smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1c(=O)[nH]c(=S)n(-c2ccc(Br)cc2)c1[O-]	ZINC000408742192	447679744	/nfs/dbraw/zinc/67/97/44/447679744.db2.gz	QAFWHFJCNMRYPT-MRVPVSSYSA-N	-1	1	327.159	1.012	40	30		EDEBMM
C=CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2C)C(=O)[N-]C1=S	ZINC000408548266	250305286	/nfs/dbraw/zinc/30/52/86/250305286.db2.gz	FJIUGACKIHOGIY-WQLSENKSSA-N	-1	1	346.408	1.825	40	30		EDEBMM
C=CCn1c(=O)[nH]c([O-])c([C@H](O)c2cccc(Cl)c2Cl)c1=O	ZINC000001461669	206289497	/nfs/dbraw/zinc/28/94/97/206289497.db2.gz	ZAECQWRKNJVNQQ-GXSJLCMTSA-N	-1	1	343.166	1.907	40	30		EDEBMM
C=CCn1c(=O)[nH]c([O-])c([C@@H](O)c2cccc(Cl)c2Cl)c1=O	ZINC000001461671	440846415	/nfs/dbraw/zinc/84/64/15/440846415.db2.gz	ZAECQWRKNJVNQQ-ONGXEEELSA-N	-1	1	343.166	1.907	40	30		EDEBMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)C2	ZINC000584578227	448575312	/nfs/dbraw/zinc/57/53/12/448575312.db2.gz	GLBOFXRZEWLFRT-IFXJQAMLSA-N	-1	1	342.347	1.706	40	30		EDEBMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)C2	ZINC000584578227	448575317	/nfs/dbraw/zinc/57/53/17/448575317.db2.gz	GLBOFXRZEWLFRT-IFXJQAMLSA-N	-1	1	342.347	1.706	40	30		EDEBMM
CCN(CC)c1ccc(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000009189451	441103260	/nfs/dbraw/zinc/10/32/60/441103260.db2.gz	MXNPGIULHHPZIE-NWRYFCBHSA-N	-1	1	348.428	1.929	40	30		EDEBMM
Cc1ccc(S(=O)(=O)OC[C@H]2CCCCN2CC(=O)[O-])cc1	ZINC000079390436	442044086	/nfs/dbraw/zinc/04/40/86/442044086.db2.gz	QLBWAENPTWWCAQ-CYBMUJFWSA-N	-1	1	327.402	1.639	40	30		EDEBMM
Cc1ccccc1S(=O)(=O)O[C@H]1[N-]S(=O)(=O)c2ccccc21	ZINC000002043677	292636691	/nfs/dbraw/zinc/63/66/91/292636691.db2.gz	KKDFWTGOOLHBNV-CQSZACIVSA-N	-1	1	339.394	1.691	40	30	in-vitro	EDEBMM
COc1ccccc1N1CCN(c2nc(C)c(CC#N)c(=O)[n-]2)CC1	ZINC000013611426	441162020	/nfs/dbraw/zinc/16/20/20/441162020.db2.gz	KJJJPRQTQDCHLU-UHFFFAOYSA-N	-1	1	339.399	1.480	40	30		EDEBMM
CS[C@@H]1C(C(=O)C2CC2)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716373	441308890	/nfs/dbraw/zinc/30/88/90/441308890.db2.gz	DABDRNOXDBZKGC-QLJPJBMISA-N	-1	1	339.413	1.447	40	30		EDEBMM
O=Cc1ccccc1OCOc1ccccc1CN=Nc1nn[n-]n1	ZINC000006322808	527154941	/nfs/dbraw/zinc/15/49/41/527154941.db2.gz	YBEUSPVIGUSZAW-RQZCQDPDSA-N	-1	1	338.327	1.874	40	30		EDEBMM
CN1C(=C([O-])Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	ZINC000012503102	441134165	/nfs/dbraw/zinc/13/41/65/441134165.db2.gz	WZWYJBNHTWCXIM-RAXLEYEMSA-N	-1	1	337.382	1.799	40	30	world	EDEBMM
CCN(CCC#N)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000006869923	441020717	/nfs/dbraw/zinc/02/07/17/441020717.db2.gz	LACOMTMDHUIRTH-UHFFFAOYSA-N	-1	1	328.397	1.341	40	30		EDEBMM
