smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(N=Cc2coc3cc(I)ccc3c2=O)[nH]c(=S)[n-]1	ZINC000013576600	527474540	/nfs/dbraw/zinc/47/45/40/527474540.db2.gz	QALRQUHMSVCAMZ-FZSIALSZSA-N	-1	1	425.207	2.894	50	30		IFEAMM
O=C(CSc1nnc(NN=Cc2cc(Br)ccc2O)[n-]1)NC1CCCC1	ZINC000020435671	557016561	/nfs/dbraw/zinc/01/65/61/557016561.db2.gz	XRAVUUJINNFBBC-QGMBQPNBSA-N	-1	1	439.339	2.870	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(Br)c1)CC(=O)N2	ZINC000046074432	557030556	/nfs/dbraw/zinc/03/05/56/557030556.db2.gz	HHKGPOYUJFPVIA-LLVKDONJSA-N	-1	1	435.303	2.875	50	30		IFEAMM
COC(=O)C[C@@H](c1ccc(O)cc1)c1c2c(ccc1[O-])C(=O)/C(=C/N1CCOCC1)O2	ZINC000604404891	557248018	/nfs/dbraw/zinc/24/80/18/557248018.db2.gz	ILZSIIXNBDTFOB-NFBGKYEXSA-N	-1	1	425.437	2.542	50	30		IFEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000102598818	557357577	/nfs/dbraw/zinc/35/75/77/557357577.db2.gz	QUFNSMQBOQLMJS-NHFXJNLRSA-N	-1	1	425.437	2.990	50	30		IFEAMM
C=CCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OC	ZINC000002996346	557685775	/nfs/dbraw/zinc/68/57/75/557685775.db2.gz	TXMITJIXZIMBOC-XYOKQWHBSA-N	-1	1	437.315	2.835	50	30		IFEAMM
C=CCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O	ZINC000006296666	562946614	/nfs/dbraw/zinc/94/66/14/562946614.db2.gz	ZSSRLIZQGUAPPM-UHFFFAOYSA-N	-1	1	441.509	2.668	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(=O)OC)cc1)C(C(=O)OC)=C(C)N2	ZINC000008884072	568816677	/nfs/dbraw/zinc/81/66/77/568816677.db2.gz	BMTRXELWISAPCL-OAHLLOKOSA-N	-1	1	427.482	2.839	50	30		IFEAMM
CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020309931	569359796	/nfs/dbraw/zinc/35/97/96/569359796.db2.gz	JBKVIWNGTOHPHG-OAQYLSRUSA-N	-1	1	440.496	2.939	50	30		IFEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000009271547	569517837	/nfs/dbraw/zinc/51/78/37/569517837.db2.gz	VSYKHXMZQHWIBU-GOBJLOIFSA-N	-1	1	425.437	2.990	50	30		IFEAMM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000009310291	569521699	/nfs/dbraw/zinc/52/16/99/569521699.db2.gz	OXPVIXCGINDCEZ-UHFFFAOYSA-N	-1	1	430.052	2.526	50	30		IFEAMM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000009310291	569521700	/nfs/dbraw/zinc/52/17/00/569521700.db2.gz	OXPVIXCGINDCEZ-UHFFFAOYSA-N	-1	1	430.052	2.526	50	30		IFEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1	ZINC000021712993	518918687	/nfs/dbraw/zinc/91/86/87/518918687.db2.gz	AJNHXBGCENSBOZ-IBGZPJMESA-N	-1	1	427.526	2.703	50	30		IFEAMM
C=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1	ZINC000021706771	518929760	/nfs/dbraw/zinc/92/97/60/518929760.db2.gz	VNFLWWJEEBXHCH-KRWDZBQOSA-N	-1	1	445.516	2.781	50	30		IFEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1occc1C	ZINC000013131637	519204057	/nfs/dbraw/zinc/20/40/57/519204057.db2.gz	JUHKLIMYSPYTPX-UHFFFAOYSA-N	-1	1	427.442	2.989	50	30		IFEAMM
O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1	ZINC000021904657	527161310	/nfs/dbraw/zinc/16/13/10/527161310.db2.gz	FWZONRYMRVGMGW-UHFFFAOYSA-N	-1	1	433.555	2.837	50	30		IFEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(C)cc1	ZINC000016115892	556584061	/nfs/dbraw/zinc/58/40/61/556584061.db2.gz	KJMAMIQWUQSKNA-NMONLQQWSA-N	-1	1	427.482	2.979	50	30		IFEAMM
COC(=O)C[C@@H](c1cccc(O)c1)c1c2c(ccc1[O-])C(=O)/C(=C/N1CCOCC1)O2	ZINC000604406311	557239872	/nfs/dbraw/zinc/23/98/72/557239872.db2.gz	GVVSVYQWVZEKFI-NFBGKYEXSA-N	-1	1	425.437	2.542	50	30		IFEAMM
N#Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000103544567	557438638	/nfs/dbraw/zinc/43/86/38/557438638.db2.gz	FQMOLCNZCLNJKB-GMAHTHKFSA-N	-1	1	434.455	2.777	50	30		IFEAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000016154198	568871960	/nfs/dbraw/zinc/87/19/60/568871960.db2.gz	MUZXRNMJJDULMP-UHFFFAOYSA-N	-1	1	435.527	2.542	50	30		IFEAMM
