smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1=O	ZINC000011680983	211233780	/nfs/dbraw/zinc/23/37/80/211233780.db2.gz	VDCRFBBZFHHYGT-IZCITBFLSA-N	-1	1	339.308	-2.734	10	30		EAEEMM
C=CCn1c2c(nc(N)[n-]c2=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1=O	ZINC000011680988	211234499	/nfs/dbraw/zinc/23/44/99/211234499.db2.gz	VDCRFBBZFHHYGT-YRCUVVFSSA-N	-1	1	339.308	-2.734	10	30		EAEEMM
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O	ZINC000011680992	211234540	/nfs/dbraw/zinc/23/45/40/211234540.db2.gz	VDCRFBBZFHHYGT-ICQCTTRCSA-N	-1	1	339.308	-2.734	10	30	in-vitro	EAEEMM
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1=O	ZINC000022047920	212273328	/nfs/dbraw/zinc/27/33/28/212273328.db2.gz	VDCRFBBZFHHYGT-LEIICMHDSA-N	-1	1	339.308	-2.734	10	30	in-vitro	EAEEMM
N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	ZINC000034999712	685642722	/nfs/dbraw/zinc/64/27/22/685642722.db2.gz	XRNLWLSHAMWRRG-WDSKDSINSA-N	-1	1	338.411	-3.025	10	30		EAEEMM
C=CCC1(CC(C)N=NC(N)=N[N+](=O)[O-])C(=O)[N-]C(=O)NC1=O	ZINC000038811441	685164269	/nfs/dbraw/zinc/16/42/69/685164269.db2.gz	MYXKGEMNTGKSIC-GIDUJCDVSA-N	-1	1	325.285	-1.223	10	30		EAEEMM
N[C@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000039800519	685054347	/nfs/dbraw/zinc/05/43/47/685054347.db2.gz	SMYXEYRYCLIPIL-SRQIZXRXSA-N	-1	1	327.453	-1.843	10	30		EAEEMM
N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000039800526	685054212	/nfs/dbraw/zinc/05/42/12/685054212.db2.gz	SMYXEYRYCLIPIL-PBXRRBTRSA-N	-1	1	327.453	-1.843	10	30		EAEEMM
N[C@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000039801408	685164171	/nfs/dbraw/zinc/16/41/71/685164171.db2.gz	YKKHFPGOZXQAGK-MNOVXSKESA-N	-1	1	341.389	-1.123	10	30		EAEEMM
N[C@H](CS)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000039801411	685164470	/nfs/dbraw/zinc/16/44/70/685164470.db2.gz	YKKHFPGOZXQAGK-GHMZBOCLSA-N	-1	1	341.389	-1.123	10	30		EAEEMM
N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000039801414	685164234	/nfs/dbraw/zinc/16/42/34/685164234.db2.gz	YKKHFPGOZXQAGK-QWRGUYRKSA-N	-1	1	341.389	-1.123	10	30		EAEEMM
N[C@@H](CS)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000039801417	685164217	/nfs/dbraw/zinc/16/42/17/685164217.db2.gz	YKKHFPGOZXQAGK-WDEREUQCSA-N	-1	1	341.389	-1.123	10	30		EAEEMM
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1=O	ZINC000044699054	685148016	/nfs/dbraw/zinc/14/80/16/685148016.db2.gz	VDCRFBBZFHHYGT-GZCUOZMLSA-N	-1	1	339.308	-2.734	10	30		EAEEMM
NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000090744831	685180052	/nfs/dbraw/zinc/18/00/52/685180052.db2.gz	QPUIYNXBYJQHGP-LURJTMIESA-N	-1	1	349.369	-4.207	10	30		EAEEMM
C[C@H](O)[C@H](NC(=O)[C@@H](CS)NC(=O)CN)C(=O)NCC(=O)[O-]	ZINC000139857438	685642499	/nfs/dbraw/zinc/64/24/99/685642499.db2.gz	PDJLPFUOLUNWSL-MYINAIGISA-N	-1	1	336.370	-3.574	10	30		EAEEMM
C[C@H](O)[C@@H](NC(=O)[C@@H](CS)NC(=O)CN)C(=O)NCC(=O)[O-]	ZINC000139857675	685642820	/nfs/dbraw/zinc/64/28/20/685642820.db2.gz	PDJLPFUOLUNWSL-CCGCGBOQSA-N	-1	1	336.370	-3.574	10	30		EAEEMM
NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000144801462	685170901	/nfs/dbraw/zinc/17/09/01/685170901.db2.gz	YCSUSTNKEKNJIS-WDSKDSINSA-N	-1	1	338.411	-3.025	10	30		EAEEMM