smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1	ZINC000833344874	601838973	/nfs/dbraw/zinc/83/89/73/601838973.db2.gz	FXVWGRDIOBSDFM-UHFFFAOYSA-N	-3	1	336.351	-0.924	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cc(F)c(F)cc1F	ZINC000834203856	605393549	/nfs/dbraw/zinc/39/35/49/605393549.db2.gz	HOWMMTFIDQXRFP-UHFFFAOYSA-N	-2	1	327.240	-0.319	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(N2CCOC2=O)ccc1F	ZINC000834203422	605452393	/nfs/dbraw/zinc/45/23/93/605452393.db2.gz	PYRSDBGFTHGQIW-UHFFFAOYSA-N	-2	1	340.267	-0.189	20	50		EBGDML
O=C([O-])Nc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)c([O-])c1	ZINC000834257498	605653142	/nfs/dbraw/zinc/65/31/42/605653142.db2.gz	NDSZACXZYKXWTG-JTQLQIEISA-N	-2	1	325.277	-0.342	20	50		EBGDML
COC(=O)CCN(CC(=O)[O-])CC(=O)N[N-]C(=O)c1cccs1	ZINC001593841404	955367748	/nfs/dbraw/zinc/36/77/48/955367748.db2.gz	XZLALGUZIUMNGX-UHFFFAOYSA-N	-2	1	343.361	-0.541	20	50		EBGDML
O=C([O-])C[C@H]1COCCN1CC(=O)N[N-]C(=O)c1cccs1	ZINC000316997829	964084746	/nfs/dbraw/zinc/08/47/46/964084746.db2.gz	LQAJFIBBKXGJSG-VIFPVBQESA-N	-2	1	327.362	-0.315	20	50		EBGDML
O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1	ZINC000833118183	601841484	/nfs/dbraw/zinc/84/14/84/601841484.db2.gz	MIXYCWXHPWCZMG-UHFFFAOYSA-N	-3	1	342.358	-0.212	20	50		EBGDML
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])c1C	ZINC000833907205	605391233	/nfs/dbraw/zinc/39/12/33/605391233.db2.gz	CLCPJVJZYOOIRE-UHFFFAOYSA-N	-3	1	346.321	-0.211	20	50		EBGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])s1	ZINC000833880325	605391854	/nfs/dbraw/zinc/39/18/54/605391854.db2.gz	HIMDQXAOGLQWQA-UHFFFAOYSA-N	-3	1	337.335	-0.888	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000834203850	605393324	/nfs/dbraw/zinc/39/33/24/605393324.db2.gz	HHFVKQXPJSZLBR-UHFFFAOYSA-N	-3	1	336.257	-0.689	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])n[nH]1	ZINC000833898150	605776429	/nfs/dbraw/zinc/77/64/29/605776429.db2.gz	JHETVCHKIHDENL-VXNVDRBHSA-N	-2	1	325.325	-0.017	20	50		EBGDML
C[C@@H]1CN(CC(=O)N[N-]C(=O)c2cccs2)C[C@@H](C(=O)[O-])O1	ZINC001599865184	989237724	/nfs/dbraw/zinc/23/77/24/989237724.db2.gz	LYIVWATZAMDFQP-BDAKNGLRSA-N	-2	1	327.362	-0.317	20	50		EBGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-]	ZINC001598651015	994442710	/nfs/dbraw/zinc/44/27/10/994442710.db2.gz	UIRRIORZMOJOPW-UHFFFAOYSA-N	-3	1	331.306	-0.706	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000834204061	605394171	/nfs/dbraw/zinc/39/41/71/605394171.db2.gz	VSDSVYZGPLLWMZ-UHFFFAOYSA-N	-3	1	347.740	-0.435	20	50		EBGDML
O=C([O-])NCC(=O)NCC(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834198649	605398500	/nfs/dbraw/zinc/39/85/00/605398500.db2.gz	LPPBWYGZBLZNFX-UHFFFAOYSA-N	-2	1	344.711	-0.810	20	50		EBGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC000737543243	978415567	/nfs/dbraw/zinc/41/55/67/978415567.db2.gz	NFZUQWOGEHMYDB-UHFFFAOYSA-N	-3	1	337.335	-0.645	20	50		EBGDML
COC(=O)c1ccccc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC001599001804	998825701	/nfs/dbraw/zinc/82/57/01/998825701.db2.gz	HLTIQMLKUXOCME-UHFFFAOYSA-N	-3	1	331.306	-0.950	20	50		EBGDML
