smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(/C=C2\S/C(=N\CC(=O)[O-])NC2=O)cc1	ZINC000028294912	202169286	/nfs/dbraw/zinc/16/92/86/202169286.db2.gz	UDXQBMJNIYSILC-LCYFTJDESA-N	-1	0	333.413	2.177	40	30		EEEBRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cscn1	ZINC000078411128	202390005	/nfs/dbraw/zinc/39/00/05/202390005.db2.gz	XJIZAFOTZWIYEZ-UHFFFAOYSA-N	-1	0	327.343	2.053	40	30		EEEBRM
Cc1cc(=O)[n-]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N	ZINC000005401593	201650064	/nfs/dbraw/zinc/65/00/64/201650064.db2.gz	CAMPQQTWWRSEJL-UHFFFAOYSA-N	-1	0	329.337	2.438	40	30		EEEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000006362115	206513299	/nfs/dbraw/zinc/51/32/99/206513299.db2.gz	GIXCEAWTQAOQHH-UHFFFAOYSA-N	-1	0	346.408	2.412	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccco1	ZINC000408528782	257898149	/nfs/dbraw/zinc/89/81/49/257898149.db2.gz	WISHMRIACQKGOQ-VVSAQIQQSA-N	-1	0	345.742	2.403	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2C#N)C1=O	ZINC000408526466	466679030	/nfs/dbraw/zinc/67/90/30/466679030.db2.gz	BFIZIJUACJNPGB-CQSZACIVSA-N	-1	0	346.346	2.468	40	30		EEEBRM
O=C([O-])COc1ccc(CN=Nc2nncc(-c3ccccc3)n2)cc1	ZINC000037429104	527617125	/nfs/dbraw/zinc/61/71/25/527617125.db2.gz	MPHXJUOORCALQS-GRSHGNNSSA-N	-1	0	349.350	2.448	40	30		EEEBRM
N#CC(C#N)=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000056672793	441732404	/nfs/dbraw/zinc/73/24/04/441732404.db2.gz	RLXWNTHNSXQSLK-HNENSFHCSA-N	-1	0	326.341	2.382	40	30		EEEBRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298792	463305871	/nfs/dbraw/zinc/30/58/71/463305871.db2.gz	BBPJILIXSLMUGM-UHFFFAOYSA-N	-1	0	327.793	2.384	40	30		EEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNNc1ccccc1	ZINC000408742356	466682886	/nfs/dbraw/zinc/68/28/86/466682886.db2.gz	WEDACMOBMZABJL-XWAFYUISSA-N	-1	0	338.392	2.148	40	30		EEEBRM
COC(=O)c1[n-]c(=O)c(C#N)c(C(=O)OC)c1-c1ccc(F)cc1	ZINC000016941886	292036035	/nfs/dbraw/zinc/03/60/35/292036035.db2.gz	YJBXJAAIYISXEN-UHFFFAOYSA-N	-1	0	330.271	2.038	40	30		EEEBRM
Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)cc1F	ZINC000096474025	533813530	/nfs/dbraw/zinc/81/35/30/533813530.db2.gz	YXAILHJWUNVTRV-UHFFFAOYSA-N	-1	0	343.355	2.285	40	30		EEEBRM
C=CCNc1ccc(S(=O)(=O)N[C@@H](C)CCC)cc1C(=O)[O-]	ZINC000217656717	241268423	/nfs/dbraw/zinc/26/84/23/241268423.db2.gz	TVCZEHYGXBLHCH-NSHDSACASA-N	-1	0	326.418	2.450	40	30		EEEBRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000078989226	463176132	/nfs/dbraw/zinc/17/61/32/463176132.db2.gz	QFSHPNATNYZBOS-UHFFFAOYSA-N	-1	0	346.408	2.290	40	30		EEEBRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000096466290	463277859	/nfs/dbraw/zinc/27/78/59/463277859.db2.gz	MXTZRKOLIMOQTC-UHFFFAOYSA-N	-1	0	325.365	2.178	40	30		EEEBRM
CN(C)c1cccc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)c1	ZINC000330031850	258002888	/nfs/dbraw/zinc/00/28/88/258002888.db2.gz	DYCQZBFIRZPYQS-UHFFFAOYSA-N	-1	0	347.440	2.434	40	30		EEEBRM
COc1ccccc1CN/N=C/c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000020762944	463030911	/nfs/dbraw/zinc/03/09/11/463030911.db2.gz	OLSLPHQLDKCDRV-VXLYETTFSA-N	-1	0	344.367	2.291	40	30		EEEBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1	ZINC000224688206	464150755	/nfs/dbraw/zinc/15/07/55/464150755.db2.gz	JPVWBRAULXWWCM-UHFFFAOYSA-N	-1	0	344.392	2.341	40	30		EEEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cccs2)cc1	ZINC000225132261	464153901	/nfs/dbraw/zinc/15/39/01/464153901.db2.gz	JPFOYRGCCCLGCB-UHFFFAOYSA-N	-1	0	336.394	2.094	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1	ZINC000408526800	466679603	/nfs/dbraw/zinc/67/96/03/466679603.db2.gz	GLZIJFVZHAIFHW-FNHQQPGVSA-N	-1	0	325.324	2.058	40	30		EEEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2)C1=O	ZINC000408528264	257898084	/nfs/dbraw/zinc/89/80/84/257898084.db2.gz	VDBPKAFPRZOIHD-ZDUSSCGKSA-N	-1	0	337.335	2.297	40	30		EEEBRM
C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000011616938	462835630	/nfs/dbraw/zinc/83/56/30/462835630.db2.gz	UQWLOWFDKAFKAP-KGYLQXTDSA-N	-1	0	325.455	2.399	40	30		EEEBRM
Cc1ccnc2ccc(C(=O)N3CCc4[n-]c(=O)c(C#N)cc4C3)cc12	ZINC000225682121	464179182	/nfs/dbraw/zinc/17/91/82/464179182.db2.gz	VAFZSNYBVYYNPL-UHFFFAOYSA-N	-1	0	344.374	2.302	40	30		EEEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)c1	ZINC000408526515	466679559	/nfs/dbraw/zinc/67/95/59/466679559.db2.gz	CSBZWDLKUNRTSV-OAHLLOKOSA-N	-1	0	337.335	2.297	40	30		EEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNNc1ccccc1	ZINC000408742348	466683573	/nfs/dbraw/zinc/68/35/73/466683573.db2.gz	WEDACMOBMZABJL-BGARDKSCSA-N	-1	0	338.392	2.148	40	30		EEEBRM
COCc1cc(C)nc(N=NCc2ccc([O-])c([N+](=O)[O-])c2)c1C#N	ZINC000035183083	522917832	/nfs/dbraw/zinc/91/78/32/522917832.db2.gz	ORTLGENQKQWPEG-LSCVHKIXSA-N	-1	0	341.327	2.468	40	30		EEEBRM
COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N\[O-]	ZINC000004837861	292005354	/nfs/dbraw/zinc/00/53/54/292005354.db2.gz	AFLYQPMYZODHAU-JQIJEIRASA-N	-1	0	343.251	2.497	40	30		EEEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000004992974	275384588	/nfs/dbraw/zinc/38/45/88/275384588.db2.gz	UGVYNNRGBVYINJ-FOWTUZBSSA-N	-1	0	338.363	2.103	40	30		EEEBRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cccc1Cl	ZINC000104108116	463409075	/nfs/dbraw/zinc/40/90/75/463409075.db2.gz	HVIZLOVRDVDSEP-OVCLIPMQSA-N	-1	0	330.200	2.223	40	30		EEEBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)s1	ZINC000104123283	219348522	/nfs/dbraw/zinc/34/85/22/219348522.db2.gz	GKXBMQJMGWJZHZ-MSUUIHNZSA-N	-1	0	347.385	2.147	40	30		EEEBRM
CCS[C@@H]1C(C(=O)c2ccc(F)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716273	257691259	/nfs/dbraw/zinc/69/12/59/257691259.db2.gz	NNFHFIPXOGNGMX-MRXNPFEDSA-N	-1	0	337.372	2.331	40	30		EEEBRM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/n2cnnc2)c1[O-])CCCC3	ZINC000038178760	304801522	/nfs/dbraw/zinc/80/15/22/304801522.db2.gz	PVTMUUSKMMLZMA-NGYBGAFCSA-N	-1	0	327.300	2.399	40	30		EEEBRM
C[C@H](CS)C(=O)N1C[C@H](Sc2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000000004930	462540364	/nfs/dbraw/zinc/54/03/64/462540364.db2.gz	UQWLOWFDKAFKAP-RAIGVLPGSA-N	-1	0	325.455	2.399	40	30		EEEBRM
CS[C@@H]1C(C(=O)c2ccccc2Cl)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716217	462623918	/nfs/dbraw/zinc/62/39/18/462623918.db2.gz	CFFVPOBHADGGSB-OAHLLOKOSA-N	-1	0	339.800	2.455	40	30		EEEBRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1	ZINC000078611973	463133163	/nfs/dbraw/zinc/13/31/63/463133163.db2.gz	UCMGLQNRBCPZGL-HOCLYGCPSA-N	-1	0	341.429	2.404	40	30		EEEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)cc1	ZINC000408526551	466679407	/nfs/dbraw/zinc/67/94/07/466679407.db2.gz	DLKNMLLARJBMJM-HNNXBMFYSA-N	-1	0	337.335	2.297	40	30		EEEBRM
Cc1ccc(N2C(=O)C(=CNc3ccco3)C(=O)[N-]C2=S)cc1	ZINC000408766933	466682653	/nfs/dbraw/zinc/68/26/53/466682653.db2.gz	XDXBLTFVAUVSEC-AXIYWZQUSA-N	-1	0	327.365	2.354	40	30		EEEBRM
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408929626	466684593	/nfs/dbraw/zinc/68/45/93/466684593.db2.gz	LVFZSVYBBFSACW-PMYJVMGRSA-N	-1	0	337.357	2.231	40	30		EEEBRM
Cn1cc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1	ZINC000078556483	236990852	/nfs/dbraw/zinc/99/08/52/236990852.db2.gz	HSZYOFGGROEBRD-CVEARBPZSA-N	-1	0	345.424	2.358	40	30		EEEBRM
Cc1ccccc1C(C#N)=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1	ZINC000005722688	462667428	/nfs/dbraw/zinc/66/74/28/462667428.db2.gz	FCDFNDOGLWRWSQ-JTQLQIEISA-N	-1	0	330.325	2.175	40	30		EEEBRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000079029227	463180434	/nfs/dbraw/zinc/18/04/34/463180434.db2.gz	BYLGNOGMVURYOE-GXTWGEPZSA-N	-1	0	344.477	2.358	40	30		EEEBRM
C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)C1CCOCC1	ZINC000078556655	217077766	/nfs/dbraw/zinc/07/77/66/217077766.db2.gz	STNJDZDFMJNKIS-GFCCVEGCSA-N	-1	0	338.429	2.456	40	30		EEEBRM
C=C1c2c(c(C(C)=O)c(O)c(C)c2O)O[C@@]12CC(=O)C(C(=O)[O-])=C2C	ZINC000006483536	277815336	/nfs/dbraw/zinc/81/53/36/277815336.db2.gz	JNLCDXSLOIQRQR-GOSISDBHSA-N	-1	0	344.319	2.127	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218436194	303173079	/nfs/dbraw/zinc/17/30/79/303173079.db2.gz	RHTDWAWNXDHRHS-VYDXJSESSA-N	-1	0	345.351	2.360	40	30		EEEBRM
CCCCCCCC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC000001572142	462584095	/nfs/dbraw/zinc/58/40/95/462584095.db2.gz	HFAXYWDXLCVREV-LLVKDONJSA-N	-1	0	343.449	2.233	40	30		EEEBRM
O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccsc1	ZINC000078556624	217077496	/nfs/dbraw/zinc/07/74/96/217077496.db2.gz	XZTNUFXNXLRYGV-UHFFFAOYSA-N	-1	0	328.440	2.417	40	30		EEEBRM
C[C@@H](CS)C(=O)N1C[C@H](Sc2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000011616939	211227017	/nfs/dbraw/zinc/22/70/17/211227017.db2.gz	UQWLOWFDKAFKAP-CYZMBNFOSA-N	-1	0	325.455	2.399	40	30		EEEBRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1	ZINC000078611979	463132970	/nfs/dbraw/zinc/13/29/70/463132970.db2.gz	UCMGLQNRBCPZGL-ZBFHGGJFSA-N	-1	0	341.429	2.404	40	30		EEEBRM
COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000033759350	463423737	/nfs/dbraw/zinc/42/37/37/463423737.db2.gz	HEXYXAHXNFABOZ-FBCYGCLPSA-N	-1	0	342.311	2.039	40	30		EEEBRM
C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OC)c1O	ZINC000409145676	466685140	/nfs/dbraw/zinc/68/51/40/466685140.db2.gz	RFBOTOWRZUKZGF-KPKJPENVSA-N	-1	0	349.364	2.250	40	30		EEEBRM
COc1ccc(CN/N=C/c2cccc(OCC(=O)[O-])c2)cc1OC	ZINC000020196377	524018103	/nfs/dbraw/zinc/01/81/03/524018103.db2.gz	FTTHZWFYTYGQIM-VXLYETTFSA-N	-1	0	344.367	2.291	40	30		EEEBRM
Cc1n[n-]c(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1=O	ZINC000015015597	211788626	/nfs/dbraw/zinc/78/86/26/211788626.db2.gz	DRYKADXABMCDGE-LZYBPNLTSA-N	-1	0	340.299	2.088	40	30		EEEBRM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C([O-])=C(C(C)=O)C(=O)C[C@H]1O2	ZINC000100069110	278241738	/nfs/dbraw/zinc/24/17/38/278241738.db2.gz	UCEDYRRYYRYVBN-MGNBDDOMSA-N	-1	0	346.335	2.001	40	30		EEEBRM
C=CCNC(=S)N/N=C(\C)c1c([O-])c2ccccc2n(CC)c1=O	ZINC000100357603	219097779	/nfs/dbraw/zinc/09/77/79/219097779.db2.gz	ZEKYRJZJQHDKHS-YBFXNURJSA-N	-1	0	344.440	2.101	40	30		EEEBRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc2c(c1)COCC2	ZINC000239761376	464443789	/nfs/dbraw/zinc/44/37/89/464443789.db2.gz	CJTKZYWQIDFHSM-UHFFFAOYSA-N	-1	0	329.381	2.135	40	30		EEEBRM
CC(C)c1nc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n(C)n1	ZINC000073314215	216376611	/nfs/dbraw/zinc/37/66/11/216376611.db2.gz	BQVFRUBWAOENPZ-UHFFFAOYSA-N	-1	0	339.808	2.264	40	30		EEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cccc(O)c1	ZINC000000045683	462540595	/nfs/dbraw/zinc/54/05/95/462540595.db2.gz	KEXQJMMEHGKVCQ-XKYMITNMSA-N	-1	0	339.376	2.159	40	30		EEEBRM
Cc1noc2ncc([N-]S(=O)(=O)c3cccc(F)c3C#N)cc12	ZINC000096435737	463263949	/nfs/dbraw/zinc/26/39/49/463263949.db2.gz	GSWKZWRAGVFICI-UHFFFAOYSA-N	-1	0	332.316	2.343	40	30		EEEBRM
CC/N=C1/S/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)N1CC	ZINC000408930524	466684099	/nfs/dbraw/zinc/68/40/99/466684099.db2.gz	YDKVHXMUEYWJFN-YDNXFKBOSA-N	-1	0	334.397	2.462	40	30		EEEBRM
C=CC[C@@H]1N(c2ccccc2OC)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000169620162	1405725875	/nfs/dbraw/zinc/72/58/75/1405725875.db2.gz	KPUKZZKOAUICJR-NTODXPRQSA-N	-1	0	341.363	2.011	40	30		EEEBRM
COc1cccc(OC)c1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000004293341	210162649	/nfs/dbraw/zinc/16/26/49/210162649.db2.gz	VFRAVVJZUYYUMR-SOFYXZRVSA-N	-1	0	332.307	2.485	40	30		EEEBRM
O=C([O-])/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000039131473	213232003	/nfs/dbraw/zinc/23/20/03/213232003.db2.gz	MJBHEINNBFZEII-LFYBBSHMSA-N	-1	0	327.361	2.480	40	30	in-vitro	EEEBRM
NC(=O)Cn1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c2ccccc21	ZINC000409385178	257871922	/nfs/dbraw/zinc/87/19/22/257871922.db2.gz	JUDSVSWWCGUIED-ZBKNUEDVSA-N	-1	0	337.335	2.281	40	30		EEEBRM
CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000275028479	269086013	/nfs/dbraw/zinc/08/60/13/269086013.db2.gz	PTNYKVRCOUYCFC-LLVKDONJSA-N	-1	0	342.392	2.255	40	30		EEEBRM
COc1ccc([C@@H]2c3c(C)[nH]nc3Oc3[n-]c(=O)c(C#N)c(N)c32)cc1	ZINC000005640701	295233035	/nfs/dbraw/zinc/23/30/35/295233035.db2.gz	DEOCXJCKQDXNEA-CYBMUJFWSA-N	-1	0	349.350	2.155	40	30		EEEBRM
