smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2cc(C([O-])=C(C#N)c3ccccn3)sc21	ZINC000344859260	225203452	/nfs/dbraw/zinc/20/34/52/225203452.db2.gz	ZJNUCNAIOWYHIZ-CYBMUJFWSA-N	-1	3	292.363	4.095	20	30		CIEDHM
C=CCC[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1	ZINC000188523137	264121570	/nfs/dbraw/zinc/12/15/70/264121570.db2.gz	NGFHWXQSHBBYDB-OAHLLOKOSA-N	-1	3	281.355	4.081	20	30		CIEDHM
C=C(C)CCc1noc(-c2ccc(C(C)C)cc2[O-])n1	ZINC000436687579	330682654	/nfs/dbraw/zinc/68/26/54/330682654.db2.gz	ROSOSEJZLDGOAM-UHFFFAOYSA-N	-1	3	272.348	4.074	20	30		CIEDHM
C=CCC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccc1	ZINC000500292012	332604347	/nfs/dbraw/zinc/60/43/47/332604347.db2.gz	YEPCGAGWHFSVCC-KRWDZBQOSA-N	-1	3	295.382	4.138	20	30		CIEDHM
Cc1csc(C(C#N)=C([O-])c2cccc(C3CCC3)c2)n1	ZINC000546679893	334045600	/nfs/dbraw/zinc/04/56/00/334045600.db2.gz	PFHRVPYUNRUKDS-HNNXBMFYSA-N	-1	3	296.395	4.209	20	30		CIEDHM
Cc1csc(C(C#N)=C([O-])c2ccc(C3CCC3)cc2)n1	ZINC000192187749	335091187	/nfs/dbraw/zinc/09/11/87/335091187.db2.gz	JRGOLVZOHFPVGH-HNNXBMFYSA-N	-1	3	296.395	4.209	20	30		CIEDHM
C=CCC(CC=C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-]	ZINC000531833146	328041249	/nfs/dbraw/zinc/04/12/49/328041249.db2.gz	NPCAWNRYWARKQN-UHFFFAOYSA-N	-1	3	299.292	4.118	20	30		CIEDHM
C=CCN(CC1CCCCC1)[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000569491901	327185054	/nfs/dbraw/zinc/18/50/54/327185054.db2.gz	DYTMWEWYOHPIKY-ZDUSSCGKSA-N	-1	3	291.391	4.107	20	30		CIEDHM
C=C(C)CCc1noc(-c2cc3ccccc3cc2[O-])n1	ZINC000436689495	330682784	/nfs/dbraw/zinc/68/27/84/330682784.db2.gz	RPUNDGCTFJYLTO-UHFFFAOYSA-N	-1	3	280.327	4.104	20	30		CIEDHM
Cc1ccc2sc(C([O-])=C(C#N)c3ccccn3)cc2c1	ZINC000355095164	534542992	/nfs/dbraw/zinc/54/29/92/534542992.db2.gz	IJGZMTMVQHCBQJ-CYBMUJFWSA-N	-1	3	292.363	4.095	20	30		CIEDHM
Cc1csc(C(C#N)=C([O-])c2cccc(C3CCC3)c2)n1	ZINC000546679894	334045462	/nfs/dbraw/zinc/04/54/62/334045462.db2.gz	PFHRVPYUNRUKDS-OAHLLOKOSA-N	-1	3	296.395	4.209	20	30		CIEDHM
N#Cc1ccc(-c2csc(-c3ccccc3[O-])n2)cc1	ZINC000048785651	328322302	/nfs/dbraw/zinc/32/23/02/328322302.db2.gz	XNPYQRUENWUSIX-UHFFFAOYSA-N	-1	3	278.336	4.054	20	30		CIEDHM
Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)n1	ZINC000330409127	263930946	/nfs/dbraw/zinc/93/09/46/263930946.db2.gz	SHFTZGLENXTXHR-UHFFFAOYSA-N	-1	3	298.386	4.338	20	30		CIEDHM
C=CCCc1ccccc1NCc1cc([O-])cc(F)c1	ZINC000500449715	332609746	/nfs/dbraw/zinc/60/97/46/332609746.db2.gz	XCYMGTHCHFZRTH-UHFFFAOYSA-N	-1	3	271.335	4.262	20	30		CIEDHM
C=CCC(CC=C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1	ZINC000134220706	334084750	/nfs/dbraw/zinc/08/47/50/334084750.db2.gz	PBYKTFVEMNRFGP-UHFFFAOYSA-N	-1	3	299.292	4.118	20	30		CIEDHM
N#Cc1ccsc1[N-]C(=O)c1cc2sccc2s1	ZINC000518171560	260347870	/nfs/dbraw/zinc/34/78/70/260347870.db2.gz	ZWOAUFXIIUCCKS-UHFFFAOYSA-N	-1	3	290.394	4.148	20	30		CIEDHM