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(c2ncccc2C#N)CC1	ZINC000036358465	569085015	/nfs/dbraw/zinc/08/50/15/569085015.db2.gz	HLAQGBKNXYGFAB-OAQYLSRUSA-N	-1	1	446.511	2.977	50	30		IFEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1	ZINC000021712991	518929781	/nfs/dbraw/zinc/92/97/81/518929781.db2.gz	AJNHXBGCENSBOZ-LJQANCHMSA-N	-1	1	427.526	2.703	50	30		IFEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000016309594	520554264	/nfs/dbraw/zinc/55/42/64/520554264.db2.gz	XZIGEBIQNZUPIY-UHFFFAOYSA-N	-1	1	434.434	2.867	50	30		IFEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000016309594	520554273	/nfs/dbraw/zinc/55/42/73/520554273.db2.gz	XZIGEBIQNZUPIY-UHFFFAOYSA-N	-1	1	434.434	2.867	50	30		IFEAMM
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1	ZINC000012972512	520805891	/nfs/dbraw/zinc/80/58/91/520805891.db2.gz	ILKDLUNHHPAQGU-UHFFFAOYSA-N	-1	1	447.561	2.721	50	30		IFEAMM
O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000013058301	527161037	/nfs/dbraw/zinc/16/10/37/527161037.db2.gz	VLNMCJGWQQPCLX-UHFFFAOYSA-N	-1	1	447.460	2.977	50	30		IFEAMM
NC(=O)Cn1cc(/C=N\[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc21	ZINC000032577596	556404556	/nfs/dbraw/zinc/40/45/56/556404556.db2.gz	LYRYZZOHURSEKA-WNFQYIGGSA-N	-1	1	425.297	2.746	50	30		IFEAMM
CN(CCC#N)S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CCCCCC3)c(=O)c2c1	ZINC000004396683	556416136	/nfs/dbraw/zinc/41/61/36/556416136.db2.gz	NNKSNOPKGLLSGL-UHFFFAOYSA-N	-1	1	430.530	2.515	50	30		IFEAMM
O=C(CSc1nnc(NN=Cc2cccc(Br)c2)[n-]1)Nc1nncs1	ZINC000020436766	557016532	/nfs/dbraw/zinc/01/65/32/557016532.db2.gz	VGTIMNDRSYNQSH-PJQLUOCWSA-N	-1	1	439.324	2.596	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1Br)CC(=O)N2	ZINC000046074429	557030695	/nfs/dbraw/zinc/03/06/95/557030695.db2.gz	NYWGZEVRTYUJOM-SECBINFHSA-N	-1	1	435.303	2.875	50	30		IFEAMM
Nc1nonc1C(=O)NCC/N=C/c1cc(Cc2ccccc2)cc(Br)c1[O-]	ZINC000100334618	557400258	/nfs/dbraw/zinc/40/02/58/557400258.db2.gz	FNTXZPIFHIHNPC-SSDVNMTOSA-N	-1	1	444.289	2.560	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)n[n-]c1=S	ZINC000024764111	568860799	/nfs/dbraw/zinc/86/07/99/568860799.db2.gz	LUENLZNKCDBPNM-UHFFFAOYSA-N	-1	1	435.556	2.830	50	30		IFEAMM
C=CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1	ZINC000021706795	518918625	/nfs/dbraw/zinc/91/86/25/518918625.db2.gz	FQPUJWYKUOTIIC-LJQANCHMSA-N	-1	1	441.553	2.950	50	30		IFEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000021712942	518929607	/nfs/dbraw/zinc/92/96/07/518929607.db2.gz	YGGIBQIPAXBJIP-HXUWFJFHSA-N	-1	1	427.526	2.703	50	30		IFEAMM
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1	ZINC000040288525	526475094	/nfs/dbraw/zinc/47/50/94/526475094.db2.gz	FVMMJZQATJLDGJ-HSZRJFAPSA-N	-1	1	448.479	2.742	50	30		IFEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(F)cc1	ZINC000016115443	556583898	/nfs/dbraw/zinc/58/38/98/556583898.db2.gz	MNRAJDCWFGYKIC-KQFRHJRUSA-N	-1	1	431.445	2.810	50	30		IFEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)NC1=O	ZINC000016115718	556584136	/nfs/dbraw/zinc/58/41/36/556584136.db2.gz	OYIMHYGADNRFBL-SBUZPKSBSA-N	-1	1	431.857	2.955	50	30		IFEAMM
COC(=O)c1ccc(C=NN=c2nc(NN=Cc3ccc(C(=O)OC)cc3)c(C)n[n-]2)cc1	ZINC000011990581	556678591	/nfs/dbraw/zinc/67/85/91/556678591.db2.gz	NHJODCWIYNPXIA-MPDMMBQKSA-N	-1	1	447.455	2.645	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2	ZINC000046074435	557030740	/nfs/dbraw/zinc/03/07/40/557030740.db2.gz	USPZACHAZYEORY-LLVKDONJSA-N	-1	1	435.303	2.875	50	30		IFEAMM
Cc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	ZINC000101355076	557275382	/nfs/dbraw/zinc/27/53/82/557275382.db2.gz	BPOXWWVYJUVECI-STZFKDTASA-N	-1	1	444.509	2.588	50	30		IFEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000100428045	557403107	/nfs/dbraw/zinc/40/31/07/557403107.db2.gz	PYRCWFPWOTZTKM-YDJIHCHBSA-N	-1	1	434.473	2.960	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)n[n-]c1=S	ZINC000026094734	568862518	/nfs/dbraw/zinc/86/25/18/568862518.db2.gz	CQXVYODACACWSN-UHFFFAOYSA-N	-1	1	443.558	2.658	50	30		IFEAMM
O=[N+]([O-])c1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1[O-]	ZINC000252636762	569208125	/nfs/dbraw/zinc/20/81/25/569208125.db2.gz	XMLLWWAAAKFNRA-UHFFFAOYSA-N	-1	1	426.481	2.912	50	30		IFEAMM
