smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccccc1N1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000408779815	529586480	/nfs/dbraw/zinc/58/64/80/529586480.db2.gz	LFGVHECGLZXJIU-UKTHLTGXSA-N	-2	3	386.860	3.439	40	10		GGCBHL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000408897584	528482859	/nfs/dbraw/zinc/48/28/59/528482859.db2.gz	YOWMQILVPBXRFC-XNTDXEJSSA-N	-2	3	386.791	3.111	40	10		GGCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000408890900	528195768	/nfs/dbraw/zinc/19/57/68/528195768.db2.gz	IEOICWTVJPAWNG-MDWZMJQESA-N	-2	3	386.791	3.111	40	10		GGCBHL
O=C([O-])[C@H]1CCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)coc21	ZINC000027046945	570500812	/nfs/dbraw/zinc/50/08/12/570500812.db2.gz	WZOBJNOPFAHZTE-QGZVFWFLSA-N	-2	3	383.375	3.354	40	10		GGCBHL
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000016160803	221358331	/nfs/dbraw/zinc/35/83/31/221358331.db2.gz	KJYAOSPOSMKQHN-UNOMPAQXSA-N	-2	3	396.406	3.442	40	10		GGCBHL
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1C	ZINC000005753694	204150377	/nfs/dbraw/zinc/15/03/77/204150377.db2.gz	WLTNPMMRTXXONW-RIYZIHGNSA-N	-2	3	386.860	3.494	40	10		GGCBHL
CCc1nc(SC(=Cc2ccc(N(C)C)c(Br)c2)C(=O)[O-])n[n-]1	ZINC000213395280	565896223	/nfs/dbraw/zinc/89/62/23/565896223.db2.gz	WPZWUFUAKMBROH-WQLSENKSSA-N	-2	3	397.298	3.413	40	10		GGCBHL
O=C([O-])[C@H]1CCC[N@@H+]1Cc1c([O-])cc([O-])c2c(=O)c(-c3ccc(F)cc3)coc12	ZINC000004025013	1398376580	/nfs/dbraw/zinc/37/65/80/1398376580.db2.gz	ZIFSINOWVDGDEJ-OAHLLOKOSA-N	-2	3	399.374	3.059	40	10	biogenic	GGCBHL
O=C([O-])[C@H]1CCC[N@H+]1Cc1c([O-])cc([O-])c2c(=O)c(-c3ccc(F)cc3)coc12	ZINC000004025013	1398376586	/nfs/dbraw/zinc/37/65/86/1398376586.db2.gz	ZIFSINOWVDGDEJ-OAHLLOKOSA-N	-2	3	399.374	3.059	40	10	biogenic	GGCBHL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408855997	231122344	/nfs/dbraw/zinc/12/23/44/231122344.db2.gz	IIRUOQSVUXJBKP-DHZHZOJOSA-N	-2	3	376.796	3.016	40	10		GGCBHL
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408883829	231124714	/nfs/dbraw/zinc/12/47/14/231124714.db2.gz	WUADARLUVCQFTP-DHZHZOJOSA-N	-2	3	377.183	3.365	40	10		GGCBHL
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408886990	231124622	/nfs/dbraw/zinc/12/46/22/231124622.db2.gz	KRCQAXOWWROSGB-NTUHNPAUSA-N	-2	3	377.183	3.365	40	10		GGCBHL
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000409022168	231147707	/nfs/dbraw/zinc/14/77/07/231147707.db2.gz	HJYVKXZLQJJYRZ-WUXMJOGZSA-N	-2	3	376.796	3.016	40	10		GGCBHL
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000016427987	210188505	/nfs/dbraw/zinc/18/85/05/210188505.db2.gz	UWWMJRXAVBWDKW-JYRVWZFOSA-N	-2	3	393.624	3.270	40	10		GGCBHL
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-]	ZINC000001146096	209307186	/nfs/dbraw/zinc/30/71/86/209307186.db2.gz	GFNICCOJYANDNN-NTUHNPAUSA-N	-2	3	376.771	3.045	40	10		GGCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)S1	ZINC000032116856	570509122	/nfs/dbraw/zinc/50/91/22/570509122.db2.gz	XEFLGNRQZLMOCR-LICLKQGHSA-N	-2	3	396.424	3.070	40	10		GGCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)S1	ZINC000409078518	526696350	/nfs/dbraw/zinc/69/63/50/526696350.db2.gz	IPAXEGZODBQRRR-LICLKQGHSA-N	-2	3	396.424	3.070	40	10		GGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1[O-]	ZINC000006479365	570743597	/nfs/dbraw/zinc/74/35/97/570743597.db2.gz	FXKTWEXRWIFKKW-KPKJPENVSA-N	-2	3	386.791	3.029	40	10		GGCBHL