C#CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000408820512	447679904	/nfs/dbraw/zinc/67/99/04/447679904.db2.gz	YESNZAUEDMFPRF-UHFFFAOYSA-N	-1	1	336.372	1.766	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2cc3c(cc2C)OCO3)C(=O)[N-]C1=S	ZINC000408962734	447681350	/nfs/dbraw/zinc/68/13/50/447681350.db2.gz	UECOFAOBEUQQOM-IZZDOVSWSA-N	-1	1	330.365	1.536	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000222065469	443074671	/nfs/dbraw/zinc/07/46/71/443074671.db2.gz	NFPVTMWICFKBSY-JXMROGBWSA-N	-1	1	347.352	1.416	40	30		EDEBMM
C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000408803993	447680781	/nfs/dbraw/zinc/68/07/81/447680781.db2.gz	BOZUJCGMVPDYDD-UHFFFAOYSA-N	-1	1	336.731	1.663	40	30		EDEBMM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000408803993	447680783	/nfs/dbraw/zinc/68/07/83/447680783.db2.gz	BOZUJCGMVPDYDD-UHFFFAOYSA-N	-1	1	336.731	1.663	40	30		EDEBMM
CC(=O)C(=Cn1c([O-])cc(=O)[nH]c1=S)C(=O)Nc1ccccc1C	ZINC000018118025	441247748	/nfs/dbraw/zinc/24/77/48/441247748.db2.gz	YRUVFDWHPGWNMS-FLIBITNWSA-N	-1	1	345.380	1.040	40	30		EDEBMM
C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408849684	447680513	/nfs/dbraw/zinc/68/05/13/447680513.db2.gz	XVJSFNPVTKZVQE-IZZDOVSWSA-N	-1	1	332.312	1.067	40	30		EDEBMM
N#C[C@]12C(=C([O-])c3ccc(Br)cc3)[C@@]1(C#N)C(N)=NC2=O	ZINC000105767613	441267321	/nfs/dbraw/zinc/26/73/21/441267321.db2.gz	OADMINUTWYYZFK-LEWSCRJBSA-N	-1	1	343.140	1.179	40	30		EDEBMM
CS[C@H]1C(C(=O)C(C)C)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716410	441308712	/nfs/dbraw/zinc/30/87/12/441308712.db2.gz	XZMNIOKWQYZRGA-HWPZZCPQSA-N	-1	1	341.429	1.693	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2ccccc2OCC#N)C(=O)[N-]C1=S	ZINC000408902014	447680441	/nfs/dbraw/zinc/68/04/41/447680441.db2.gz	JWBNHGNEBYIEMW-ZRDIBKRKSA-N	-1	1	327.365	1.402	40	30		EDEBMM
O=Cc1c(=O)[nH]c(=S)n(-c2ccc(Br)cc2)c1[O-]	ZINC000408742194	447680745	/nfs/dbraw/zinc/68/07/45/447680745.db2.gz	QAFWHFJCNMRYPT-QMMMGPOBSA-N	-1	1	327.159	1.012	40	30		EDEBMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2oc1=O	ZINC000029967323	441482039	/nfs/dbraw/zinc/48/20/39/441482039.db2.gz	WYMFITALFADUQX-UHFFFAOYSA-N	-1	1	343.364	1.998	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2cc3c(c(OC)c2)OCO3)C(=O)[N-]C1=S	ZINC000226020281	443121196	/nfs/dbraw/zinc/12/11/96/443121196.db2.gz	TYXNHQLWFIWCGW-BJMVGYQFSA-N	-1	1	346.364	1.237	40	30		EDEBMM
C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	ZINC000408918829	257885955	/nfs/dbraw/zinc/88/59/55/257885955.db2.gz	PNWIRTVEYDJHHC-DHZHZOJOSA-N	-1	1	332.381	1.517	40	30		EDEBMM
C#CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000005006504	210358558	/nfs/dbraw/zinc/35/85/58/210358558.db2.gz	PKLJIUSAXSTBCR-UHFFFAOYSA-N	-1	1	348.742	1.500	40	30		EDEBMM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000005006504	210358562	/nfs/dbraw/zinc/35/85/62/210358562.db2.gz	PKLJIUSAXSTBCR-UHFFFAOYSA-N	-1	1	348.742	1.500	40	30		EDEBMM