C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000072403629	525030458	/nfs/dbraw/zinc/03/04/58/525030458.db2.gz	JVVMZUCLBOKXHC-JTQLQIEISA-N	-1	1	445.833	2.985	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)n[n-]c1=S	ZINC000023041946	556986050	/nfs/dbraw/zinc/98/60/50/556986050.db2.gz	MXSUISXEEQLBTI-AWEZNQCLSA-N	-1	1	427.511	2.894	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1Br)CC(=O)N2	ZINC000046074427	557030734	/nfs/dbraw/zinc/03/07/34/557030734.db2.gz	NYWGZEVRTYUJOM-VIFPVBQESA-N	-1	1	435.303	2.875	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)n[n-]c1=S	ZINC000023041934	568859281	/nfs/dbraw/zinc/85/92/81/568859281.db2.gz	WDKDHMMVFLIMRT-UHFFFAOYSA-N	-1	1	442.570	2.861	50	30		IFEAMM
Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000065318856	569134548	/nfs/dbraw/zinc/13/45/48/569134548.db2.gz	ZMXYQORNXHHRKB-UHFFFAOYSA-N	-1	1	437.481	2.954	50	30		IFEAMM
Cn1c2nc(Oc3cccc(/C=N\[O-])c3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O	ZINC000020036199	569332776	/nfs/dbraw/zinc/33/27/76/569332776.db2.gz	NFZPIDXWXHMSOZ-KSEXSDGBSA-N	-1	1	439.859	2.736	50	30		IFEAMM
COc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008934874	569487954	/nfs/dbraw/zinc/48/79/54/569487954.db2.gz	WWQURKFEVQKVJS-FQEVSTJZSA-N	-1	1	441.436	2.765	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)n[n-]c1=S	ZINC000012910442	519193240	/nfs/dbraw/zinc/19/32/40/519193240.db2.gz	BZIJRIVLCCDITG-UHFFFAOYSA-N	-1	1	435.556	2.830	50	30		IFEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000102518499	522915824	/nfs/dbraw/zinc/91/58/24/522915824.db2.gz	HTYFEHCKEIHDCY-YDJIHCHBSA-N	-1	1	425.437	2.996	50	30		IFEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCC(=O)[O-])cc(OC)c1OC	ZINC000035170744	522955254	/nfs/dbraw/zinc/95/52/54/522955254.db2.gz	LBGMDFSGRRMHKF-IBGZPJMESA-N	-1	1	441.436	2.765	50	30		IFEAMM
N#C[C@H](C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1nc(=O)c2c(C3CC3)csc2[n-]1	ZINC000095455126	526506069	/nfs/dbraw/zinc/50/60/69/526506069.db2.gz	VRQXEGCUMKIUFB-NSHDSACASA-N	-1	1	427.873	2.860	50	30		IFEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(CCCN2CCOCC2)Cc2ccccc2)cc1	ZINC000016749708	556636834	/nfs/dbraw/zinc/63/68/34/556636834.db2.gz	SGIPKNZGDKHGPA-UHFFFAOYSA-N	-1	1	431.558	2.822	50	30		IFEAMM
Cc1ccc(S(=O)(=O)N=C([O-])N(CCCN2CCOCC2)Cc2ccccc2)cc1	ZINC000016749708	556636835	/nfs/dbraw/zinc/63/68/35/556636835.db2.gz	SGIPKNZGDKHGPA-UHFFFAOYSA-N	-1	1	431.558	2.822	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)n[n-]c1=S	ZINC000023041947	556986112	/nfs/dbraw/zinc/98/61/12/556986112.db2.gz	MXSUISXEEQLBTI-CQSZACIVSA-N	-1	1	427.511	2.894	50	30		IFEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)c1	ZINC000020310490	557007470	/nfs/dbraw/zinc/00/74/70/557007470.db2.gz	PWYQQGZUCISSIG-OAQYLSRUSA-N	-1	1	440.471	2.750	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(Br)c1)CC(=O)N2	ZINC000046074431	557030677	/nfs/dbraw/zinc/03/06/77/557030677.db2.gz	HHKGPOYUJFPVIA-NSHDSACASA-N	-1	1	435.303	2.875	50	30		IFEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)[N-]C1=S	ZINC000009260138	568818414	/nfs/dbraw/zinc/81/84/14/568818414.db2.gz	SXWUIXJNZLLYQX-MHWRWJLKSA-N	-1	1	440.481	2.824	50	30		IFEAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288660	568882032	/nfs/dbraw/zinc/88/20/32/568882032.db2.gz	XHOKHTIVHAJXQA-UDWIEESQSA-N	-1	1	444.516	2.834	50	30		IFEAMM
COC(=O)C[C@@H](c1ccc(OC)cc1)c1c2c(ccc1[O-])C(=O)/C(=C/N1CCOCC1)O2	ZINC000524731468	569126468	/nfs/dbraw/zinc/12/64/68/569126468.db2.gz	ZGLNIUIZMGVKCX-HJHGFDQJSA-N	-1	1	439.464	2.845	50	30		IFEAMM
Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020310469	569359971	/nfs/dbraw/zinc/35/99/71/569359971.db2.gz	FPROYGIAMMHISO-JOCHJYFZSA-N	-1	1	436.508	2.920	50	30		IFEAMM
CCOc1ccc(C=NNc2nc3c(c([O-])nc(=O)n3C)n2Cc2ccc(F)cc2)cc1	ZINC000254826185	569443727	/nfs/dbraw/zinc/44/37/27/569443727.db2.gz	ZDNIUXGEKCJCHN-UHFFFAOYSA-N	-1	1	436.447	2.868	50	30		IFEAMM
C=CCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1	ZINC000013352836	518883623	/nfs/dbraw/zinc/88/36/23/518883623.db2.gz	YSMHJCRQJCXTHX-UHFFFAOYSA-N	-1	1	445.516	2.781	50	30		IFEAMM
