smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1c(C)nc(Nc2ccccc2)[n-]c1=O	ZINC000009939329	346746004	/nfs/dbraw/zinc/74/60/04/346746004.db2.gz	WEMZQFDEKKTXHP-UHFFFAOYSA-N	-1	1	241.294	2.550	40	30		BFEBMM
C/C(=N/[O-])c1ccc(C(F)(F)F)cc1	ZINC000012417363	342851810	/nfs/dbraw/zinc/85/18/10/342851810.db2.gz	KKWYDFPUEGTJRD-MLPAPPSSSA-N	-1	1	203.163	2.904	40	30		BFEBMM
O=C([O-])c1ccccc1N=NCc1ccccc1	ZINC000031613704	343221857	/nfs/dbraw/zinc/22/18/57/343221857.db2.gz	JWHPRNIQGLRBPH-GDNBJRDFSA-N	-1	1	240.262	2.831	40	30		BFEBMM
N#Cc1ccccc1-c1ccc(/C=N\[O-])o1	ZINC000138861454	350865197	/nfs/dbraw/zinc/86/51/97/350865197.db2.gz	OPQWQKNAVKECPH-ZSOIEALJSA-N	-1	1	212.208	2.626	40	30		BFEBMM
Cc1[n-]c(=O)c(C#N)c(C)c1-c1ccccc1	ZINC000008618915	370343180	/nfs/dbraw/zinc/34/31/80/370343180.db2.gz	YJAGAPFQJDVQMF-UHFFFAOYSA-N	-1	1	224.263	2.530	40	30		BFEBMM
[O-]/N=C(/c1ccc(O)cc1O)C1CCCCC1	ZINC000005943963	384136846	/nfs/dbraw/zinc/13/68/46/384136846.db2.gz	YBVACPOFWWVVIC-BUHFOSPRSA-N	-1	1	235.283	2.856	40	30		BFEBMM
C#CCOc1c(Cl)cc(Cl)cc1/C=N/[O-]	ZINC000409053294	385462967	/nfs/dbraw/zinc/46/29/67/385462967.db2.gz	BUFZUODUPXLUMH-AWNIVKPZSA-N	-1	1	244.077	2.814	40	30		BFEBMM
O=C1c2ccccc2-c2ccccc2/C1=N/[O-]	ZINC000017285134	342923008	/nfs/dbraw/zinc/92/30/08/342923008.db2.gz	SFWCXJFWZCIEFJ-SQFISAMPSA-N	-1	1	223.231	2.728	40	30		BFEBMM
[O-]c1c(O)ccc(/C=N/c2ccccc2)c1O	ZINC000017284131	183267575	/nfs/dbraw/zinc/26/75/75/183267575.db2.gz	VHOVVVIQTPGKFP-RIYZIHGNSA-N	-1	1	229.235	2.554	40	30		BFEBMM
O=C1c2ccccc2/C(=N\[O-])[C@H]1c1ccccc1	ZINC000098174785	527127549	/nfs/dbraw/zinc/12/75/49/527127549.db2.gz	FZRRFJVANVZWRS-ZPTIMJQQSA-N	-1	1	237.258	2.845	40	30		BFEBMM
C/C(=N\[O-])c1ccc(C(F)(F)F)cc1	ZINC000100067388	187290484	/nfs/dbraw/zinc/29/04/84/187290484.db2.gz	KKWYDFPUEGTJRD-AWNIVKPZSA-N	-1	1	203.163	2.904	40	30		BFEBMM
Cc1ccc(-c2ccc(/C=N/[O-])o2)c([N+](=O)[O-])c1	ZINC000020357315	178323343	/nfs/dbraw/zinc/32/33/43/178323343.db2.gz	BTOJERMQFQHHGS-NTUHNPAUSA-N	-1	1	246.222	2.971	40	30		BFEBMM
CCCOc1cc([O-])c(C#N)cc1Cl	ZINC000072219816	259319119	/nfs/dbraw/zinc/31/91/19/259319119.db2.gz	RZGAYTGKEUQGBE-UHFFFAOYSA-N	-1	1	211.648	2.706	40	30		BFEBMM
CC(C)Oc1cc([O-])c(C#N)cc1Cl	ZINC000072219815	259318765	/nfs/dbraw/zinc/31/87/65/259318765.db2.gz	RREMMWTYRFCVPE-UHFFFAOYSA-N	-1	1	211.648	2.704	40	30		BFEBMM