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1	ZINC000833295230	601862181	/nfs/dbraw/zinc/86/21/81/601862181.db2.gz	SJKQFRIKNUTIGE-UHFFFAOYSA-N	-3	1	347.324	-0.241	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000834203898	605389970	/nfs/dbraw/zinc/38/99/70/605389970.db2.gz	KOOCEBDBNUNTLK-UHFFFAOYSA-N	-4	1	335.269	-0.899	20	50		EBGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1Cl	ZINC000833734153	605600219	/nfs/dbraw/zinc/60/02/19/605600219.db2.gz	KUVPIUHDHLBWTD-UHFFFAOYSA-N	-3	1	337.741	-0.074	20	50		EBGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)c[nH]1	ZINC000751272302	978692059	/nfs/dbraw/zinc/69/20/59/978692059.db2.gz	OOAQQAMXUDHZMY-UHFFFAOYSA-N	-3	1	328.306	-0.001	20	50		EBGDML
COCCCNC(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000831696757	601838483	/nfs/dbraw/zinc/83/84/83/601838483.db2.gz	KXZDVAASHRJJKK-UHFFFAOYSA-N	-3	1	338.367	-0.630	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)C[C@H]2CSCCN2C(=O)[O-])n[nH]1	ZINC000829956135	605811348	/nfs/dbraw/zinc/81/13/48/605811348.db2.gz	BNGHQMNHJGQHEE-QMMMGPOBSA-N	-2	1	327.366	-0.035	20	50		EBGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)c(F)c1	ZINC000266378137	962756369	/nfs/dbraw/zinc/75/63/69/962756369.db2.gz	AHHPPPHLGUBRKZ-UHFFFAOYSA-N	-3	1	347.324	-0.241	20	50		EBGDML
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001598865110	996703528	/nfs/dbraw/zinc/70/35/28/996703528.db2.gz	QZYIFINTHILDHS-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NNC(=O)CNC(=O)[O-]	ZINC000833912695	605455378	/nfs/dbraw/zinc/45/53/78/605455378.db2.gz	NRHSEOMHRYKHSM-UHFFFAOYSA-N	-2	1	325.325	-0.183	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])n[nH]1	ZINC000833898143	605775898	/nfs/dbraw/zinc/77/58/98/605775898.db2.gz	JHETVCHKIHDENL-APPZFPTMSA-N	-2	1	325.325	-0.017	20	50		EBGDML
N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-])cn1	ZINC000833976674	605801272	/nfs/dbraw/zinc/80/12/72/605801272.db2.gz	KKLZMJCHXRXBNM-UHFFFAOYSA-N	-3	1	327.322	-0.689	20	50		EBGDML
O=C([O-])[C@@H]1CC(C(=O)N[N-]C(=O)c2cc[nH]n2)=NN1c1ccccc1	ZINC001594779753	953619151	/nfs/dbraw/zinc/61/91/51/953619151.db2.gz	DXMOXIUYWNSSSG-LBPRGKRZSA-N	-2	1	342.315	-0.110	20	50		EBGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1	ZINC001598988235	998714049	/nfs/dbraw/zinc/71/40/49/998714049.db2.gz	GVDLJUVRTKZCIJ-UHFFFAOYSA-N	-3	1	331.306	-0.950	20	50		EBGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c(C)c1F	ZINC000833734259	605263571	/nfs/dbraw/zinc/26/35/71/605263571.db2.gz	RNRLDMPUESOADG-UHFFFAOYSA-N	-3	1	335.313	-0.280	20	50		EBGDML
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1	ZINC000833715947	605599513	/nfs/dbraw/zinc/59/95/13/605599513.db2.gz	JIGZGHTXXDQZCW-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
NC(=O)C[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833981430	605761588	/nfs/dbraw/zinc/76/15/88/605761588.db2.gz	FAQMZWIXBHYIHD-MRVPVSSYSA-N	-2	1	346.702	-0.248	20	50		EBGDML
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000779844048	978784666	/nfs/dbraw/zinc/78/46/66/978784666.db2.gz	FSHPKXLLUIOGOJ-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
COc1cc(C)[n-]c(=NNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1	ZINC001599394544	997101228	/nfs/dbraw/zinc/10/12/28/997101228.db2.gz	OLEOLVMTLVVMBX-PSASIEDQSA-N	-2	1	325.325	-0.091	20	50		EBGDML
CSc1nc(=O)[n-]c(C)c1C(=O)NNC(=O)NCCNC(=O)[O-]	ZINC000829777610	603492370	/nfs/dbraw/zinc/49/23/70/603492370.db2.gz	HUHYKYDEFDMMGQ-UHFFFAOYSA-N	-2	1	344.353	-0.576	20	50		EBGDML