C=CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1	ZINC000021706766	518919541	/nfs/dbraw/zinc/91/95/41/518919541.db2.gz	VNFLWWJEEBXHCH-QGZVFWFLSA-N	-1	1	445.516	2.781	50	30		IFEAMM
O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1	ZINC000023243118	527160336	/nfs/dbraw/zinc/16/03/36/527160336.db2.gz	HUYDACNMNDWUJD-UHFFFAOYSA-N	-1	1	431.898	2.751	50	30		IFEAMM
O=S(=O)(N=C1CCCCCN1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000013041667	527161017	/nfs/dbraw/zinc/16/10/17/527161017.db2.gz	CWBBUVSGHBXWCO-UHFFFAOYSA-N	-1	1	425.507	2.877	50	30		IFEAMM
O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000072401852	527468553	/nfs/dbraw/zinc/46/85/53/527468553.db2.gz	BYUOMZVKPCZSGE-UHFFFAOYSA-N	-1	1	431.806	2.597	50	30		IFEAMM
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000102518492	557351049	/nfs/dbraw/zinc/35/10/49/557351049.db2.gz	HTYFEHCKEIHDCY-NHFXJNLRSA-N	-1	1	425.437	2.996	50	30		IFEAMM
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(c2ncccc2C#N)CC1	ZINC000036358464	569084974	/nfs/dbraw/zinc/08/49/74/569084974.db2.gz	HLAQGBKNXYGFAB-NRFANRHFSA-N	-1	1	446.511	2.977	50	30		IFEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020309672	569359848	/nfs/dbraw/zinc/35/98/48/569359848.db2.gz	WSGWRGPPXQQXAW-HXUWFJFHSA-N	-1	1	426.469	2.549	50	30		IFEAMM
COc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008934873	569487968	/nfs/dbraw/zinc/48/79/68/569487968.db2.gz	WWQURKFEVQKVJS-HXUWFJFHSA-N	-1	1	441.436	2.765	50	30		IFEAMM
COc1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2[O-])c(OC)c1	ZINC000009429547	569533720	/nfs/dbraw/zinc/53/37/20/569533720.db2.gz	ZOEANZGCEJBKMC-ONNFQVAWSA-N	-1	1	428.828	2.798	50	30		IFEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(=O)[N-]C1=S	ZINC000001153030	518827040	/nfs/dbraw/zinc/82/70/40/518827040.db2.gz	QIGDQLKBRVOXKJ-CPNJWEJPSA-N	-1	1	435.505	2.825	50	30		IFEAMM
C=CCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1	ZINC000013357117	518883685	/nfs/dbraw/zinc/88/36/85/518883685.db2.gz	QDCNGOQWJSFDRJ-UHFFFAOYSA-N	-1	1	445.516	2.781	50	30		IFEAMM
C=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1	ZINC000021706799	518930093	/nfs/dbraw/zinc/93/00/93/518930093.db2.gz	FQPUJWYKUOTIIC-IBGZPJMESA-N	-1	1	441.553	2.950	50	30		IFEAMM
COC(=O)c1cccc(C#Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)c1	ZINC000012561106	522190995	/nfs/dbraw/zinc/19/09/95/522190995.db2.gz	UDKZDAQVOAHUNB-UHFFFAOYSA-N	-1	1	447.472	2.843	50	30		IFEAMM
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OC(=O)c1ccc(C)cc1	ZINC000016115025	556583638	/nfs/dbraw/zinc/58/36/38/556583638.db2.gz	WUQVMQWRDRRRSB-CBVHTYNASA-N	-1	1	441.465	2.619	50	30		IFEAMM
COc1cc(CN=Nc2n[n-]c(SCC(=O)c3ccccc3)n2)c([N+](=O)[O-])cc1O	ZINC000020228007	557000944	/nfs/dbraw/zinc/00/09/44/557000944.db2.gz	MMZHNCCKSCVBRF-DJKKODMXSA-N	-1	1	428.430	2.848	50	30		IFEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c([O-])c1	ZINC000020309610	557007111	/nfs/dbraw/zinc/00/71/11/557007111.db2.gz	NRSISNHIAAGCQN-FQEVSTJZSA-N	-1	1	426.469	2.549	50	30		IFEAMM
O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(/[N-]S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000006147145	557145910	/nfs/dbraw/zinc/14/59/10/557145910.db2.gz	HQTGIULYGWXCRR-UHFFFAOYSA-N	-1	1	445.478	2.709	50	30		IFEAMM
N#Cc1ccccc1COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000001206169	568737096	/nfs/dbraw/zinc/73/70/96/568737096.db2.gz	GKEIWUPWTKEGFA-UHFFFAOYSA-N	-1	1	442.294	2.814	50	30		IFEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccoc1C	ZINC000003449011	568749698	/nfs/dbraw/zinc/74/96/98/568749698.db2.gz	YMHMMEXXBBYNES-UHFFFAOYSA-N	-1	1	427.442	2.989	50	30		IFEAMM
COc1ccccc1C(=O)N(Cc1ccc(C#N)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000064814027	568963780	/nfs/dbraw/zinc/96/37/80/568963780.db2.gz	PTPQAOMVNWHTBB-UHFFFAOYSA-N	-1	1	428.452	2.762	50	30		IFEAMM
