smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCOc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064447725	212037454	/nfs/dbraw/zinc/03/74/54/212037454.db2.gz	LCDAQMVGRRZCQX-UHFFFAOYSA-N	-1	0	370.401	4.536	1	10		FJCFRM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000102751763	222306689	/nfs/dbraw/zinc/30/66/89/222306689.db2.gz	ZYUVFIVPSIFNJP-NFFVOIMASA-N	-1	0	361.430	4.685	1	10		FJCFRM
CC(C)(C)c1cc2c(n1-c1ccc(O)c(C(=O)[O-])c1)CCc1ccccc1-2	ZINC000039194376	205044741	/nfs/dbraw/zinc/04/47/41/205044741.db2.gz	KKARBUAGZRXGAY-UHFFFAOYSA-N	-1	0	361.441	4.944	1	10		FJCFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)cc1C	ZINC000102941297	222315555	/nfs/dbraw/zinc/31/55/55/222315555.db2.gz	GSDKTCSKXQROLH-QBNCKDSPSA-N	-1	0	371.238	4.633	1	10		FJCFRM
O=C([O-])c1cc(NNC2=c3cc([N+](=O)[O-])ccc3=NC2=O)ccc1Cl	ZINC000013122374	204522439	/nfs/dbraw/zinc/52/24/39/204522439.db2.gz	ZENDWTIXHYRPST-HNENSFHCSA-N	-1	0	360.713	4.549	1	10		FJCFRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ncc(Cl)cc1Cl)N2	ZINC000049052647	205168945	/nfs/dbraw/zinc/16/89/45/205168945.db2.gz	PEYZUNUITLDLNI-WQGACYEGSA-N	-1	0	361.228	4.913	1	10		FJCFRM
COc1ccc(-c2ccc(OCc3cc(C(=O)[O-])oc3C)cc2)cc1OC	ZINC000141295591	206135964	/nfs/dbraw/zinc/13/59/64/206135964.db2.gz	OJNAXVNZURIBQD-UHFFFAOYSA-N	-1	0	368.385	4.549	1	10		FJCFRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	ZINC000004859593	570611209	/nfs/dbraw/zinc/61/12/09/570611209.db2.gz	DNBJCVYANBEAGR-DCGLDWPTSA-N	-1	0	370.792	4.773	1	10		FJCFRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	ZINC000004859591	207056172	/nfs/dbraw/zinc/05/61/72/207056172.db2.gz	DNBJCVYANBEAGR-AHIWAGSCSA-N	-1	0	370.792	4.773	1	10		FJCFRM
CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)cc(Cl)c1[O-]	ZINC000095561660	209080998	/nfs/dbraw/zinc/08/09/98/209080998.db2.gz	WYRDVJBRKLNIFY-MRXNPFEDSA-N	-1	0	367.207	4.536	1	10		FJCFRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000101648936	209227781	/nfs/dbraw/zinc/22/77/81/209227781.db2.gz	DNBJCVYANBEAGR-IGCXYCKISA-N	-1	0	370.792	4.773	1	10		FJCFRM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000102751761	209240622	/nfs/dbraw/zinc/24/06/22/209240622.db2.gz	ZYUVFIVPSIFNJP-KTVWJZFRSA-N	-1	0	361.430	4.685	1	10		FJCFRM
O=C([O-])c1ccc(NNC2=c3cc(Br)ccc3=NC2=O)cc1	ZINC000013120297	220058660	/nfs/dbraw/zinc/05/86/60/220058660.db2.gz	RUFMFHAMRBSSDI-HNENSFHCSA-N	-1	0	360.167	4.750	1	10		FJCFRM
O=C([O-])c1cc(-n2c(-c3ccc(F)cc3)cc3c2CCCC3)ccc1O	ZINC000039194366	208208954	/nfs/dbraw/zinc/20/89/54/208208954.db2.gz	PCKQZZPQKJJREL-UHFFFAOYSA-N	-1	0	351.377	4.566	1	10		FJCFRM
CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)[O-])oc3C)cc2)cc1	ZINC000140746205	209379145	/nfs/dbraw/zinc/37/91/45/209379145.db2.gz	KGCMYWHVGMFMKH-UHFFFAOYSA-N	-1	0	350.370	4.735	1	10		FJCFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)c(C)c1	ZINC000102948812	222314540	/nfs/dbraw/zinc/31/45/40/222314540.db2.gz	DUABPBDFSQYQAF-QBNCKDSPSA-N	-1	0	371.238	4.633	1	10		FJCFRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	ZINC000169683002	570801674	/nfs/dbraw/zinc/80/16/74/570801674.db2.gz	DNBJCVYANBEAGR-XNJGSVPQSA-N	-1	0	370.792	4.773	1	10		FJCFRM
O=C([O-])c1ccc(NNC2=c3cc(Br)ccc3=NC2=O)cc1	ZINC000101774569	209231269	/nfs/dbraw/zinc/23/12/69/209231269.db2.gz	RUFMFHAMRBSSDI-VHEBQXMUSA-N	-1	0	360.167	4.750	1	10		FJCFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)c(C)c1	ZINC000073296134	208878593	/nfs/dbraw/zinc/87/85/93/208878593.db2.gz	DUABPBDFSQYQAF-ZBBYCGENSA-N	-1	0	371.238	4.633	1	10		FJCFRM