C=CCc1cc(Br)cc(C=O)c1[O-]	ZINC000115964203	398328482	/nfs/dbraw/zinc/32/84/82/398328482.db2.gz	SGUCPSZAPVVCOL-UHFFFAOYSA-N	-1	1	241.084	2.696	40	30		BFEBMM
C=CCSc1nc(C)c(CC(C)C)c(=O)[n-]1	ZINC000027532593	369012770	/nfs/dbraw/zinc/01/27/70/369012770.db2.gz	KMUCNJOBIPZQMR-UHFFFAOYSA-N	-1	1	238.356	2.555	40	30		BFEBMM
CC(C)Oc1ccc(Cl)cc1/C=N/[O-]	ZINC000072209104	385064829	/nfs/dbraw/zinc/06/48/29/385064829.db2.gz	MSJNZSLDBXTKRW-WUXMJOGZSA-N	-1	1	213.664	2.935	40	30		BFEBMM
CC[C@@H](C)/C(=N\[O-])c1cc(C)ccc1O	ZINC000005467624	342764440	/nfs/dbraw/zinc/76/44/40/342764440.db2.gz	HKFMGQOAQVHCFQ-TWLKNAOBSA-N	-1	1	207.273	2.925	40	30		BFEBMM
CCOc1ccc(Br)cc1/C=N\[O-]	ZINC000100221986	384623533	/nfs/dbraw/zinc/62/35/33/384623533.db2.gz	OHTNAXRFUOZZOB-WDZFZDKYSA-N	-1	1	244.088	2.656	40	30		BFEBMM
CC(C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000100685317	519558436	/nfs/dbraw/zinc/55/84/36/519558436.db2.gz	LHLQVTCXGQBUMQ-UHFFFAOYSA-N	-1	1	216.236	2.534	40	30		BFEBMM
CC(=O)C(C(C)=O)=C([O-])c1ccccc1Cl	ZINC000016136423	342906913	/nfs/dbraw/zinc/90/69/13/342906913.db2.gz	IMKKUGJVUXEMNT-YRNVUSSQSA-N	-1	1	238.670	2.944	40	30		BFEBMM
CCCC/C(=N\[O-])c1cc(OC)ccc1O	ZINC000016637460	342913622	/nfs/dbraw/zinc/91/36/22/342913622.db2.gz	ZBOAGNRJRCSYGC-ACCUITESSA-N	-1	1	223.272	2.769	40	30		BFEBMM
CC(=O)C1=C([O-])C[C@@H](c2ccccc2)CC1=O	ZINC000016138834	384453720	/nfs/dbraw/zinc/45/37/20/384453720.db2.gz	RFSXYTQGTXFTJI-NSHDSACASA-N	-1	1	230.263	2.534	40	30		BFEBMM
CC(=O)C1=C([O-])C[C@H](c2ccccc2)CC1=O	ZINC000016138834	384453727	/nfs/dbraw/zinc/45/37/27/384453727.db2.gz	RFSXYTQGTXFTJI-NSHDSACASA-N	-1	1	230.263	2.534	40	30		BFEBMM
O=[N+]([O-])c1ccc(/C(=N/[O-])c2ccccc2)cc1	ZINC000005278354	342761372	/nfs/dbraw/zinc/76/13/72/342761372.db2.gz	LNOLJFCCYQZFBQ-BUHFOSPRSA-N	-1	1	242.234	2.821	40	30		BFEBMM
CC(=O)C1=C([O-])C[C@H](c2ccccc2)CC1=O	ZINC000101406320	188323265	/nfs/dbraw/zinc/32/32/65/188323265.db2.gz	RFSXYTQGTXFTJI-LLVKDONJSA-N	-1	1	230.263	2.534	40	30		BFEBMM
CC(=O)C1=C([O-])C[C@@H](c2ccccc2)CC1=O	ZINC000101406320	188323267	/nfs/dbraw/zinc/32/32/67/188323267.db2.gz	RFSXYTQGTXFTJI-LLVKDONJSA-N	-1	1	230.263	2.534	40	30		BFEBMM