COC(=O)C[C@H](c1ccc(OC)cc1)c1c2c(ccc1[O-])C(=O)/C(=C/N1CCOCC1)O2	ZINC000524731469	569126512	/nfs/dbraw/zinc/12/65/12/569126512.db2.gz	ZGLNIUIZMGVKCX-WRDGEJPTSA-N	-1	1	439.464	2.845	50	30		IFEAMM
N#Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000009411194	569531523	/nfs/dbraw/zinc/53/15/23/569531523.db2.gz	FQMOLCNZCLNJKB-JTHBVZDNSA-N	-1	1	434.455	2.777	50	30		IFEAMM
C=CCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1	ZINC000013352854	518884895	/nfs/dbraw/zinc/88/48/95/518884895.db2.gz	BTYFHAYQLYZTPZ-UHFFFAOYSA-N	-1	1	441.553	2.950	50	30		IFEAMM
COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2)c1	ZINC000040108691	522845096	/nfs/dbraw/zinc/84/50/96/522845096.db2.gz	OGCUIXPORFPGNW-UHFFFAOYSA-N	-1	1	427.383	2.981	50	30		IFEAMM
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000072401591	527468215	/nfs/dbraw/zinc/46/82/15/527468215.db2.gz	WGKIVBKLBQCULY-UHFFFAOYSA-N	-1	1	431.806	2.597	50	30		IFEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1F	ZINC000006624958	556098902	/nfs/dbraw/zinc/09/89/02/556098902.db2.gz	IBGJDGFLRISYQM-MMXTWKRJSA-N	-1	1	431.445	2.810	50	30		IFEAMM
CCOC(=O)c1c2c(sc1NC(=O)N=S(=O)([O-])c1ccc(C)cc1)CN(C)CC2	ZINC000019834801	556927664	/nfs/dbraw/zinc/92/76/64/556927664.db2.gz	WMXPDBLPIOAGFY-UHFFFAOYSA-N	-1	1	437.543	2.936	50	30		IFEAMM
CCOC(=O)c1c2c(sc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)CN(C)CC2	ZINC000019834801	556927669	/nfs/dbraw/zinc/92/76/69/556927669.db2.gz	WMXPDBLPIOAGFY-UHFFFAOYSA-N	-1	1	437.543	2.936	50	30		IFEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)c1	ZINC000020310492	557007475	/nfs/dbraw/zinc/00/74/75/557007475.db2.gz	PWYQQGZUCISSIG-NRFANRHFSA-N	-1	1	440.471	2.750	50	30		IFEAMM
COC(=O)C[C@H](c1ccc(O)cc1)c1c2c(ccc1[O-])C(=O)/C(=C/N1CCOCC1)O2	ZINC000604404890	557248103	/nfs/dbraw/zinc/24/81/03/557248103.db2.gz	ILZSIIXNBDTFOB-MCRQTXEHSA-N	-1	1	425.437	2.542	50	30		IFEAMM
C=CCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OC)c2)C(=O)[N-]C1=S	ZINC000019877690	568855267	/nfs/dbraw/zinc/85/52/67/568855267.db2.gz	OXAWGLGJZMSAHG-XFFZJAGNSA-N	-1	1	425.304	2.669	50	30		IFEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020309670	569359743	/nfs/dbraw/zinc/35/97/43/569359743.db2.gz	WSGWRGPPXQQXAW-FQEVSTJZSA-N	-1	1	426.469	2.549	50	30		IFEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000009012342	569496561	/nfs/dbraw/zinc/49/65/61/569496561.db2.gz	QUFNSMQBOQLMJS-YDJIHCHBSA-N	-1	1	425.437	2.990	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(=O)OC)cc1)C(C(=O)OC)=C(C)N2	ZINC000008884071	519080797	/nfs/dbraw/zinc/08/07/97/519080797.db2.gz	BMTRXELWISAPCL-HNNXBMFYSA-N	-1	1	427.482	2.839	50	30		IFEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCC(=O)[O-])cc(OC)c1OC	ZINC000035170743	522917579	/nfs/dbraw/zinc/91/75/79/522917579.db2.gz	LBGMDFSGRRMHKF-LJQANCHMSA-N	-1	1	441.436	2.765	50	30		IFEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1F	ZINC000016115753	556584160	/nfs/dbraw/zinc/58/41/60/556584160.db2.gz	IBGJDGFLRISYQM-KQFRHJRUSA-N	-1	1	431.445	2.810	50	30		IFEAMM
C=CCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O	ZINC000006181227	568868058	/nfs/dbraw/zinc/86/80/58/568868058.db2.gz	XQOYHPASOPDJED-UHFFFAOYSA-N	-1	1	431.901	2.922	50	30		IFEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1C	ZINC000020309860	569359734	/nfs/dbraw/zinc/35/97/34/569359734.db2.gz	FHJCDWRAXVFYBO-QFIPXVFZSA-N	-1	1	436.508	2.920	50	30		IFEAMM
C=CCN1C(=O)C(=CC(=O)OC)SC1=Nc1nc[n-]c1C(=O)Nc1ccc(C)cc1	ZINC000008695034	569470222	/nfs/dbraw/zinc/47/02/22/569470222.db2.gz	UJAPKKQFQKNTKN-AQZKKQPLSA-N	-1	1	425.470	2.776	50	30		IFEAMM
C=CCN1C(=O)C(=CC(=O)OC)S/C1=N\c1[n-]cnc1C(=O)Nc1ccc(C)cc1	ZINC000008695034	569470223	/nfs/dbraw/zinc/47/02/23/569470223.db2.gz	UJAPKKQFQKNTKN-AQZKKQPLSA-N	-1	1	425.470	2.776	50	30		IFEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000021712945	518919907	/nfs/dbraw/zinc/91/99/07/518919907.db2.gz	YGGIBQIPAXBJIP-FQEVSTJZSA-N	-1	1	427.526	2.703	50	30		IFEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)NC1=O	ZINC000016115788	556584098	/nfs/dbraw/zinc/58/40/98/556584098.db2.gz	UUEKTCUWKIHLJL-LKKXKRCMSA-N	-1	1	431.857	2.955	50	30		IFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2	ZINC000046074434	557030539	/nfs/dbraw/zinc/03/05/39/557030539.db2.gz	USPZACHAZYEORY-NSHDSACASA-N	-1	1	435.303	2.875	50	30		IFEAMM