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OCC(=O)[O-])cc1	ZINC000000348724	462555893	/nfs/dbraw/zinc/55/58/93/462555893.db2.gz	ZPEZCJADZKYTAN-VXLYETTFSA-N	-1	0	337.335	2.051	40	30		EEEBRM
CS[C@H]1C(C(=O)c2ccccc2Cl)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716218	462623897	/nfs/dbraw/zinc/62/38/97/462623897.db2.gz	CFFVPOBHADGGSB-HNNXBMFYSA-N	-1	0	339.800	2.455	40	30		EEEBRM
COc1cc(-c2c(C#N)c(OC)[n-]c(=O)c2C#N)cc(OC)c1OC	ZINC000017125979	462995979	/nfs/dbraw/zinc/99/59/79/462995979.db2.gz	LEJOXMOELOIPEB-UHFFFAOYSA-N	-1	0	341.323	2.232	40	30		EEEBRM
COc1cc(C=NNc2ccc([N+](=O)[O-])cn2)cc([N+](=O)[O-])c1[O-]	ZINC000408748933	466683035	/nfs/dbraw/zinc/68/30/35/466683035.db2.gz	CTWGIOBGEMCLLG-UUASQNMZSA-N	-1	0	333.260	2.058	40	30		EEEBRM
N#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408814302	466683097	/nfs/dbraw/zinc/68/30/97/466683097.db2.gz	FNRXZYJSDHSNGC-NTCAYCPXSA-N	-1	0	347.330	2.255	40	30		EEEBRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000078411398	217050123	/nfs/dbraw/zinc/05/01/23/217050123.db2.gz	GZOFJTWXEAKSAZ-ZCFIWIBFSA-N	-1	0	339.236	2.241	40	30		EEEBRM
Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3ccc(F)cc3)ccc21	ZINC000096494946	463289126	/nfs/dbraw/zinc/28/91/26/463289126.db2.gz	MKTAQEMUBOOYFH-UHFFFAOYSA-N	-1	0	333.344	2.406	40	30		EEEBRM
CN1C(=O)/C(=N\[O-])c2cc(Br)cc(Br)c21	ZINC000101004911	463375802	/nfs/dbraw/zinc/37/58/02/463375802.db2.gz	HDEWGAUUULHZJD-GHXNOFRVSA-N	-1	0	333.967	2.366	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C#N)cc2)C1=O	ZINC000408526787	466679549	/nfs/dbraw/zinc/67/95/49/466679549.db2.gz	GBZSODGVBLYQSW-HNNXBMFYSA-N	-1	0	346.346	2.468	40	30		EEEBRM
C[C@@H](Oc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1)C(=O)[O-]	ZINC000408843683	466682994	/nfs/dbraw/zinc/68/29/94/466682994.db2.gz	GZSUEBUCKFKAFO-VURRPDKYSA-N	-1	0	338.319	2.169	40	30		EEEBRM
Cc1ccnc(Sc2nc3c(C)cccn3c(=O)c2/C=N/[O-])n1	ZINC000000567563	462571751	/nfs/dbraw/zinc/57/17/51/462571751.db2.gz	PNUCFIDIMCGKSC-CAOOACKPSA-N	-1	0	327.369	2.061	40	30		EEEBRM
CCOC(=O)C1=C([O-])COC1=Nc1ccc(Br)cc1	ZINC000001617126	462585214	/nfs/dbraw/zinc/58/52/14/462585214.db2.gz	GUZAEXKIKUZYTO-UHFFFAOYSA-N	-1	0	326.146	2.235	40	30		EEEBRM
COc1cccc(OC)c1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000245240925	464468945	/nfs/dbraw/zinc/46/89/45/464468945.db2.gz	VFRAVVJZUYYUMR-UHFFFAOYSA-N	-1	0	332.307	2.485	40	30		EEEBRM
CC/N=C1\S/C(=C\c2cc([N+](=O)[O-])c([O-])cc2O)C(=O)N1CC	ZINC000408845669	466683256	/nfs/dbraw/zinc/68/32/56/466683256.db2.gz	HBSKUOHZDIMEQA-YREVGTFCSA-N	-1	0	337.357	2.318	40	30		EEEBRM
COCCOc1ccccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000079037085	217178471	/nfs/dbraw/zinc/17/84/71/217178471.db2.gz	QNVKVDCVYWBLRN-UHFFFAOYSA-N	-1	0	329.418	2.392	40	30		EEEBRM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1	ZINC000005558506	462662988	/nfs/dbraw/zinc/66/29/88/462662988.db2.gz	DRCJKZQIRZYOIK-OMCISZLKSA-N	-1	0	332.307	2.485	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cnn(C)c2)s1	ZINC000078556463	463126583	/nfs/dbraw/zinc/12/65/83/463126583.db2.gz	VSUATEVXXULJSD-QWRGUYRKSA-N	-1	0	325.415	2.239	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccc1	ZINC000408527030	466679971	/nfs/dbraw/zinc/67/99/71/466679971.db2.gz	JEBVXGUABFDSGQ-AYPRBGQRSA-N	-1	0	339.326	2.296	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)cc1	ZINC000408526893	466680167	/nfs/dbraw/zinc/68/01/67/466680167.db2.gz	HQYRSJAENYLGRV-OAHLLOKOSA-N	-1	0	346.346	2.468	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218440808	241322104	/nfs/dbraw/zinc/32/21/04/241322104.db2.gz	SSIJPRGSGPHKOC-HLLBOEOZSA-N	-1	0	345.351	2.360	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218033189	241291266	/nfs/dbraw/zinc/29/12/66/241291266.db2.gz	FXZHTSSYVPDVHL-HLLBOEOZSA-N	-1	0	327.361	2.221	40	30		EEEBRM
N#Cc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1	ZINC000195578578	323515557	/nfs/dbraw/zinc/51/55/57/323515557.db2.gz	WMECGKOBDSHODI-UHFFFAOYSA-N	-1	0	328.275	2.168	40	30		EEEBRM
CS[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716222	462623323	/nfs/dbraw/zinc/62/33/23/462623323.db2.gz	FBSTXUVQHPPNCQ-HNNXBMFYSA-N	-1	0	339.800	2.455	40	30		EEEBRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncn(-c2ccccc2)n1	ZINC000096501015	463291612	/nfs/dbraw/zinc/29/16/12/463291612.db2.gz	MHSRSWMSPLZHIL-UHFFFAOYSA-N	-1	0	339.380	2.248	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218436287	241322439	/nfs/dbraw/zinc/32/24/39/241322439.db2.gz	RHTDWAWNXDHRHS-HLLBOEOZSA-N	-1	0	345.351	2.360	40	30		EEEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc(OC)cc2)[C@@H]1SC	ZINC000062716310	257690968	/nfs/dbraw/zinc/69/09/68/257690968.db2.gz	BVIUMQXVLBURKD-KRWDZBQOSA-N	-1	0	349.408	2.200	40	30		EEEBRM
CC(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])cc1	ZINC000006562211	462691082	/nfs/dbraw/zinc/69/10/82/462691082.db2.gz	GAQIQUXIXFUGAG-VNCYPQDWSA-N	-1	0	336.329	2.221	40	30		EEEBRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1	ZINC000078556428	528572607	/nfs/dbraw/zinc/57/26/07/528572607.db2.gz	UUVKEDRKTZBQTP-LSDHHAIUSA-N	-1	0	349.412	2.268	40	30		EEEBRM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)CCc1cccc(Cl)c1)C2	ZINC000225681972	241985501	/nfs/dbraw/zinc/98/55/01/241985501.db2.gz	CCIZPHJOKSGZSG-UHFFFAOYSA-N	-1	0	341.798	2.417	40	30		EEEBRM
CS[C@H]1C(C(=O)c2ccncc2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716470	462623382	/nfs/dbraw/zinc/62/33/82/462623382.db2.gz	JMSLOQCVXDFLAG-KRWDZBQOSA-N	-1	0	348.424	2.223	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)s1	ZINC000078556460	463126643	/nfs/dbraw/zinc/12/66/43/463126643.db2.gz	VSUATEVXXULJSD-GHMZBOCLSA-N	-1	0	325.415	2.239	40	30		EEEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)cc1	ZINC000408526552	466679131	/nfs/dbraw/zinc/67/91/31/466679131.db2.gz	DLKNMLLARJBMJM-OAHLLOKOSA-N	-1	0	337.335	2.297	40	30		EEEBRM
NC(=O)COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000409213847	466687138	/nfs/dbraw/zinc/68/71/38/466687138.db2.gz	VJUJAHBJQLOMEQ-UWVJOHFNSA-N	-1	0	347.758	2.348	40	30		EEEBRM
COc1cc(CN=Nc2nnn[n-]2)ccc1OCc1ccc(F)cc1	ZINC000016214645	521995557	/nfs/dbraw/zinc/99/55/57/521995557.db2.gz	GILKSRADBGPUMF-GIJQJNRQSA-N	-1	0	342.334	2.372	40	30		EEEBRM
C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)[O-]	ZINC000504320726	1410204417	/nfs/dbraw/zinc/20/44/17/1410204417.db2.gz	XNZSRYSTBKQWGZ-BHNPYSKESA-N	-1	0	348.439	2.305	40	30		EEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217438106	241250901	/nfs/dbraw/zinc/25/09/01/241250901.db2.gz	UNZJOKZTRBGNPX-UHFFFAOYSA-N	-1	0	336.369	2.054	40	30		EEEBRM
N#Cc1ccc(N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000083328440	463544507	/nfs/dbraw/zinc/54/45/07/463544507.db2.gz	CSUSNCXDVUIPAQ-AWEZNQCLSA-N	-1	0	327.296	2.280	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1	ZINC000408526805	466680109	/nfs/dbraw/zinc/68/01/09/466680109.db2.gz	GLZIJFVZHAIFHW-YFEUJDIGSA-N	-1	0	325.324	2.058	40	30		EEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1O	ZINC000408739599	466683074	/nfs/dbraw/zinc/68/30/74/466683074.db2.gz	CVPVGMVGKGAEPV-NNLQFVHNSA-N	-1	0	339.376	2.159	40	30		EEEBRM
Fc1ccccc1Cn1cc(CN=Nc2nnn[n-]2)c2ccccc21	ZINC000408977208	466684807	/nfs/dbraw/zinc/68/48/07/466684807.db2.gz	VXKAWOZRLFBPAQ-DJKKODMXSA-N	-1	0	335.346	2.788	40	30		EEEBRM
C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl	ZINC000291906834	527660296	/nfs/dbraw/zinc/66/02/96/527660296.db2.gz	LPEHRGAXMJXWPR-UHFFFAOYSA-N	-1	0	342.804	2.437	40	30		EEEBRM
C=CCNc1ccc(S(=O)(=O)NCCCCC)cc1C(=O)[O-]	ZINC000217648481	241265347	/nfs/dbraw/zinc/26/53/47/241265347.db2.gz	FNVWUPGYSIAGCC-UHFFFAOYSA-N	-1	0	326.418	2.451	40	30		EEEBRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cccc3)c(F)c2)cn1	ZINC000078445770	217053879	/nfs/dbraw/zinc/05/38/79/217053879.db2.gz	MFDCYXDFTPVDEW-UHFFFAOYSA-N	-1	0	348.359	2.043	40	30		EEEBRM
C#CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])C1=O	ZINC000409040707	466684147	/nfs/dbraw/zinc/68/41/47/466684147.db2.gz	HTGHHMXJDFELQA-KPKJPENVSA-N	-1	0	348.336	2.369	40	30		EEEBRM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C#N)C1	ZINC000907098089	784370006	/nfs/dbraw/zinc/37/00/06/784370006.db2.gz	SKXHYTVQMUWZRG-LBPRGKRZSA-N	-1	0	336.413	2.432	40	30		EEEBRM
C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000003780852	210074908	/nfs/dbraw/zinc/07/49/08/210074908.db2.gz	UQWLOWFDKAFKAP-WXHSDQCUSA-N	-1	0	325.455	2.399	40	30	in-man	EEEBRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000073087477	216348284	/nfs/dbraw/zinc/34/82/84/216348284.db2.gz	MIQSULXYAVJHFC-UHFFFAOYSA-N	-1	0	333.413	2.301	40	30		EEEBRM
CC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000079036977	278319069	/nfs/dbraw/zinc/31/90/69/278319069.db2.gz	JPXFHDSJHBUOJW-HZMBPMFUSA-N	-1	0	348.490	2.163	40	30		EEEBRM
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])c1ccc([N+](=O)[O-])cc1	ZINC000005589288	462664273	/nfs/dbraw/zinc/66/42/73/462664273.db2.gz	AYVYIBTUNPRRMM-BQYQJAHWSA-N	-1	0	337.291	2.433	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)cc1Cl	ZINC000080298509	463306024	/nfs/dbraw/zinc/30/60/24/463306024.db2.gz	XVFFOGXUZYDPLF-UHFFFAOYSA-N	-1	0	327.793	2.270	40	30		EEEBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)n1	ZINC000104123271	219348291	/nfs/dbraw/zinc/34/82/91/219348291.db2.gz	VNPAEOJKPPELQG-VXPUYCOJSA-N	-1	0	341.356	2.085	40	30		EEEBRM
CO/N=C(\C(=O)[O-])c1csc(NC(=O)/C=C/c2ccccn2)c1	ZINC000000097162	462541705	/nfs/dbraw/zinc/54/17/05/462541705.db2.gz	OSJLDUOFYVSILR-PXLGQBCESA-N	-1	0	331.353	2.230	40	30		EEEBRM
C#CCOc1c(CCC)cc(/C=C2/NC(=O)[N-]C2=O)cc1OCC	ZINC000032115792	463364806	/nfs/dbraw/zinc/36/48/06/463364806.db2.gz	CDEOWBVUHOQUGW-GXDHUFHOSA-N	-1	0	328.368	2.230	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1	ZINC000005646471	462666619	/nfs/dbraw/zinc/66/66/19/462666619.db2.gz	GLZIJFVZHAIFHW-XKYMITNMSA-N	-1	0	325.324	2.058	40	30		EEEBRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1	ZINC000078611971	463133097	/nfs/dbraw/zinc/13/30/97/463133097.db2.gz	UCMGLQNRBCPZGL-GOEBONIOSA-N	-1	0	341.429	2.404	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O	ZINC000408526575	466679199	/nfs/dbraw/zinc/67/91/99/466679199.db2.gz	DWSWOEQRCROAIY-SLDJAQPHSA-N	-1	0	335.363	2.465	40	30		EEEBRM
O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccoc1	ZINC000096452591	237056181	/nfs/dbraw/zinc/05/61/81/237056181.db2.gz	QMGYZIQFFBKQKE-UHFFFAOYSA-N	-1	0	331.353	2.218	40	30		EEEBRM
C=CC[C@@H]1N(c2ccccc2OC)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000095495825	463093678	/nfs/dbraw/zinc/09/36/78/463093678.db2.gz	KPUKZZKOAUICJR-PPLBCVRQSA-N	-1	0	341.363	2.011	40	30		EEEBRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1	ZINC000078556426	528572651	/nfs/dbraw/zinc/57/26/51/528572651.db2.gz	UUVKEDRKTZBQTP-HUUCEWRRSA-N	-1	0	349.412	2.268	40	30		EEEBRM
CCCC[C@]1(C)C[C@@]2(C)C(=O)C(O)=C([O-])C3OC(C)=C(O)C(=C32)O1	ZINC000031163869	282977938	/nfs/dbraw/zinc/97/79/38/282977938.db2.gz	LWSJDCYEVJLGHQ-UBHOCCDRSA-N	-1	0	336.384	2.317	40	30	biogenic,in-vitro	EEEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc(F)cc2)[C@H]1SC	ZINC000062716315	462623845	/nfs/dbraw/zinc/62/38/45/462623845.db2.gz	SLUXFHXXDJCCHF-MRXNPFEDSA-N	-1	0	337.372	2.331	40	30		EEEBRM
O=C([O-])c1ccc(/C=N/NC(=S)NCCc2ccccc2)cc1	ZINC000006889766	462710689	/nfs/dbraw/zinc/71/06/89/462710689.db2.gz	HZBFGEAFXSTFID-XDHOZWIPSA-N	-1	0	327.409	2.426	40	30		EEEBRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(Br)s1	ZINC000096482953	463281528	/nfs/dbraw/zinc/28/15/28/463281528.db2.gz	YZOAEVCQGRNECR-UHFFFAOYSA-N	-1	0	341.252	2.402	40	30		EEEBRM
N#Cc1ccc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)c(Cl)c1	ZINC000263411317	464100220	/nfs/dbraw/zinc/10/02/20/464100220.db2.gz	MKORNNUKQNWJEZ-UHFFFAOYSA-N	-1	0	343.774	2.026	40	30		EEEBRM
COc1ccc(Cl)cc1C(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000225681258	464179272	/nfs/dbraw/zinc/17/92/72/464179272.db2.gz	KSYWSWQUDHFJIG-UHFFFAOYSA-N	-1	0	343.770	2.107	40	30		EEEBRM
COc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc(C)n1	ZINC000252509280	522171817	/nfs/dbraw/zinc/17/18/17/522171817.db2.gz	YJFAXWDYMYNFPW-MRXNPFEDSA-N	-1	0	337.379	2.346	40	30		EEEBRM