CCCCCCC[C@H](CC(=O)[O-])NCc1ccc(CC)o1	ZINC000277333074	263040627	/nfs/dbraw/zinc/04/06/27/263040627.db2.gz	OLSCZHRPLIMZJV-CQSZACIVSA-N	-1	3	295.423	4.135	20	30		CIEDHM
C=CCC(CC=C)C(=O)N1CC[C@H](C)c2cccc([O-])c21	ZINC000469242205	331448224	/nfs/dbraw/zinc/44/82/24/331448224.db2.gz	HRBVYFUKOVDBSZ-ZDUSSCGKSA-N	-1	3	285.387	4.001	20	30		CIEDHM
CSc1ccc(/C=C/C(=O)c2cccc([O-])c2)cc1	ZINC000008322410	170331135	/nfs/dbraw/zinc/33/11/35/170331135.db2.gz	YZVOJJFYKRXHPP-JXMROGBWSA-N	-1	3	270.353	4.010	20	30		CIEDHM
Cc1cccc2cc(C([O-])=C(C#N)c3ccccn3)sc21	ZINC000344859262	225203050	/nfs/dbraw/zinc/20/30/50/225203050.db2.gz	ZJNUCNAIOWYHIZ-ZDUSSCGKSA-N	-1	3	292.363	4.095	20	30		CIEDHM
C=CCC(CC=C)C(=O)Nc1cc(Cl)cc(C)c1[O-]	ZINC000531833122	328041112	/nfs/dbraw/zinc/04/11/12/328041112.db2.gz	HWQOHZWVGAYADD-UHFFFAOYSA-N	-1	3	279.767	4.061	20	30		CIEDHM
C=CCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCC1	ZINC000478859350	331715604	/nfs/dbraw/zinc/71/56/04/331715604.db2.gz	TWLWGXJXWDUFJB-UHFFFAOYSA-N	-1	3	279.767	4.039	20	30		CIEDHM
C=CCCc1ccccc1NC(=O)c1ccc([O-])c(CC)c1	ZINC000488565021	332017746	/nfs/dbraw/zinc/01/77/46/332017746.db2.gz	RSDFWXLLPYSCAB-UHFFFAOYSA-N	-1	3	295.382	4.326	20	30		CIEDHM
N#Cc1ccc(/C=C/c2ccc3cccc([O-])c3n2)s1	ZINC000176404299	333041798	/nfs/dbraw/zinc/04/17/98/333041798.db2.gz	UOEMKFVQPKKFPE-VOTSOKGWSA-N	-1	3	278.336	4.044	20	30		CIEDHM
CCCCCCCC(=O)Nc1cc(Cl)ccc1[O-]	ZINC000043781043	175105476	/nfs/dbraw/zinc/10/54/76/175105476.db2.gz	ZVJYWGLCOKVUCJ-UHFFFAOYSA-N	-1	3	269.772	4.345	20	30		CIEDHM
C=CCC[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1	ZINC000188523114	264122009	/nfs/dbraw/zinc/12/20/09/264122009.db2.gz	NGFHWXQSHBBYDB-HNNXBMFYSA-N	-1	3	281.355	4.081	20	30		CIEDHM
C=CCCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-]	ZINC000468192261	331429885	/nfs/dbraw/zinc/42/98/85/331429885.db2.gz	MVONEDAOIYSTPL-UHFFFAOYSA-N	-1	3	289.419	4.287	20	30		CIEDHM
Cc1noc(C2CC2)c1[N-]C(=O)c1sccc1Cl	ZINC000329090086	534386635	/nfs/dbraw/zinc/38/66/35/534386635.db2.gz	IVVTYRGTNQKZKZ-UHFFFAOYSA-N	-1	3	282.752	4.212	20	30		CIEDHM
C=CCC[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1	ZINC000427660487	260800744	/nfs/dbraw/zinc/80/07/44/260800744.db2.gz	SSXNXXYNPDSBDU-HNNXBMFYSA-N	-1	3	299.345	4.220	20	30		CIEDHM
C=CCCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1	ZINC000476450914	331664215	/nfs/dbraw/zinc/66/42/15/331664215.db2.gz	HNGSXXYTDDXWQM-UHFFFAOYSA-N	-1	3	279.767	4.039	20	30		CIEDHM
C=C(C)CN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-]	ZINC000479211131	331721988	/nfs/dbraw/zinc/72/19/88/331721988.db2.gz	FGMACGFBAPGQRO-UHFFFAOYSA-N	-1	3	289.419	4.287	20	30		CIEDHM
CCCCCCC[C@@H](CC(=O)[O-])NCc1ccc(CC)o1	ZINC000277333070	263040651	/nfs/dbraw/zinc/04/06/51/263040651.db2.gz	OLSCZHRPLIMZJV-AWEZNQCLSA-N	-1	3	295.423	4.135	20	30		CIEDHM
C=CCC[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1	ZINC000187398228	327714434	/nfs/dbraw/zinc/71/44/34/327714434.db2.gz	BDHHGSMUIHTDLM-CQSZACIVSA-N	-1	3	299.345	4.220	20	30		CIEDHM
