smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OC(=O)/C(C#N)=C\c1ccc([O-])cc1)c1ccc(C(=O)[O-])o1	ZINC000827802194	601590013	/nfs/dbraw/zinc/59/00/13/601590013.db2.gz	FAIAFNCZENEXOV-BKLZJWBFSA-N	-2	3	327.292	2.895	20	50		EFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000833064031	601590475	/nfs/dbraw/zinc/59/04/75/601590475.db2.gz	OWUXJOMPALAVRK-QPEQYQDCSA-N	-2	3	341.294	2.880	20	50		EFGDHL
O=C([O-])[C@H](C(=O)NNc1nc2ccccc2[n-]c1=S)C1CCCC1	ZINC001594836471	954030327	/nfs/dbraw/zinc/03/03/27/954030327.db2.gz	WEQNLWUIZVNVAY-LBPRGKRZSA-N	-2	3	346.412	2.626	20	50		EFGDHL
CCc1ccc(C(=O)N[N-]C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC001597501208	988065576	/nfs/dbraw/zinc/06/55/76/988065576.db2.gz	ZBNIXQZTTZEUIZ-UHFFFAOYSA-N	-2	3	346.770	2.675	20	50		EFGDHL
COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc([O-])ccc1Cl	ZINC001599376527	998494649	/nfs/dbraw/zinc/49/46/49/998494649.db2.gz	ONTZNSPQINLFNT-UHFFFAOYSA-N	-2	3	336.731	2.509	20	50		EFGDHL
O=C([O-])c1cccc(C(=O)NNc2nc3ccccc3[n-]c2=S)c1	ZINC001595241201	949458787	/nfs/dbraw/zinc/45/87/87/949458787.db2.gz	DMGVZQHXGODICJ-UHFFFAOYSA-N	-2	3	340.364	2.747	20	50		EFGDHL
O=C([O-])[C@@H](C(=O)NNc1nc2ccccc2[n-]c1=S)C1CCCC1	ZINC001594836470	954030651	/nfs/dbraw/zinc/03/06/51/954030651.db2.gz	WEQNLWUIZVNVAY-GFCCVEGCSA-N	-2	3	346.412	2.626	20	50		EFGDHL
CC(C)(C)CC[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001588644784	959723907	/nfs/dbraw/zinc/72/39/07/959723907.db2.gz	CSDSVYLUUMCPHB-VOMSXAGXSA-N	-2	3	330.384	2.695	20	50		EFGDHL
CC(C)C[C@H](CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)CC(=O)[O-]	ZINC001588887344	962182127	/nfs/dbraw/zinc/18/21/27/962182127.db2.gz	HDVFSVVMZPIIFL-QDECMSLZSA-N	-2	3	330.384	2.552	20	50		EFGDHL
COc1cc(C(=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001599372090	998427121	/nfs/dbraw/zinc/42/71/21/998427121.db2.gz	XNMOHXOLMAKALL-JYRVWZFOSA-N	-2	3	338.319	2.645	20	50		EFGDHL
CCc1cc(C(=O)[O-])ccc1NC(=O)N[N-]C(=O)c1ccccc1F	ZINC001597459960	987888701	/nfs/dbraw/zinc/88/87/01/987888701.db2.gz	PZKSBRCIZZRCPS-UHFFFAOYSA-N	-2	3	345.330	2.553	20	50		EFGDHL
CCc1cc(C(=O)[O-])ccc1NC(=O)NN=c1ncc(Cl)c[n-]1	ZINC001597463714	987894081	/nfs/dbraw/zinc/89/40/81/987894081.db2.gz	CFZPXYYGYFNXEP-UHFFFAOYSA-N	-2	3	335.751	2.539	20	50		EFGDHL
Cc1cc(COC(=O)/C(C#N)=C\c2ccc([O-])cc2)oc1C(=O)[O-]	ZINC000832884824	601141764	/nfs/dbraw/zinc/14/17/64/601141764.db2.gz	GFWIRQQKYIXNPX-GHXNOFRVSA-N	-2	3	327.292	2.642	20	50		EFGDHL
Cc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC000833025046	601590567	/nfs/dbraw/zinc/59/05/67/601590567.db2.gz	DMSFHOQAPLHNAQ-WUXMJOGZSA-N	-2	3	327.292	2.642	20	50		EFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001611291363	970977867	/nfs/dbraw/zinc/97/78/67/970977867.db2.gz	QUMZXBKZHFOTPD-GDNBJRDFSA-N	-2	3	336.347	2.955	20	50		EFGDHL