C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1	ZINC000004090498	277789953	/nfs/dbraw/zinc/78/99/53/277789953.db2.gz	GHIGRDADUISATB-TVEAVKIZSA-N	-1	0	329.396	2.156	40	30		EEEBRM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(Br)c(Cl)c1	ZINC000225470011	464162682	/nfs/dbraw/zinc/16/26/82/464162682.db2.gz	WLPOQDQJPZDQAG-MRVPVSSYSA-N	-1	0	329.581	2.479	40	30		EEEBRM
O=C(COc1cc(F)ccc1F)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000078602935	527186675	/nfs/dbraw/zinc/18/66/75/527186675.db2.gz	CHBLOFNUWHHQQP-LLVKDONJSA-N	-1	0	349.355	2.199	40	30		EEEBRM
CCOC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)F	ZINC000013408102	201893858	/nfs/dbraw/zinc/89/38/58/201893858.db2.gz	XMCQLSSJDPERIH-MFOYZWKCSA-N	-1	0	333.222	2.057	40	30		EEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC(C)C	ZINC000217438964	241251139	/nfs/dbraw/zinc/25/11/39/241251139.db2.gz	NVLPGAHFIWBMRB-UHFFFAOYSA-N	-1	0	326.418	2.307	40	30		EEEBRM
CC(=O)C(C(=O)Nc1ccccc1F)=C1SC(C(=O)[O-])S1	ZINC000062716058	462623767	/nfs/dbraw/zinc/62/37/67/462623767.db2.gz	OXCRJJSWFOBPHJ-UHFFFAOYSA-N	-1	0	327.358	2.456	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccc1	ZINC000408527039	466680137	/nfs/dbraw/zinc/68/01/37/466680137.db2.gz	JEBVXGUABFDSGQ-HSWQHBDASA-N	-1	0	339.326	2.296	40	30		EEEBRM
CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/N=C(/C)c1ccc(OC)cc1	ZINC000103707788	528954661	/nfs/dbraw/zinc/95/46/61/528954661.db2.gz	NDECGRWQUCGLKE-PQNKOENISA-N	-1	0	349.412	2.214	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000242648784	257683707	/nfs/dbraw/zinc/68/37/07/257683707.db2.gz	RHTDWAWNXDHRHS-INMHGKMJSA-N	-1	0	345.351	2.360	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1	ZINC000408528866	257898114	/nfs/dbraw/zinc/89/81/14/257898114.db2.gz	XDXJVEXRXGFGOP-DORSJAEJSA-N	-1	0	335.363	2.465	40	30		EEEBRM
C#CCn1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000409141239	257877298	/nfs/dbraw/zinc/87/72/98/257877298.db2.gz	HIWZPBSXJDLMHR-RIYZIHGNSA-N	-1	0	340.360	2.395	40	30		EEEBRM
CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C	ZINC000078556636	463126812	/nfs/dbraw/zinc/12/68/12/463126812.db2.gz	WNRSTLMCYFLYSB-UHFFFAOYSA-N	-1	0	330.454	2.180	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)cc1	ZINC000408528144	466679879	/nfs/dbraw/zinc/67/98/79/466679879.db2.gz	SJIDXUBBNXSIFA-INIZCTEOSA-N	-1	0	346.346	2.468	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccco2)C1=O	ZINC000408527976	466680526	/nfs/dbraw/zinc/68/05/26/466680526.db2.gz	PSVSZMDFERCTOS-CCOVPTLTSA-N	-1	0	325.324	2.058	40	30		EEEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCCN2CCOCC2)c1[O-]	ZINC000005286917	462654021	/nfs/dbraw/zinc/65/40/21/462654021.db2.gz	NNZTYNOXYFQGSF-MHWRWJLKSA-N	-1	0	327.768	2.095	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)c1	ZINC000005646541	462666247	/nfs/dbraw/zinc/66/62/47/462666247.db2.gz	XBDBUCYVUWNNEV-XKYMITNMSA-N	-1	0	325.324	2.058	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218440960	241322312	/nfs/dbraw/zinc/32/23/12/241322312.db2.gz	SSIJPRGSGPHKOC-YQQAZPJKSA-N	-1	0	345.351	2.360	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1	ZINC000408528862	466680046	/nfs/dbraw/zinc/68/00/46/466680046.db2.gz	XDXJVEXRXGFGOP-DDLUMYACSA-N	-1	0	335.363	2.465	40	30		EEEBRM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2cccs2)c1	ZINC000096501368	519527097	/nfs/dbraw/zinc/52/70/97/519527097.db2.gz	YCIPFHYCEWKZHR-UHFFFAOYSA-N	-1	0	327.431	2.489	40	30		EEEBRM
C=CCn1c([C@@H](CO)NC(=O)c2ccccc2Cl)n[nH]c1=S	ZINC000085400169	201369314	/nfs/dbraw/zinc/36/93/14/201369314.db2.gz	CYJKOTIOBADHCF-LLVKDONJSA-N	-1	0	338.820	2.243	40	30		EEEBRM
CC(C)(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000013547920	462895991	/nfs/dbraw/zinc/89/59/91/462895991.db2.gz	JFDDJSKMDIURAZ-CHROMADKSA-N	-1	0	333.413	2.380	40	30		EEEBRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000079029222	463180794	/nfs/dbraw/zinc/18/07/94/463180794.db2.gz	BYLGNOGMVURYOE-TZMCWYRMSA-N	-1	0	344.477	2.358	40	30		EEEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)o1	ZINC000107927198	463587059	/nfs/dbraw/zinc/58/70/59/463587059.db2.gz	JSSBCHSZQCSQCK-IFRROFPPSA-N	-1	0	335.323	2.455	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C#N)cc2)C1=O	ZINC000408526789	466679005	/nfs/dbraw/zinc/67/90/05/466679005.db2.gz	GBZSODGVBLYQSW-OAHLLOKOSA-N	-1	0	346.346	2.468	40	30		EEEBRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000078411395	202390789	/nfs/dbraw/zinc/39/07/89/202390789.db2.gz	GZOFJTWXEAKSAZ-LURJTMIESA-N	-1	0	339.236	2.241	40	30		EEEBRM
CCc1ccc(C(=O)C2C(=CC(=O)[O-])C(=O)N(C)[C@H]2SC)cc1	ZINC000062716208	462624034	/nfs/dbraw/zinc/62/40/34/462624034.db2.gz	FCQYWKQMLBJFED-KRWDZBQOSA-N	-1	0	333.409	2.364	40	30		EEEBRM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccc(Cl)cc1Cl	ZINC000036619638	213103704	/nfs/dbraw/zinc/10/37/04/213103704.db2.gz	MCSANQYMXNDFPX-GFCCVEGCSA-N	-1	0	344.150	2.362	40	30		EEEBRM
C=CCNS(=O)(=O)c1ccc(N[C@@H](C)CCC)c(C(=O)[O-])c1	ZINC000217570354	241261305	/nfs/dbraw/zinc/26/13/05/241261305.db2.gz	IOWMZQLPPNULKO-NSHDSACASA-N	-1	0	326.418	2.450	40	30		EEEBRM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1	ZINC000001091206	462576206	/nfs/dbraw/zinc/57/62/06/462576206.db2.gz	DRCJKZQIRZYOIK-SOFYXZRVSA-N	-1	0	332.307	2.485	40	30		EEEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc(OC)cc2)[C@H]1SC	ZINC000062716309	462623934	/nfs/dbraw/zinc/62/39/34/462623934.db2.gz	BVIUMQXVLBURKD-QGZVFWFLSA-N	-1	0	349.408	2.200	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O	ZINC000408526574	257898461	/nfs/dbraw/zinc/89/84/61/257898461.db2.gz	DWSWOEQRCROAIY-RVZJCZPVSA-N	-1	0	335.363	2.465	40	30		EEEBRM
CSC1C(C(=O)C(F)(F)F)=C(CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716460	462623474	/nfs/dbraw/zinc/62/34/74/462623474.db2.gz	MSPSQTCTVRCFMQ-LBPRGKRZSA-N	-1	0	339.335	2.076	40	30		EEEBRM
Cc1ccc(N2C(=O)C(=CNc3cccnc3)C(=O)[N-]C2=S)cc1	ZINC000408763564	466683586	/nfs/dbraw/zinc/68/35/86/466683586.db2.gz	IUYJVGPXEBXLDT-SAGYFLTASA-N	-1	0	338.392	2.156	40	30		EEEBRM
Cc1ccc2[nH]c3c(nc([O-])n(/N=C\c4ccc(O)cc4)c3=O)c2c1	ZINC000053224753	214171601	/nfs/dbraw/zinc/17/16/01/214171601.db2.gz	VEHRFXYDVKQKMY-OCKHKDLRSA-N	-1	0	334.335	2.480	40	30		EEEBRM
C=CCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217626174	241263463	/nfs/dbraw/zinc/26/34/63/241263463.db2.gz	BMLFJUYDCVNVPJ-UHFFFAOYSA-N	-1	0	336.369	2.054	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1	ZINC000252516470	464977721	/nfs/dbraw/zinc/97/77/21/464977721.db2.gz	SSIJPRGSGPHKOC-INMHGKMJSA-N	-1	0	345.351	2.360	40	30		EEEBRM
COc1ccc(CN/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000020195700	524017654	/nfs/dbraw/zinc/01/76/54/524017654.db2.gz	UUTFDLHMIHJYDI-RQZCQDPDSA-N	-1	0	331.328	2.441	40	30		EEEBRM
Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000903883195	1242307418	/nfs/dbraw/zinc/30/74/18/1242307418.db2.gz	FJUPPGPHBBOBAT-JTQLQIEISA-N	-1	0	342.804	2.271	40	30		EEEBRM
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(F)c(F)c(F)c1	ZINC000078411453	217049940	/nfs/dbraw/zinc/04/99/40/217049940.db2.gz	MYRKDMJAGQWKBX-SECBINFHSA-N	-1	0	337.319	2.307	40	30		EEEBRM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C([O-])=C(C(C)=O)C(=O)C[C@@H]1O2	ZINC000001563322	278241762	/nfs/dbraw/zinc/24/17/62/278241762.db2.gz	UCEDYRRYYRYVBN-XTZNXHDOSA-N	-1	0	346.335	2.001	40	30		EEEBRM
Cc1ccccc1C(C#N)=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1	ZINC000006491570	462686681	/nfs/dbraw/zinc/68/66/81/462686681.db2.gz	FCDFNDOGLWRWSQ-SNVBAGLBSA-N	-1	0	330.325	2.175	40	30		EEEBRM
COc1cc([N+](=O)[O-])cc(C=NNc2ccc([N+](=O)[O-])cn2)c1[O-]	ZINC000096868519	463300369	/nfs/dbraw/zinc/30/03/69/463300369.db2.gz	KTLUCLQDHVTWSS-UUASQNMZSA-N	-1	0	333.260	2.058	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1	ZINC000408526509	466679305	/nfs/dbraw/zinc/67/93/05/466679305.db2.gz	CMOMWYWFPLAKST-DORSJAEJSA-N	-1	0	335.363	2.465	40	30		EEEBRM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C#N)C1	ZINC000907098088	784369807	/nfs/dbraw/zinc/36/98/07/784369807.db2.gz	SKXHYTVQMUWZRG-GFCCVEGCSA-N	-1	0	336.413	2.432	40	30		EEEBRM
O=C([O-])c1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1	ZINC000001720838	209786512	/nfs/dbraw/zinc/78/65/12/209786512.db2.gz	BMKQAVSHJVGEBQ-VCHYOVAHSA-N	-1	0	343.364	2.179	40	30		EEEBRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(Br)o1	ZINC000096404476	218753554	/nfs/dbraw/zinc/75/35/54/218753554.db2.gz	ISRDNRAFOHNYAK-UHFFFAOYSA-N	-1	0	349.162	2.340	40	30		EEEBRM
C#CCOc1c(CC=C)cc(/C=C2\NC(=O)[N-]C2=O)cc1OCC	ZINC000002980420	462609089	/nfs/dbraw/zinc/60/90/89/462609089.db2.gz	MWTJEKUHMHPALD-UVTDQMKNSA-N	-1	0	326.352	2.006	40	30		EEEBRM
CCS[C@H]1C(C(=O)c2ccc(F)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716274	462623554	/nfs/dbraw/zinc/62/35/54/462623554.db2.gz	NNFHFIPXOGNGMX-INIZCTEOSA-N	-1	0	337.372	2.331	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)c1	ZINC000408528855	466679983	/nfs/dbraw/zinc/67/99/83/466679983.db2.gz	XBDBUCYVUWNNEV-KPYNCUPYSA-N	-1	0	325.324	2.058	40	30		EEEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccccc2OCC(C)C)C1=O	ZINC000408605982	526407105	/nfs/dbraw/zinc/40/71/05/526407105.db2.gz	ZUYBSPACIWGRCG-UVTDQMKNSA-N	-1	0	328.368	2.369	40	30		EEEBRM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2	ZINC000225681332	464179874	/nfs/dbraw/zinc/17/98/74/464179874.db2.gz	JLZAXLIRSIMOSG-UHFFFAOYSA-N	-1	0	347.296	2.464	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccc1	ZINC000408527040	466680186	/nfs/dbraw/zinc/68/01/86/466680186.db2.gz	JEBVXGUABFDSGQ-RBFBNPFJSA-N	-1	0	339.326	2.296	40	30		EEEBRM
CC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@H](C)C(=O)N2	ZINC000079029178	529329826	/nfs/dbraw/zinc/32/98/26/529329826.db2.gz	XWNHITPJTLFRRQ-NXEZZACHSA-N	-1	0	340.401	2.087	40	30		EEEBRM
N#CCCCS(=O)(=O)[N-]C(=O)C1(Cc2ccccc2Cl)CC1	ZINC000195574058	464080301	/nfs/dbraw/zinc/08/03/01/464080301.db2.gz	GJIWVARAIHSXOK-UHFFFAOYSA-N	-1	0	340.832	2.412	40	30		EEEBRM
Cc1cc(CCC(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)ccc1F	ZINC000225682157	464180011	/nfs/dbraw/zinc/18/00/11/464180011.db2.gz	NUSUDEXUCRRWAG-UHFFFAOYSA-N	-1	0	339.370	2.212	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)c(F)c1	ZINC000075040177	462666933	/nfs/dbraw/zinc/66/69/33/462666933.db2.gz	ZKVUZBYQXYIFAU-UHFFFAOYSA-N	-1	0	325.365	2.456	40	30		EEEBRM
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)c3c(c2)OCCO3)C(=O)O1	ZINC000047748890	462820242	/nfs/dbraw/zinc/82/02/42/462820242.db2.gz	UCAXITYQETVWCM-FAAWYNLUSA-N	-1	0	348.738	2.339	40	30		EEEBRM
O=C(COc1cc(F)ccc1F)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000078602932	463132085	/nfs/dbraw/zinc/13/20/85/463132085.db2.gz	CHBLOFNUWHHQQP-NSHDSACASA-N	-1	0	349.355	2.199	40	30		EEEBRM
CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000275028480	464762316	/nfs/dbraw/zinc/76/23/16/464762316.db2.gz	PTNYKVRCOUYCFC-NSHDSACASA-N	-1	0	342.392	2.255	40	30		EEEBRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(F)c(F)c(F)c1	ZINC000078410954	217050022	/nfs/dbraw/zinc/05/00/22/217050022.db2.gz	KGAZTBJNMJZHBZ-UHFFFAOYSA-N	-1	0	347.318	2.148	40	30		EEEBRM
CN(C)c1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1	ZINC000330031629	258002920	/nfs/dbraw/zinc/00/29/20/258002920.db2.gz	BJGPTGPFBYLLAS-UHFFFAOYSA-N	-1	0	343.408	2.459	40	30		EEEBRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(Cl)c1	ZINC000225423887	464158456	/nfs/dbraw/zinc/15/84/56/464158456.db2.gz	ZOQAKBHIKUVCPR-UHFFFAOYSA-N	-1	0	326.805	2.402	40	30		EEEBRM
COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000078986271	217165374	/nfs/dbraw/zinc/16/53/74/217165374.db2.gz	SJONPJHBIPMACG-SECBINFHSA-N	-1	0	348.402	2.008	40	30		EEEBRM
N#CCN1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000096496455	463288580	/nfs/dbraw/zinc/28/85/80/463288580.db2.gz	FPXVWLDDQCVICA-STQMWFEESA-N	-1	0	329.297	2.186	40	30		EEEBRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160689053	463362148	/nfs/dbraw/zinc/36/21/48/463362148.db2.gz	VLJMHAPWYUANDB-VIFPVBQESA-N	-1	0	330.793	2.085	40	30		EEEBRM
COc1ccc(CN/N=C/c2ccc(OCC(=O)[O-])cc2)cc1OC	ZINC000020195732	524018091	/nfs/dbraw/zinc/01/80/91/524018091.db2.gz	IRGUMPUIAWTKCZ-VXLYETTFSA-N	-1	0	344.367	2.291	40	30		EEEBRM
