smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl	ZINC000026022275	202138062	/nfs/dbraw/zinc/13/80/62/202138062.db2.gz	VMMDLIHXKGQGAP-UHFFFAOYSA-N	0	2	330.753	-0.176	1	0		EBAFLN
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC(=O)NCC[NH+]1CCOCC1	ZINC000028820235	202177587	/nfs/dbraw/zinc/17/75/87/202177587.db2.gz	LCSFQHNRSCFHSD-WRWGMCAJSA-N	0	2	341.364	-0.977	1	0		EBAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@H+](C)CC(=O)N(C)C)S[C@H]12	ZINC000027418923	202154745	/nfs/dbraw/zinc/15/47/45/202154745.db2.gz	GGIWTWOCHVYAMG-LIEFSGRHSA-N	0	2	343.405	-0.785	1	0		EBAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+](C)CC(=O)N(C)C)S[C@H]12	ZINC000027418923	202154749	/nfs/dbraw/zinc/15/47/49/202154749.db2.gz	GGIWTWOCHVYAMG-LIEFSGRHSA-N	0	2	343.405	-0.785	1	0		EBAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@H+](C)CC(=O)N(C)C)S[C@@H]12	ZINC000027630053	202158711	/nfs/dbraw/zinc/15/87/11/202158711.db2.gz	GGIWTWOCHVYAMG-IDALBHDPSA-N	0	2	343.405	-0.785	1	0		EBAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+](C)CC(=O)N(C)C)S[C@@H]12	ZINC000027630053	202158714	/nfs/dbraw/zinc/15/87/14/202158714.db2.gz	GGIWTWOCHVYAMG-IDALBHDPSA-N	0	2	343.405	-0.785	1	0		EBAFLN
O=C([O-])[C@@H]1[C@@H](C(=O)NC(=O)NCC[NH+]2CCOCC2)[C@H]2CC[C@@H]1O2	ZINC000028820229	202177949	/nfs/dbraw/zinc/17/79/49/202177949.db2.gz	LCSFQHNRSCFHSD-RHYQMDGZSA-N	0	2	341.364	-0.977	1	0		EBAFLN
O=C(Nc1cc(Cl)cc(NC(=O)c2nn[nH]n2)n1)c1nn[nH]n1	ZINC000027850192	202160698	/nfs/dbraw/zinc/16/06/98/202160698.db2.gz	KHHFNEVBKSXKNB-UHFFFAOYSA-N	0	2	335.675	-0.734	1	0		EBAFLN
CC[N@H+](CC(N)=O)CC1=C(C(=O)[O-])N2C(=O)[C@H]([C@@H](C)O)[C@H]2S1	ZINC000003805113	201360696	/nfs/dbraw/zinc/36/06/96/201360696.db2.gz	MEYFALUBCWFXDD-PUQNFTFYSA-N	0	2	329.378	-0.998	1	0		EBAFLN
CC[N@@H+](CC(N)=O)CC1=C(C(=O)[O-])N2C(=O)[C@H]([C@@H](C)O)[C@H]2S1	ZINC000003805113	201360697	/nfs/dbraw/zinc/36/06/97/201360697.db2.gz	MEYFALUBCWFXDD-PUQNFTFYSA-N	0	2	329.378	-0.998	1	0		EBAFLN
COC(=O)[C@@]1(O)c2c(O)c3c(=O)cccc-3oc2C[C@H](OC)[C@H]1O	ZINC000015258135	560229772	/nfs/dbraw/zinc/22/97/72/560229772.db2.gz	DKCFLWCWQILBFZ-DRZCJDIDSA-N	0	2	336.296	-0.209	1	0	in-vitro	EBAFLN
O=C(O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccc(F)cc2c1=O	ZINC000038493527	213210904	/nfs/dbraw/zinc/21/09/04/213210904.db2.gz	CRQVKTQVHXTFKL-FMKGYKFTSA-N	0	2	339.275	-0.550	1	0		EBAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+]3CCC[C@H]3C(N)=O)S[C@H]12	ZINC000003805103	210075873	/nfs/dbraw/zinc/07/58/73/210075873.db2.gz	IMZPGNARDPMXHS-IOALNURASA-N	0	2	341.389	-0.856	1	0		EBAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@H+]3CCC[C@H]3C(N)=O)S[C@H]12	ZINC000003805103	210075877	/nfs/dbraw/zinc/07/58/77/210075877.db2.gz	IMZPGNARDPMXHS-IOALNURASA-N	0	2	341.389	-0.856	1	0		EBAFLN
NC(=O)c1cc(C(=O)Cn2cnc3c2nc(N)[nH]c3=O)ccc1O	ZINC000103290005	219284659	/nfs/dbraw/zinc/28/46/59/219284659.db2.gz	YKIZSUNOSQKUMP-UHFFFAOYSA-N	0	2	328.288	-0.611	1	0		EBAFLN
CC(=O)c1cc(S(C)(=O)=O)cc(NC(=O)c2nn[nH]n2)c1O	ZINC000100935054	219111593	/nfs/dbraw/zinc/11/15/93/219111593.db2.gz	YKHSDXDQTBUKDT-UHFFFAOYSA-N	0	2	325.306	-0.236	1	0		EBAFLN
C[C@@H]1O[C@H](Oc2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000085541412	560071538	/nfs/dbraw/zinc/07/15/38/560071538.db2.gz	XCVOCJFOQNDTNC-RSDNSXNDSA-N	0	2	340.284	-0.590	1	0	biogenic,in-vitro	EBAFLN