smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000009259357	556267647	/nfs/dbraw/zinc/26/76/47/556267647.db2.gz	WXRUKFONCIATKX-RIYZIHGNSA-N	-2	1	430.869	2.874	50	10		IFCAML
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000004483638	556335255	/nfs/dbraw/zinc/33/52/55/556335255.db2.gz	ARPPISDNDPSZAB-UHFFFAOYSA-N	-2	1	444.827	2.765	50	10		IFCAML
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000004483638	556335260	/nfs/dbraw/zinc/33/52/60/556335260.db2.gz	ARPPISDNDPSZAB-UHFFFAOYSA-N	-2	1	444.827	2.765	50	10		IFCAML
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1[O-]	ZINC000013941994	556338867	/nfs/dbraw/zinc/33/88/67/556338867.db2.gz	ALVVVZQYAXGDSD-QPEQYQDCSA-N	-2	1	434.202	2.533	50	10		IFCAML
CN(C)c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])cn1	ZINC000072311857	556591690	/nfs/dbraw/zinc/59/16/90/556591690.db2.gz	XXMBIWHYVQGNQZ-UHFFFAOYSA-N	-2	1	432.527	2.646	50	10		IFCAML
COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[N-]C1=S	ZINC000033460288	557400197	/nfs/dbraw/zinc/40/01/97/557400197.db2.gz	JKHQNIAUCRTAJR-BOPFTXTBSA-N	-2	1	427.482	2.906	50	10		IFCAML
CCN1C(=O)c2cccc3cc(S(=O)(=O)[N-]c4ccc(O)c(C(=O)[O-])c4)cc(c32)C1=O	ZINC000035685773	521537932	/nfs/dbraw/zinc/53/79/32/521537932.db2.gz	GVWNAOFJDSAYKI-UHFFFAOYSA-N	-2	1	440.433	2.660	50	10		IFCAML
O=C1C=CC(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)C([O-])=C1	ZINC000102295983	557300815	/nfs/dbraw/zinc/30/08/15/557300815.db2.gz	BTEWRTUJKSQHIE-ZCXUNETKSA-N	-4	1	440.411	2.865	50	10		IFCAML
COc1ccc([N-]S(=O)(=O)c2cc3c(c(O)c2[O-])C(=O)c2ccccc2C3=O)cc1	ZINC000072194201	556900701	/nfs/dbraw/zinc/90/07/01/556900701.db2.gz	MUHNZLPBAUWQNQ-UHFFFAOYSA-N	-2	1	425.418	2.683	50	10		IFCAML
O=C1C=CC(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)C([O-])=C1	ZINC000025557856	557213964	/nfs/dbraw/zinc/21/39/64/557213964.db2.gz	BTEWRTUJKSQHIE-ISLYRVAYSA-N	-3	1	440.411	2.865	50	10		IFCAML
CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2C(=O)[O-])o1	ZINC000101058997	557282026	/nfs/dbraw/zinc/28/20/26/557282026.db2.gz	XRKNWHCEIXRIPH-KPKJPENVSA-N	-2	1	443.217	2.727	50	10		IFCAML
O=C([O-])CSc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O	ZINC000001893413	568917840	/nfs/dbraw/zinc/91/78/40/568917840.db2.gz	ZMGMOZZFQRJWKX-UHFFFAOYSA-N	-2	1	445.478	2.693	50	10		IFCAML
CCN1C(=O)c2cccc3c(S(=O)(=O)[N-]c4ccc(O)c(C(=O)[O-])c4)ccc(c23)C1=O	ZINC000094993263	569355917	/nfs/dbraw/zinc/35/59/17/569355917.db2.gz	IYFXSVRWRTUFKP-UHFFFAOYSA-N	-2	1	440.433	2.660	50	10		IFCAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1Br	ZINC000071818269	569581955	/nfs/dbraw/zinc/58/19/55/569581955.db2.gz	SDPDPMQUGBDGIB-UHFFFAOYSA-N	-2	1	441.303	2.785	50	10		IFCAML
COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000098086698	557122648	/nfs/dbraw/zinc/12/26/48/557122648.db2.gz	ZEMCWYMXAPQOGE-UKTHLTGXSA-N	-2	1	434.857	2.571	50	10		IFCAML
O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000072311855	556591438	/nfs/dbraw/zinc/59/14/38/556591438.db2.gz	WUPJHUXWQBZKPZ-UHFFFAOYSA-N	-2	1	431.451	2.941	50	10		IFCAML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000012363455	526091132	/nfs/dbraw/zinc/09/11/32/526091132.db2.gz	GPTBJNRVBLWBRQ-NTEUORMPSA-N	-2	1	443.550	2.989	50	10		IFCAML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000009324329	556281701	/nfs/dbraw/zinc/28/17/01/556281701.db2.gz	GPTBJNRVBLWBRQ-ZROIWOOFSA-N	-2	1	443.550	2.989	50	10		IFCAML