C=CCN(CC1CCCCC1)[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000569491900	327185015	/nfs/dbraw/zinc/18/50/15/327185015.db2.gz	DYTMWEWYOHPIKY-CYBMUJFWSA-N	-1	3	291.391	4.107	20	30		CIEDHM
N#Cc1csc(/C=C/c2ccc3cccc([O-])c3n2)c1	ZINC000176840524	333048527	/nfs/dbraw/zinc/04/85/27/333048527.db2.gz	CRHNWXCDFWMYAH-VOTSOKGWSA-N	-1	3	278.336	4.044	20	30		CIEDHM
CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1Cl	ZINC000191374193	333218772	/nfs/dbraw/zinc/21/87/72/333218772.db2.gz	JHPAFNKISIICQP-CQSZACIVSA-N	-1	3	298.773	4.348	20	30		CIEDHM
CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1Cl	ZINC000191374174	333218828	/nfs/dbraw/zinc/21/88/28/333218828.db2.gz	JHPAFNKISIICQP-AWEZNQCLSA-N	-1	3	298.773	4.348	20	30		CIEDHM
C=CCC(F)(F)C(=O)[N-]c1onc(C2CCCCC2)c1C	ZINC000297857208	260136065	/nfs/dbraw/zinc/13/60/65/260136065.db2.gz	SJYDZAIXACGFJP-UHFFFAOYSA-N	-1	3	298.333	4.181	20	30		CIEDHM
CCc1cc(C#N)c([N-]C(=O)c2sccc2Cl)s1	ZINC000334222264	263495190	/nfs/dbraw/zinc/49/51/90/263495190.db2.gz	VFDWLVGKMINCMZ-UHFFFAOYSA-N	-1	3	296.804	4.149	20	30		CIEDHM
Cc1ccc2c(c1)scc2C([O-])=C(C#N)c1ccccn1	ZINC000361664511	266867554	/nfs/dbraw/zinc/86/75/54/266867554.db2.gz	MVOBRXLBNVPFBL-CYBMUJFWSA-N	-1	3	292.363	4.095	20	30		CIEDHM
Cc1csc(C(C#N)=C([O-])c2ccc(C3CCC3)cc2)n1	ZINC000192187754	335091122	/nfs/dbraw/zinc/09/11/22/335091122.db2.gz	JRGOLVZOHFPVGH-OAHLLOKOSA-N	-1	3	296.395	4.209	20	30		CIEDHM
C=CCC1(NC(=O)c2cc([O-])ccc2Cl)CCCCC1	ZINC000456357869	331190709	/nfs/dbraw/zinc/19/07/09/331190709.db2.gz	AHULCVAFOLMAEX-UHFFFAOYSA-N	-1	3	293.794	4.054	20	30		CIEDHM
Cc1ccc2sc(C([O-])=C(C#N)c3ccccn3)cc2c1	ZINC000355095165	534543151	/nfs/dbraw/zinc/54/31/51/534543151.db2.gz	IJGZMTMVQHCBQJ-ZDUSSCGKSA-N	-1	3	292.363	4.095	20	30		CIEDHM
CC(C)(C)C1CCC(CNC(=O)c2csc(=O)[n-]2)CC1	ZINC000329977289	527630825	/nfs/dbraw/zinc/63/08/25/527630825.db2.gz	FZQOUTVTHLZMFO-UHFFFAOYSA-N	-1	3	296.436	4.006	20	30		CIEDHM
N#Cc1ccsc1[N-]C(=O)c1ccc(-c2ccccc2)o1	ZINC000342171466	130361882	/nfs/dbraw/zinc/36/18/82/130361882.db2.gz	IWTGONIIYKSCFF-UHFFFAOYSA-N	-1	3	294.335	4.132	20	30		CIEDHM
N#Cc1cccc(-c2csc(-c3ccccc3[O-])n2)c1	ZINC000070092545	328387685	/nfs/dbraw/zinc/38/76/85/328387685.db2.gz	BRLGXQBPYFXOTA-UHFFFAOYSA-N	-1	3	278.336	4.054	20	30		CIEDHM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-]	ZINC000501967427	332643781	/nfs/dbraw/zinc/64/37/81/332643781.db2.gz	PVYQNVMPCQFOMN-LBPRGKRZSA-N	-1	3	275.392	4.231	20	30		CIEDHM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-]	ZINC000501967426	332644184	/nfs/dbraw/zinc/64/41/84/332644184.db2.gz	PVYQNVMPCQFOMN-GFCCVEGCSA-N	-1	3	275.392	4.231	20	30		CIEDHM
C=CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-]	ZINC000512904471	332993273	/nfs/dbraw/zinc/99/32/73/332993273.db2.gz	UZROCKUXKKJVKN-UHFFFAOYSA-N	-1	3	275.392	4.231	20	30		CIEDHM
C=CCN(Cc1ccsc1C(=O)[O-])CC1CCCCC1	ZINC000517159759	333093646	/nfs/dbraw/zinc/09/36/46/333093646.db2.gz	XVQIDYAPVKZNOM-UHFFFAOYSA-N	-1	3	293.432	4.015	20	30		CIEDHM