smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000016195663	568872409	/nfs/dbraw/zinc/87/24/09/568872409.db2.gz	LGEMWJGYAFMFNQ-UHFFFAOYSA-N	-2	1	446.868	3.380	50	10		IGCAML
COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000016195663	568872410	/nfs/dbraw/zinc/87/24/10/568872410.db2.gz	LGEMWJGYAFMFNQ-UHFFFAOYSA-N	-2	1	446.868	3.380	50	10		IGCAML
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000016195663	568872412	/nfs/dbraw/zinc/87/24/12/568872412.db2.gz	LGEMWJGYAFMFNQ-UHFFFAOYSA-N	-2	1	446.868	3.380	50	10		IGCAML
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000012631203	526643092	/nfs/dbraw/zinc/64/30/92/526643092.db2.gz	FVGVVAGENGZCEE-UHFFFAOYSA-N	-2	1	427.438	3.031	50	10		IGCAML
COc1ccc(S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccccc3)cc(C)c2[O-])cc1	ZINC000003620725	568751893	/nfs/dbraw/zinc/75/18/93/568751893.db2.gz	JAFMKUTUBXYLME-UHFFFAOYSA-N	-2	1	433.507	3.343	50	10		IGCAML
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1[O-]	ZINC000032109768	568781419	/nfs/dbraw/zinc/78/14/19/568781419.db2.gz	FLBVPMBNCPKOPW-GHXNOFRVSA-N	-2	1	438.075	3.379	50	10		IGCAML
CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000016266762	557471395	/nfs/dbraw/zinc/47/13/95/557471395.db2.gz	KFSBDJFPGNZWBB-UHFFFAOYSA-N	-2	1	426.450	3.117	50	10		IGCAML
CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000016266762	557471396	/nfs/dbraw/zinc/47/13/96/557471396.db2.gz	KFSBDJFPGNZWBB-UHFFFAOYSA-N	-2	1	426.450	3.117	50	10		IGCAML
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000016266762	557471398	/nfs/dbraw/zinc/47/13/98/557471398.db2.gz	KFSBDJFPGNZWBB-UHFFFAOYSA-N	-2	1	426.450	3.117	50	10		IGCAML
O=C([O-])CSc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2c1O	ZINC000001926256	562925465	/nfs/dbraw/zinc/92/54/65/562925465.db2.gz	CIERPRDYPKVDJO-UHFFFAOYSA-N	-3	1	433.463	3.221	50	10		IGCAML
Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])C2=CC=CC(=O)C2=C1O	ZINC000257347523	569263095	/nfs/dbraw/zinc/26/30/95/569263095.db2.gz	KDPMZCPWKPCERU-UHFFFAOYSA-N	-2	1	438.439	3.468	50	10		IGCAML
O=S(=O)([N-]c1ccc([O-])c(Sc2nc[nH]n2)c1)c1ccc(Br)cc1	ZINC000008859971	569479841	/nfs/dbraw/zinc/47/98/41/569479841.db2.gz	JDRHTVIFTLHDPB-UHFFFAOYSA-N	-2	1	427.305	3.225	50	10		IGCAML
O=C([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cccc(Br)c2)n1	ZINC000012619472	527604392	/nfs/dbraw/zinc/60/43/92/527604392.db2.gz	FREYOYLMERUUCN-GHXNOFRVSA-N	-2	1	438.328	3.276	50	10		IGCAML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000002817433	555829161	/nfs/dbraw/zinc/82/91/61/555829161.db2.gz	RGVPHBJWUXLWJF-UHFFFAOYSA-N	-2	1	433.467	3.196	50	10		IGCAML
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000037505819	569197849	/nfs/dbraw/zinc/19/78/49/569197849.db2.gz	MACWMRPJBXUQBG-ZDUSSCGKSA-N	-2	1	445.855	3.083	50	10		IGCAML
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000008879039	569481316	/nfs/dbraw/zinc/48/13/16/569481316.db2.gz	MACWMRPJBXUQBG-CYBMUJFWSA-N	-2	1	445.855	3.083	50	10		IGCAML
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000001228175	555686216	/nfs/dbraw/zinc/68/62/16/555686216.db2.gz	FLBVPMBNCPKOPW-KPKJPENVSA-N	-2	1	438.075	3.379	50	10		IGCAML
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000002903820	555860897	/nfs/dbraw/zinc/86/08/97/555860897.db2.gz	NQOFIAXXUFWNHZ-UHFFFAOYSA-N	-2	1	435.219	3.020	50	10		IGCAML
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000002903820	555860899	/nfs/dbraw/zinc/86/08/99/555860899.db2.gz	NQOFIAXXUFWNHZ-UHFFFAOYSA-N	-2	1	435.219	3.020	50	10		IGCAML