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-])[C@@H]1CCCN1C(=O)CC/C(=N\[O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028098669	563050495	/nfs/dbraw/zinc/05/04/95/563050495.db2.gz	PNJGXGZUEYIKJG-ZSNCHUIHSA-N	-2	3	437.496	2.714	1	30		IFEFHL
COc1cc([O-])c2c(c1C(=O)NCc1ccccc1)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000049068785	563137555	/nfs/dbraw/zinc/13/75/55/563137555.db2.gz	DLJMJMNOTDIFTH-XMMPIXPASA-N	-2	3	435.432	2.849	1	30		IFEFHL
COc1cc([O-])c2c(c1C(=O)NCc1ccccc1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000049068785	563137557	/nfs/dbraw/zinc/13/75/57/563137557.db2.gz	DLJMJMNOTDIFTH-XMMPIXPASA-N	-2	3	435.432	2.849	1	30		IFEFHL
COc1cc([O-])c2c(c1C(=O)NCc1ccccc1)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000049068785	563137559	/nfs/dbraw/zinc/13/75/59/563137559.db2.gz	DLJMJMNOTDIFTH-XMMPIXPASA-N	-2	3	435.432	2.849	1	30		IFEFHL
CC(=O)C1=C([O-])C=C2Oc3c(c([O-])cc4c3C(=O)N[C@](C)(c3ccccc3)O4)[C@]2(C)C1=O	ZINC000040935732	563112660	/nfs/dbraw/zinc/11/26/60/563112660.db2.gz	FYOYVLXMWPZKPL-RPWUZVMVSA-N	-2	3	433.416	2.905	1	30		IFEFHL
CC([O-])=C1C(=O)C=C2Oc3c(c([O-])cc4c3C(=O)N[C@](C)(c3ccccc3)O4)[C@]2(C)C1=O	ZINC000040935732	563112661	/nfs/dbraw/zinc/11/26/61/563112661.db2.gz	FYOYVLXMWPZKPL-RPWUZVMVSA-N	-2	3	433.416	2.905	1	30		IFEFHL
CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c2c([O-])cc2c1C(=O)N[C@](C)(c1ccccc1)O2	ZINC000040935732	563112662	/nfs/dbraw/zinc/11/26/62/563112662.db2.gz	FYOYVLXMWPZKPL-RPWUZVMVSA-N	-2	3	433.416	2.905	1	30		IFEFHL
CC(=O)C1=C([O-])C=C2Oc3c(c([O-])cc4c3C(=O)N[C@@](C)(c3ccccc3)O4)[C@]2(C)C1=O	ZINC000040935730	563112640	/nfs/dbraw/zinc/11/26/40/563112640.db2.gz	FYOYVLXMWPZKPL-DNQXCXABSA-N	-2	3	433.416	2.905	1	30		IFEFHL
CC([O-])=C1C(=O)C=C2Oc3c(c([O-])cc4c3C(=O)N[C@@](C)(c3ccccc3)O4)[C@]2(C)C1=O	ZINC000040935730	563112641	/nfs/dbraw/zinc/11/26/41/563112641.db2.gz	FYOYVLXMWPZKPL-DNQXCXABSA-N	-2	3	433.416	2.905	1	30		IFEFHL
CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c2c([O-])cc2c1C(=O)N[C@@](C)(c1ccccc1)O2	ZINC000040935730	563112642	/nfs/dbraw/zinc/11/26/42/563112642.db2.gz	FYOYVLXMWPZKPL-DNQXCXABSA-N	-2	3	433.416	2.905	1	30		IFEFHL
O=C(NCCCCc1ccccc1)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-]	ZINC000029311661	563077634	/nfs/dbraw/zinc/07/76/34/563077634.db2.gz	VQJVSASIRNTMAC-NRFANRHFSA-N	-2	3	432.432	2.800	1	30		IFEFHL
C[C@@](CCc1ccc(-c2ccc(OCCCC(=O)[O-])cc2)cc1)(C(=O)N[O-])S(C)(=O)=O	ZINC000073295182	563172092	/nfs/dbraw/zinc/17/20/92/563172092.db2.gz	DRJPDAAGHDKHPQ-JOCHJYFZSA-N	-2	3	449.525	2.839	1	30		IFEFHL
CCCCCCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000095589173	563189543	/nfs/dbraw/zinc/18/95/43/563189543.db2.gz	FVSSRPIVFWAJLK-UHFFFAOYSA-O	-3	3	441.422	2.698	1	30		IFEFHL
N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1cccc(NC(=O)[C@@H](O)CCC(=O)[O-])c1	ZINC000013488179	562989612	/nfs/dbraw/zinc/98/96/12/562989612.db2.gz	DAUHRLYFSPRRIH-FQEVSTJZSA-N	-2	3	432.436	2.739	1	30		IFEFHL
O=C([O-])[C@@H]1CCCN1C(=O)CC/C(=N\[O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028098663	563050554	/nfs/dbraw/zinc/05/05/54/563050554.db2.gz	PNJGXGZUEYIKJG-IGWNHQODSA-N	-2	3	437.496	2.714	1	30		IFEFHL
N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1cccc(NC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC000013488180	562989615	/nfs/dbraw/zinc/98/96/15/562989615.db2.gz	DAUHRLYFSPRRIH-HXUWFJFHSA-N	-2	3	432.436	2.739	1	30		IFEFHL
O=C1C=C(NCCc2cc(Br)c([O-])c(Br)c2)C(=O)c2[n-]cnc21	ZINC000001642082	562923553	/nfs/dbraw/zinc/92/35/53/562923553.db2.gz	FCYQOXDAMBJJMS-UHFFFAOYSA-N	-2	3	441.079	2.736	1	30		IFEFHL
O=C1C=C(NCCc2cc(Br)c([O-])c(Br)c2)C(=O)c2nc[n-]c21	ZINC000001642082	562923555	/nfs/dbraw/zinc/92/35/55/562923555.db2.gz	FCYQOXDAMBJJMS-UHFFFAOYSA-N	-2	3	441.079	2.736	1	30		IFEFHL
O=C(NCCCc1ccccc1)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)([O-])[O-]	ZINC000013779387	563006140	/nfs/dbraw/zinc/00/61/40/563006140.db2.gz	CUXSRYOPSIUUQD-FQEVSTJZSA-N	-2	3	436.395	2.549	1	30		IFEFHL