CCC(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820837294	945565531	/nfs/dbraw/zinc/56/55/31/945565531.db2.gz	HUVIWUWWCOAINX-UHFFFAOYSA-N	-2	1	341.309	-0.506	20	50		EBGDML
Cc1onc(CC(=O)N[N-]C(=O)c2ccccn2)c1-c1nn[n-]n1	ZINC000826348589	948078289	/nfs/dbraw/zinc/07/82/89/948078289.db2.gz	UNWJUCGYKWRCQY-UHFFFAOYSA-N	-2	1	328.292	-0.438	20	50		EBGDML
CC[C@](COC)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000328501591	971484122	/nfs/dbraw/zinc/48/41/22/971484122.db2.gz	UWTZBAVXDXRSOW-CYBMUJFWSA-N	-2	1	329.378	-0.022	20	50		EBGDML
COc1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC001599579552	998504855	/nfs/dbraw/zinc/50/48/55/998504855.db2.gz	JDYNEHHPCGDDIQ-UHFFFAOYSA-N	-3	1	337.741	-0.074	20	50		EBGDML
COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000831696982	601232732	/nfs/dbraw/zinc/23/27/32/601232732.db2.gz	SNYCOSQQUSNWSQ-UHFFFAOYSA-N	-3	1	335.338	-0.185	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000834203830	605392636	/nfs/dbraw/zinc/39/26/36/605392636.db2.gz	GBVVUWVYICPRPH-UHFFFAOYSA-N	-2	1	327.240	-0.319	20	50		EBGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001598651383	994448889	/nfs/dbraw/zinc/44/88/89/994448889.db2.gz	WLXJPAWQBKXABJ-UHFFFAOYSA-N	-3	1	331.306	-0.706	20	50		EBGDML
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NNC(=O)NCCNC(=O)[O-]	ZINC000830709444	603492920	/nfs/dbraw/zinc/49/29/20/603492920.db2.gz	JUSLHSQZWNKDKA-UHFFFAOYSA-N	-2	1	340.340	-0.174	20	50		EBGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833657487	605328134	/nfs/dbraw/zinc/32/81/34/605328134.db2.gz	PRFSUFGSXBMFOD-UHFFFAOYSA-N	-3	1	332.294	-0.195	20	50		EBGDML
N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc1Cl	ZINC000833977540	605390872	/nfs/dbraw/zinc/39/08/72/605390872.db2.gz	STHADKRYQNAZIB-UHFFFAOYSA-N	-3	1	332.725	-0.211	20	50		EBGDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-]	ZINC000833907587	605391280	/nfs/dbraw/zinc/39/12/80/605391280.db2.gz	NGLCELNBYQXHLT-UHFFFAOYSA-N	-3	1	332.294	-0.520	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cccc2nsnc21	ZINC000834204107	605395883	/nfs/dbraw/zinc/39/58/83/605395883.db2.gz	ZPDROXVADONZSX-UHFFFAOYSA-N	-3	1	331.335	-0.732	20	50		EBGDML
COc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c(F)c1	ZINC000833728611	605599575	/nfs/dbraw/zinc/59/95/75/605599575.db2.gz	GTFGHWYLABLWCX-UHFFFAOYSA-N	-3	1	339.276	-0.450	20	50		EBGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)ccc1F	ZINC000299422697	962937337	/nfs/dbraw/zinc/93/73/37/962937337.db2.gz	IGHUPKAWNYAMEO-UHFFFAOYSA-N	-3	1	347.324	-0.241	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000834203794	605392508	/nfs/dbraw/zinc/39/25/08/605392508.db2.gz	BVGMLDOCPSOZAP-UHFFFAOYSA-N	-3	1	336.257	-0.689	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000834203965	605394129	/nfs/dbraw/zinc/39/41/29/605394129.db2.gz	OUGFRZHYBCFVHA-UHFFFAOYSA-N	-3	1	331.306	-0.965	20	50		EBGDML
O=C([O-])Nc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)c([O-])c1	ZINC000834257500	605653235	/nfs/dbraw/zinc/65/32/35/605653235.db2.gz	NDSZACXZYKXWTG-SNVBAGLBSA-N	-2	1	325.277	-0.342	20	50		EBGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-])o1	ZINC000833880640	605802833	/nfs/dbraw/zinc/80/28/33/605802833.db2.gz	KXRZQKVTVZSQSW-UHFFFAOYSA-N	-3	1	349.321	-0.577	20	50		EBGDML
