smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013748475	570784483	/nfs/dbraw/zinc/78/44/83/570784483.db2.gz	MLMYFMPQZHJXTK-DHDCSXOGSA-N	-2	1	383.429	2.889	50	10		GFCAML
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1	ZINC000005345484	204127556	/nfs/dbraw/zinc/12/75/56/204127556.db2.gz	RXCGAPIRQRIVDO-AUWJEWJLSA-N	-2	1	384.369	2.667	50	10		GFCAML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Sc2nc[nH]n2)c1	ZINC000005447759	204132883	/nfs/dbraw/zinc/13/28/83/204132883.db2.gz	UVXSQEMYMDQATO-UHFFFAOYSA-N	-2	1	380.426	2.910	50	10		GFCAML
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)cc2)cc1	ZINC000020149859	207180253	/nfs/dbraw/zinc/18/02/53/207180253.db2.gz	TUOOMNKUFMGQKF-UHFFFAOYSA-N	-2	1	382.397	2.718	50	10		GFCAML
O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)cc2)cc1	ZINC000020149859	207180256	/nfs/dbraw/zinc/18/02/56/207180256.db2.gz	TUOOMNKUFMGQKF-UHFFFAOYSA-N	-2	1	382.397	2.718	50	10		GFCAML
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)cc1	ZINC000020149859	207180261	/nfs/dbraw/zinc/18/02/61/207180261.db2.gz	TUOOMNKUFMGQKF-UHFFFAOYSA-N	-2	1	382.397	2.718	50	10		GFCAML
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000016268348	207073951	/nfs/dbraw/zinc/07/39/51/207073951.db2.gz	QXOUIMBWPVALMR-YVMONPNESA-N	-2	1	396.359	2.660	50	10		GFCAML
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])cc2C)cc1	ZINC000004735797	570950349	/nfs/dbraw/zinc/95/03/49/570950349.db2.gz	SOLWHNJPKRIEFB-UHFFFAOYSA-N	-2	1	392.462	2.779	50	10		GFCAML
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)cc1	ZINC000002387100	209359794	/nfs/dbraw/zinc/35/97/94/209359794.db2.gz	ZRBNETSQZNPWKZ-FOWTUZBSSA-N	-2	1	399.472	2.814	50	10		GFCAML
CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000000816439	209269029	/nfs/dbraw/zinc/26/90/29/209269029.db2.gz	DDWCKPWDWRYYLJ-UHFFFAOYSA-N	-2	1	398.396	2.634	50	10		GFCAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O	ZINC000002497170	570288683	/nfs/dbraw/zinc/28/86/83/570288683.db2.gz	ALNRIGYRTBFZIT-UHFFFAOYSA-N	-2	1	384.369	2.610	50	10		GFCAML
CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)cc1	ZINC000013116652	570746859	/nfs/dbraw/zinc/74/68/59/570746859.db2.gz	DMLABFJHNFSKGM-UHFFFAOYSA-N	-2	1	392.462	2.861	50	10		GFCAML
CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S	ZINC000002356341	570283954	/nfs/dbraw/zinc/28/39/54/570283954.db2.gz	PMNYEDWNNPRGDC-YRNVUSSQSA-N	-2	1	390.804	2.555	50	10		GFCAML
CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000102570476	570852295	/nfs/dbraw/zinc/85/22/95/570852295.db2.gz	APTWCZFXQQUWJY-YRNVUSSQSA-N	-2	1	398.766	2.617	50	10		GFCAML
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)c1	ZINC000002211576	571033071	/nfs/dbraw/zinc/03/30/71/571033071.db2.gz	WKNZHCQDUMIPFK-FOWTUZBSSA-N	-2	1	399.472	2.814	50	10		GFCAML
CN1C(=O)C(=Cc2cc(Cl)c([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000038172734	570578781	/nfs/dbraw/zinc/57/87/81/570578781.db2.gz	QIZLAXFSVHYZMG-QHHAFSJGSA-N	-2	1	375.631	2.905	50	10		GFCAML
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=S)NC3=O)c2)cc1	ZINC000020234066	570944896	/nfs/dbraw/zinc/94/48/96/570944896.db2.gz	PDHDONPEVPSFGW-UHFFFAOYSA-N	-2	1	382.397	2.718	50	10		GFCAML
O=C([O-])c1ccc(COc2cccc(/C=C3\C(=O)[N-]C(=S)NC3=O)c2)cc1	ZINC000020234066	570944901	/nfs/dbraw/zinc/94/49/01/570944901.db2.gz	PDHDONPEVPSFGW-UHFFFAOYSA-N	-2	1	382.397	2.718	50	10		GFCAML
O=C([O-])c1ccc(COc2cccc(C=C3C(=O)[N-]C(=S)NC3=O)c2)cc1	ZINC000020234066	570944904	/nfs/dbraw/zinc/94/49/04/570944904.db2.gz	PDHDONPEVPSFGW-UHFFFAOYSA-N	-2	1	382.397	2.718	50	10		GFCAML