CCOc1cc(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)ccc1O	ZINC000013547907	441159873	/nfs/dbraw/zinc/15/98/73/441159873.db2.gz	DKIAGNNSQIXWKJ-URXIRXLPSA-N	-1	1	337.357	1.187	40	30		EDEBMM
CCOc1cc(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)ccc1O	ZINC000013547905	441160413	/nfs/dbraw/zinc/16/04/13/441160413.db2.gz	DKIAGNNSQIXWKJ-LYGDGENHSA-N	-1	1	337.357	1.187	40	30		EDEBMM
C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000004908646	440930473	/nfs/dbraw/zinc/93/04/73/440930473.db2.gz	QJMKIQFMTIQJHR-JOQOYGCGSA-N	-1	1	328.368	1.900	40	30		EDEBMM
C=CCN1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)[N-]C1=S	ZINC000000567214	209666864	/nfs/dbraw/zinc/66/68/64/209666864.db2.gz	AYUAQUZLTCTIKU-POHAHGRESA-N	-1	1	348.380	1.222	40	30		EDEBMM
C#CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000408801802	447680842	/nfs/dbraw/zinc/68/08/42/447680842.db2.gz	BUCLRTKNHAEJSK-UHFFFAOYSA-N	-1	1	349.140	1.211	40	30		EDEBMM
C#CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000408801802	447680845	/nfs/dbraw/zinc/68/08/45/447680845.db2.gz	BUCLRTKNHAEJSK-UHFFFAOYSA-N	-1	1	349.140	1.211	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)C(=O)[N-]C1=S	ZINC000408963536	447681998	/nfs/dbraw/zinc/68/19/98/447681998.db2.gz	CCMLLZAKFDWUQQ-BJMVGYQFSA-N	-1	1	346.364	1.237	40	30		EDEBMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)C2	ZINC000584578228	448575376	/nfs/dbraw/zinc/57/53/76/448575376.db2.gz	GLBOFXRZEWLFRT-KUHUBIRLSA-N	-1	1	342.347	1.706	40	30		EDEBMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)C2	ZINC000584578228	448575381	/nfs/dbraw/zinc/57/53/81/448575381.db2.gz	GLBOFXRZEWLFRT-KUHUBIRLSA-N	-1	1	342.347	1.706	40	30		EDEBMM
O=C([O-])c1ccc(Cl)c(NN=C2C(=O)NC(=S)NC2=O)c1	ZINC000038290755	202133462	/nfs/dbraw/zinc/13/34/62/202133462.db2.gz	AUNHFOXAFDTUJQ-UHFFFAOYSA-N	-1	1	326.721	1.177	40	30		EDEBMM
O=[N+]([O-])c1cc(C=NNc2ncccc2[N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000409072899	250309303	/nfs/dbraw/zinc/30/93/03/250309303.db2.gz	UFTRPYBXJQGOCD-MKMNVTDBSA-N	-1	1	348.231	1.958	40	30		EDEBMM
COc1cc(-c2nc3n(c(=O)c2C#N)CCS3)cc(OC)c1[O-]	ZINC000008570174	441096200	/nfs/dbraw/zinc/09/62/00/441096200.db2.gz	YFAZWHCWVMNVEE-UHFFFAOYSA-N	-1	1	331.353	1.610	40	30		EDEBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC#N	ZINC000107932088	441433578	/nfs/dbraw/zinc/43/35/78/441433578.db2.gz	RSAQCOIBGXELCH-HWKANZROSA-N	-1	1	344.283	1.465	40	30		EDEBMM
O=C([O-])c1ccccc1/C=N/NC(=S)N[C@H]1CN2CCC1CC2	ZINC000001657139	304267071	/nfs/dbraw/zinc/26/70/71/304267071.db2.gz	TYIIYEFESLNGSO-VEJKBTLKSA-N	-1	1	332.429	1.277	40	30		EDEBMM
O=C([O-])c1ccccc1/C=N/NC(=S)N[C@@H]1CN2CCC1CC2	ZINC000001657141	304266952	/nfs/dbraw/zinc/26/69/52/304266952.db2.gz	TYIIYEFESLNGSO-IREQLNLFSA-N	-1	1	332.429	1.277	40	30		EDEBMM