CCC(=O)[N-][N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000820836470	945565485	/nfs/dbraw/zinc/56/54/85/945565485.db2.gz	ANJNLTNITGSINO-UHFFFAOYSA-N	-2	1	332.292	-0.136	20	50		EBGDML
COc1ccccc1-c1cc(C(=O)[N-]NC(=O)COCC(=O)[O-])n[nH]1	ZINC001594136251	958709273	/nfs/dbraw/zinc/70/92/73/958709273.db2.gz	NCQDPFDLBXBDSP-UHFFFAOYSA-N	-2	1	348.315	-0.053	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1c(Cl)ccnc1Cl	ZINC000834203994	605394841	/nfs/dbraw/zinc/39/48/41/605394841.db2.gz	QIKJGPZUOOGMAA-UHFFFAOYSA-N	-2	1	343.148	-0.035	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccccc1OC(F)F	ZINC000834204106	605395364	/nfs/dbraw/zinc/39/53/64/605395364.db2.gz	ZOKYXZCIXJWVQV-UHFFFAOYSA-N	-3	1	339.276	-0.135	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n[nH]1	ZINC000829956880	605412219	/nfs/dbraw/zinc/41/22/19/605412219.db2.gz	OZRIYJFDSOAXIO-SECBINFHSA-N	-2	1	325.325	-0.362	20	50		EBGDML
COC(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1	ZINC000833716888	605599359	/nfs/dbraw/zinc/59/93/59/605599359.db2.gz	RWHBNOPHSJLXFI-UHFFFAOYSA-N	-3	1	331.306	-0.950	20	50		EBGDML
C[C@H]1CN(CCC(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)C[C@H](C)O1	ZINC000833623249	605867989	/nfs/dbraw/zinc/86/79/89/605867989.db2.gz	RWGKPRXPVZCGKB-IUCAKERBSA-N	-2	1	340.336	-0.367	20	50		EBGDML
O=C([O-])C1(C(=O)NN=c2ncc(F)c[n-]2)CCS(=O)(=O)CC1	ZINC001605935718	972877159	/nfs/dbraw/zinc/87/71/59/972877159.db2.gz	RDIYFLPKEAIGDA-UHFFFAOYSA-N	-2	1	332.313	-0.662	20	50		EBGDML
C[C@H](O)CN(C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC001593456509	995359350	/nfs/dbraw/zinc/35/93/50/995359350.db2.gz	HWUDPUFWQSNUEX-JTQLQIEISA-N	-2	1	348.359	-0.250	20	50		EBGDML
C[C@@H](O)CN(C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC001593456510	995359479	/nfs/dbraw/zinc/35/94/79/995359479.db2.gz	HWUDPUFWQSNUEX-SNVBAGLBSA-N	-2	1	348.359	-0.250	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000834203365	605452539	/nfs/dbraw/zinc/45/25/39/605452539.db2.gz	OOIBVANAKGYWOD-UHFFFAOYSA-N	-2	1	340.248	-0.605	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])n[nH]1	ZINC000833898146	605776394	/nfs/dbraw/zinc/77/63/94/605776394.db2.gz	JHETVCHKIHDENL-CBAPKCEASA-N	-2	1	325.325	-0.017	20	50		EBGDML
Cc1oc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cc1C(=O)[O-]	ZINC000833027817	601232926	/nfs/dbraw/zinc/23/29/26/601232926.db2.gz	XXRSZYCHGWKZQT-UHFFFAOYSA-N	-3	1	333.322	-0.479	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n[nH]1	ZINC000829956881	605412032	/nfs/dbraw/zinc/41/20/32/605412032.db2.gz	OZRIYJFDSOAXIO-VIFPVBQESA-N	-2	1	325.325	-0.362	20	50		EBGDML
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)c1	ZINC000267230952	962764049	/nfs/dbraw/zinc/76/40/49/962764049.db2.gz	KXJZVBYJVRLTCP-UHFFFAOYSA-N	-3	1	347.324	-0.241	20	50		EBGDML
N#Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])ccc1Cl	ZINC000833973887	605391693	/nfs/dbraw/zinc/39/16/93/605391693.db2.gz	DPNADLIXFLTGOA-UHFFFAOYSA-N	-3	1	332.725	-0.211	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000834203851	605393190	/nfs/dbraw/zinc/39/31/90/605393190.db2.gz	HIIZDVMEEDIOIC-UHFFFAOYSA-N	-4	1	335.269	-0.899	20	50		EBGDML
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cccnc1OCC(F)F	ZINC000834242951	605623331	/nfs/dbraw/zinc/62/33/31/605623331.db2.gz	CNFNCXRXHCSOSP-UHFFFAOYSA-N	-2	1	347.278	-0.063	20	50		EBGDML