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001591309654	992267873	/nfs/dbraw/zinc/26/78/73/992267873.db2.gz	DLWLTTSAGPVFGP-OQLLNIDSSA-N	-2	3	344.411	2.895	20	50		EFGDHL
CC(C)(C(=O)[O-])c1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)cc1	ZINC000833418396	604734374	/nfs/dbraw/zinc/73/43/74/604734374.db2.gz	IYIXKVCOSYWWRD-UHFFFAOYSA-N	-2	3	349.778	2.641	20	50		EFGDHL
CCC(CC)(C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC001589476103	954960555	/nfs/dbraw/zinc/96/05/55/954960555.db2.gz	XVUZHZYRTNXPEJ-UHFFFAOYSA-N	-2	3	347.198	2.645	20	50		EFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001594601298	956134364	/nfs/dbraw/zinc/13/43/64/956134364.db2.gz	MJOAQDTYDXCQBM-IFCKCIONSA-N	-2	3	348.358	2.904	20	50		EFGDHL
Cc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c([O-])c1	ZINC000738513927	978551314	/nfs/dbraw/zinc/55/13/14/978551314.db2.gz	XOSQCAGYMFRHAI-UHFFFAOYSA-N	-2	3	337.335	2.644	20	50		EFGDHL
CN(C(=O)/C(C#N)=C\c1ccc([O-])cc1)C1(C(=O)[O-])CCCCC1	ZINC001597989960	990078147	/nfs/dbraw/zinc/07/81/47/990078147.db2.gz	HVGWSFZEFVEOPU-KAMYIIQDSA-N	-2	3	328.368	2.545	20	50		EFGDHL
COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(C(C)C)cc1[O-]	ZINC001599376221	998491036	/nfs/dbraw/zinc/49/10/36/998491036.db2.gz	JXQKIYNZOCNSJF-UHFFFAOYSA-N	-2	3	344.367	2.979	20	50		EFGDHL
CCc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC000830379324	601590206	/nfs/dbraw/zinc/59/02/06/601590206.db2.gz	RLMHRWDXGYXUHS-GHXNOFRVSA-N	-2	3	341.319	2.896	20	50		EFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000833064030	601590512	/nfs/dbraw/zinc/59/05/12/601590512.db2.gz	OWUXJOMPALAVRK-NTUHNPAUSA-N	-2	3	341.294	2.880	20	50		EFGDHL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCCCCl	ZINC000276165414	962844029	/nfs/dbraw/zinc/84/40/29/962844029.db2.gz	BWQJVHNPWUOIAD-UHFFFAOYSA-N	-2	3	349.836	2.933	20	50		EFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001611291364	970977778	/nfs/dbraw/zinc/97/77/78/970977778.db2.gz	QUMZXBKZHFOTPD-XNTDXEJSSA-N	-2	3	336.347	2.955	20	50		EFGDHL
Cc1cc(NC(=O)N[N-]C(=O)c2ccccc2Cl)ccc1C(=O)[O-]	ZINC001605202424	972942286	/nfs/dbraw/zinc/94/22/86/972942286.db2.gz	UVNZCKHOSCNFRA-UHFFFAOYSA-N	-2	3	347.758	2.813	20	50		EFGDHL
O=C([O-])c1ccc(C(=O)NNc2nc3ccccc3[n-]c2=S)cc1	ZINC001606478906	973959665	/nfs/dbraw/zinc/95/96/65/973959665.db2.gz	SFFRRFFCJZXILK-UHFFFAOYSA-N	-2	3	340.364	2.747	20	50		EFGDHL
