smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COc1ccc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1	ZINC000409074889	556943507	/nfs/dbraw/zinc/94/35/07/556943507.db2.gz	NUBSJLZQDCPPIR-UHFFFAOYSA-N	-2	0	425.437	2.648	40	30		IFEBRL
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1[O-]	ZINC000409048995	556932081	/nfs/dbraw/zinc/93/20/81/556932081.db2.gz	PQJGOOOIBXZPIA-UHFFFAOYSA-N	-2	0	442.424	2.807	40	30		IFEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000408694229	556096248	/nfs/dbraw/zinc/09/62/48/556096248.db2.gz	GNNCXXFNDVKWGU-GZTJUZNOSA-N	-2	0	442.468	2.682	40	30		IFEBRL
O=C([O-])COc1cccc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)c1	ZINC000409066791	556941813	/nfs/dbraw/zinc/94/18/13/556941813.db2.gz	WUKVBWOJDPPCJA-UHFFFAOYSA-N	-2	0	425.437	2.648	40	30		IFEBRL
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000409353824	557080542	/nfs/dbraw/zinc/08/05/42/557080542.db2.gz	SEAQJEPBEMIHQG-UHFFFAOYSA-N	-2	0	446.419	2.788	40	30		IFEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408853958	556871729	/nfs/dbraw/zinc/87/17/29/556871729.db2.gz	UHBLKGODDVDYQK-GZTJUZNOSA-N	-2	0	436.420	2.554	40	30		IFEBRL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408740091	556211720	/nfs/dbraw/zinc/21/17/20/556211720.db2.gz	DFLOWFQXZCLEHS-IEEVUCOHSA-N	-2	0	446.282	2.914	40	30		IFEBRL
Cc1ccc(N=NC2=C3C=CC(S(=O)(=O)[O-])C=C3C=C(S(=O)(=O)[O-])C2=O)c(C)c1	ZINC000409415836	557110682	/nfs/dbraw/zinc/11/06/82/557110682.db2.gz	UUBQQYRZCKPXCK-UHFFFAOYSA-N	-2	0	436.467	2.895	40	30		IFEBRL
CCOC(=O)C(C1=C([O-])c2ccccc2C(=O)C1=O)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000001709646	555710217	/nfs/dbraw/zinc/71/02/17/555710217.db2.gz	FNWQCORNSZFAMW-UHFFFAOYSA-N	-2	0	432.384	2.948	40	30		IFEBRL
COc1ccc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1C(=O)[O-]	ZINC000409040044	556928964	/nfs/dbraw/zinc/92/89/64/556928964.db2.gz	FJDGEMMZUFQWFO-UHFFFAOYSA-N	-2	0	425.437	2.891	40	30		IFEBRL
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408740814	556212935	/nfs/dbraw/zinc/21/29/35/556212935.db2.gz	IFLHQGSVWYUDHX-IEEVUCOHSA-N	-2	0	446.282	2.914	40	30		IFEBRL
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408740816	556212993	/nfs/dbraw/zinc/21/29/93/556212993.db2.gz	IFLHQGSVWYUDHX-UMXKZIAQSA-N	-2	0	446.282	2.914	40	30		IFEBRL
C#CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409194089	556993237	/nfs/dbraw/zinc/99/32/37/556993237.db2.gz	NPQATKQCTPZHJU-LDADJPATSA-N	-2	0	429.457	2.804	40	30		IFEBRL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408740092	556211780	/nfs/dbraw/zinc/21/17/80/556211780.db2.gz	DFLOWFQXZCLEHS-UMXKZIAQSA-N	-2	0	446.282	2.914	40	30		IFEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1O	ZINC000409193397	556992753	/nfs/dbraw/zinc/99/27/53/556992753.db2.gz	JVBCYEYMFPRIKY-MHWRWJLKSA-N	-2	0	438.461	2.659	40	30		IFEBRL