C=CCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	ZINC000217604172	241263472	/nfs/dbraw/zinc/26/34/72/241263472.db2.gz	UTQAWEWPKJLGAG-UHFFFAOYSA-N	-1	0	346.408	2.461	40	30		EEEBRM
Cc1cc(S(=O)(=O)N2CCc3ccc(C#N)cc32)ccc1C(=O)[O-]	ZINC000350893322	465032212	/nfs/dbraw/zinc/03/22/12/465032212.db2.gz	GEYDGRSFLMMEFE-UHFFFAOYSA-N	-1	0	342.376	2.316	40	30		EEEBRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)cc1	ZINC000078556427	528572281	/nfs/dbraw/zinc/57/22/81/528572281.db2.gz	UUVKEDRKTZBQTP-CABCVRRESA-N	-1	0	349.412	2.268	40	30		EEEBRM
C=CCNS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)[O-])c1	ZINC000217570244	241260787	/nfs/dbraw/zinc/26/07/87/241260787.db2.gz	UZDGSJFTCGGMET-UHFFFAOYSA-N	-1	0	326.418	2.307	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218033274	303173099	/nfs/dbraw/zinc/17/30/99/303173099.db2.gz	FXZHTSSYVPDVHL-ZOBUZTSGSA-N	-1	0	327.361	2.221	40	30		EEEBRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccccc2OC2CCCC2)cn1	ZINC000078984561	463175113	/nfs/dbraw/zinc/17/51/13/463175113.db2.gz	KEPCUSOYOSNTDE-UHFFFAOYSA-N	-1	0	349.412	2.435	40	30		EEEBRM
N#CCCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000184999085	463733836	/nfs/dbraw/zinc/73/38/36/463733836.db2.gz	CVKHTSSMUNJMLL-UHFFFAOYSA-N	-1	0	342.804	2.353	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242495179	464457948	/nfs/dbraw/zinc/45/79/48/464457948.db2.gz	FXZHTSSYVPDVHL-UXLLHSPISA-N	-1	0	327.361	2.221	40	30		EEEBRM
C=CCN(CC(=O)[O-])C(=O)c1ccccc1I	ZINC000092463655	218143770	/nfs/dbraw/zinc/14/37/70/218143770.db2.gz	VEKVQHMBLWTJFJ-UHFFFAOYSA-N	-1	0	345.136	2.004	40	30		EEEBRM
N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)sc2c1CCCC2	ZINC000225608633	303177524	/nfs/dbraw/zinc/17/75/24/303177524.db2.gz	WZLCLOLLPJCYHV-UNJBNNCHSA-N	-1	0	346.408	2.315	40	30		EEEBRM
CS[C@H]1C(C(=O)c2ccco2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716438	462623949	/nfs/dbraw/zinc/62/39/49/462623949.db2.gz	ULRGIGGHOYJRPN-INIZCTEOSA-N	-1	0	337.397	2.421	40	30		EEEBRM
CCCC[C@]1(C)C[C@@]2(C)C(=O)C(O)=C([O-])C3OC(C)=C(O)C(=C32)O1	ZINC000107428370	463570327	/nfs/dbraw/zinc/57/03/27/463570327.db2.gz	LWSJDCYEVJLGHQ-QWPSHLGUSA-N	-1	0	336.384	2.317	40	30	biogenic,in-vitro	EEEBRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1	ZINC000096459588	463276798	/nfs/dbraw/zinc/27/67/98/463276798.db2.gz	HVQZNVQHLZLRQH-UHFFFAOYSA-N	-1	0	330.291	2.111	40	30		EEEBRM
CCCC[C@]1(C)C[C@@]2(C)C(=O)C(O)=C([O-])C3OC(C)=C(O)C(=C32)O1	ZINC000230017055	464201664	/nfs/dbraw/zinc/20/16/64/464201664.db2.gz	LWSJDCYEVJLGHQ-ARAFLGGMSA-N	-1	0	336.384	2.317	40	30	biogenic,in-vitro	EEEBRM
N#C[C@]1(C(=O)[O-])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218033119	303172972	/nfs/dbraw/zinc/17/29/72/303172972.db2.gz	FXZHTSSYVPDVHL-VYDXJSESSA-N	-1	0	327.361	2.221	40	30		EEEBRM
COc1cccc(NC(=O)C(C(C)=O)=C2SC(C(=O)[O-])S2)c1	ZINC000062716065	462623450	/nfs/dbraw/zinc/62/34/50/462623450.db2.gz	WQQCHRDWZLTZDG-UHFFFAOYSA-N	-1	0	339.394	2.325	40	30		EEEBRM
CC(=O)C(=Cc1c([O-])c2cccnc2[nH]c1=O)C(=O)c1ccccc1	ZINC000033744042	463424204	/nfs/dbraw/zinc/42/42/04/463424204.db2.gz	HRPYMBMCLCHICW-GXDHUFHOSA-N	-1	0	334.331	2.484	40	30		EEEBRM
C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1	ZINC000224036343	464148020	/nfs/dbraw/zinc/14/80/20/464148020.db2.gz	SGQVTMGOXXORMC-UHFFFAOYSA-N	-1	0	346.408	2.412	40	30		EEEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2)C1=O	ZINC000408528262	466680012	/nfs/dbraw/zinc/68/00/12/466680012.db2.gz	VDBPKAFPRZOIHD-CYBMUJFWSA-N	-1	0	337.335	2.297	40	30		EEEBRM
C[C@H](Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1)C(=O)[O-]	ZINC000059250197	236934013	/nfs/dbraw/zinc/93/40/13/236934013.db2.gz	IZWBNJIHJMSNQX-JVDJPWEPSA-N	-1	0	330.300	2.288	40	30		EEEBRM
CC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000079036987	278319020	/nfs/dbraw/zinc/31/90/20/278319020.db2.gz	JPXFHDSJHBUOJW-YGRLFVJLSA-N	-1	0	348.490	2.163	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218440725	303173086	/nfs/dbraw/zinc/17/30/86/303173086.db2.gz	SSIJPRGSGPHKOC-VYDXJSESSA-N	-1	0	345.351	2.360	40	30		EEEBRM
CC(=O)C(C(=O)Nc1cccc(F)c1)=C1SC(C(=O)[O-])S1	ZINC000062716064	462623807	/nfs/dbraw/zinc/62/38/07/462623807.db2.gz	HIOUMXOZWZZBED-UHFFFAOYSA-N	-1	0	327.358	2.456	40	30		EEEBRM
CC(=NN=C1NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])cc1	ZINC000006562215	462691032	/nfs/dbraw/zinc/69/10/32/462691032.db2.gz	GAQIQUXIXFUGAG-CBQSTYFFSA-N	-1	0	336.329	2.221	40	30		EEEBRM
Cc1ccc(N2C(=O)C(=CNc3cccnc3)C(=O)[N-]C2=S)cc1	ZINC000408763569	466682844	/nfs/dbraw/zinc/68/28/44/466682844.db2.gz	IUYJVGPXEBXLDT-VAODSVERSA-N	-1	0	338.392	2.156	40	30		EEEBRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccn(Cc2ccccc2)c1	ZINC000096500837	463291433	/nfs/dbraw/zinc/29/14/33/463291433.db2.gz	JZMWFWUTTQCWHF-UHFFFAOYSA-N	-1	0	335.429	2.428	40	30		EEEBRM
N#CC1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCOCC1	ZINC000262105762	463947649	/nfs/dbraw/zinc/94/76/49/463947649.db2.gz	NMSNDWXSWCSLPO-UHFFFAOYSA-N	-1	0	338.747	2.062	40	30		EEEBRM
CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@H](C)C(=O)N2	ZINC000079029180	529672001	/nfs/dbraw/zinc/67/20/01/529672001.db2.gz	XWNHITPJTLFRRQ-VHSXEESVSA-N	-1	0	340.401	2.087	40	30		EEEBRM
O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccco1	ZINC000096452600	237056648	/nfs/dbraw/zinc/05/66/48/237056648.db2.gz	IAUPJLRYTNZFRM-UHFFFAOYSA-N	-1	0	331.353	2.218	40	30		EEEBRM
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000079098854	217193325	/nfs/dbraw/zinc/19/33/25/217193325.db2.gz	JGDVFXZHSWJSTK-SSDOTTSWSA-N	-1	0	333.710	2.352	40	30		EEEBRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)nn1C	ZINC000080298768	217296652	/nfs/dbraw/zinc/29/66/52/217296652.db2.gz	RZDCWQVIXHGGIA-UHFFFAOYSA-N	-1	0	327.793	2.384	40	30		EEEBRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12	ZINC000095350221	218284355	/nfs/dbraw/zinc/28/43/55/218284355.db2.gz	HRUUEACUKPJDMB-SECBINFHSA-N	-1	0	326.349	2.444	40	30		EEEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCC(C)C)cc2)C1=O	ZINC000408603410	466682002	/nfs/dbraw/zinc/68/20/02/466682002.db2.gz	QPZIYIQLJZFUMB-GDNBJRDFSA-N	-1	0	328.368	2.369	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccnc1	ZINC000408526947	466680336	/nfs/dbraw/zinc/68/03/36/466680336.db2.gz	IEZFXAGYXZBKRT-ZDUSSCGKSA-N	-1	0	342.742	2.337	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)c1	ZINC000408528222	466680376	/nfs/dbraw/zinc/68/03/76/466680376.db2.gz	UMMSNUVLXPJSNN-INIZCTEOSA-N	-1	0	346.346	2.468	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1	ZINC000408528865	466680484	/nfs/dbraw/zinc/68/04/84/466680484.db2.gz	XDXJVEXRXGFGOP-DEFALTHMSA-N	-1	0	335.363	2.465	40	30		EEEBRM
CS[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716221	462623762	/nfs/dbraw/zinc/62/37/62/462623762.db2.gz	FBSTXUVQHPPNCQ-OAHLLOKOSA-N	-1	0	339.800	2.455	40	30		EEEBRM
Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000066737220	462925455	/nfs/dbraw/zinc/92/54/55/462925455.db2.gz	WEAYYSPDTICWMJ-UHFFFAOYSA-N	-1	0	337.332	2.190	40	30		EEEBRM
Cn1cc(S(=O)(=O)[N-]C(=O)CCc2cc(Cl)cs2)cn1	ZINC000096413644	463246371	/nfs/dbraw/zinc/24/63/71/463246371.db2.gz	PBEBFPIMNAVYDC-UHFFFAOYSA-N	-1	0	333.822	2.413	40	30		EEEBRM
Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)oc2c1C(=O)CCC2	ZINC000193532618	463717520	/nfs/dbraw/zinc/71/75/20/463717520.db2.gz	GRHJYKSQOLOXPB-NSHDSACASA-N	-1	0	337.335	2.463	40	30		EEEBRM
CS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	ZINC000096416145	537702709	/nfs/dbraw/zinc/70/27/09/537702709.db2.gz	FMNZYPMREUSMLT-UHFFFAOYSA-N	-1	0	333.291	2.155	40	30		EEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)CCC	ZINC000217439124	241250548	/nfs/dbraw/zinc/25/05/48/241250548.db2.gz	LDUSBANJARHLMZ-LLVKDONJSA-N	-1	0	326.418	2.450	40	30		EEEBRM
C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)CC1	ZINC000043735421	277789959	/nfs/dbraw/zinc/78/99/59/277789959.db2.gz	GHIGRDADUISATB-LCEIHVTHSA-N	-1	0	329.396	2.156	40	30		EEEBRM
CS[C@@H]1C(C(=O)c2ccco2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716437	462623865	/nfs/dbraw/zinc/62/38/65/462623865.db2.gz	ULRGIGGHOYJRPN-MRXNPFEDSA-N	-1	0	337.397	2.421	40	30		EEEBRM
COc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000078410958	463115189	/nfs/dbraw/zinc/11/51/89/463115189.db2.gz	SAOKGLANYYUPCO-NSHDSACASA-N	-1	0	337.401	2.268	40	30		EEEBRM
CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2F)cn1	ZINC000096500841	463291766	/nfs/dbraw/zinc/29/17/66/463291766.db2.gz	SFKUSKNWAHSZAZ-UHFFFAOYSA-N	-1	0	343.355	2.406	40	30		EEEBRM
C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1	ZINC000160039581	463315694	/nfs/dbraw/zinc/31/56/94/463315694.db2.gz	OBLJUWOAJHGVEX-NSHDSACASA-N	-1	0	332.356	2.306	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccc1	ZINC000408527037	466680497	/nfs/dbraw/zinc/68/04/97/466680497.db2.gz	JEBVXGUABFDSGQ-GHOUAXAESA-N	-1	0	339.326	2.296	40	30		EEEBRM
Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000227167543	242126474	/nfs/dbraw/zinc/12/64/74/242126474.db2.gz	BBLPHTOIBGGOTJ-UHFFFAOYSA-N	-1	0	329.337	2.102	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218436352	303173037	/nfs/dbraw/zinc/17/30/37/303173037.db2.gz	RHTDWAWNXDHRHS-ZOBUZTSGSA-N	-1	0	345.351	2.360	40	30		EEEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000224914326	464152344	/nfs/dbraw/zinc/15/23/44/464152344.db2.gz	APBBAPOAYUIMLR-UHFFFAOYSA-N	-1	0	348.355	2.172	40	30		EEEBRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160688938	529346438	/nfs/dbraw/zinc/34/64/38/529346438.db2.gz	VLJMHAPWYUANDB-SECBINFHSA-N	-1	0	330.793	2.085	40	30		EEEBRM
C=CC[C@@H]1N(c2ccccc2OC)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000004237645	210148907	/nfs/dbraw/zinc/14/89/07/210148907.db2.gz	KPUKZZKOAUICJR-LAIHZFQQSA-N	-1	0	341.363	2.011	40	30		EEEBRM
CC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000079029181	463181116	/nfs/dbraw/zinc/18/11/16/463181116.db2.gz	XWNHITPJTLFRRQ-ZJUUUORDSA-N	-1	0	340.401	2.087	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)c1	ZINC000408528852	466680208	/nfs/dbraw/zinc/68/02/08/466680208.db2.gz	XBDBUCYVUWNNEV-FNHQQPGVSA-N	-1	0	325.324	2.058	40	30		EEEBRM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1	ZINC000048677917	523348098	/nfs/dbraw/zinc/34/80/98/523348098.db2.gz	XDHHORUWDMEWBD-CQSZACIVSA-N	-1	0	326.418	2.279	40	30		EEEBRM
C=CCNS(=O)(=O)c1ccc(NCCCCC)c(C(=O)[O-])c1	ZINC000217570121	241261268	/nfs/dbraw/zinc/26/12/68/241261268.db2.gz	WGVZRKPQRNLELS-UHFFFAOYSA-N	-1	0	326.418	2.451	40	30		EEEBRM
C=CCNc1ccc(S(=O)(=O)N[C@H](C)CCC)cc1C(=O)[O-]	ZINC000217656788	241267180	/nfs/dbraw/zinc/26/71/80/241267180.db2.gz	TVCZEHYGXBLHCH-LLVKDONJSA-N	-1	0	326.418	2.450	40	30		EEEBRM
Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2c1=O	ZINC000330032349	258002464	/nfs/dbraw/zinc/00/24/64/258002464.db2.gz	MEWRQUPTEAIWDH-UHFFFAOYSA-N	-1	0	339.376	2.211	40	30		EEEBRM
CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000078556560	463126675	/nfs/dbraw/zinc/12/66/75/463126675.db2.gz	PKEVGOFBJMHCCP-UHFFFAOYSA-N	-1	0	336.772	2.041	40	30		EEEBRM
N#CCCN(c1ccccc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000071874477	463450104	/nfs/dbraw/zinc/45/01/04/463450104.db2.gz	AEGVWISMLSZOAP-UHFFFAOYSA-N	-1	0	347.352	2.409	40	30		EEEBRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F	ZINC000195573221	464078429	/nfs/dbraw/zinc/07/84/29/464078429.db2.gz	RJLCLCUOTQZLJS-UHFFFAOYSA-N	-1	0	344.318	2.252	40	30		EEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1O	ZINC000408739601	466683213	/nfs/dbraw/zinc/68/32/13/466683213.db2.gz	CVPVGMVGKGAEPV-SGEFVQMOSA-N	-1	0	339.376	2.159	40	30		EEEBRM
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc(F)c(F)c(F)c1	ZINC000078411449	202391995	/nfs/dbraw/zinc/39/19/95/202391995.db2.gz	MYRKDMJAGQWKBX-VIFPVBQESA-N	-1	0	337.319	2.307	40	30		EEEBRM
CS[C@H]1C(C(=O)c2ccccn2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716466	462623506	/nfs/dbraw/zinc/62/35/06/462623506.db2.gz	SLPNJVAYWKXVEG-KRWDZBQOSA-N	-1	0	348.424	2.223	40	30		EEEBRM