C#CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OCC	ZINC000002994374	557684530	/nfs/dbraw/zinc/68/45/30/557684530.db2.gz	JSQAMGGTSCCMLS-UKTHLTGXSA-N	-1	1	449.326	2.673	50	30		IFEAMM
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000027571698	563044441	/nfs/dbraw/zinc/04/44/41/563044441.db2.gz	SEIMYBCYAWBSIU-IBGZPJMESA-N	-1	1	429.400	2.983	50	30		IFEAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288648	568882171	/nfs/dbraw/zinc/88/21/71/568882171.db2.gz	GWILPKMRHVYYTB-UDWIEESQSA-N	-1	1	444.516	2.834	50	30		IFEAMM
CS(=O)(=O)c1ncc(Br)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000027745481	569295422	/nfs/dbraw/zinc/29/54/22/569295422.db2.gz	LYVYPPWLQUFLJT-UHFFFAOYSA-N	-1	1	441.332	2.707	50	30		IFEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1C	ZINC000020309858	569359931	/nfs/dbraw/zinc/35/99/31/569359931.db2.gz	FHJCDWRAXVFYBO-JOCHJYFZSA-N	-1	1	436.508	2.920	50	30		IFEAMM
Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020310466	569360080	/nfs/dbraw/zinc/36/00/80/569360080.db2.gz	FPROYGIAMMHISO-QFIPXVFZSA-N	-1	1	436.508	2.920	50	30		IFEAMM
C=CCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1	ZINC000013352845	518883550	/nfs/dbraw/zinc/88/35/50/518883550.db2.gz	DFCHDESQJFINKF-UHFFFAOYSA-N	-1	1	427.526	2.642	50	30		IFEAMM
C=CCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1	ZINC000013357121	518884741	/nfs/dbraw/zinc/88/47/41/518884741.db2.gz	UODHDLOYUYEPKC-UHFFFAOYSA-N	-1	1	427.526	2.642	50	30		IFEAMM
CCOc1ccc(-n2c([O-])c(C(=O)C=Cc3cc(OC)ccc3OC)c(=O)[nH]c2=O)cc1	ZINC000013540780	556513531	/nfs/dbraw/zinc/51/35/31/556513531.db2.gz	AAOSMDQXWOKVBX-VZUCSPMQSA-N	-1	1	438.436	2.543	50	30		IFEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c([O-])c1	ZINC000020309608	557007172	/nfs/dbraw/zinc/00/71/72/557007172.db2.gz	NRSISNHIAAGCQN-HXUWFJFHSA-N	-1	1	426.469	2.549	50	30		IFEAMM
COC(=O)C[C@H](c1cccc(O)c1)c1c2c(ccc1[O-])C(=O)/C(=C/N1CCOCC1)O2	ZINC000604406310	557239975	/nfs/dbraw/zinc/23/99/75/557239975.db2.gz	GVVSVYQWVZEKFI-MCRQTXEHSA-N	-1	1	425.437	2.542	50	30		IFEAMM
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2cc(Cl)ccc2Cl)c(O)c2ccccc21	ZINC000100353790	557258710	/nfs/dbraw/zinc/25/87/10/557258710.db2.gz	VGJSDRKYVNYPLT-UHFFFAOYSA-N	-1	1	430.251	2.853	50	30		IFEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000100428049	557403089	/nfs/dbraw/zinc/40/30/89/557403089.db2.gz	PYRCWFPWOTZTKM-NHFXJNLRSA-N	-1	1	434.473	2.960	50	30		IFEAMM
COCCN1C(=O)C(=CNc2c(C#N)c(C)c(C)n2C2CCCCC2)C(=O)[N-]C1=S	ZINC000105255344	557492247	/nfs/dbraw/zinc/49/22/47/557492247.db2.gz	WHPUJNXTXAEUJE-ATVHPVEESA-N	-1	1	429.546	2.667	50	30		IFEAMM
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)C(=O)[N-]C1=S	ZINC000009260185	568818254	/nfs/dbraw/zinc/81/82/54/568818254.db2.gz	OXAWGLGJZMSAHG-YRNVUSSQSA-N	-1	1	425.304	2.669	50	30		IFEAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000014253176	568825572	/nfs/dbraw/zinc/82/55/72/568825572.db2.gz	CGBCUNGFHWEGDZ-UHFFFAOYSA-N	-1	1	442.519	2.886	50	30		IFEAMM
COC(=O)CC(c1cc2cc3c(cc2[nH]c1=O)OCO3)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217844526	569454008	/nfs/dbraw/zinc/45/40/08/569454008.db2.gz	SOHFPZVNHKRAAY-CQSZACIVSA-N	-1	1	447.399	2.795	50	30		IFEAMM
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009108692	569501930	/nfs/dbraw/zinc/50/19/30/569501930.db2.gz	HPATULBCWHYNJC-GOSISDBHSA-N	-1	1	426.381	2.656	50	30		IFEAMM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000009985316	569576737	/nfs/dbraw/zinc/57/67/37/569576737.db2.gz	HKUCSKVQIXUBAM-OAQYLSRUSA-N	-1	1	429.498	2.699	50	30		IFEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000021712924	518929009	/nfs/dbraw/zinc/92/90/09/518929009.db2.gz	LLJHWBCPNBWGMY-LJQANCHMSA-N	-1	1	431.489	2.533	50	30		IFEAMM
