smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ncn(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3[O-])c2c(=O)n(C)c1=O	ZINC000009335356	555102928	/nfs/dbraw/zinc/10/29/28/555102928.db2.gz	YWSIPKYLVHGXJP-UHFFFAOYSA-N	-1	1	476.515	-0.047	50	0		JBAAMM
COCCN(C(=O)CSc1nc(N)cc(=O)[n-]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009961956	523537766	/nfs/dbraw/zinc/53/77/66/523537766.db2.gz	SZFYIKIUYVIJQC-UHFFFAOYSA-N	-1	1	473.515	-0.396	50	0		JBAAMM
CCCn1c(N)c(C(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(=O)n(C)c1=O	ZINC000010900150	555745721	/nfs/dbraw/zinc/74/57/21/555745721.db2.gz	QNSGRGBOUBZVDP-UHFFFAOYSA-N	-1	1	492.432	-0.339	50	0		JBAAMM
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](c4c([O-])n(C)c(=O)n(C)c4=O)[N@H+](C[C@H]2O)[C@H]3C1)OCO5	ZINC000020410843	555787870	/nfs/dbraw/zinc/78/78/70/555787870.db2.gz	WUGZVVSUKLMSKB-DIIFFCDHSA-N	-1	1	455.467	-0.121	50	0	biogenic	JBAAMM
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](c4c([O-])n(C)c(=O)n(C)c4=O)[N@H+](C[C@H]2O)[C@@H]3C1)OCO5	ZINC000020410849	569602351	/nfs/dbraw/zinc/60/23/51/569602351.db2.gz	WUGZVVSUKLMSKB-FJFDBGDZSA-N	-1	1	455.467	-0.121	50	0	biogenic	JBAAMM
CCN(CC)S(=O)(=O)N1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CC1	ZINC000021489387	195303114	/nfs/dbraw/zinc/30/31/14/195303114.db2.gz	NPTIAJQOEVRTBU-UHFFFAOYSA-N	-1	1	470.596	-0.422	50	0		JBAAMM
Cn1cc(S(=O)(=O)[N-]CCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(=O)n(C)c1=O	ZINC000032810019	556500178	/nfs/dbraw/zinc/50/01/78/556500178.db2.gz	ATDUNMFKPBCLEN-UHFFFAOYSA-N	-1	1	476.481	-0.402	50	0		JBAAMM