CCS[C@H]1C(C(=O)c2ccc(OC)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716268	462623771	/nfs/dbraw/zinc/62/37/71/462623771.db2.gz	GRWWISWDHABUCC-KRWDZBQOSA-N	-1	0	349.408	2.200	40	30		EEEBRM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(Br)c(Cl)c1	ZINC000225470049	464162433	/nfs/dbraw/zinc/16/24/33/464162433.db2.gz	WLPOQDQJPZDQAG-QMMMGPOBSA-N	-1	0	329.581	2.479	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)c1	ZINC000408528857	466679861	/nfs/dbraw/zinc/67/98/61/466679861.db2.gz	XBDBUCYVUWNNEV-YFEUJDIGSA-N	-1	0	325.324	2.058	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)c1	ZINC000408528929	466680549	/nfs/dbraw/zinc/68/05/49/466680549.db2.gz	XQEIKJSAKUQRCV-OAHLLOKOSA-N	-1	0	346.346	2.468	40	30		EEEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C	ZINC000007054238	462719449	/nfs/dbraw/zinc/71/94/49/462719449.db2.gz	NPDXVHROGJEDSM-UHFFFAOYSA-N	-1	0	335.385	2.008	40	30		EEEBRM
NC(=S)N/N=C/c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12	ZINC000009265591	462800283	/nfs/dbraw/zinc/80/02/83/462800283.db2.gz	GNSWARLNZRAWKD-CNHKJKLMSA-N	-1	0	342.380	2.148	40	30		EEEBRM
COc1ccccc1CN/N=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000020761436	463030761	/nfs/dbraw/zinc/03/07/61/463030761.db2.gz	QYTKEBBHOWMNIJ-RQZCQDPDSA-N	-1	0	331.328	2.441	40	30		EEEBRM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c([N+](=O)[O-])c1	ZINC000390834339	467413977	/nfs/dbraw/zinc/41/39/77/467413977.db2.gz	WOTCAMWOQXLVLA-UHFFFAOYSA-N	-1	0	348.340	2.061	40	30		EEEBRM
C=C1c2c(c(C(C)=O)c(O)c(C)c2O)O[C@]12CC(=O)C(C(=O)[O-])=C2C	ZINC000005395562	462658944	/nfs/dbraw/zinc/65/89/44/462658944.db2.gz	JNLCDXSLOIQRQR-SFHVURJKSA-N	-1	0	344.319	2.127	40	30		EEEBRM
CCCc1nnc(SCC(=O)[O-])n1/N=C/c1ccc(OC)cc1	ZINC000005952324	462672514	/nfs/dbraw/zinc/67/25/14/462672514.db2.gz	LDFVDOGRWKRMSB-CXUHLZMHSA-N	-1	0	334.401	2.298	40	30		EEEBRM
COc1ccc(/C=N/OCC(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000005320680	462654651	/nfs/dbraw/zinc/65/46/51/462654651.db2.gz	IGDBIZCTMFFFGP-VCHYOVAHSA-N	-1	0	328.324	2.383	40	30		EEEBRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000079029234	463180577	/nfs/dbraw/zinc/18/05/77/463180577.db2.gz	BYLGNOGMVURYOE-JSGCOSHPSA-N	-1	0	344.477	2.358	40	30		EEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(C)C	ZINC000217518403	241255733	/nfs/dbraw/zinc/25/57/33/241255733.db2.gz	XOQJSGYLKVOHOT-UHFFFAOYSA-N	-1	0	326.418	2.307	40	30		EEEBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)n1	ZINC000017967194	463003663	/nfs/dbraw/zinc/00/36/63/463003663.db2.gz	VNPAEOJKPPELQG-FMQUCBEESA-N	-1	0	341.356	2.085	40	30		EEEBRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCOc2ccccc21	ZINC000077558818	463005547	/nfs/dbraw/zinc/00/55/47/463005547.db2.gz	HHYPBEXDWGFXKH-CYBMUJFWSA-N	-1	0	349.412	2.248	40	30		EEEBRM
N#CCn1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000409143605	466685962	/nfs/dbraw/zinc/68/59/62/466685962.db2.gz	MTNVIMQIUZDZOL-NTUHNPAUSA-N	-1	0	341.348	2.286	40	30		EEEBRM
C=CCn1c([O-])c(C(=O)Nc2ncccc2O)c(=O)c2ccccc21	ZINC000005817024	1351734555	/nfs/dbraw/zinc/73/45/55/1351734555.db2.gz	FWWXFRJDMGHDEZ-UHFFFAOYSA-N	-1	0	337.335	2.246	40	30		EEEBRM
N#CCN1C(C(=O)c2ccccc2)=C([O-])c2ccccc2S1(=O)=O	ZINC000049964128	214039434	/nfs/dbraw/zinc/03/94/34/214039434.db2.gz	FIWIPPBZODBBGS-UHFFFAOYSA-N	-1	0	340.360	2.324	40	30		EEEBRM
Cn1cc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1	ZINC000078556485	463126627	/nfs/dbraw/zinc/12/66/27/463126627.db2.gz	HSZYOFGGROEBRD-HZPDHXFCSA-N	-1	0	345.424	2.358	40	30		EEEBRM
N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000096493294	463287838	/nfs/dbraw/zinc/28/78/38/463287838.db2.gz	ATZYWXJZCKDSMA-UHFFFAOYSA-N	-1	0	326.337	2.409	40	30		EEEBRM
N#CC1(C(=O)NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)CCCC1	ZINC000262339905	464006256	/nfs/dbraw/zinc/00/62/56/464006256.db2.gz	GBDBBDLGHPPCCF-UHFFFAOYSA-N	-1	0	338.367	2.271	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2C#N)C1=O	ZINC000408526464	466678946	/nfs/dbraw/zinc/67/89/46/466678946.db2.gz	BFIZIJUACJNPGB-AWEZNQCLSA-N	-1	0	346.346	2.468	40	30		EEEBRM
C#CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408936505	466684230	/nfs/dbraw/zinc/68/42/30/466684230.db2.gz	KQBLUZWNIAHWMU-LGMDPLHJSA-N	-1	0	346.342	2.365	40	30		EEEBRM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1	ZINC000048677916	523347876	/nfs/dbraw/zinc/34/78/76/523347876.db2.gz	XDHHORUWDMEWBD-AWEZNQCLSA-N	-1	0	326.418	2.279	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218436432	241322234	/nfs/dbraw/zinc/32/22/34/241322234.db2.gz	RHTDWAWNXDHRHS-YQQAZPJKSA-N	-1	0	345.351	2.360	40	30		EEEBRM
O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1ccoc1	ZINC000096442739	218824477	/nfs/dbraw/zinc/82/44/77/218824477.db2.gz	IANJLPXJONKJMS-UHFFFAOYSA-N	-1	0	335.316	2.298	40	30		EEEBRM
CC(C)(C)c1ccc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000013547918	462895714	/nfs/dbraw/zinc/89/57/14/462895714.db2.gz	JFDDJSKMDIURAZ-AXIYWZQUSA-N	-1	0	333.413	2.380	40	30		EEEBRM
CSc1ccc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)cn1	ZINC000078556625	463126503	/nfs/dbraw/zinc/12/65/03/463126503.db2.gz	ZCOLXRMYUWPBIY-UHFFFAOYSA-N	-1	0	349.437	2.416	40	30		EEEBRM
CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N/N=C(/C)c1ccc(OC)cc1	ZINC000103707792	528954081	/nfs/dbraw/zinc/95/40/81/528954081.db2.gz	NDECGRWQUCGLKE-BPXZVOKTSA-N	-1	0	349.412	2.214	40	30		EEEBRM
C=CC[C@H]1N(c2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000004237650	210148622	/nfs/dbraw/zinc/14/86/22/210148622.db2.gz	WSHQZPHRZYRCMK-RUEZSYAVSA-N	-1	0	341.363	2.011	40	30		EEEBRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	ZINC000078719151	202398855	/nfs/dbraw/zinc/39/88/55/202398855.db2.gz	TUEBESPSWSUINS-CQSZACIVSA-N	-1	0	338.429	2.234	40	30		EEEBRM
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000095449033	218392634	/nfs/dbraw/zinc/39/26/34/218392634.db2.gz	BCZUTHVDHKLPGC-UHFFFAOYSA-N	-1	0	345.366	2.137	40	30		EEEBRM
Cc1n[n-]c(=S)n(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O	ZINC000006685101	462696728	/nfs/dbraw/zinc/69/67/28/462696728.db2.gz	NQMFAYFNCVAKGA-WLRTZDKTSA-N	-1	0	325.737	2.053	40	30		EEEBRM
COc1ccc(-c2cc(=O)n3nc(SCCC#N)[n-]c3n2)cc1	ZINC000009936148	462809032	/nfs/dbraw/zinc/80/90/32/462809032.db2.gz	XGLCWIJIDTVCFP-UHFFFAOYSA-N	-1	0	327.369	2.099	40	30		EEEBRM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccoc1	ZINC000096502369	463293368	/nfs/dbraw/zinc/29/33/68/463293368.db2.gz	TXAOZRGCVLDGQE-UHFFFAOYSA-N	-1	0	325.390	2.442	40	30		EEEBRM
Cc1cc2cc(C#N)c(NCCNC(=O)CCC(=O)[O-])nc2cc1C	ZINC000035312850	463431094	/nfs/dbraw/zinc/43/10/94/463431094.db2.gz	VMDPZHDIXVGJHE-UHFFFAOYSA-N	-1	0	340.383	2.116	40	30		EEEBRM
C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408815626	466683200	/nfs/dbraw/zinc/68/32/00/466683200.db2.gz	XLCQTZAQVXLUIA-DTQAZKPQSA-N	-1	0	346.342	2.365	40	30		EEEBRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C	ZINC000096404844	463239652	/nfs/dbraw/zinc/23/96/52/463239652.db2.gz	ILHAADSNVCOEBU-UHFFFAOYSA-N	-1	0	346.380	2.338	40	30		EEEBRM
COc1cc(/C=C\C(=O)c2c([O-])cc(C)oc2=O)cc(OC)c1O	ZINC000033387544	463420629	/nfs/dbraw/zinc/42/06/29/463420629.db2.gz	NCXJIWTVFHYSKF-PLNGDYQASA-N	-1	0	332.308	2.273	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252516471	464977655	/nfs/dbraw/zinc/97/76/55/464977655.db2.gz	SSIJPRGSGPHKOC-UXLLHSPISA-N	-1	0	345.351	2.360	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccco1	ZINC000408528776	466680464	/nfs/dbraw/zinc/68/04/64/466680464.db2.gz	WISHMRIACQKGOQ-ODGFMFMFSA-N	-1	0	345.742	2.403	40	30		EEEBRM
C=CCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(C)s2)c1=O	ZINC000100512697	219101294	/nfs/dbraw/zinc/10/12/94/219101294.db2.gz	YFDNONJBQQDSJA-UHFFFAOYSA-N	-1	0	342.380	2.305	40	30		EEEBRM
N#CC(=NNc1ccc(C(=O)[O-])cc1)c1nc2ccccc2c(=O)[nH]1	ZINC000019144922	212002314	/nfs/dbraw/zinc/00/23/14/212002314.db2.gz	KTCHHECYHNXNOC-HYARGMPZSA-N	-1	0	333.307	2.373	40	30		EEEBRM
CS[C@@H]1C(C(=O)c2ccccn2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716465	462623936	/nfs/dbraw/zinc/62/39/36/462623936.db2.gz	SLPNJVAYWKXVEG-QGZVFWFLSA-N	-1	0	348.424	2.223	40	30		EEEBRM
N#CC(=C([O-])c1cc(F)cc(F)c1)c1nnnn1-c1ccccc1	ZINC000016523786	462981819	/nfs/dbraw/zinc/98/18/19/462981819.db2.gz	NUFQAXKFPYKVOF-AWEZNQCLSA-N	-1	0	325.278	2.431	40	30		EEEBRM
Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000903883196	1242307918	/nfs/dbraw/zinc/30/79/18/1242307918.db2.gz	FJUPPGPHBBOBAT-SNVBAGLBSA-N	-1	0	342.804	2.271	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2)cc1C(N)=O	ZINC000078989216	217167658	/nfs/dbraw/zinc/16/76/58/217167658.db2.gz	AEEFZHKDTXRRQB-CSKARUKUSA-N	-1	0	344.392	2.453	40	30		EEEBRM
CC(=O)C(C(=O)Nc1ccc(F)cc1)=C1SC(C(=O)[O-])S1	ZINC000062716057	257691315	/nfs/dbraw/zinc/69/13/15/257691315.db2.gz	XCNLCHGGFKHSNW-UHFFFAOYSA-N	-1	0	327.358	2.456	40	30		EEEBRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCc2cscn2)cc1	ZINC000078701059	463141589	/nfs/dbraw/zinc/14/15/89/463141589.db2.gz	HCVZUGGUNDMTGW-UHFFFAOYSA-N	-1	0	335.410	2.434	40	30		EEEBRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12	ZINC000096485699	463284286	/nfs/dbraw/zinc/28/42/86/463284286.db2.gz	VDMGYJRQQGHQHB-UHFFFAOYSA-N	-1	0	342.380	2.082	40	30		EEEBRM
COc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc(C)n1	ZINC000252509279	464975048	/nfs/dbraw/zinc/97/50/48/464975048.db2.gz	YJFAXWDYMYNFPW-INIZCTEOSA-N	-1	0	337.379	2.346	40	30		EEEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408805986	466682968	/nfs/dbraw/zinc/68/29/68/466682968.db2.gz	DKMQTXPAIWKAFY-GHRIWEEISA-N	-1	0	346.342	2.365	40	30		EEEBRM
O=C([O-])Cn1cc(CN=Nc2ncccc2[N+](=O)[O-])c2ccccc21	ZINC000409067725	466685598	/nfs/dbraw/zinc/68/55/98/466685598.db2.gz	POBUBOJVZLJXIP-QGMBQPNBSA-N	-1	0	339.311	2.475	40	30		EEEBRM
C=C1C(C#N)=C([O-])N(CCO)C(=O)C1=NNc1cccc(C(C)=O)c1	ZINC000108423599	1358521243	/nfs/dbraw/zinc/52/12/43/1358521243.db2.gz	USWVXMXRISDMND-FMQUCBEESA-N	-1	0	340.339	2.344	40	30		EEEBRM
C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(Cl)cc1	ZINC000009189447	211050362	/nfs/dbraw/zinc/05/03/62/211050362.db2.gz	VYKAUZXSJNDTEF-QOZZSIDGSA-N	-1	0	325.777	2.126	40	30		EEEBRM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cn2)c1	ZINC000069674981	442008748	/nfs/dbraw/zinc/00/87/48/442008748.db2.gz	DNVWVFIBQJRHFD-UHFFFAOYSA-N	-1	0	331.397	2.107	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccco2)C1=O	ZINC000007343132	462730692	/nfs/dbraw/zinc/73/06/92/462730692.db2.gz	PSVSZMDFERCTOS-HVOBPNNYSA-N	-1	0	325.324	2.058	40	30		EEEBRM
CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)ccc21	ZINC000079037062	217178639	/nfs/dbraw/zinc/17/86/39/217178639.db2.gz	UCJOIOAOXKZRQA-UHFFFAOYSA-N	-1	0	338.429	2.276	40	30		EEEBRM
O=C([O-])C/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1	ZINC000015057167	462939068	/nfs/dbraw/zinc/93/90/68/462939068.db2.gz	PWAYIDQKKBVKKH-UITAMQMPSA-N	-1	0	341.186	2.094	40	30		EEEBRM
Cc1ccc2c(c1)C(=O)C(=CNc1ccc(O)c(C(=O)[O-])c1)[C@@H](O)O2	ZINC000016348147	462975508	/nfs/dbraw/zinc/97/55/08/462975508.db2.gz	PJVYCVYJVNORQK-RORWEDLISA-N	-1	0	341.319	2.288	40	30		EEEBRM
COc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000078410961	463114817	/nfs/dbraw/zinc/11/48/17/463114817.db2.gz	SAOKGLANYYUPCO-LLVKDONJSA-N	-1	0	337.401	2.268	40	30		EEEBRM
O=C([N-]S(=O)(=O)Cc1ccon1)c1cc2c(s1)CCCC2	ZINC000096446471	463270627	/nfs/dbraw/zinc/27/06/27/463270627.db2.gz	DZKXEGXUNZZPNP-UHFFFAOYSA-N	-1	0	326.399	2.450	40	30		EEEBRM
CCCC[C@]1(C)C[C@@]2(C)C(=O)C(O)=C([O-])C3OC(C)=C(O)C(=C32)O1	ZINC000253390424	464997290	/nfs/dbraw/zinc/99/72/90/464997290.db2.gz	LWSJDCYEVJLGHQ-BKPUXCOXSA-N	-1	0	336.384	2.317	40	30	biogenic,in-vitro	EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)c1	ZINC000408528927	466679911	/nfs/dbraw/zinc/67/99/11/466679911.db2.gz	XQEIKJSAKUQRCV-HNNXBMFYSA-N	-1	0	346.346	2.468	40	30		EEEBRM
Cc1cc(C)c2cc(C#N)c(NCCNC(=O)CCC(=O)[O-])nc2c1	ZINC000035311710	213019958	/nfs/dbraw/zinc/01/99/58/213019958.db2.gz	DGFXAIHYDWQHLU-UHFFFAOYSA-N	-1	0	340.383	2.116	40	30		EEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC	ZINC000217522963	241254732	/nfs/dbraw/zinc/25/47/32/241254732.db2.gz	NHTDBAUKSKZUJX-LLVKDONJSA-N	-1	0	326.418	2.450	40	30		EEEBRM
CCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)cc([N+](=O)[O-])c1[O-]	ZINC000408911732	466682802	/nfs/dbraw/zinc/68/28/02/466682802.db2.gz	OHUNOKROIDBRJS-APSNUPSMSA-N	-1	0	347.287	2.448	40	30		EEEBRM