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000833454673	605252275	/nfs/dbraw/zinc/25/22/75/605252275.db2.gz	RTGQVRFUZCXKKH-UHFFFAOYSA-N	-2	3	347.198	2.645	20	50		EFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001594601290	956133835	/nfs/dbraw/zinc/13/38/35/956133835.db2.gz	MJOAQDTYDXCQBM-GWKQRERASA-N	-2	3	348.358	2.904	20	50		EFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001594601306	956134392	/nfs/dbraw/zinc/13/43/92/956134392.db2.gz	MJOAQDTYDXCQBM-VWILAXROSA-N	-2	3	348.358	2.904	20	50		EFGDHL
CN(C(=O)/C(C#N)=C/c1ccc([O-])cc1)C1(C(=O)[O-])CCCCC1	ZINC001597989963	990078209	/nfs/dbraw/zinc/07/82/09/990078209.db2.gz	HVGWSFZEFVEOPU-SDNWHVSQSA-N	-2	3	328.368	2.545	20	50		EFGDHL
C[C@H](OC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccc(C(=O)[O-])o1	ZINC000827802197	601589944	/nfs/dbraw/zinc/58/99/44/601589944.db2.gz	FAIAFNCZENEXOV-MJWAUXSNSA-N	-2	3	327.292	2.895	20	50		EFGDHL
O=C([O-])c1ccccc1NC(=O)N[N-]C(=O)c1ccccc1Cl	ZINC001605815695	972544743	/nfs/dbraw/zinc/54/47/43/972544743.db2.gz	QNPWCNHXXCWHAE-UHFFFAOYSA-N	-2	3	333.731	2.505	20	50		EFGDHL
C[C@@H](Cc1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)cc1)C(=O)[O-]	ZINC001592874077	979738892	/nfs/dbraw/zinc/73/88/92/979738892.db2.gz	XGOIVTWEDRFFMU-VIFPVBQESA-N	-2	3	349.778	2.542	20	50		EFGDHL
C=CCC(F)(F)C(=O)[N-]Nc1cc(C(=O)[O-])ccc1Br	ZINC001588742476	984032633	/nfs/dbraw/zinc/03/26/33/984032633.db2.gz	DUDRGSAGCPSSEV-UHFFFAOYSA-N	-2	3	349.131	2.802	20	50		EFGDHL
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001591309646	992267718	/nfs/dbraw/zinc/26/77/18/992267718.db2.gz	DLWLTTSAGPVFGP-DHDCSXOGSA-N	-2	3	344.411	2.895	20	50		EFGDHL
COc1cc(C(=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001599372091	998427150	/nfs/dbraw/zinc/42/71/50/998427150.db2.gz	XNMOHXOLMAKALL-MDWZMJQESA-N	-2	3	338.319	2.645	20	50		EFGDHL
CC(C)C[C@H](CNC(=O)/C(C#N)=C/c1ccc([O-])cc1)CC(=O)[O-]	ZINC001588887343	962181691	/nfs/dbraw/zinc/18/16/91/962181691.db2.gz	HDVFSVVMZPIIFL-GFKDLEGOSA-N	-2	3	330.384	2.552	20	50		EFGDHL
CC(C)c1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c([O-])c1	ZINC001591942285	976468124	/nfs/dbraw/zinc/46/81/24/976468124.db2.gz	GZQIWEAAYAPTBE-UHFFFAOYSA-N	-2	3	328.368	2.900	20	50		EFGDHL
CCc1cc(C(=O)[O-])ccc1NC(=O)NN=c1ccc(Cl)n[n-]1	ZINC001597465579	987906598	/nfs/dbraw/zinc/90/65/98/987906598.db2.gz	WQTNIPSXPMJMQE-UHFFFAOYSA-N	-2	3	335.751	2.539	20	50		EFGDHL
CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001598509750	992555097	/nfs/dbraw/zinc/55/50/97/992555097.db2.gz	BLNXPCQDEWOAMZ-YBEGLDIGSA-N	-2	3	336.347	2.656	20	50		EFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])s1	ZINC000833063051	602012726	/nfs/dbraw/zinc/01/27/26/602012726.db2.gz	GDRGCIAMEHXNFA-XFFZJAGNSA-N	-2	3	329.333	2.802	20	50		EFGDHL
CSc1ccc([O-])c(C(=O)NNc2ccc(C(=O)[O-])cc2F)c1	ZINC001599820386	988502981	/nfs/dbraw/zinc/50/29/81/988502981.db2.gz	XCLFZHDJBWMDAU-UHFFFAOYSA-N	-2	3	336.344	2.708	20	50		EFGDHL