O=c1[nH]cnc2nc(NN=Cc3ccc(Br)cc3)[n-]c21	ZINC000032455565	285201495	/nfs/dbraw/zinc/20/14/95/285201495.db2.gz	MURQUHBOWPKWQS-BNCCVWRVSA-N	-1	1	333.149	1.855	40	30		EDEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)ccc1O	ZINC000408903131	447680167	/nfs/dbraw/zinc/68/01/67/447680167.db2.gz	PTXRNJQFWZDNKB-JLHYYAGUSA-N	-1	1	328.393	1.933	40	30		EDEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OC)c1OCC	ZINC000409071970	250308985	/nfs/dbraw/zinc/30/89/85/250308985.db2.gz	TVPDFZDNSISKQX-UHFFFAOYSA-N	-1	1	346.408	1.737	40	30		EDEBMM
CS[C@@H]1C(C(=O)C(C)C)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716409	441309249	/nfs/dbraw/zinc/30/92/49/441309249.db2.gz	XZMNIOKWQYZRGA-QLJPJBMISA-N	-1	1	341.429	1.693	40	30		EDEBMM
CS[C@H]1C(C(=O)C2CC2)C(=CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716372	441309049	/nfs/dbraw/zinc/30/90/49/441309049.db2.gz	DABDRNOXDBZKGC-QFYYESIMSA-N	-1	1	339.413	1.447	40	30		EDEBMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2	ZINC000004944367	210335140	/nfs/dbraw/zinc/33/51/40/210335140.db2.gz	WJLMNSLVVNUTSB-GFCCVEGCSA-N	-1	1	341.392	1.978	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(=O)[N-]C1=S	ZINC000408902458	447679832	/nfs/dbraw/zinc/67/98/32/447679832.db2.gz	NZJVWPUOEKEXPP-ZRDIBKRKSA-N	-1	1	331.397	1.693	40	30		EDEBMM
CN1C(C([O-])=Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O	ZINC000087724780	277005177	/nfs/dbraw/zinc/00/51/77/277005177.db2.gz	LDJVNWFKNMYYNT-FYWRMAATSA-N	-1	1	331.353	1.738	40	30	in-vitro	EDEBMM
C=CCn1c(=O)[nH]c([O-])c([C@H](O)c2cccc(Cl)c2Cl)c1=O	ZINC000001461670	440845698	/nfs/dbraw/zinc/84/56/98/440845698.db2.gz	ZAECQWRKNJVNQQ-MWLCHTKSSA-N	-1	1	343.166	1.907	40	30		EDEBMM
CS[C@@H]1C(C(=O)C(C)C)C(=CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716407	257691022	/nfs/dbraw/zinc/69/10/22/257691022.db2.gz	XZMNIOKWQYZRGA-MGPLVRAMSA-N	-1	1	341.429	1.693	40	30		EDEBMM
C=CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000004908651	440930481	/nfs/dbraw/zinc/93/04/81/440930481.db2.gz	QJMKIQFMTIQJHR-JCKWVBRZSA-N	-1	1	328.368	1.900	40	30		EDEBMM
COc1ccc(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1OC	ZINC000009189449	211050932	/nfs/dbraw/zinc/05/09/32/211050932.db2.gz	WUCUGRIUQCWWMK-URXIRXLPSA-N	-1	1	337.357	1.100	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)C(=O)[N-]C1=S	ZINC000408902531	447680494	/nfs/dbraw/zinc/68/04/94/447680494.db2.gz	JFTROPANUMCXFN-JLHYYAGUSA-N	-1	1	327.365	1.402	40	30		EDEBMM
O=[N+]([O-])c1ccc(NN=Cc2ccc(O)c(S(=O)(=O)[O-])c2)nc1	ZINC000104361920	219379023	/nfs/dbraw/zinc/37/90/23/219379023.db2.gz	FJJOZWFPOYJDDF-NSIKDUERSA-N	-1	1	338.301	1.388	40	30		EDEBMM
O=c1[nH]ncc(NN=Cc2cc([N+](=O)[O-])c([O-])cc2O)c1Cl	ZINC000013285298	441156814	/nfs/dbraw/zinc/15/68/14/441156814.db2.gz	CRXZGMSWVIIHSP-DXNYSGJVSA-N	-1	1	325.668	1.189	40	30		EDEBMM