O=C([O-])NCCCC(=O)NNC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000834231464	605814673	/nfs/dbraw/zinc/81/46/73/605814673.db2.gz	IPKGFDVNWCVQSZ-UHFFFAOYSA-N	-2	1	333.304	-0.268	20	50		EBGDML
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC000736848694	978361864	/nfs/dbraw/zinc/36/18/64/978361864.db2.gz	WAYFNJQDNLARBQ-UHFFFAOYSA-N	-3	1	336.347	-0.048	20	50		EBGDML
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1	ZINC000740146814	978670815	/nfs/dbraw/zinc/67/08/15/978670815.db2.gz	VWPDAKRCEQHQET-UHFFFAOYSA-N	-3	1	347.324	-0.241	20	50		EBGDML
COc1cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cnc1Cl	ZINC001599461518	998280748	/nfs/dbraw/zinc/28/07/48/998280748.db2.gz	VQXFOZJXAWMOBH-UHFFFAOYSA-N	-3	1	338.729	-0.679	20	50		EBGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000833734335	605600410	/nfs/dbraw/zinc/60/04/10/605600410.db2.gz	XSAVZCNEFGEMET-UHFFFAOYSA-N	-3	1	348.293	-0.820	20	50		EBGDML
O=C([O-])NC1(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)CC1	ZINC000832187422	604763428	/nfs/dbraw/zinc/76/34/28/604763428.db2.gz	ZCKRPSYGBIOHSD-UHFFFAOYSA-N	-2	1	327.318	-0.148	20	50		EBGDML
Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000833900807	605391965	/nfs/dbraw/zinc/39/19/65/605391965.db2.gz	BRHKOUBBLLXKRC-UHFFFAOYSA-N	-3	1	332.294	-0.520	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cccc2c1OCCO2	ZINC000834203871	605392575	/nfs/dbraw/zinc/39/25/75/605392575.db2.gz	IQQJJFCIXBTZEP-UHFFFAOYSA-N	-3	1	331.306	-0.965	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000834203886	605392858	/nfs/dbraw/zinc/39/28/58/605392858.db2.gz	JRYUMYWUCCROSV-UHFFFAOYSA-N	-3	1	336.257	-0.689	20	50		EBGDML
N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])c(Cl)c1	ZINC000833976800	605751519	/nfs/dbraw/zinc/75/15/19/605751519.db2.gz	LUSSVLMDQXOPHV-UHFFFAOYSA-N	-3	1	332.725	-0.211	20	50		EBGDML
N#Cc1cc(F)c(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])c(F)c1	ZINC000833975398	605391803	/nfs/dbraw/zinc/39/18/03/605391803.db2.gz	XDNNHQUFDJZEFI-UHFFFAOYSA-N	-2	1	334.260	-0.586	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000834203889	605392490	/nfs/dbraw/zinc/39/24/90/605392490.db2.gz	JWJOKNYQEAGMQF-UHFFFAOYSA-N	-2	1	327.240	-0.319	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000834204052	605944012	/nfs/dbraw/zinc/94/40/12/605944012.db2.gz	URCMMAZYNRPOAZ-UHFFFAOYSA-N	-3	1	342.255	-0.323	20	50		EBGDML
Cc1noc2ncc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc12	ZINC000833933898	605391058	/nfs/dbraw/zinc/39/10/58/605391058.db2.gz	RUKNWDIFDPKYPF-UHFFFAOYSA-N	-3	1	329.294	-0.892	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])n[nH]1	ZINC000833898148	605776303	/nfs/dbraw/zinc/77/63/03/605776303.db2.gz	JHETVCHKIHDENL-IONNQARKSA-N	-2	1	325.325	-0.017	20	50		EBGDML
Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1	ZINC000822226189	946005394	/nfs/dbraw/zinc/00/53/94/946005394.db2.gz	GWMZNFFPKLEPQO-UHFFFAOYSA-N	-2	1	349.332	-0.214	20	50		EBGDML
CC[C@@](COC)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000328501592	971483640	/nfs/dbraw/zinc/48/36/40/971483640.db2.gz	UWTZBAVXDXRSOW-ZDUSSCGKSA-N	-2	1	329.378	-0.022	20	50		EBGDML