Cc1ccc(N2C(=O)C(=CNc3ccco3)C(=O)[N-]C2=S)cc1	ZINC000408766934	466682926	/nfs/dbraw/zinc/68/29/26/466682926.db2.gz	XDXBLTFVAUVSEC-CHROMADKSA-N	-1	0	327.365	2.354	40	30		EEEBRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccccc1C#N	ZINC000004704657	210253852	/nfs/dbraw/zinc/25/38/52/210253852.db2.gz	XUDFYXVITRIDRT-OVCLIPMQSA-N	-1	0	349.346	2.326	40	30		EEEBRM
CS[C@@H]1C(C(=O)c2cccnc2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716467	462624029	/nfs/dbraw/zinc/62/40/29/462624029.db2.gz	FSPNCHUHBULNRD-QGZVFWFLSA-N	-1	0	348.424	2.223	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)s1	ZINC000078556461	463126638	/nfs/dbraw/zinc/12/66/38/463126638.db2.gz	VSUATEVXXULJSD-MNOVXSKESA-N	-1	0	325.415	2.239	40	30		EEEBRM
Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000225693008	464180383	/nfs/dbraw/zinc/18/03/83/464180383.db2.gz	FPCMYHQOPDSQMZ-UHFFFAOYSA-N	-1	0	344.318	2.420	40	30		EEEBRM
C[C@H](Oc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1)C(=O)[O-]	ZINC000408843675	466683507	/nfs/dbraw/zinc/68/35/07/466683507.db2.gz	GZSUEBUCKFKAFO-VSMYLPJWSA-N	-1	0	338.319	2.169	40	30		EEEBRM
CC(=O)C(N=Nc1ccc(C(=O)[O-])cc1)C(=O)OCc1ccccc1	ZINC000004949830	519354061	/nfs/dbraw/zinc/35/40/61/519354061.db2.gz	ZGJNABQJRMGBCW-CAPFRKAQSA-N	-1	0	340.335	2.485	40	30		EEEBRM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C([O-])=C(C(C)=O)C(=O)C[C@H]1O2	ZINC000001563323	278241823	/nfs/dbraw/zinc/24/18/23/278241823.db2.gz	UCEDYRRYYRYVBN-MLCYQJTMSA-N	-1	0	346.335	2.001	40	30		EEEBRM
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2C#N)CC1	ZINC000004241819	278400277	/nfs/dbraw/zinc/40/02/77/278400277.db2.gz	XOOZIOBTTGKRJZ-HNNXBMFYSA-N	-1	0	345.399	2.237	40	30		EEEBRM
Cn1c(=O)c(/C=N/N=C2\C(=O)Nc3ccccc32)c([O-])c2ccccc21	ZINC000016364009	302892030	/nfs/dbraw/zinc/89/20/30/302892030.db2.gz	JELDTCYCPZFEOF-KEBDBYFISA-N	-1	0	346.346	2.019	40	30		EEEBRM
N#Cc1cnc2cc3c(cc2c1N1CCC(C(=O)[O-])CC1)OCCO3	ZINC000072221260	463483666	/nfs/dbraw/zinc/48/36/66/463483666.db2.gz	WSSHBTKUBXNMGU-UHFFFAOYSA-N	-1	0	339.351	2.179	40	30		EEEBRM
COc1cc2c(cc1OC)C(=NNc1ccc(C(=O)[O-])cc1)C(=O)N2	ZINC000043903286	463661942	/nfs/dbraw/zinc/66/19/42/463661942.db2.gz	JEAKJMBIYPAYDW-UHFFFAOYSA-N	-1	0	341.323	2.170	40	30		EEEBRM
C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCC(=O)[O-]	ZINC000409086338	466685545	/nfs/dbraw/zinc/68/55/45/466685545.db2.gz	QIJFPVBGIRNITM-QPEQYQDCSA-N	-1	0	331.324	2.203	40	30		EEEBRM
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2C#N)CC1	ZINC000004241820	278399950	/nfs/dbraw/zinc/39/99/50/278399950.db2.gz	XOOZIOBTTGKRJZ-OAHLLOKOSA-N	-1	0	345.399	2.237	40	30		EEEBRM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)[O-]	ZINC000504320727	1410204750	/nfs/dbraw/zinc/20/47/50/1410204750.db2.gz	XNZSRYSTBKQWGZ-KJSSNBPFSA-N	-1	0	348.439	2.305	40	30		EEEBRM
Cc1ncc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)s1	ZINC000078556619	217076979	/nfs/dbraw/zinc/07/69/79/217076979.db2.gz	SXCCHAXKNNREQC-UHFFFAOYSA-N	-1	0	343.455	2.121	40	30		EEEBRM
CC(C)(C)NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000004945716	210336729	/nfs/dbraw/zinc/33/67/29/210336729.db2.gz	AEOUVUTWLCSGQZ-UHFFFAOYSA-N	-1	0	337.426	2.174	40	30		EEEBRM
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(O)cc(F)c2)n1	ZINC000585140620	468988856	/nfs/dbraw/zinc/98/88/56/468988856.db2.gz	HLVQBXLRKKIDTB-UHFFFAOYSA-N	-1	0	338.364	2.155	40	30		EEEBRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC1CC1	ZINC000195580220	464081911	/nfs/dbraw/zinc/08/19/11/464081911.db2.gz	UBIANHFYFJHACD-UHFFFAOYSA-N	-1	0	345.424	2.415	40	30		EEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217493039	241253339	/nfs/dbraw/zinc/25/33/39/241253339.db2.gz	RDEDSXRYIOXSJB-UHFFFAOYSA-N	-1	0	336.369	2.054	40	30		EEEBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)s1	ZINC000018100164	211982317	/nfs/dbraw/zinc/98/23/17/211982317.db2.gz	GKXBMQJMGWJZHZ-WUKNDPDISA-N	-1	0	347.385	2.147	40	30		EEEBRM
Cc1sc(NC(=O)CSc2nnc(C)c(=O)[n-]2)c(C#N)c1C	ZINC000008578934	462789907	/nfs/dbraw/zinc/78/99/07/462789907.db2.gz	DYGVQWXYQBBUKD-UHFFFAOYSA-N	-1	0	335.414	2.166	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218440871	241321952	/nfs/dbraw/zinc/32/19/52/241321952.db2.gz	SSIJPRGSGPHKOC-ZOBUZTSGSA-N	-1	0	345.351	2.360	40	30		EEEBRM
O=C(CCCn1cccn1)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000078556487	217077212	/nfs/dbraw/zinc/07/72/12/217077212.db2.gz	TXVWKVSWDXGIBJ-UHFFFAOYSA-N	-1	0	329.328	2.287	40	30		EEEBRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12	ZINC000095350220	218284688	/nfs/dbraw/zinc/28/46/88/218284688.db2.gz	HRUUEACUKPJDMB-VIFPVBQESA-N	-1	0	326.349	2.444	40	30		EEEBRM
CCOC(=O)C(=N[N-]c1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F	ZINC000005457190	462660414	/nfs/dbraw/zinc/66/04/14/462660414.db2.gz	MTQLIGXZJKRJDF-MFOYZWKCSA-N	-1	0	333.222	2.057	40	30		EEEBRM
CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000096404480	463239115	/nfs/dbraw/zinc/23/91/15/463239115.db2.gz	CVPDVCSNPYCMIO-UHFFFAOYSA-N	-1	0	341.429	2.264	40	30		EEEBRM
C=C(Br)CN1C(=O)CCc2cc(OCC(=O)[O-])ccc21	ZINC000218792003	464110056	/nfs/dbraw/zinc/11/00/56/464110056.db2.gz	ZYMVHHUOJBTTDW-UHFFFAOYSA-N	-1	0	340.173	2.338	40	30		EEEBRM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000409096122	466685710	/nfs/dbraw/zinc/68/57/10/466685710.db2.gz	JIFSLOAKRARNII-VIZOYTHASA-N	-1	0	333.260	2.058	40	30		EEEBRM
Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cs1	ZINC000066736562	215073963	/nfs/dbraw/zinc/07/39/63/215073963.db2.gz	SCEJDELRUHOEBM-UHFFFAOYSA-N	-1	0	325.346	2.156	40	30		EEEBRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000078556607	463127055	/nfs/dbraw/zinc/12/70/55/463127055.db2.gz	DBHLZGLROHOLNG-UHFFFAOYSA-N	-1	0	349.412	2.153	40	30		EEEBRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cnn(C)c2)cc1	ZINC000078556429	463127108	/nfs/dbraw/zinc/12/71/08/463127108.db2.gz	UUVKEDRKTZBQTP-GJZGRUSLSA-N	-1	0	349.412	2.268	40	30		EEEBRM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)Cc1c(F)cccc1Cl)C2	ZINC000225682797	464179772	/nfs/dbraw/zinc/17/97/72/464179772.db2.gz	ZRLRRQQMSURJSR-UHFFFAOYSA-N	-1	0	345.761	2.166	40	30		EEEBRM
C=CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409040727	466684035	/nfs/dbraw/zinc/68/40/35/466684035.db2.gz	HWTRIKZAUSUBSM-UHFFFAOYSA-N	-1	0	341.150	2.308	40	30		EEEBRM
C=CCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1	ZINC000217568634	241260875	/nfs/dbraw/zinc/26/08/75/241260875.db2.gz	GGQIDQPPBHCLJU-UHFFFAOYSA-N	-1	0	346.408	2.461	40	30		EEEBRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cscn2)cc([N+](=O)[O-])c1C	ZINC000078410946	217050132	/nfs/dbraw/zinc/05/01/32/217050132.db2.gz	FZYJUXJVYXMMFS-UHFFFAOYSA-N	-1	0	341.370	2.362	40	30		EEEBRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000079029231	463181126	/nfs/dbraw/zinc/18/11/26/463181126.db2.gz	BYLGNOGMVURYOE-OCCSQVGLSA-N	-1	0	344.477	2.358	40	30		EEEBRM
COc1ccccc1CN1c2ccc([N+](=O)[O-])cc2/C(=N/[O-])C1=O	ZINC000104107965	1358347109	/nfs/dbraw/zinc/34/71/09/1358347109.db2.gz	XQHACLHVYPJCHW-ICFOKQHNSA-N	-1	0	327.296	2.329	40	30		EEEBRM
N#CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1	ZINC000224669084	464151459	/nfs/dbraw/zinc/15/14/59/464151459.db2.gz	YCMKREHMHDJKID-UHFFFAOYSA-N	-1	0	330.365	2.033	40	30		EEEBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N/C)N(C)C2=O)c1[O-]	ZINC000408859320	466683595	/nfs/dbraw/zinc/68/35/95/466683595.db2.gz	VSZWEVKIWDELGJ-DBLDUACQSA-N	-1	0	337.357	2.231	40	30		EEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCCC	ZINC000217438873	241250795	/nfs/dbraw/zinc/25/07/95/241250795.db2.gz	AFBVEFMXABSKSH-UHFFFAOYSA-N	-1	0	326.418	2.451	40	30		EEEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc(F)cc2)[C@@H]1SC	ZINC000062716316	462623521	/nfs/dbraw/zinc/62/35/21/462623521.db2.gz	SLUXFHXXDJCCHF-INIZCTEOSA-N	-1	0	337.372	2.331	40	30		EEEBRM
CS[C@H]1C(C(=O)c2cccnc2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716468	462624038	/nfs/dbraw/zinc/62/40/38/462624038.db2.gz	FSPNCHUHBULNRD-KRWDZBQOSA-N	-1	0	348.424	2.223	40	30		EEEBRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c1	ZINC000078556634	463126818	/nfs/dbraw/zinc/12/68/18/463126818.db2.gz	MPEVWHJIYYBFFR-UHFFFAOYSA-N	-1	0	327.365	2.170	40	30		EEEBRM
COc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1OC	ZINC000031638528	463348342	/nfs/dbraw/zinc/34/83/42/463348342.db2.gz	JBWUPOARFJCZAE-YBEGLDIGSA-N	-1	0	336.369	2.397	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccco2)C1=O	ZINC000213434032	464104924	/nfs/dbraw/zinc/10/49/24/464104924.db2.gz	PSVSZMDFERCTOS-SGPNVBEDSA-N	-1	0	325.324	2.058	40	30		EEEBRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21	ZINC000225435851	464159287	/nfs/dbraw/zinc/15/92/87/464159287.db2.gz	YMOFHJGHDAHHNY-UHFFFAOYSA-N	-1	0	343.412	2.376	40	30		EEEBRM
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000409096676	466686003	/nfs/dbraw/zinc/68/60/03/466686003.db2.gz	KOXVVGLJNPMKPO-LZYBPNLTSA-N	-1	0	347.287	2.448	40	30		EEEBRM
Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000078445762	217053287	/nfs/dbraw/zinc/05/32/87/217053287.db2.gz	XCDGEHVKTCLQQY-UHFFFAOYSA-N	-1	0	341.370	2.194	40	30		EEEBRM
O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1scnc1Cl	ZINC000078556626	217077650	/nfs/dbraw/zinc/07/76/50/217077650.db2.gz	AGXHQYUWVIVKGS-UHFFFAOYSA-N	-1	0	343.817	2.409	40	30		EEEBRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1OC	ZINC000252489365	464967004	/nfs/dbraw/zinc/96/70/04/464967004.db2.gz	JOYHWWGQTDGZAF-UHFFFAOYSA-N	-1	0	346.364	2.154	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1	ZINC000408526505	466679045	/nfs/dbraw/zinc/67/90/45/466679045.db2.gz	CMOMWYWFPLAKST-DDLUMYACSA-N	-1	0	335.363	2.465	40	30		EEEBRM
C[C@@H](Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1)C(=O)[O-]	ZINC000059250200	533919248	/nfs/dbraw/zinc/91/92/48/533919248.db2.gz	IZWBNJIHJMSNQX-UWOUAGFBSA-N	-1	0	330.300	2.288	40	30		EEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC	ZINC000217522898	241254142	/nfs/dbraw/zinc/25/41/42/241254142.db2.gz	NHTDBAUKSKZUJX-NSHDSACASA-N	-1	0	326.418	2.450	40	30		EEEBRM
Cc1c(C#N)c2nc3ccccc3n2c(O)c1-c1[n-][nH]c(=O)c1C#N	ZINC000003026082	462609215	/nfs/dbraw/zinc/60/92/15/462609215.db2.gz	QQQFPVIZNWAQJI-UHFFFAOYSA-N	-1	0	330.307	2.341	40	30		EEEBRM
COc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1OC	ZINC000017002171	462992567	/nfs/dbraw/zinc/99/25/67/462992567.db2.gz	JBWUPOARFJCZAE-MHWRWJLKSA-N	-1	0	336.369	2.397	40	30		EEEBRM
Cc1cc(Br)cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000138931423	463314394	/nfs/dbraw/zinc/31/43/94/463314394.db2.gz	XRAWWLSFBXEEFB-UHFFFAOYSA-N	-1	0	330.145	2.476	40	30		EEEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2O	ZINC000034182974	463427069	/nfs/dbraw/zinc/42/70/69/463427069.db2.gz	QPJRFHRTQNTKHS-ZNWBIBPKSA-N	-1	0	348.439	2.471	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1	ZINC000408526508	257898535	/nfs/dbraw/zinc/89/85/35/257898535.db2.gz	CMOMWYWFPLAKST-DEFALTHMSA-N	-1	0	335.363	2.465	40	30		EEEBRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)s1	ZINC000330032296	258002670	/nfs/dbraw/zinc/00/26/70/258002670.db2.gz	LRXVMRHWLIWCSV-UHFFFAOYSA-N	-1	0	342.446	2.373	40	30		EEEBRM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1	ZINC000245239030	258072997	/nfs/dbraw/zinc/07/29/97/258072997.db2.gz	DRCJKZQIRZYOIK-UHFFFAOYSA-N	-1	0	332.307	2.485	40	30		EEEBRM
C=CCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000033403614	463420832	/nfs/dbraw/zinc/42/08/32/463420832.db2.gz	XVCYJZGKLLJZKZ-XQRVVYSFSA-N	-1	0	345.311	2.128	40	30		EEEBRM
CC(=O)C(=CNc1ccc(C(=O)[O-])cc1)c1nnnn1-c1ccccc1	ZINC000035586102	213040615	/nfs/dbraw/zinc/04/06/15/213040615.db2.gz	UTERCSSAZYGPNN-LFIBNONCSA-N	-1	0	349.350	2.403	40	30		EEEBRM
Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCCC(=O)[O-])C1	ZINC000008636088	462790377	/nfs/dbraw/zinc/79/03/77/462790377.db2.gz	DQKSVRSVVYXDFM-HUUCEWRRSA-N	-1	0	344.415	2.197	40	30	biogenic,in-vitro	EEEBRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)Cc1ccc(C)o1	ZINC000095460288	463089581	/nfs/dbraw/zinc/08/95/81/463089581.db2.gz	UBTDXTBKBZTYEJ-UHFFFAOYSA-N	-1	0	339.417	2.334	40	30		EEEBRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1	ZINC000078719153	202398493	/nfs/dbraw/zinc/39/84/93/202398493.db2.gz	TUEBESPSWSUINS-AWEZNQCLSA-N	-1	0	338.429	2.234	40	30		EEEBRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2	ZINC000192625943	239808045	/nfs/dbraw/zinc/80/80/45/239808045.db2.gz	JZEXEFYABMMNGY-UHFFFAOYSA-N	-1	0	346.412	2.289	40	30		EEEBRM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)c1cc(-c3ccccc3)on1)C2	ZINC000225681295	241984803	/nfs/dbraw/zinc/98/48/03/241984803.db2.gz	JLLZZPYZJBCDMJ-UHFFFAOYSA-N	-1	0	346.346	2.100	40	30		EEEBRM
