smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000101148268	570817304	/nfs/dbraw/zinc/81/73/04/570817304.db2.gz	DISQXXPFWLFDGK-OQLLNIDSSA-N	-2	0	371.780	3.462	50	10		FGCARL
O=C([O-])c1ccccc1-c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000004284433	204130277	/nfs/dbraw/zinc/13/02/77/204130277.db2.gz	QCGYJIWVJKJCCH-UHFFFAOYSA-N	-2	0	364.309	3.380	50	10		FGCARL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000100945116	222258288	/nfs/dbraw/zinc/25/82/88/222258288.db2.gz	VIFURMJJPQZNQB-YBEGLDIGSA-N	-2	0	365.389	3.426	50	10		FGCARL
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000095470881	494978767	/nfs/dbraw/zinc/97/87/67/494978767.db2.gz	HSZATCGZTJQAEY-GXDHUFHOSA-N	-2	0	352.350	3.327	50	10		FGCARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Cl)cc1Cl	ZINC000004147608	493866321	/nfs/dbraw/zinc/86/63/21/493866321.db2.gz	GDADYGXRMBLHTR-UHFFFAOYSA-N	-2	0	362.190	3.198	50	10		FGCARL
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1CC(=O)[O-]	ZINC000004172154	206235955	/nfs/dbraw/zinc/23/59/55/206235955.db2.gz	JKXLUHFYNUHVHI-UHFFFAOYSA-N	-2	0	352.184	3.019	50	10		FGCARL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000016284816	494382543	/nfs/dbraw/zinc/38/25/43/494382543.db2.gz	VIFURMJJPQZNQB-MHWRWJLKSA-N	-2	0	365.389	3.426	50	10		FGCARL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000005048100	493910675	/nfs/dbraw/zinc/91/06/75/493910675.db2.gz	JHEQIHIAKPKIIW-UHFFFAOYSA-N	-2	0	363.178	3.408	50	10		FGCARL
O=C([O-])C[C@@H](NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000071767401	494100139	/nfs/dbraw/zinc/10/01/39/494100139.db2.gz	KQRNGKSRSYXPKA-YYZBOFOMSA-N	-2	0	356.338	3.151	50	10		FGCARL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000018209605	494428611	/nfs/dbraw/zinc/42/86/11/494428611.db2.gz	ZZDQYKQJOSBZLE-MHWRWJLKSA-N	-2	0	351.362	3.117	50	10		FGCARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)c1	ZINC000032124550	493976008	/nfs/dbraw/zinc/97/60/08/493976008.db2.gz	OQHJSOSZNUBMCF-ATVHPVEESA-N	-2	0	374.352	3.106	50	10		FGCARL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000034235030	494065958	/nfs/dbraw/zinc/06/59/58/494065958.db2.gz	WBSPIDVAXUVDQY-XNTDXEJSSA-N	-2	0	352.350	3.327	50	10		FGCARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O	ZINC000004148290	219548983	/nfs/dbraw/zinc/54/89/83/219548983.db2.gz	KKFDHCOVPAIGKL-UHFFFAOYSA-N	-2	0	362.190	3.198	50	10		FGCARL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016160786	211156472	/nfs/dbraw/zinc/15/64/72/211156472.db2.gz	KNDAJOHWHLGTNB-ZROIWOOFSA-N	-2	0	356.313	3.158	50	10		FGCARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000017130508	220207315	/nfs/dbraw/zinc/20/73/15/220207315.db2.gz	DISQXXPFWLFDGK-DHDCSXOGSA-N	-2	0	371.780	3.462	50	10		FGCARL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000016156591	494380992	/nfs/dbraw/zinc/38/09/92/494380992.db2.gz	IQSOOSHARLCYKH-ZROIWOOFSA-N	-2	0	370.361	3.196	50	10		FGCARL
O=C1c2ccccc2N=C([O-])C1=NNc1cc(S(=O)(=O)[O-])ccc1O	ZINC000006424123	493963232	/nfs/dbraw/zinc/96/32/32/493963232.db2.gz	XZXNMELNXSTYBI-ISLYRVAYSA-N	-2	0	361.335	3.014	50	10		FGCARL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)c1	ZINC000005647375	219691886	/nfs/dbraw/zinc/69/18/86/219691886.db2.gz	OQHJSOSZNUBMCF-SFQUDFHCSA-N	-2	0	374.352	3.106	50	10		FGCARL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016292705	220182331	/nfs/dbraw/zinc/18/23/31/220182331.db2.gz	GLSZLPLECBWXAM-GDNBJRDFSA-N	-2	0	352.350	3.327	50	10		FGCARL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)o1	ZINC000002125981	493800914	/nfs/dbraw/zinc/80/09/14/493800914.db2.gz	YIDKIGRXGSITHW-SFQUDFHCSA-N	-2	0	374.352	3.106	50	10		FGCARL
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3ccccc3)S2)cc(C(=O)[O-])c1	ZINC000016928255	204644177	/nfs/dbraw/zinc/64/41/77/204644177.db2.gz	VAQMGWHHOLDTBB-NSIKDUERSA-N	-2	0	368.370	3.165	50	10		FGCARL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000004982645	204182465	/nfs/dbraw/zinc/18/24/65/204182465.db2.gz	WBSPIDVAXUVDQY-GDNBJRDFSA-N	-2	0	352.350	3.327	50	10		FGCARL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(F)cc1	ZINC000009235228	204359224	/nfs/dbraw/zinc/35/92/24/204359224.db2.gz	RSIYQFOQUWGZRI-FPYGCLRLSA-N	-2	0	370.340	3.101	50	10		FGCARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1	ZINC000004599053	207031008	/nfs/dbraw/zinc/03/10/08/207031008.db2.gz	ZWNJQTKNTVWTLI-SFQUDFHCSA-N	-2	0	374.352	3.106	50	10		FGCARL
CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000009043305	494113177	/nfs/dbraw/zinc/11/31/77/494113177.db2.gz	QOGBKZSONVVVKU-XFFZJAGNSA-N	-2	0	374.736	3.230	50	10		FGCARL
Cc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000016156575	494380873	/nfs/dbraw/zinc/38/08/73/494380873.db2.gz	JZYMQYJOPYQMMG-XNTDXEJSSA-N	-2	0	350.330	3.200	50	10		FGCARL
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1CCC(=O)[O-]	ZINC000004180642	493868603	/nfs/dbraw/zinc/86/86/03/493868603.db2.gz	MCFIWWZBEUXLJM-UHFFFAOYSA-N	-2	0	366.211	3.410	50	10		FGCARL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1cccc(C)c1	ZINC000008997461	219873504	/nfs/dbraw/zinc/87/35/04/219873504.db2.gz	UISVCODYAGXBCI-BQYQJAHWSA-N	-2	0	366.377	3.270	50	10		FGCARL
O=C([O-])C[C@H](NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000071767400	221372943	/nfs/dbraw/zinc/37/29/43/221372943.db2.gz	KQRNGKSRSYXPKA-PXKHIBQASA-N	-2	0	356.338	3.151	50	10		FGCARL