O=C([O-])C[C@H]1CN(CC(=O)N[N-]C(=O)c2cccs2)CCO1	ZINC000316897296	964069223	/nfs/dbraw/zinc/06/92/23/964069223.db2.gz	XDUQYGOGGIKOGV-VIFPVBQESA-N	-2	1	327.362	-0.315	20	50		EBGDML
O=C([O-])C[C@@H]1COCCN1CC(=O)N[N-]C(=O)c1cccs1	ZINC000316997827	964085223	/nfs/dbraw/zinc/08/52/23/964085223.db2.gz	LQAJFIBBKXGJSG-SECBINFHSA-N	-2	1	327.362	-0.315	20	50		EBGDML
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC000736848252	978362007	/nfs/dbraw/zinc/36/20/07/978362007.db2.gz	SGDNWJZGKWDQMI-UHFFFAOYSA-N	-3	1	336.347	-0.048	20	50		EBGDML
O=C(C=C1CN(C(=O)[O-])C1)OCC(=O)N[N-]C(=O)c1cccs1	ZINC000834008354	605313798	/nfs/dbraw/zinc/31/37/98/605313798.db2.gz	HKXCALKEVVJMFK-UHFFFAOYSA-N	-2	1	339.329	-0.028	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n[nH]1	ZINC000829956669	605411974	/nfs/dbraw/zinc/41/19/74/605411974.db2.gz	KORMJKJMKJSSKS-VIFPVBQESA-N	-2	1	325.325	-0.362	20	50		EBGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cc1F	ZINC000269079346	962772075	/nfs/dbraw/zinc/77/20/75/962772075.db2.gz	JSMBMJSIQNSUDN-UHFFFAOYSA-N	-3	1	347.324	-0.241	20	50		EBGDML
O=C([O-])C[C@@H]1CN(CC(=O)N[N-]C(=O)c2cccs2)CCO1	ZINC000316897293	964069870	/nfs/dbraw/zinc/06/98/70/964069870.db2.gz	XDUQYGOGGIKOGV-SECBINFHSA-N	-2	1	327.362	-0.315	20	50		EBGDML
O=C([O-])NCC(=O)NCC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000834197901	605386501	/nfs/dbraw/zinc/38/65/01/605386501.db2.gz	CXOAULKFFKGHLJ-UHFFFAOYSA-N	-2	1	346.702	-0.376	20	50		EBGDML
Cn1cc(C(=O)[N-]NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC000739022593	978613217	/nfs/dbraw/zinc/61/32/17/978613217.db2.gz	MECUQPVHKCQIMR-UHFFFAOYSA-N	-2	1	340.317	-0.553	20	50		EBGDML
CCOC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1	ZINC001596725983	984980888	/nfs/dbraw/zinc/98/08/88/984980888.db2.gz	FQAIXORYXVBPOA-UHFFFAOYSA-N	-3	1	345.333	-0.560	20	50		EBGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC000736750728	944881962	/nfs/dbraw/zinc/88/19/62/944881962.db2.gz	AILIXNQXTSORAD-UHFFFAOYSA-N	-2	1	329.317	-0.530	20	50		EBGDML
Cc1n[nH]c(C(F)(F)F)c1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000829834107	603941109	/nfs/dbraw/zinc/94/11/09/603941109.db2.gz	PTBDWMSTJGUJEK-UHFFFAOYSA-N	-2	1	338.246	-0.051	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000834203899	605392394	/nfs/dbraw/zinc/39/23/94/605392394.db2.gz	KQZIDCIUKRIJKZ-UHFFFAOYSA-N	-4	1	335.269	-0.899	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000834204081	605393830	/nfs/dbraw/zinc/39/38/30/605393830.db2.gz	WZYCXUVNHOPDAS-UHFFFAOYSA-N	-4	1	335.269	-0.899	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(N2CCNC2=O)ccc1F	ZINC000834202918	605474984	/nfs/dbraw/zinc/47/49/84/605474984.db2.gz	BNDSJNMAWQZWKI-UHFFFAOYSA-N	-2	1	339.283	-0.616	20	50		EBGDML
CNC(=O)[N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000826067549	609526100	/nfs/dbraw/zinc/52/61/00/609526100.db2.gz	IWYHWPPLFUCMIH-UHFFFAOYSA-N	-2	1	331.745	-0.358	20	50		EBGDML
CNC(=O)NNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC001598650922	994441031	/nfs/dbraw/zinc/44/10/31/994441031.db2.gz	QYKVUJDXQYCEKM-UHFFFAOYSA-N	-2	1	333.304	-0.634	20	50		EBGDML
NC(=O)c1ccc(=NNC(=O)c2ccc(OCC(=O)[O-])cc2)[n-]n1	ZINC000833086834	601817872	/nfs/dbraw/zinc/81/78/72/601817872.db2.gz	UZYRPQCTTFVHQZ-UHFFFAOYSA-N	-2	1	331.288	-0.204	20	50		EBGDML