CCOC([O-])=NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)ccc2Cl)cc1	ZINC000051330306	520389720	/nfs/dbraw/zinc/38/97/20/520389720.db2.gz	QYMZMWFDTWVZFQ-UHFFFAOYSA-N	-1	1	440.905	2.960	50	30		IFEAMM
CCOC(=O)[N-]S(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)ccc2Cl)cc1	ZINC000051330306	520389727	/nfs/dbraw/zinc/38/97/27/520389727.db2.gz	QYMZMWFDTWVZFQ-UHFFFAOYSA-N	-1	1	440.905	2.960	50	30		IFEAMM
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC(=O)[O-])[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009109992	520874482	/nfs/dbraw/zinc/87/44/82/520874482.db2.gz	HPATULBCWHYNJC-SFHVURJKSA-N	-1	1	426.381	2.656	50	30		IFEAMM
N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1	ZINC000040288524	526475361	/nfs/dbraw/zinc/47/53/61/526475361.db2.gz	FVMMJZQATJLDGJ-QHCPKHFHSA-N	-1	1	448.479	2.742	50	30		IFEAMM
O=[N+]([O-])c1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1[O-]	ZINC000036026122	527326789	/nfs/dbraw/zinc/32/67/89/527326789.db2.gz	XMLLWWAAAKFNRA-KGENOOAVSA-N	-1	1	426.481	2.912	50	30		IFEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)NC1=O	ZINC000016115270	556583585	/nfs/dbraw/zinc/58/35/85/556583585.db2.gz	AVDMWSZZNFNBDK-SBUZPKSBSA-N	-1	1	431.857	2.955	50	30		IFEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)NC1=O	ZINC000016115716	556584070	/nfs/dbraw/zinc/58/40/70/556584070.db2.gz	OYIMHYGADNRFBL-LKKXKRCMSA-N	-1	1	431.857	2.955	50	30		IFEAMM
CCCCOC(=O)c1ccc(N=Cc2c(=O)[nH]c(=O)n(-c3ccc(OC)cc3)c2[O-])cc1	ZINC000102816415	557393431	/nfs/dbraw/zinc/39/34/31/557393431.db2.gz	NEVMRHIRTZUWAB-ZVHZXABRSA-N	-1	1	437.452	2.948	50	30		IFEAMM
N#Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000103544561	557438796	/nfs/dbraw/zinc/43/87/96/557438796.db2.gz	FQMOLCNZCLNJKB-FYYLOGMGSA-N	-1	1	434.455	2.777	50	30		IFEAMM
Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000065318850	569134469	/nfs/dbraw/zinc/13/44/69/569134469.db2.gz	XJHHLTCRRAXGGJ-UHFFFAOYSA-N	-1	1	437.481	2.954	50	30		IFEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1cccnc1	ZINC000020310097	569360024	/nfs/dbraw/zinc/36/00/24/569360024.db2.gz	HNEHCBCHOZJXAT-QGZVFWFLSA-N	-1	1	446.301	2.690	50	30		IFEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000021712927	518919164	/nfs/dbraw/zinc/91/91/64/518919164.db2.gz	LLJHWBCPNBWGMY-IBGZPJMESA-N	-1	1	431.489	2.533	50	30		IFEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(F)cc1	ZINC000006624830	556098805	/nfs/dbraw/zinc/09/88/05/556098805.db2.gz	MNRAJDCWFGYKIC-MMXTWKRJSA-N	-1	1	431.445	2.810	50	30		IFEAMM
N#Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000100673359	556642807	/nfs/dbraw/zinc/64/28/07/556642807.db2.gz	FQMOLCNZCLNJKB-GGAORHGYSA-N	-1	1	434.455	2.777	50	30	aggregator	IFEAMM
C=CCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)[N-]C1=S	ZINC000009259048	568818249	/nfs/dbraw/zinc/81/82/49/568818249.db2.gz	AJZQOVOPOMKXKZ-AQTBWJFISA-N	-1	1	435.505	2.825	50	30		IFEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(=O)[N-]C1=S	ZINC000001012751	568832796	/nfs/dbraw/zinc/83/27/96/568832796.db2.gz	FVCYLLNDWLLDDG-LDADJPATSA-N	-1	1	439.468	2.656	50	30		IFEAMM
CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ncccc4C#N)CC3)c2c1	ZINC000036366457	569087180	/nfs/dbraw/zinc/08/71/80/569087180.db2.gz	HMCMSKVRQJFANN-OAQYLSRUSA-N	-1	1	446.511	2.977	50	30		IFEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccnc1	ZINC000020310094	569360097	/nfs/dbraw/zinc/36/00/97/569360097.db2.gz	HNEHCBCHOZJXAT-KRWDZBQOSA-N	-1	1	446.301	2.690	50	30		IFEAMM
COC(=O)CC(c1cc2cc3c(cc2[nH]c1=O)OCO3)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217844451	569454030	/nfs/dbraw/zinc/45/40/30/569454030.db2.gz	SOHFPZVNHKRAAY-AWEZNQCLSA-N	-1	1	447.399	2.795	50	30		IFEAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)cc1	ZINC000013040570	525084480	/nfs/dbraw/zinc/08/44/80/525084480.db2.gz	SYWUHOKDHNNLFR-UHFFFAOYSA-N	-1	1	437.543	2.747	50	30		IFEAMM