COc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2c(C)nn(C)c2C)c1	ZINC000078556576	533679885	/nfs/dbraw/zinc/67/98/85/533679885.db2.gz	OMBIPRLDPZLDBT-CMDGGOBGSA-N	-1	0	349.412	2.404	40	30		EEEBRM
COc1ccccc1NC(=O)C(C(C)=O)=C1SC(C(=O)[O-])S1	ZINC000062716059	462623574	/nfs/dbraw/zinc/62/35/74/462623574.db2.gz	WQLZVAHTPSNNAA-UHFFFAOYSA-N	-1	0	339.394	2.325	40	30		EEEBRM
CN(C(=O)c1cccc(C(=O)[N-]S(C)(=O)=O)c1)c1ccccc1	ZINC000078556443	463126647	/nfs/dbraw/zinc/12/66/47/463126647.db2.gz	UAWIMKRWQMGXBA-UHFFFAOYSA-N	-1	0	332.381	2.227	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccco1	ZINC000408528764	466680055	/nfs/dbraw/zinc/68/00/55/466680055.db2.gz	WISHMRIACQKGOQ-AGZSBTIMSA-N	-1	0	345.742	2.403	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccco2)C1=O	ZINC000408527981	466680230	/nfs/dbraw/zinc/68/02/30/466680230.db2.gz	PSVSZMDFERCTOS-VQIMKDEXSA-N	-1	0	325.324	2.058	40	30		EEEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)c1	ZINC000408526513	466679471	/nfs/dbraw/zinc/67/94/71/466679471.db2.gz	CSBZWDLKUNRTSV-HNNXBMFYSA-N	-1	0	337.335	2.297	40	30		EEEBRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)cc1	ZINC000078556425	528572630	/nfs/dbraw/zinc/57/26/30/528572630.db2.gz	DVVMBCKUBAIESD-UHFFFAOYSA-N	-1	0	337.401	2.407	40	30		EEEBRM
C#CCN1C(=O)S/C(=C/c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409054272	257881500	/nfs/dbraw/zinc/88/15/00/257881500.db2.gz	FEQSHVPFYYTIPV-XYOKQWHBSA-N	-1	0	348.336	2.369	40	30		EEEBRM
CN(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1	ZINC000330032925	258002317	/nfs/dbraw/zinc/00/23/17/258002317.db2.gz	UYEXUWLILPUCHT-UHFFFAOYSA-N	-1	0	348.428	2.053	40	30		EEEBRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1	ZINC000078611976	523789400	/nfs/dbraw/zinc/78/94/00/523789400.db2.gz	UCMGLQNRBCPZGL-GDBMZVCRSA-N	-1	0	341.429	2.404	40	30		EEEBRM
CC(=O)C(C(=O)NCc1ccc(F)cc1)=C1SC(C(=O)[O-])S1	ZINC000062716071	462623970	/nfs/dbraw/zinc/62/39/70/462623970.db2.gz	KHHJWABGTPTRAD-UHFFFAOYSA-N	-1	0	341.385	2.133	40	30		EEEBRM
Cc1nn(C)cc1CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000096444356	463269702	/nfs/dbraw/zinc/26/97/02/463269702.db2.gz	DTYCLYKUBSWMDQ-UHFFFAOYSA-N	-1	0	339.392	2.454	40	30		EEEBRM
Cc1ccccc1N=Cc1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O	ZINC000100967376	204000318	/nfs/dbraw/zinc/00/03/18/204000318.db2.gz	NYFHYUJWJNXSMH-JMIUGGIZSA-N	-1	0	339.326	2.430	40	30		EEEBRM
CCCCCCCCN(CCOCCO)C(=O)CCCC(=O)[O-]	ZINC000100924218	204000557	/nfs/dbraw/zinc/00/05/57/204000557.db2.gz	WGIOXGYCDDJUKW-UHFFFAOYSA-N	-1	0	331.453	2.439	40	30		EEEBRM
O=C([O-])c1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1	ZINC000096792611	304231245	/nfs/dbraw/zinc/23/12/45/304231245.db2.gz	KCLHKESAZANBIX-LCYFTJDESA-N	-1	0	328.345	2.438	40	30		EEEBRM
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005631045	303177715	/nfs/dbraw/zinc/17/77/15/303177715.db2.gz	WZLCLOLLPJCYHV-WVWOOGAGSA-N	-1	0	346.408	2.315	40	30		EEEBRM
N#CC(=C([O-])c1cc(F)cc(F)c1)c1nnnn1-c1ccccc1	ZINC000016523784	462982558	/nfs/dbraw/zinc/98/25/58/462982558.db2.gz	NUFQAXKFPYKVOF-CQSZACIVSA-N	-1	0	325.278	2.431	40	30		EEEBRM
COc1cccc2cc(C(=O)N3CCc4[n-]c(=O)c(C#N)cc4C3)oc21	ZINC000225681370	464179889	/nfs/dbraw/zinc/17/98/89/464179889.db2.gz	AUDBKEXQCKUYBI-UHFFFAOYSA-N	-1	0	349.346	2.200	40	30		EEEBRM
C=CCN1C(=O)N/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000409132375	466685630	/nfs/dbraw/zinc/68/56/30/466685630.db2.gz	OHOPQTADZLNARV-RVDMUPIBSA-N	-1	0	337.335	2.254	40	30		EEEBRM
C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409128924	466685733	/nfs/dbraw/zinc/68/57/33/466685733.db2.gz	PYBICIVUILCWIM-RVDMUPIBSA-N	-1	0	337.335	2.254	40	30		EEEBRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000092697293	237039864	/nfs/dbraw/zinc/03/98/64/237039864.db2.gz	IBVLAODDRWHCAV-UHFFFAOYSA-N	-1	0	345.783	2.469	40	30		EEEBRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)cc1C	ZINC000078556557	533036467	/nfs/dbraw/zinc/03/64/67/533036467.db2.gz	QIHYGXFOXNMRID-UHFFFAOYSA-N	-1	0	337.401	2.326	40	30		EEEBRM
C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000079098848	463188096	/nfs/dbraw/zinc/18/80/96/463188096.db2.gz	JGDVFXZHSWJSTK-ZETCQYMHSA-N	-1	0	333.710	2.352	40	30		EEEBRM
COCc1cc(C)nc(N=NCc2ccc([O-])c([N+](=O)[O-])c2)c1C#N	ZINC000059433707	463642946	/nfs/dbraw/zinc/64/29/46/463642946.db2.gz	ORTLGENQKQWPEG-QGMBQPNBSA-N	-1	0	341.327	2.468	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1	ZINC000408526804	466679593	/nfs/dbraw/zinc/67/95/93/466679593.db2.gz	GLZIJFVZHAIFHW-KPYNCUPYSA-N	-1	0	325.324	2.058	40	30		EEEBRM
COc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OCC(=O)[O-]	ZINC000409086238	466685449	/nfs/dbraw/zinc/68/54/49/466685449.db2.gz	QEDQTVGCKANVTI-OQFOIZHKSA-N	-1	0	325.704	2.128	40	30		EEEBRM
CCN(CC)C(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000004945419	462641634	/nfs/dbraw/zinc/64/16/34/462641634.db2.gz	DSIZBPIYPCVZOL-UHFFFAOYSA-N	-1	0	337.426	2.127	40	30		EEEBRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCOc2ccccc21	ZINC000077558821	463005694	/nfs/dbraw/zinc/00/56/94/463005694.db2.gz	HHYPBEXDWGFXKH-ZDUSSCGKSA-N	-1	0	349.412	2.248	40	30		EEEBRM
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)c3c(c2)OCCO3)C(=O)O1	ZINC000047748893	204339041	/nfs/dbraw/zinc/33/90/41/204339041.db2.gz	UCAXITYQETVWCM-XYBNCVKDSA-N	-1	0	348.738	2.339	40	30		EEEBRM
CC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	ZINC000079036968	278319061	/nfs/dbraw/zinc/31/90/61/278319061.db2.gz	JPXFHDSJHBUOJW-IINYFYTJSA-N	-1	0	348.490	2.163	40	30		EEEBRM
COc1ccc([C@H]2c3c(C)[nH]nc3Oc3[n-]c(=O)c(C#N)c(N)c32)cc1	ZINC000005640783	295252958	/nfs/dbraw/zinc/25/29/58/295252958.db2.gz	DEOCXJCKQDXNEA-ZDUSSCGKSA-N	-1	0	349.350	2.155	40	30		EEEBRM
N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)sc2c1CCCC2	ZINC000225608659	303177739	/nfs/dbraw/zinc/17/77/39/303177739.db2.gz	WZLCLOLLPJCYHV-XCCSTKFXSA-N	-1	0	346.408	2.315	40	30		EEEBRM
CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000390834530	323545563	/nfs/dbraw/zinc/54/55/63/323545563.db2.gz	AUJRKGPSGMCFFL-UHFFFAOYSA-N	-1	0	345.380	2.028	40	30		EEEBRM
C=CCNS(=O)(=O)c1ccc(N[C@H](C)CCC)c(C(=O)[O-])c1	ZINC000217570426	241260884	/nfs/dbraw/zinc/26/08/84/241260884.db2.gz	IOWMZQLPPNULKO-LLVKDONJSA-N	-1	0	326.418	2.450	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)s1	ZINC000078556462	463126837	/nfs/dbraw/zinc/12/68/37/463126837.db2.gz	VSUATEVXXULJSD-WDEREUQCSA-N	-1	0	325.415	2.239	40	30		EEEBRM
CCc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195575726	464080472	/nfs/dbraw/zinc/08/04/72/464080472.db2.gz	ZQRNOANIOYKROS-UHFFFAOYSA-N	-1	0	342.420	2.309	40	30		EEEBRM
NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccc(F)cc2)c1=O	ZINC000100530554	219100879	/nfs/dbraw/zinc/10/08/79/219100879.db2.gz	YHSCNCCLXJILBK-XSFVSMFZSA-N	-1	0	341.371	2.084	40	30		EEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)CCC	ZINC000217439053	241250910	/nfs/dbraw/zinc/25/09/10/241250910.db2.gz	LDUSBANJARHLMZ-NSHDSACASA-N	-1	0	326.418	2.450	40	30		EEEBRM
CCS[C@@H]1C(C(=O)c2ccc(OC)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716267	462623626	/nfs/dbraw/zinc/62/36/26/462623626.db2.gz	GRWWISWDHABUCC-QGZVFWFLSA-N	-1	0	349.408	2.200	40	30		EEEBRM
C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)CC1	ZINC000012889026	277790001	/nfs/dbraw/zinc/79/00/01/277790001.db2.gz	GHIGRDADUISATB-INJPQVFBSA-N	-1	0	329.396	2.156	40	30		EEEBRM
NC(=S)N/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000005897825	462671635	/nfs/dbraw/zinc/67/16/35/462671635.db2.gz	JPEJJDBFVJPFRR-GIJQJNRQSA-N	-1	0	329.381	2.131	40	30		EEEBRM
CCOc1cc([N+](=O)[O-])cc(C=NNc2ccc([N+](=O)[O-])cn2)c1[O-]	ZINC000408909361	466682952	/nfs/dbraw/zinc/68/29/52/466682952.db2.gz	GSCSIJUUOFSGIK-APSNUPSMSA-N	-1	0	347.287	2.448	40	30		EEEBRM
N#Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000408859976	466683274	/nfs/dbraw/zinc/68/32/74/466683274.db2.gz	WKDUGGGFOLMPQY-OQLLNIDSSA-N	-1	0	335.294	2.364	40	30		EEEBRM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C([O-])=C(C(C)=O)C(=O)C[C@@H]1O2	ZINC000001563320	278241813	/nfs/dbraw/zinc/24/18/13/278241813.db2.gz	UCEDYRRYYRYVBN-YPMLDQLKSA-N	-1	0	346.335	2.001	40	30		EEEBRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1ccccc1C#N	ZINC000015012642	462938680	/nfs/dbraw/zinc/93/86/80/462938680.db2.gz	XUDFYXVITRIDRT-NVNXTCNLSA-N	-1	0	349.346	2.326	40	30		EEEBRM
CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000079029184	463181025	/nfs/dbraw/zinc/18/10/25/463181025.db2.gz	XWNHITPJTLFRRQ-UWVGGRQHSA-N	-1	0	340.401	2.087	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccco1	ZINC000408528775	466680281	/nfs/dbraw/zinc/68/02/81/466680281.db2.gz	WISHMRIACQKGOQ-OCTXWABXSA-N	-1	0	345.742	2.403	40	30		EEEBRM
C=CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409057759	466685905	/nfs/dbraw/zinc/68/59/05/466685905.db2.gz	QROCCHDOVFIZHM-UHFFFAOYSA-N	-1	0	341.150	2.308	40	30		EEEBRM
C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)C1CCOCC1	ZINC000078556656	217077080	/nfs/dbraw/zinc/07/70/80/217077080.db2.gz	STNJDZDFMJNKIS-LBPRGKRZSA-N	-1	0	338.429	2.456	40	30		EEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cccc(O)c1	ZINC000006240753	284866118	/nfs/dbraw/zinc/86/61/18/284866118.db2.gz	KEXQJMMEHGKVCQ-YFEUJDIGSA-N	-1	0	339.376	2.159	40	30		EEEBRM
C=CCc1cc(C=C2SC(=O)NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000016195377	462971363	/nfs/dbraw/zinc/97/13/63/462971363.db2.gz	OQTZQNRJVIKZHF-GHXNOFRVSA-N	-1	0	349.364	2.211	40	30		EEEBRM
Cn1cc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1	ZINC000078556482	463127126	/nfs/dbraw/zinc/12/71/26/463127126.db2.gz	HSZYOFGGROEBRD-HOTGVXAUSA-N	-1	0	345.424	2.358	40	30		EEEBRM
N#Cc1ccc(S(=O)(=O)[N-]c2cncnc2-c2ccccc2)cn1	ZINC000253419257	465007304	/nfs/dbraw/zinc/00/73/04/465007304.db2.gz	LDQVZWHNTHNMNM-UHFFFAOYSA-N	-1	0	337.364	2.211	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)c1	ZINC000408528223	466680091	/nfs/dbraw/zinc/68/00/91/466680091.db2.gz	UMMSNUVLXPJSNN-MRXNPFEDSA-N	-1	0	346.346	2.468	40	30		EEEBRM
C/C(=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(Cl)cc1	ZINC000009189448	211050162	/nfs/dbraw/zinc/05/01/62/211050162.db2.gz	VYKAUZXSJNDTEF-SMUOPJFFSA-N	-1	0	325.777	2.126	40	30		EEEBRM
C#CCN1C(=O)S/C(=C\c2cn(CC(=O)[O-])c3ccccc23)C1=O	ZINC000015012783	462938691	/nfs/dbraw/zinc/93/86/91/462938691.db2.gz	RNXKVUCQJXZJQZ-ZSOIEALJSA-N	-1	0	340.360	2.395	40	30		EEEBRM
C#CCOc1c(OCC)cc(I)cc1C(=O)[O-]	ZINC000225282510	464156294	/nfs/dbraw/zinc/15/62/94/464156294.db2.gz	RWFRQEYWMYXLIA-UHFFFAOYSA-N	-1	0	346.120	2.400	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1	ZINC000408528869	466679848	/nfs/dbraw/zinc/67/98/48/466679848.db2.gz	XDXJVEXRXGFGOP-SDLDRHLBSA-N	-1	0	335.363	2.465	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccnc1	ZINC000408526945	466680283	/nfs/dbraw/zinc/68/02/83/466680283.db2.gz	IEZFXAGYXZBKRT-CYBMUJFWSA-N	-1	0	342.742	2.337	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218033352	241292218	/nfs/dbraw/zinc/29/22/18/241292218.db2.gz	FXZHTSSYVPDVHL-YQQAZPJKSA-N	-1	0	327.361	2.221	40	30		EEEBRM
C[C@@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000011616937	211226381	/nfs/dbraw/zinc/22/63/81/211226381.db2.gz	UQWLOWFDKAFKAP-WCFLWFBJSA-N	-1	0	325.455	2.399	40	30		EEEBRM
COc1ccc(NC(=O)C(C(C)=O)=C2SC(C(=O)[O-])S2)cc1	ZINC000062716056	462623441	/nfs/dbraw/zinc/62/34/41/462623441.db2.gz	NIPFFKJJEOXZTA-UHFFFAOYSA-N	-1	0	339.394	2.325	40	30		EEEBRM
COc1cccc(OC)c1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000006182478	462678975	/nfs/dbraw/zinc/67/89/75/462678975.db2.gz	VFRAVVJZUYYUMR-OMCISZLKSA-N	-1	0	332.307	2.485	40	30		EEEBRM
CCc1n[n-]c(=S)n1N=Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000008182900	462771624	/nfs/dbraw/zinc/77/16/24/462771624.db2.gz	WGYWZNPILBOTTG-VGOFMYFVSA-N	-1	0	337.361	2.311	40	30		EEEBRM