Cc1cc(COC(=O)/C(C#N)=C/c2ccc([O-])cc2)oc1C(=O)[O-]	ZINC000832884830	601141735	/nfs/dbraw/zinc/14/17/35/601141735.db2.gz	GFWIRQQKYIXNPX-KPKJPENVSA-N	-2	3	327.292	2.642	20	50		EFGDHL
C[C@H](OC(=O)/C(C#N)=C\c1ccc([O-])cc1)c1ccc(C(=O)[O-])o1	ZINC000827802200	601589843	/nfs/dbraw/zinc/58/98/43/601589843.db2.gz	FAIAFNCZENEXOV-UVIKPUKZSA-N	-2	3	327.292	2.895	20	50		EFGDHL
CCc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC000830379325	601590243	/nfs/dbraw/zinc/59/02/43/601590243.db2.gz	RLMHRWDXGYXUHS-KPKJPENVSA-N	-2	3	341.319	2.896	20	50		EFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])s1	ZINC000833063056	602012852	/nfs/dbraw/zinc/01/28/52/602012852.db2.gz	GDRGCIAMEHXNFA-YRNVUSSQSA-N	-2	3	329.333	2.802	20	50		EFGDHL
CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001598509748	992555176	/nfs/dbraw/zinc/55/51/76/992555176.db2.gz	BLNXPCQDEWOAMZ-MHWRWJLKSA-N	-2	3	336.347	2.656	20	50		EFGDHL
CC(C)(C)CC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001588644783	959724251	/nfs/dbraw/zinc/72/42/51/959724251.db2.gz	CSDSVYLUUMCPHB-NRMKIYEFSA-N	-2	3	330.384	2.695	20	50		EFGDHL
C[C@H](Cc1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)cc1)C(=O)[O-]	ZINC001592874076	979738716	/nfs/dbraw/zinc/73/87/16/979738716.db2.gz	XGOIVTWEDRFFMU-SECBINFHSA-N	-2	3	349.778	2.542	20	50		EFGDHL
Cc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC000833025045	601590520	/nfs/dbraw/zinc/59/05/20/601590520.db2.gz	DMSFHOQAPLHNAQ-SDQBBNPISA-N	-2	3	327.292	2.642	20	50		EFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000833062389	601733350	/nfs/dbraw/zinc/73/33/50/601733350.db2.gz	AYFRVLCAGSKCIQ-QPEQYQDCSA-N	-2	3	341.294	2.880	20	50		EFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001594601311	956133936	/nfs/dbraw/zinc/13/39/36/956133936.db2.gz	MJOAQDTYDXCQBM-WKOYGUFESA-N	-2	3	348.358	2.904	20	50		EFGDHL
CC(C)(C)CC[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001588644786	959724527	/nfs/dbraw/zinc/72/45/27/959724527.db2.gz	CSDSVYLUUMCPHB-WVUXNXBLSA-N	-2	3	330.384	2.695	20	50		EFGDHL
CC(C)(C)CC[C@@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001588644785	959724676	/nfs/dbraw/zinc/72/46/76/959724676.db2.gz	CSDSVYLUUMCPHB-VSKPTYQZSA-N	-2	3	330.384	2.695	20	50		EFGDHL
C[C@@H](OC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccc(C(=O)[O-])o1	ZINC000827802203	601589849	/nfs/dbraw/zinc/58/98/49/601589849.db2.gz	FAIAFNCZENEXOV-ZDIKFAODSA-N	-2	3	327.292	2.895	20	50		EFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000833062385	601733381	/nfs/dbraw/zinc/73/33/81/601733381.db2.gz	AYFRVLCAGSKCIQ-NTUHNPAUSA-N	-2	3	341.294	2.880	20	50		EFGDHL