C/C(=N\[O-])c1ccc(OC(F)(F)F)cc1	ZINC000150235764	350038992	/nfs/dbraw/zinc/03/89/92/350038992.db2.gz	UVVGWVHFPSHDQW-AWNIVKPZSA-N	-1	1	219.162	2.783	40	30		BFEBMM
COc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1	ZINC000100244382	175052280	/nfs/dbraw/zinc/05/22/80/175052280.db2.gz	DTYFIFDIWUMTGQ-UXBLZVDNSA-N	-1	1	246.184	2.882	40	30		BFEBMM
[O-]/N=C(/Cc1ccncc1)c1ccccc1	ZINC000034116612	344078627	/nfs/dbraw/zinc/07/86/27/344078627.db2.gz	KWCBOUYPEGGIFG-SQFISAMPSA-N	-1	1	212.252	2.503	40	30		BFEBMM
C=CCOc1ccc(Cl)cc1/C=N/[O-]	ZINC000038974583	350114470	/nfs/dbraw/zinc/11/44/70/350114470.db2.gz	HJIOCUQWOBEZMW-KPKJPENVSA-N	-1	1	211.648	2.713	40	30		BFEBMM
N#Cc1c(=O)[n-]ccc1-c1cccc(Cl)c1	ZINC000041256710	181071979	/nfs/dbraw/zinc/07/19/79/181071979.db2.gz	NHVOCPWAMIRSHU-UHFFFAOYSA-N	-1	1	230.654	2.567	40	30		BFEBMM
CCCC(=O)C1=C([O-])CC(C)(C)CC1=S	ZINC000102942710	384738887	/nfs/dbraw/zinc/73/88/87/384738887.db2.gz	GEFNFMDDLCPDHR-UHFFFAOYSA-N	-1	1	226.341	2.929	40	30		BFEBMM
CCCC(=O)C1=C([S-])CC(C)(C)CC1=O	ZINC000102942710	384738890	/nfs/dbraw/zinc/73/88/90/384738890.db2.gz	GEFNFMDDLCPDHR-UHFFFAOYSA-N	-1	1	226.341	2.929	40	30		BFEBMM
O=[N+]([O-])c1cccc(-c2ccc(/C=N\[O-])o2)c1	ZINC000100558854	384335080	/nfs/dbraw/zinc/33/50/80/384335080.db2.gz	OQNFGUGJYRQEJL-GHXNOFRVSA-N	-1	1	232.195	2.663	40	30		BFEBMM
CC(C)(C)c1ccc(C(=O)C=C(O)C(=O)[O-])cc1	ZINC000100487274	384643179	/nfs/dbraw/zinc/64/31/79/384643179.db2.gz	JWNHJPHNMCJUID-WQLSENKSSA-N	-1	1	248.278	2.693	40	30		BFEBMM
O=C(/C=C\c1ccco1)c1ccc([O-])cc1	ZINC000012410363	384933724	/nfs/dbraw/zinc/93/37/24/384933724.db2.gz	UROHUHJEHDQADU-FPLPWBNLSA-N	-1	1	214.220	2.881	40	30		BFEBMM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/[O-])o1	ZINC000057351215	387131479	/nfs/dbraw/zinc/13/14/79/387131479.db2.gz	ZWWDZEPSTYTZHA-NTUHNPAUSA-N	-1	1	246.222	2.971	40	30		BFEBMM
O=C1c2ccccc2/C(=N\[O-])[C@@H]1c1ccccc1	ZINC000098174786	527127644	/nfs/dbraw/zinc/12/76/44/527127644.db2.gz	FZRRFJVANVZWRS-YZGLPLCXSA-N	-1	1	237.258	2.845	40	30		BFEBMM
N#Cc1ccc(-c2ccc([O-])c(C=O)c2)cc1	ZINC000016946796	181095413	/nfs/dbraw/zinc/09/54/13/181095413.db2.gz	WVSUWLWNKBQQPT-UHFFFAOYSA-N	-1	1	223.231	2.743	40	30		BFEBMM
CC/C(=N\[O-])c1cc(Cl)cc(C)c1O	ZINC000005414720	384115164	/nfs/dbraw/zinc/11/51/64/384115164.db2.gz	STHURFAHMYYWFR-FMIVXFBMSA-N	-1	1	213.664	2.942	40	30		BFEBMM
