smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccco1	ZINC000012563850	518465019	/nfs/dbraw/zinc/46/50/19/518465019.db2.gz	YDRLMRGTNANMOR-UDWIEESQSA-N	-1	1	434.861	4.478	10	30		IIEEMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccco1	ZINC000059365587	518453444	/nfs/dbraw/zinc/45/34/44/518453444.db2.gz	YDRLMRGTNANMOR-NDENLUEZSA-N	-1	1	434.861	4.478	10	30		IIEEMM
CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccccn1	ZINC000020755372	518464973	/nfs/dbraw/zinc/46/49/73/518464973.db2.gz	VKOBDQZVZBHXGF-LPYMAVHISA-N	-1	1	445.888	4.280	10	30		IIEEMM
CCOC(=O)[C@H]1CCCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586346	521297406	/nfs/dbraw/zinc/29/74/06/521297406.db2.gz	WDINQMWAMRXRIJ-VUQQOUJSSA-N	-1	1	427.522	4.153	10	30		IIEEMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000033661491	518453908	/nfs/dbraw/zinc/45/39/08/518453908.db2.gz	MXKGONBAJZAZTQ-HAHDFKILSA-N	-1	1	435.465	4.103	10	30		IIEEMM
CCOC(=O)[C@@H]1CCCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586345	521114755	/nfs/dbraw/zinc/11/47/55/521114755.db2.gz	WDINQMWAMRXRIJ-MXDDHBLUSA-N	-1	1	427.522	4.153	10	30		IIEEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N=NCc1ccccc1	ZINC000012584784	527339604	/nfs/dbraw/zinc/33/96/04/527339604.db2.gz	SFBQCHKZSAWXCY-FYJGNVAPSA-N	-1	1	430.873	4.495	10	30		IIEEMM
CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccco1	ZINC000009441589	518465577	/nfs/dbraw/zinc/46/55/77/518465577.db2.gz	HBERMMNWJMWMCR-UDWIEESQSA-N	-1	1	434.861	4.478	10	30		IIEEMM
C=CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cn2)cc1	ZINC000065320241	518937755	/nfs/dbraw/zinc/93/77/55/518937755.db2.gz	SETBJTPMZCKPIJ-UHFFFAOYSA-N	-1	1	437.521	4.207	10	30		IIEEMM
[O-]c1c(C=NNC([S-])=[NH+]c2ccccc2)cc(Br)c(O)c1Br	ZINC000038166568	526322977	/nfs/dbraw/zinc/32/29/77/526322977.db2.gz	ZVUZTONBCNIEEU-REZTVBANSA-N	-1	1	445.136	4.355	10	30		IIEEMM