smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c1[O-]	ZINC000005879698	557678737	/nfs/dbraw/zinc/67/87/37/557678737.db2.gz	QDIILQRBOUSZOZ-WZUFQYTHSA-N	-2	1	407.741	2.563	40	10		HFCBML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408913641	560653647	/nfs/dbraw/zinc/65/36/47/560653647.db2.gz	VURDJKIWFXDKBG-NTUHNPAUSA-N	-2	1	417.874	2.702	40	10		HFCBML
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c1	ZINC000409400110	560720726	/nfs/dbraw/zinc/72/07/26/560720726.db2.gz	OWHZZWYRFLDMLB-BOPFTXTBSA-N	-2	1	418.361	2.804	40	10		HFCBML
CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000002126786	560559191	/nfs/dbraw/zinc/55/91/91/560559191.db2.gz	KEVADGFSYVXQTA-XYOKQWHBSA-N	-2	1	404.831	2.945	40	10		HFCBML
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408530230	557298074	/nfs/dbraw/zinc/29/80/74/557298074.db2.gz	LLBBUAMKUODRKR-YHYXMXQVSA-N	-2	1	418.290	2.800	40	10		HFCBML
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C(=O)[N-]C1=S	ZINC000409392046	560719043	/nfs/dbraw/zinc/71/90/43/560719043.db2.gz	NJMRAOXZXKLHRC-MHWRWJLKSA-N	-2	1	411.483	2.747	40	10		HFCBML
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000408881251	560649924	/nfs/dbraw/zinc/64/99/24/560649924.db2.gz	KMBVLZGUFOJDSK-NTEUORMPSA-N	-2	1	414.801	2.889	40	10		HFCBML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000038800069	571082732	/nfs/dbraw/zinc/08/27/32/571082732.db2.gz	QABVKBIVZDVNCM-UHFFFAOYSA-N	-2	1	418.181	2.772	40	10		HFCBML
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S	ZINC000409392287	560719158	/nfs/dbraw/zinc/71/91/58/560719158.db2.gz	OUGYBEPJPMRELV-XYOKQWHBSA-N	-2	1	404.831	2.945	40	10		HFCBML