COCCN(CC(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)C(=O)[O-]	ZINC000828975859	605287841	/nfs/dbraw/zinc/28/78/41/605287841.db2.gz	GIYUWQPOMORKJU-UHFFFAOYSA-N	-2	1	339.312	-0.862	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000834203824	605393443	/nfs/dbraw/zinc/39/34/43/605393443.db2.gz	FNPADDXACVAAIM-UHFFFAOYSA-N	-4	1	335.269	-0.899	20	50		EBGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC000737543897	978416308	/nfs/dbraw/zinc/41/63/08/978416308.db2.gz	VCJWPYFVEAZDEU-UHFFFAOYSA-N	-3	1	337.335	-0.645	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000833897499	605776375	/nfs/dbraw/zinc/77/63/75/605776375.db2.gz	BHAQDIMXZUIYAN-UHFFFAOYSA-N	-2	1	338.368	-0.447	20	50		EBGDML
C[C@@H]1CN(CCC(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)C[C@@H](C)O1	ZINC000833623251	605868142	/nfs/dbraw/zinc/86/81/42/605868142.db2.gz	RWGKPRXPVZCGKB-RKDXNWHRSA-N	-2	1	340.336	-0.367	20	50		EBGDML
COC(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821664726	945785657	/nfs/dbraw/zinc/78/56/57/945785657.db2.gz	GSCCIJNWNLOUJS-UHFFFAOYSA-N	-2	1	343.281	-0.676	20	50		EBGDML
COC(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821664726	945785660	/nfs/dbraw/zinc/78/56/60/945785660.db2.gz	GSCCIJNWNLOUJS-UHFFFAOYSA-N	-2	1	343.281	-0.676	20	50		EBGDML
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000779847055	978784725	/nfs/dbraw/zinc/78/47/25/978784725.db2.gz	RSXZMQIXMSVLHN-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
COC(=O)CN(CC(=O)[O-])CC(=O)N[N-]C(=O)c1cccs1	ZINC001598863192	996692291	/nfs/dbraw/zinc/69/22/91/996692291.db2.gz	GUCCZPJYCLNIOK-UHFFFAOYSA-N	-2	1	329.334	-0.931	20	50		EBGDML
Cn1cc(-c2nnn[n-]2)cc1C(=O)NN=c1[n-]cnc2[nH]cnc21	ZINC000822645612	946145089	/nfs/dbraw/zinc/14/50/89/946145089.db2.gz	HJPXTIMJZAWOEC-UHFFFAOYSA-N	-2	1	325.296	-0.372	20	50		EBGDML
O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1	ZINC000833118422	601841717	/nfs/dbraw/zinc/84/17/17/601841717.db2.gz	NOAUYONZSGUGAO-UHFFFAOYSA-N	-3	1	342.358	-0.212	20	50		EBGDML
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC000833715976	605599612	/nfs/dbraw/zinc/59/96/12/605599612.db2.gz	KNYMONCBNFBSPI-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
COc1cc[n-]c(=NNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)n1	ZINC001599722585	991564469	/nfs/dbraw/zinc/56/44/69/991564469.db2.gz	MUGYEXCIUWGPED-UHFFFAOYSA-N	-2	1	334.292	-0.396	20	50		EBGDML
CN(CCCNC(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)C(=O)[O-]	ZINC000828293788	605226080	/nfs/dbraw/zinc/22/60/80/605226080.db2.gz	RDRRWGJRCDPGGE-UHFFFAOYSA-N	-2	1	338.328	-0.305	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(N2CCCC2=O)ccc1F	ZINC000834203478	605449521	/nfs/dbraw/zinc/44/95/21/605449521.db2.gz	RAHACZJVSSBEJW-UHFFFAOYSA-N	-2	1	338.295	-0.019	20	50		EBGDML
NC(=O)C[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833981431	605761470	/nfs/dbraw/zinc/76/14/70/605761470.db2.gz	FAQMZWIXBHYIHD-QMMMGPOBSA-N	-2	1	346.702	-0.248	20	50		EBGDML
CCN(CCNC(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)C(=O)[O-]	ZINC000827145669	605229864	/nfs/dbraw/zinc/22/98/64/605229864.db2.gz	AAZAXHKEWNXPER-UHFFFAOYSA-N	-2	1	338.328	-0.305	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000834204073	605394334	/nfs/dbraw/zinc/39/43/34/605394334.db2.gz	WMRWCWXSENENMZ-UHFFFAOYSA-N	-2	1	327.240	-0.319	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n[nH]1	ZINC000829956668	605412260	/nfs/dbraw/zinc/41/22/60/605412260.db2.gz	KORMJKJMKJSSKS-SECBINFHSA-N	-2	1	325.325	-0.362	20	50		EBGDML