O=c1[nH]ncc(NN=Cc2cc([N+](=O)[O-])c(O)cc2[O-])c1Cl	ZINC000013285298	441156819	/nfs/dbraw/zinc/15/68/19/441156819.db2.gz	CRXZGMSWVIIHSP-DXNYSGJVSA-N	-1	1	325.668	1.189	40	30		EDEBMM
COc1ccc(OC)c(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)c1	ZINC000013547915	441160425	/nfs/dbraw/zinc/16/04/25/441160425.db2.gz	YQDVDIPZWYORGR-URXIRXLPSA-N	-1	1	337.357	1.100	40	30		EDEBMM
O=C(/C=C\C#Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)NO	ZINC000031262370	441519405	/nfs/dbraw/zinc/51/94/05/441519405.db2.gz	QRPSQQUYPMFERG-XGICHPGQSA-N	-1	1	342.376	1.901	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000224558898	443098894	/nfs/dbraw/zinc/09/88/94/443098894.db2.gz	RXMCAYCFLBNHLL-YRNVUSSQSA-N	-1	1	331.353	1.716	40	30		EDEBMM
C=CCn1c(=O)[nH]c([O-])c([C@@H](O)c2cccc(Cl)c2Cl)c1=O	ZINC000001461672	440846319	/nfs/dbraw/zinc/84/63/19/440846319.db2.gz	ZAECQWRKNJVNQQ-KOLCDFICSA-N	-1	1	343.166	1.907	40	30		EDEBMM
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OC)C(=O)[N-]C1=S	ZINC000220395430	443065422	/nfs/dbraw/zinc/06/54/22/443065422.db2.gz	MVBQUQHEMFTVOS-DHZHZOJOSA-N	-1	1	347.352	1.416	40	30		EDEBMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(N)=S)cc1	ZINC000001717322	440851282	/nfs/dbraw/zinc/85/12/82/440851282.db2.gz	QJKGPJSGFSJYPB-LICLKQGHSA-N	-1	1	348.453	1.963	40	30		EDEBMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N\NC(N)=S)cc1	ZINC000016930690	441233216	/nfs/dbraw/zinc/23/32/16/441233216.db2.gz	QJKGPJSGFSJYPB-YVLHZVERSA-N	-1	1	348.453	1.963	40	30		EDEBMM
N#CC(C(=O)[O-])C1(C(C#N)C(=O)[O-])CC[NH+](Cc2ccccc2)CC1	ZINC000001705558	303157755	/nfs/dbraw/zinc/15/77/55/303157755.db2.gz	CRWVASSZTJUDNX-GJZGRUSLSA-N	-1	1	341.367	1.718	40	30		EDEBMM
C=CCc1c(COC)nc(N2CCN(c3ccccn3)CC2)[n-]c1=O	ZINC000022448720	519122614	/nfs/dbraw/zinc/12/26/14/519122614.db2.gz	OENKUQUNYIJUJK-UHFFFAOYSA-N	-1	1	341.415	1.366	40	30		EDEBMM
CCOC(=O)c1ccc(-c2ccc(CN=Nc3nn[n-]n3)o2)cc1	ZINC000408978855	447681327	/nfs/dbraw/zinc/68/13/27/447681327.db2.gz	NQZCNMSWNIOQNP-CXUHLZMHSA-N	-1	1	326.316	2.082	40	30		EDEBMM
CCOC(=O)[N-]C(=O)C(C#N)=NNc1ccc(C(=O)OCC)cc1	ZINC000005461492	440954790	/nfs/dbraw/zinc/95/47/90/440954790.db2.gz	YCAUOZXARXFKKY-UNOMPAQXSA-N	-1	1	332.316	1.427	40	30		EDEBMM
COc1cc(Br)c(CN=Nc2nn[n-]n2)cc1OC	ZINC000004150947	210132170	/nfs/dbraw/zinc/13/21/70/210132170.db2.gz	XDMGMJOZYHQJCM-LFYBBSHMSA-N	-1	1	327.142	1.425	40	30		EDEBMM
N#CC(C(=O)[O-])C1(C(C#N)C(=O)[O-])CC[NH+](Cc2ccccc2)CC1	ZINC000001705561	303166082	/nfs/dbraw/zinc/16/60/82/303166082.db2.gz	CRWVASSZTJUDNX-HUUCEWRRSA-N	-1	1	341.367	1.718	40	30		EDEBMM
COc1cc([N+](=O)[O-])ccc1-c1ccc(CN=Nc2nn[n-]n2)o1	ZINC000008816306	441100773	/nfs/dbraw/zinc/10/07/73/441100773.db2.gz	XSGCIQKPQAOBGW-VGOFMYFVSA-N	-1	1	329.276	1.823	40	30		EDEBMM