N#C[C@@H](C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1nc(=O)c2c(C3CC3)csc2[n-]1	ZINC000095455127	526491170	/nfs/dbraw/zinc/49/11/70/526491170.db2.gz	VRQXEGCUMKIUFB-LLVKDONJSA-N	-1	1	427.873	2.860	50	30		IFEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000027571702	563044433	/nfs/dbraw/zinc/04/44/33/563044433.db2.gz	SEIMYBCYAWBSIU-LJQANCHMSA-N	-1	1	429.400	2.983	50	30		IFEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)[N-]C1=S	ZINC000009260151	568818290	/nfs/dbraw/zinc/81/82/90/568818290.db2.gz	COEHMCVMRWQZRN-WOJGMQOQSA-N	-1	1	433.489	2.959	50	30		IFEAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000014249490	568825588	/nfs/dbraw/zinc/82/55/88/568825588.db2.gz	QYAPTGTXOGOJJA-UHFFFAOYSA-N	-1	1	448.548	2.948	50	30		IFEAMM
COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1	ZINC000064814017	568963839	/nfs/dbraw/zinc/96/38/39/568963839.db2.gz	ZONXSINZBYCXNL-UHFFFAOYSA-N	-1	1	428.452	2.762	50	30		IFEAMM
CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ncccc4C#N)CC3)c2c1	ZINC000036366455	569087135	/nfs/dbraw/zinc/08/71/35/569087135.db2.gz	HMCMSKVRQJFANN-NRFANRHFSA-N	-1	1	446.511	2.977	50	30		IFEAMM
CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020309927	569359833	/nfs/dbraw/zinc/35/98/33/569359833.db2.gz	JBKVIWNGTOHPHG-NRFANRHFSA-N	-1	1	440.496	2.939	50	30		IFEAMM
N#Cc1c2c3c([O-])cn(CCc4ccccc4)c3nc(N)c2c(N)nc1N1CCCCC1	ZINC000013030060	132342584	/nfs/dbraw/zinc/34/25/84/132342584.db2.gz	KCZWHFUGSNHWND-UHFFFAOYSA-N	-1	1	427.512	2.902	50	30		IFEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)n[n-]c1=S	ZINC000012792914	519193039	/nfs/dbraw/zinc/19/30/39/519193039.db2.gz	ZFRIJQHVHOWJET-UHFFFAOYSA-N	-1	1	428.499	2.757	50	30		IFEAMM
COc1nc(NC([O-])=NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1	ZINC000042685591	524978003	/nfs/dbraw/zinc/97/80/03/524978003.db2.gz	KVEQCVKVIFQSGC-UHFFFAOYSA-N	-1	1	445.301	2.633	50	30	in-vitro	IFEAMM
COc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1	ZINC000042685591	524978012	/nfs/dbraw/zinc/97/80/12/524978012.db2.gz	KVEQCVKVIFQSGC-UHFFFAOYSA-N	-1	1	445.301	2.633	50	30	in-vitro	IFEAMM
O=S(=O)(N=C1CCCCCN1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000013041733	527160394	/nfs/dbraw/zinc/16/03/94/527160394.db2.gz	DNKMZHQJMBSPMM-UHFFFAOYSA-N	-1	1	425.507	2.877	50	30		IFEAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(=O)N1CCOCC1	ZINC000016648472	556620007	/nfs/dbraw/zinc/62/00/07/556620007.db2.gz	HSJYZDKFIWUADJ-UHFFFAOYSA-N	-1	1	431.539	2.748	50	30		IFEAMM
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000098086453	557123065	/nfs/dbraw/zinc/12/30/65/557123065.db2.gz	VNBPFUWDCRPYCP-BOPFTXTBSA-N	-1	1	436.420	2.620	50	30		IFEAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1OCC	ZINC000024578385	568624074	/nfs/dbraw/zinc/62/40/74/568624074.db2.gz	ITBDIMZOMSAWSJ-UHFFFAOYSA-N	-1	1	427.486	2.924	50	30		IFEAMM
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)[N-]C1=S	ZINC000016214886	568829452	/nfs/dbraw/zinc/82/94/52/568829452.db2.gz	COEHMCVMRWQZRN-WQRHYEAKSA-N	-1	1	433.489	2.959	50	30		IFEAMM
C=CCc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)c(OC)c1	ZINC000002977730	569433613	/nfs/dbraw/zinc/43/36/13/569433613.db2.gz	URKLXLJYGOPYEJ-UHFFFAOYSA-N	-1	1	438.505	2.796	50	30		IFEAMM
C[N-]C(=S)SCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000008789624	569475918	/nfs/dbraw/zinc/47/59/18/569475918.db2.gz	VWQJHWHNEGHXMK-QVYHQVDHSA-N	-1	1	449.638	2.803	50	30		IFEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000009271548	569517859	/nfs/dbraw/zinc/51/78/59/569517859.db2.gz	VSYKHXMZQHWIBU-LCPUNJGISA-N	-1	1	425.437	2.990	50	30		IFEAMM
COc1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2[O-])cc1OC	ZINC000009429968	569533855	/nfs/dbraw/zinc/53/38/55/569533855.db2.gz	LPGGLEZZOQJZGG-YCRREMRBSA-N	-1	1	428.828	2.798	50	30		IFEAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000009670769	569558417	/nfs/dbraw/zinc/55/84/17/569558417.db2.gz	CSNSNOQNFBXJPE-UHFFFAOYSA-N	-1	1	449.554	2.932	50	30		IFEAMM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000009985322	569576750	/nfs/dbraw/zinc/57/67/50/569576750.db2.gz	HKUCSKVQIXUBAM-NRFANRHFSA-N	-1	1	429.498	2.699	50	30		IFEAMM