smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001637220	557277978	/nfs/dbraw/zinc/27/79/78/557277978.db2.gz	VVXNRRJUPLWPJB-JXMROGBWSA-N	0	2	405.344	0.037	40	30		HCEBLN
NC(=S)N/N=C1\C(=O)N(Cc2ccccc2)C(=O)[C@H]1C(=O)NCc1ccccc1	ZINC000005809011	557675558	/nfs/dbraw/zinc/67/55/58/557675558.db2.gz	VLORDRBBTHEUIY-XKBVJOOISA-N	0	2	409.471	0.677	40	30		HCEBLN
COC(=O)C(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008665135	557799272	/nfs/dbraw/zinc/79/92/72/557799272.db2.gz	VVXNRRJUPLWPJB-YFHOEESVSA-N	0	2	405.344	0.037	40	30		HCEBLN
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000059364526	558934636	/nfs/dbraw/zinc/93/46/36/558934636.db2.gz	XDVCLKFLRAWGIT-QJBAFNDPSA-N	0	2	414.414	0.121	40	30		HCEBLN
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@H]12	ZINC000059364527	558934586	/nfs/dbraw/zinc/93/45/86/558934586.db2.gz	XDVCLKFLRAWGIT-SLQXZUKBSA-N	0	2	414.414	0.121	40	30		HCEBLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@H]12	ZINC000059364530	558934612	/nfs/dbraw/zinc/93/46/12/558934612.db2.gz	XDVCLKFLRAWGIT-QPOZSOFGSA-N	0	2	414.414	0.121	40	30		HCEBLN
NC(=S)N/N=C1/C(=O)N(Cc2ccccc2)C(=O)[C@@H]1C(=O)NCc1ccccc1	ZINC000104273768	527110536	/nfs/dbraw/zinc/11/05/36/527110536.db2.gz	VLORDRBBTHEUIY-IXSYQRGLSA-N	0	2	409.471	0.677	40	30		HCEBLN
NC(=S)N/N=C1/C(=O)N(Cc2ccccc2)C(=O)[C@H]1C(=O)NCc1ccccc1	ZINC000104273773	559159608	/nfs/dbraw/zinc/15/96/08/559159608.db2.gz	VLORDRBBTHEUIY-BXDHAIISSA-N	0	2	409.471	0.677	40	30		HCEBLN
N#CCN1CCC[C@H]1c1ccnc(Nc2nc(C(=O)N3CCNC(=O)C3)cs2)n1	ZINC000585292984	559125470	/nfs/dbraw/zinc/12/54/70/559125470.db2.gz	BKIGVZSALCDXLK-AWEZNQCLSA-N	0	2	412.479	0.909	40	30		HCEBLN
N#CCN1CCC[C@@H]1c1ccnc(Nc2nc(C(=O)N3CCNC(=O)C3)cs2)n1	ZINC000585292988	559125460	/nfs/dbraw/zinc/12/54/60/559125460.db2.gz	BKIGVZSALCDXLK-CQSZACIVSA-N	0	2	412.479	0.909	40	30		HCEBLN