smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(OCc2n[n-]c(=S)o2)ccc2c(-c3ccccc3)cc(=O)oc12	ZINC000064503765	205298818	/nfs/dbraw/zinc/29/88/18/205298818.db2.gz	PWYFUUQNXYDEPJ-UHFFFAOYSA-N	-1	0	366.398	4.019	1	10		FICFRM
O=C(/C=C/c1ccccc1)N1CCc2c(Cl)c(O)c([O-])c(Cl)c2C1	ZINC000058581081	205277446	/nfs/dbraw/zinc/27/74/46/205277446.db2.gz	KXGLHDWZJMCBPY-VOTSOKGWSA-N	-1	0	364.228	4.003	1	10		FICFRM
O=C([O-])c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	ZINC000064454366	205299326	/nfs/dbraw/zinc/29/93/26/205299326.db2.gz	CHKAOKYVRDJOKF-HKWRFOASSA-N	-1	0	368.392	4.219	1	10		FICFRM
CC(C)CN(C)c1cc2c(cc1Cl)C=C(C(=O)[O-])[C@H](C(F)(F)F)O2	ZINC000066252767	205365024	/nfs/dbraw/zinc/36/50/24/205365024.db2.gz	NTNQMVISBBFDRT-CQSZACIVSA-N	-1	0	363.763	4.224	1	10		FICFRM
CC(=O)Nc1ccc(-c2ccc(OCc3cc(C(=O)[O-])oc3C)cc2)cc1	ZINC000169343484	206252863	/nfs/dbraw/zinc/25/28/63/206252863.db2.gz	UCEQHFNUULFXBI-UHFFFAOYSA-N	-1	0	365.385	4.491	1	10		FICFRM
O=C([O-])[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000004131758	136151758	/nfs/dbraw/zinc/15/17/58/136151758.db2.gz	LBDYSHXIVYPQCI-KTORYTAQSA-N	-1	0	372.262	4.055	1	10		FICFRM
CO[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)[O-])c2)C1	ZINC000039194388	205044551	/nfs/dbraw/zinc/04/45/51/205044551.db2.gz	RUHKAQGPNWCTGC-KRWDZBQOSA-N	-1	0	363.413	4.052	1	10		FICFRM
O=C([O-])[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@@H]31	ZINC000004131754	136151746	/nfs/dbraw/zinc/15/17/46/136151746.db2.gz	LBDYSHXIVYPQCI-WOIDLZKHSA-N	-1	0	372.262	4.055	1	10		FICFRM
O=C([O-])[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000004131756	136151762	/nfs/dbraw/zinc/15/17/62/136151762.db2.gz	LBDYSHXIVYPQCI-ARBLVEDDSA-N	-1	0	372.262	4.055	1	10		FICFRM
CCOc1ccccc1-c1c2cc(O)c([O-])cc2oc2cc(=O)c(O)cc1-2	ZINC000004893392	207058943	/nfs/dbraw/zinc/05/89/43/207058943.db2.gz	WGMMUHMORCJCQB-UHFFFAOYSA-N	-1	0	364.353	4.080	3	10		FICFRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1	ZINC000040934920	208274731	/nfs/dbraw/zinc/27/47/31/208274731.db2.gz	FVIKEIHOYKQWGD-UYRXBGFRSA-N	-1	0	372.380	4.451	1	10		FICFRM
CC(C)=CCc1cc2c3oc4cc(O)c(O)cc4c3c(=O)oc2cc1[O-]	ZINC000043021437	208301049	/nfs/dbraw/zinc/30/10/49/208301049.db2.gz	QQFZXERRGYMNKV-UHFFFAOYSA-N	-1	0	352.342	4.318	1	10		FICFRM
Cc1oc(C(=O)[O-])cc1COc1ccc(-c2ccc3c(c2)OCO3)cc1	ZINC000140419229	222547413	/nfs/dbraw/zinc/54/74/13/222547413.db2.gz	IYCFMYBIPRJSRP-UHFFFAOYSA-N	-1	0	352.342	4.261	1	10		FICFRM
O=C([O-])c1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1	ZINC000001009756	219352486	/nfs/dbraw/zinc/35/24/86/219352486.db2.gz	AEAPRFCJDOSCGL-LHQXNBGVSA-N	-1	0	367.451	4.347	1	10		FICFRM
COc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	ZINC000101199719	222264898	/nfs/dbraw/zinc/26/48/98/222264898.db2.gz	VGJSJDNAZISIOH-BIENJYKASA-N	-1	0	366.373	4.128	1	10		FICFRM
COc1ccc(-c2cc3c(n2-c2ccc(O)c(C(=O)[O-])c2)CCCC3)cc1	ZINC000039194362	211707061	/nfs/dbraw/zinc/70/70/61/211707061.db2.gz	WPVMJVSAKWEMQK-UHFFFAOYSA-N	-1	0	363.413	4.436	1	10		FICFRM
CC(C)=CCCc1c(O)c2c(c(O)c1Cl)C(=O)c1ccccc1C2=O	ZINC000014491143	291079838	/nfs/dbraw/zinc/07/98/38/291079838.db2.gz	OMNIOLUJTUKRAH-UHFFFAOYSA-N	-1	0	356.805	4.425	1	10	biogenic,in-vitro	FICFRM
O=C([O-])[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@H]31	ZINC000004131760	136151745	/nfs/dbraw/zinc/15/17/45/136151745.db2.gz	LBDYSHXIVYPQCI-SRLNJWDMSA-N	-1	0	372.262	4.055	1	10		FICFRM
COc1cccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)c1	ZINC000102656801	222302143	/nfs/dbraw/zinc/30/21/43/222302143.db2.gz	QWZDAYOWZVUNRA-FCQUAONHSA-N	-1	0	360.377	4.108	1	10		FICFRM
COc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	ZINC000013389187	220065385	/nfs/dbraw/zinc/06/53/85/220065385.db2.gz	VGJSJDNAZISIOH-PJIJBLCYSA-N	-1	0	366.373	4.128	1	10		FICFRM
COc1cccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)c1	ZINC000101488521	222276299	/nfs/dbraw/zinc/27/62/99/222276299.db2.gz	QWZDAYOWZVUNRA-GHVJWSGMSA-N	-1	0	360.377	4.108	1	10		FICFRM
CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(C)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000015120529	560228601	/nfs/dbraw/zinc/22/86/01/560228601.db2.gz	QTORDDSSLVGNHO-BGTMZHHNSA-N	-1	0	356.418	4.087	1	10	in-vitro	FICFRM
COc1cc([O-])cc2occ(-c3cc(O)c(O)c(CC=C(C)C)c3)c(=O)c12	ZINC000014762999	220131995	/nfs/dbraw/zinc/13/19/95/220131995.db2.gz	PYVPKOSKOWDDSV-UHFFFAOYSA-N	-1	0	368.385	4.094	1	10		FICFRM