUNQSRSA-N	-1	1	395.290	-1.748	10	0		GAAEMM
Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1=O	ZINC000328610393	212083870	/nfs/dbraw/zinc/08/38/70/212083870.db2.gz	HPYXZHOPWBWSLQ-SNVBAGLBSA-N	-1	1	396.429	-1.709	10	0		GAAEMM