Cc1cc(C(=O)[N-]NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n[nH]1	ZINC000829956134	605811357	/nfs/dbraw/zinc/81/13/57/605811357.db2.gz	BNGHQMNHJGQHEE-MRVPVSSYSA-N	-2	1	327.366	-0.035	20	50		EBGDML
O=C([O-])[C@H]1CC(C(=O)N[N-]C(=O)c2cc[nH]n2)=NN1c1ccccc1	ZINC001594779752	953619448	/nfs/dbraw/zinc/61/94/48/953619448.db2.gz	DXMOXIUYWNSSSG-GFCCVEGCSA-N	-2	1	342.315	-0.110	20	50		EBGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001594057963	958055960	/nfs/dbraw/zinc/05/59/60/958055960.db2.gz	XHCPEXRGGVCIKC-SECBINFHSA-N	-2	1	337.336	-0.440	20	50		EBGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000834203943	605394809	/nfs/dbraw/zinc/39/48/09/605394809.db2.gz	NSTMAAAAXALNIE-UHFFFAOYSA-N	-3	1	330.278	-0.890	20	50		EBGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001594057965	958055569	/nfs/dbraw/zinc/05/55/69/958055569.db2.gz	XHCPEXRGGVCIKC-VIFPVBQESA-N	-2	1	337.336	-0.440	20	50		EBGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cs1	ZINC000299414883	962937523	/nfs/dbraw/zinc/93/75/23/962937523.db2.gz	FJNBRWRBTJFIHH-UHFFFAOYSA-N	-3	1	335.363	-0.319	20	50		EBGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)o1	ZINC000739348523	978631282	/nfs/dbraw/zinc/63/12/82/978631282.db2.gz	AJWQPWRTJIZXSV-UHFFFAOYSA-N	-3	1	325.302	-0.075	20	50		EBGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)o1	ZINC000739350102	978631852	/nfs/dbraw/zinc/63/18/52/978631852.db2.gz	RYKDGFBBWJLJAF-UHFFFAOYSA-N	-3	1	325.302	-0.075	20	50		EBGDML
COc1cc(C)[n-]c(=NNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1	ZINC000829101869	603965852	/nfs/dbraw/zinc/96/58/52/603965852.db2.gz	NDSDDLQCBLUVPF-UHFFFAOYSA-N	-2	1	338.324	-0.941	20	50		EBGDML
C[C@@H]1CN(CCC(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)C[C@H](C)O1	ZINC000833623247	605867778	/nfs/dbraw/zinc/86/77/78/605867778.db2.gz	RWGKPRXPVZCGKB-DTORHVGOSA-N	-2	1	340.336	-0.367	20	50		EBGDML
COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])ccc1F	ZINC001598955639	998236139	/nfs/dbraw/zinc/23/61/39/998236139.db2.gz	KHSGJPWLJDPYAP-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c(F)c1	ZINC001598988095	998712917	/nfs/dbraw/zinc/71/29/17/998712917.db2.gz	BJVNRCHDZVBWKH-UHFFFAOYSA-N	-3	1	349.296	-0.811	20	50		EBGDML
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)nc1Cl	ZINC000834203945	605393778	/nfs/dbraw/zinc/39/37/78/605393778.db2.gz	NUWQQZHBUWMOSE-UHFFFAOYSA-N	-2	1	343.148	-0.035	20	50		EBGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000833734128	605600694	/nfs/dbraw/zinc/60/06/94/605600694.db2.gz	IRCPQEORHKNWMW-UHFFFAOYSA-N	-3	1	348.293	-0.820	20	50		EBGDML
Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000833744527	605600893	/nfs/dbraw/zinc/60/08/93/605600893.db2.gz	GXBLTEUVMMWNST-UHFFFAOYSA-N	-4	1	349.296	-0.591	20	50		EBGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000825845062	609528190	/nfs/dbraw/zinc/52/81/90/609528190.db2.gz	AHFMFCNSCSLHOI-UHFFFAOYSA-N	-2	1	345.772	-0.015	20	50		EBGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC	ZINC001598650979	994442068	/nfs/dbraw/zinc/44/20/68/994442068.db2.gz	SLVKZBSFJLVCCT-UHFFFAOYSA-N	-3	1	331.306	-0.706	20	50		EBGDML