N#C[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000242495178	464457572	/nfs/dbraw/zinc/45/75/72/464457572.db2.gz	FXZHTSSYVPDVHL-INMHGKMJSA-N	-1	0	327.361	2.221	40	30		EEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000217471669	241253296	/nfs/dbraw/zinc/25/32/96/241253296.db2.gz	ACVUSCFQIQRSKI-UHFFFAOYSA-N	-1	0	346.408	2.461	40	30		EEEBRM
COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc([N+](=O)[O-])c1[O-]	ZINC000000028489	462540248	/nfs/dbraw/zinc/54/02/48/462540248.db2.gz	VLSXKFOAMQBYNT-FRKPEAEDSA-N	-1	0	328.284	2.229	40	30		EEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1	ZINC000217437514	241250082	/nfs/dbraw/zinc/25/00/82/241250082.db2.gz	QPSDOUVIFBNZQY-UHFFFAOYSA-N	-1	0	346.408	2.461	40	30		EEEBRM
Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1F	ZINC000095417498	218356913	/nfs/dbraw/zinc/35/69/13/218356913.db2.gz	MCAZFGDPFCSHKC-UHFFFAOYSA-N	-1	0	326.328	2.184	40	30		EEEBRM
CC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	ZINC000079036980	278318951	/nfs/dbraw/zinc/31/89/51/278318951.db2.gz	JPXFHDSJHBUOJW-QMTHXVAHSA-N	-1	0	348.490	2.163	40	30		EEEBRM
CSC1C(C(=O)C(F)(F)F)=C(CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716459	462624005	/nfs/dbraw/zinc/62/40/05/462624005.db2.gz	MSPSQTCTVRCFMQ-GFCCVEGCSA-N	-1	0	339.335	2.076	40	30		EEEBRM
C=CCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)[O-]	ZINC000217652269	241266164	/nfs/dbraw/zinc/26/61/64/241266164.db2.gz	XGVNWWFYYUSWBE-UHFFFAOYSA-N	-1	0	326.418	2.307	40	30		EEEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1	ZINC000408526510	257898454	/nfs/dbraw/zinc/89/84/54/257898454.db2.gz	CMOMWYWFPLAKST-SDLDRHLBSA-N	-1	0	335.363	2.465	40	30		EEEBRM
C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(CC=C)C2=O)c2ccccc21	ZINC000006947847	462714218	/nfs/dbraw/zinc/71/42/18/462714218.db2.gz	KISLZBOXBBIRGG-RVDMUPIBSA-N	-1	0	335.363	2.475	40	30		EEEBRM
CCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cn1	ZINC000083791697	463562551	/nfs/dbraw/zinc/56/25/51/463562551.db2.gz	YZSXHYXDIKBLPB-UHFFFAOYSA-N	-1	0	327.793	2.391	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNc1ccccc1	ZINC000408528951	466679992	/nfs/dbraw/zinc/67/99/92/466679992.db2.gz	XZABIHITZKVUAM-LBPRGKRZSA-N	-1	0	325.299	2.427	40	30		EEEBRM
COc1cc([N+](=O)[O-])cc(CN=Nc2ncccc2[N+](=O)[O-])c1[O-]	ZINC000409070417	466685271	/nfs/dbraw/zinc/68/52/71/466685271.db2.gz	ZFZMLANDXYXHQD-VIZOYTHASA-N	-1	0	333.260	2.058	40	30		EEEBRM
N#CCN1CC[C@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000096496457	463288836	/nfs/dbraw/zinc/28/88/36/463288836.db2.gz	FPXVWLDDQCVICA-OLZOCXBDSA-N	-1	0	329.297	2.186	40	30		EEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCCC	ZINC000217514730	241254093	/nfs/dbraw/zinc/25/40/93/241254093.db2.gz	RUNZUEBHZLHAKA-UHFFFAOYSA-N	-1	0	326.418	2.451	40	30		EEEBRM
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)[O-]	ZINC000504320729	1410204595	/nfs/dbraw/zinc/20/45/95/1410204595.db2.gz	XNZSRYSTBKQWGZ-QTXNHLGWSA-N	-1	0	348.439	2.305	40	30		EEEBRM
Oc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c(O)c1O	ZINC000004737953	210264543	/nfs/dbraw/zinc/26/45/43/210264543.db2.gz	WHUPBGPEKXZVSH-REZTVBANSA-N	-1	0	336.311	2.069	40	30		EEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C#CCO[C@H]2CCCCO2)cc1	ZINC000001575048	462583346	/nfs/dbraw/zinc/58/33/46/462583346.db2.gz	ZWDSETFGRILOIT-INIZCTEOSA-N	-1	0	337.397	2.187	40	30		EEEBRM
CCOc1cc(/C=N/NC(=N)c2ccccn2)cc([N+](=O)[O-])c1[O-]	ZINC000005610397	462664404	/nfs/dbraw/zinc/66/44/04/462664404.db2.gz	VIOUUMPKBKZBPK-GIJQJNRQSA-N	-1	0	329.316	2.043	40	30		EEEBRM
C/N=C1/S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)N1C	ZINC000101532798	219132839	/nfs/dbraw/zinc/13/28/39/219132839.db2.gz	LZDYZFSZKTYEOE-HYWUOCGWSA-N	-1	0	327.749	2.486	40	30		EEEBRM
N#Cc1cc2c([n-]c1=O)CCN(C(=O)c1nc3ccccc3s1)C2	ZINC000225681060	464179556	/nfs/dbraw/zinc/17/95/56/464179556.db2.gz	IGUJDNNHYTWRCN-UHFFFAOYSA-N	-1	0	336.376	2.055	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)cc1	ZINC000408526892	466680157	/nfs/dbraw/zinc/68/01/57/466680157.db2.gz	HQYRSJAENYLGRV-HNNXBMFYSA-N	-1	0	346.346	2.468	40	30		EEEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)cc1	ZINC000408528145	466680397	/nfs/dbraw/zinc/68/03/97/466680397.db2.gz	SJIDXUBBNXSIFA-MRXNPFEDSA-N	-1	0	346.346	2.468	40	30		EEEBRM
O=C([O-])c1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1	ZINC000056678348	214384162	/nfs/dbraw/zinc/38/41/62/214384162.db2.gz	BMKQAVSHJVGEBQ-ZDLGFXPLSA-N	-1	0	343.364	2.179	40	30		EEEBRM
COCCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000078986268	217165407	/nfs/dbraw/zinc/16/54/07/217165407.db2.gz	SJONPJHBIPMACG-VIFPVBQESA-N	-1	0	348.402	2.008	40	30		EEEBRM
CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2)cn1	ZINC000096442694	218824606	/nfs/dbraw/zinc/82/46/06/218824606.db2.gz	NAQREFZYSBEKCW-UHFFFAOYSA-N	-1	0	325.365	2.471	40	30		EEEBRM
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)C(C)C	ZINC000096486923	463285363	/nfs/dbraw/zinc/28/53/63/463285363.db2.gz	KMELWLSIKBYEPD-UHFFFAOYSA-N	-1	0	341.355	2.299	40	30		EEEBRM
Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)oc2c1C(=O)CCC2	ZINC000193532604	463716831	/nfs/dbraw/zinc/71/68/31/463716831.db2.gz	GRHJYKSQOLOXPB-LLVKDONJSA-N	-1	0	337.335	2.463	40	30		EEEBRM
Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)c(F)c1	ZINC000195580343	464081237	/nfs/dbraw/zinc/08/12/37/464081237.db2.gz	PVHQJPJEQQOJIF-UHFFFAOYSA-N	-1	0	332.356	2.266	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O	ZINC000408526571	466679434	/nfs/dbraw/zinc/67/94/34/466679434.db2.gz	DWSWOEQRCROAIY-DKNZLLBESA-N	-1	0	335.363	2.465	40	30		EEEBRM
C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409075505	466685177	/nfs/dbraw/zinc/68/51/77/466685177.db2.gz	RDPJXJSFEUOIFW-MDWZMJQESA-N	-1	0	349.364	2.381	40	30		EEEBRM
COc1ccc(/C=C2/CN(c3ccc(C(=O)[O-])cc3)C(=O)C2=O)cc1	ZINC000016954572	211941796	/nfs/dbraw/zinc/94/17/96/211941796.db2.gz	JVGHCDFCVAOAHR-UVTDQMKNSA-N	-1	0	337.331	2.393	40	30		EEEBRM
Cc1ccc2c(c1)C(=O)C(=CNc1ccc(O)c(C(=O)[O-])c1)[C@H](O)O2	ZINC000016348144	211896355	/nfs/dbraw/zinc/89/63/55/211896355.db2.gz	PJVYCVYJVNORQK-INMULRNOSA-N	-1	0	341.319	2.288	40	30		EEEBRM
CC1CCC2(CC1)NC(=O)N(N=Cc1ccc(C(=O)[O-])cc1)C2=O	ZINC000006687309	281769920	/nfs/dbraw/zinc/76/99/20/281769920.db2.gz	AWOJUEXPDFOZPA-VCHYOVAHSA-N	-1	0	329.356	2.219	40	30		EEEBRM
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005631048	303177422	/nfs/dbraw/zinc/17/74/22/303177422.db2.gz	WZLCLOLLPJCYHV-XWUBHJNHSA-N	-1	0	346.408	2.315	40	30		EEEBRM
O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1ccc(Br)cc1	ZINC000013407926	462891800	/nfs/dbraw/zinc/89/18/00/462891800.db2.gz	VCURCGOMCFXDRN-UHFFFAOYSA-N	-1	0	335.083	2.265	40	30		EEEBRM
C#CCOc1c(I)cc(OC)cc1C(=O)[O-]	ZINC000225280806	464155679	/nfs/dbraw/zinc/15/56/79/464155679.db2.gz	UKCHYWQQMPEDCV-UHFFFAOYSA-N	-1	0	332.093	2.010	40	30		EEEBRM
COc1ccccc1N=Nc1c(C)[n-]n(CN2CCCCC2)c1=O	ZINC000004712303	210256063	/nfs/dbraw/zinc/25/60/63/210256063.db2.gz	UWWYHJZIXJVLIY-MNDPQUGUSA-N	-1	0	329.404	2.125	40	30		EEEBRM
CCCN(CCC)C(=O)c1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000078410943	217049806	/nfs/dbraw/zinc/04/98/06/217049806.db2.gz	FWNRMCNDLXMQCU-UHFFFAOYSA-N	-1	0	326.418	2.213	40	30		EEEBRM
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)[O-]	ZINC000504320728	1410204312	/nfs/dbraw/zinc/20/43/12/1410204312.db2.gz	XNZSRYSTBKQWGZ-PEIUPEMUSA-N	-1	0	348.439	2.305	40	30		EEEBRM
C=CCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217569271	241261152	/nfs/dbraw/zinc/26/11/52/241261152.db2.gz	AOGMVBJRXOZIQH-UHFFFAOYSA-N	-1	0	336.369	2.054	40	30		EEEBRM
CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2)n1	ZINC000078984738	217163679	/nfs/dbraw/zinc/16/36/79/217163679.db2.gz	QUTLWWGQSQQBCH-UHFFFAOYSA-N	-1	0	336.417	2.072	40	30		EEEBRM
CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000048424625	462908316	/nfs/dbraw/zinc/90/83/16/462908316.db2.gz	CRWKWTNPCUEFMG-UHFFFAOYSA-N	-1	0	326.418	2.337	40	30		EEEBRM
N#C[C@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242648785	464458630	/nfs/dbraw/zinc/45/86/30/464458630.db2.gz	RHTDWAWNXDHRHS-UXLLHSPISA-N	-1	0	345.351	2.360	40	30		EEEBRM
CC(C)(C)OC(=O)CCSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000252496070	464968923	/nfs/dbraw/zinc/96/89/23/464968923.db2.gz	PEPSCCJEQZKMRR-UHFFFAOYSA-N	-1	0	334.401	2.272	40	30		EEEBRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cccc1Cl	ZINC000016925831	281699504	/nfs/dbraw/zinc/69/95/04/281699504.db2.gz	HVIZLOVRDVDSEP-NVNXTCNLSA-N	-1	0	330.200	2.223	40	30		EEEBRM
CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000195573245	323515118	/nfs/dbraw/zinc/51/51/18/323515118.db2.gz	HDIJDCWSXPLZDI-UHFFFAOYSA-N	-1	0	336.804	2.473	40	30		EEEBRM
CS[C@@H]1C(C(=O)c2ccncc2)C(=CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716469	462624055	/nfs/dbraw/zinc/62/40/55/462624055.db2.gz	JMSLOQCVXDFLAG-QGZVFWFLSA-N	-1	0	348.424	2.223	40	30		EEEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O	ZINC000408526573	466679524	/nfs/dbraw/zinc/67/95/24/466679524.db2.gz	DWSWOEQRCROAIY-GEYIUBJWSA-N	-1	0	335.363	2.465	40	30		EEEBRM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccc(Cl)cc1Cl	ZINC000036619639	213103416	/nfs/dbraw/zinc/10/34/16/213103416.db2.gz	MCSANQYMXNDFPX-LBPRGKRZSA-N	-1	0	344.150	2.362	40	30		EEEBRM
CCOc1cc([N+](=O)[O-])cc(CN=Nc2ncccc2[N+](=O)[O-])c1[O-]	ZINC000409108192	466685922	/nfs/dbraw/zinc/68/59/22/466685922.db2.gz	SFQDUWPQHGNEJM-LZYBPNLTSA-N	-1	0	347.287	2.448	40	30		EEEBRM
Cc1ccccc1N=Nc1c(-c2ccccc2)[n-]n(C(N)=S)c1=O	ZINC000100530522	219101359	/nfs/dbraw/zinc/10/13/59/219101359.db2.gz	AFPBCLINQKEIJG-HMMYKYKNSA-N	-1	0	337.408	2.253	40	30		EEEBRM
Cn1cc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1	ZINC000078556484	463127181	/nfs/dbraw/zinc/12/71/81/463127181.db2.gz	HSZYOFGGROEBRD-JKSUJKDBSA-N	-1	0	345.424	2.358	40	30		EEEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2c(C)noc2C)s1	ZINC000225826870	464181835	/nfs/dbraw/zinc/18/18/35/464181835.db2.gz	QWJFJRWAOIWCQT-UHFFFAOYSA-N	-1	0	332.432	2.222	40	30		EEEBRM
COc1ccccc1/C=N/OC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000016310211	524325968	/nfs/dbraw/zinc/32/59/68/524325968.db2.gz	XSTRPTBWOQJSSC-GZTJUZNOSA-N	-1	0	348.380	2.453	40	30		EEEBRM
O=C([O-])c1ccc(S(=O)(=O)/N=C2/C=CC(=O)c3ccccc32)cc1	ZINC000100869612	1404897055	/nfs/dbraw/zinc/89/70/55/1404897055.db2.gz	PDKVQEOYHRTSBN-SDXDJHTJSA-N	-1	0	341.344	2.315	40	30		EEEBRM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)s1	ZINC000040161428	213276565	/nfs/dbraw/zinc/27/65/65/213276565.db2.gz	JRMOSAFFUJEIBT-UHFFFAOYSA-N	-1	0	335.410	2.057	40	30		EEEBRM
CCc1ccc(C(=O)C2C(=CC(=O)[O-])C(=O)N(C)[C@@H]2SC)cc1	ZINC000062716207	257690987	/nfs/dbraw/zinc/69/09/87/257690987.db2.gz	FCQYWKQMLBJFED-QGZVFWFLSA-N	-1	0	333.409	2.364	40	30		EEEBRM
O=C([O-])N=C1NC(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S1	ZINC000408730681	257890461	/nfs/dbraw/zinc/89/04/61/257890461.db2.gz	TXHFSQWKFWLHDB-MBXJOHMKSA-N	-1	0	326.717	2.307	40	30		EEEBRM
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C1(C)CCCC1	ZINC000069579525	289034443	/nfs/dbraw/zinc/03/44/43/289034443.db2.gz	BCVWJHNPEJHEAU-UHFFFAOYSA-N	-1	0	339.417	2.009	40	30		EEEBRM
COc1ccc(/C=C2\CN(c3ccc(C(=O)[O-])cc3)C(=O)C2=O)cc1	ZINC000001725292	295053050	/nfs/dbraw/zinc/05/30/50/295053050.db2.gz	JVGHCDFCVAOAHR-GXDHUFHOSA-N	-1	0	337.331	2.393	40	30		EEEBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNc1ccccc1	ZINC000408528947	466680563	/nfs/dbraw/zinc/68/05/63/466680563.db2.gz	XZABIHITZKVUAM-GFCCVEGCSA-N	-1	0	325.299	2.427	40	30		EEEBRM
N#CC(C#N)=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104123267	219348886	/nfs/dbraw/zinc/34/88/86/219348886.db2.gz	RLXWNTHNSXQSLK-VHEBQXMUSA-N	-1	0	326.341	2.382	40	30		EEEBRM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCC#N	ZINC000022078794	212276860	/nfs/dbraw/zinc/27/68/60/212276860.db2.gz	HLTQPMPYCDEFBR-RVDMUPIBSA-N	-1	0	349.346	2.059	40	30		EEEBRM
O=C([N-]CCN(C(=O)C(F)(F)F)c1ccc(F)cc1)C(F)(F)F	ZINC000001572875	462583371	/nfs/dbraw/zinc/58/33/71/462583371.db2.gz	JHMSCEYPWRTVIF-UHFFFAOYSA-N	-1	0	346.202	2.400	40	30		EEEBRM