O=C(C(=N[O-])c1ccccc1)c1ccccc1	ZINC000254341277	527663260	/nfs/dbraw/zinc/66/32/60/527663260.db2.gz	OLBYFEGTUWWPTR-UHFFFAOYSA-N	-1	1	225.247	2.748	40	30		BFEBMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/[O-])o1	ZINC000020352852	178270627	/nfs/dbraw/zinc/27/06/27/178270627.db2.gz	RRYXSBCITFBBIL-NTUHNPAUSA-N	-1	1	246.222	2.971	40	30		BFEBMM
CCCOc1ccc(Cl)cc1/C=N/[O-]	ZINC000011957566	169319051	/nfs/dbraw/zinc/31/90/51/169319051.db2.gz	SNQWGKJYCBRBRL-KPKJPENVSA-N	-1	1	213.664	2.937	40	30		BFEBMM
[O-]/N=C/c1ccc(OCc2ccccc2)cc1O	ZINC000005603354	384120594	/nfs/dbraw/zinc/12/05/94/384120594.db2.gz	WFPFGZUSSLFFPB-OQLLNIDSSA-N	-1	1	243.262	2.779	40	30		BFEBMM
C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(/C=N/O)=N/[O-])(C3)C2	ZINC000217401315	385883173	/nfs/dbraw/zinc/88/31/73/385883173.db2.gz	SRKGMMGPXWMXFH-OKGOBXPMSA-N	-1	1	236.315	2.883	40	30		BFEBMM
C=C(C)Cc1c([O-])ccc2ccc(=O)oc21	ZINC000003851797	188160479	/nfs/dbraw/zinc/16/04/79/188160479.db2.gz	AGBDCAVWZDTBKU-UHFFFAOYSA-N	-1	1	216.236	2.617	40	30		BFEBMM
C=CCSc1cc([O-])c(C(=O)OC)s1	ZINC000096510936	385249629	/nfs/dbraw/zinc/24/96/29/385249629.db2.gz	ZDWJNWOXUOSICX-UHFFFAOYSA-N	-1	1	230.310	2.518	40	30		BFEBMM
O=[N+]([O-])c1ccc(Cl)c(/C(Cl)=N/[O-])c1	ZINC000226099398	386235364	/nfs/dbraw/zinc/23/53/64/386235364.db2.gz	JRMPJFJMJDZURY-YFHOEESVSA-N	-1	1	235.026	2.623	40	30		BFEBMM
CC[C@H](C)/C(=N\[O-])c1cc(C)ccc1O	ZINC000005468472	171246082	/nfs/dbraw/zinc/24/60/82/171246082.db2.gz	HKFMGQOAQVHCFQ-XRNDOFNESA-N	-1	1	207.273	2.925	40	30		BFEBMM
N#Cc1c(=O)[n-]ccc1-c1ccccc1Cl	ZINC000041256708	181072951	/nfs/dbraw/zinc/07/29/51/181072951.db2.gz	JSYONPYPENKRRM-UHFFFAOYSA-N	-1	1	230.654	2.567	40	30		BFEBMM
N#Cc1ccc(F)c(-c2ccc([O-])c(C=O)c2)c1	ZINC000065341873	181113089	/nfs/dbraw/zinc/11/30/89/181113089.db2.gz	YWPWMSLAVGYLMR-UHFFFAOYSA-N	-1	1	241.221	2.882	40	30		BFEBMM
CC(C)COc1cc([O-])c(C#N)cc1Cl	ZINC000072226007	322908954	/nfs/dbraw/zinc/90/89/54/322908954.db2.gz	QVAOHHCSUFCRFN-UHFFFAOYSA-N	-1	1	225.675	2.952	40	30		BFEBMM
CC(=N[O-])c1cccc(C(F)(F)F)c1	ZINC000252462205	519350609	/nfs/dbraw/zinc/35/06/09/519350609.db2.gz	QQGVWMIRCZEUBB-UHFFFAOYSA-N	-1	1	203.163	2.904	40	30		BFEBMM