smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)CC#N	ZINC000111587019	524305277	/nfs/dbraw/zinc/30/52/77/524305277.db2.gz	JHGDNELZJFINON-SNVBAGLBSA-N	-1	3	352.350	1.612	10	30		FDEEHM
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C/c2ccc(OC)c(O)c2)c1	ZINC000020247653	524875130	/nfs/dbraw/zinc/87/51/30/524875130.db2.gz	RNIXCRLLANQONB-LICLKQGHSA-N	-1	3	366.395	1.730	10	30		FDEEHM
Cc1cc(N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)c(C#N)c(C)n1	ZINC000328624828	571138266	/nfs/dbraw/zinc/13/82/66/571138266.db2.gz	CQIKQILSEXCLQO-CQSZACIVSA-N	-1	3	353.430	1.359	10	30		FDEEHM
CCn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cccc(F)c2C#N)cn1	ZINC000328630860	571325217	/nfs/dbraw/zinc/32/52/17/571325217.db2.gz	QIABFKIJSGCPBP-GOEBONIOSA-N	-1	3	364.402	1.722	10	30		FDEEHM
C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC=CC12CCCC2	ZINC000913196044	861653743	/nfs/dbraw/zinc/65/37/43/861653743.db2.gz	SRGPXMUGSAACOJ-ZDUSSCGKSA-N	-1	3	359.451	1.825	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2cccnc2)C1	ZINC000135698087	173351373	/nfs/dbraw/zinc/35/13/73/173351373.db2.gz	FFRPEOHONOXWID-MRXNPFEDSA-N	-1	3	366.421	1.871	10	30		FDEEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC2	ZINC000184730061	258383317	/nfs/dbraw/zinc/38/33/17/258383317.db2.gz	WKDMASWFKJVUMA-LLVKDONJSA-N	-1	3	365.846	1.659	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000047289743	522490112	/nfs/dbraw/zinc/49/01/12/522490112.db2.gz	RCHLVICYYINWPD-AWEZNQCLSA-N	-1	3	358.442	1.313	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Oc2cccnc2)C1	ZINC000135698053	173351669	/nfs/dbraw/zinc/35/16/69/173351669.db2.gz	FFRPEOHONOXWID-INIZCTEOSA-N	-1	3	366.421	1.871	10	30		FDEEHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)NC3CCCC3)C2=O)cc1	ZINC000329829827	259112718	/nfs/dbraw/zinc/11/27/18/259112718.db2.gz	JNXRHIDPEDAPRX-MRXNPFEDSA-N	-1	3	362.455	1.420	10	30		FDEEHM
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C/c2ccc(O)c(O)c2)c1	ZINC000020247651	524875551	/nfs/dbraw/zinc/87/55/51/524875551.db2.gz	MLHNQYHYXHFOBV-CXUHLZMHSA-N	-1	3	352.368	1.427	10	30		FDEEHM
CN1CCN(c2nc(-c3ccc(Br)o3)c(C#N)c(=O)[n-]2)CC1	ZINC000223968830	672413606	/nfs/dbraw/zinc/41/36/06/672413606.db2.gz	AXIDSMKYQFRNCA-UHFFFAOYSA-N	-1	3	364.203	1.416	10	30		FDEEHM
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C/c2ccc3c(c2)OCO3)c1	ZINC000006736248	263346613	/nfs/dbraw/zinc/34/66/13/263346613.db2.gz	OMSMAXKIBVRGHG-RQZCQDPDSA-N	-1	3	364.379	1.745	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185098442	536198456	/nfs/dbraw/zinc/19/84/56/536198456.db2.gz	DMGLQWVGBNZGCY-LBPRGKRZSA-N	-1	3	351.819	1.925	10	30		FDEEHM
Cc1cc(C)c2ncc(C#N)c(N3CCO[C@@H](CN(C)CC(=O)[O-])C3)c2c1	ZINC000263377602	537024810	/nfs/dbraw/zinc/02/48/10/537024810.db2.gz	BRVYHNOIPFRBLL-INIZCTEOSA-N	-1	3	368.437	1.945	10	30		FDEEHM
C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC=CC12CCCC2	ZINC000913196043	861653578	/nfs/dbraw/zinc/65/35/78/861653578.db2.gz	SRGPXMUGSAACOJ-CYBMUJFWSA-N	-1	3	359.451	1.825	10	30		FDEEHM
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(=O)N[O-]	ZINC000070603600	522008764	/nfs/dbraw/zinc/00/87/64/522008764.db2.gz	GLRPMXSBLVLMJL-UHFFFAOYSA-N	-1	3	365.455	1.860	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F	ZINC000045263858	522062416	/nfs/dbraw/zinc/06/24/16/522062416.db2.gz	HIJIIEJRGNAQHM-RYUDHWBXSA-N	-1	3	356.419	1.539	10	30		FDEEHM
CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCN1CCOC	ZINC000117307024	525316242	/nfs/dbraw/zinc/31/62/42/525316242.db2.gz	XLTZVJDLSJXKSH-INIZCTEOSA-N	-1	3	374.485	1.365	10	30		FDEEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC2	ZINC000183664137	536024774	/nfs/dbraw/zinc/02/47/74/536024774.db2.gz	UKUFOAYPSSHYPY-NSHDSACASA-N	-1	3	365.846	1.659	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185098462	536198483	/nfs/dbraw/zinc/19/84/83/536198483.db2.gz	DMGLQWVGBNZGCY-GFCCVEGCSA-N	-1	3	351.819	1.925	10	30		FDEEHM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149184	536200444	/nfs/dbraw/zinc/20/04/44/536200444.db2.gz	WDZPPQRRPOPFJH-HOTGVXAUSA-N	-1	3	368.430	1.950	10	30		FDEEHM
CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)nc1	ZINC000188408324	536292356	/nfs/dbraw/zinc/29/23/56/536292356.db2.gz	BRKYXCDKRPXCIS-UHFFFAOYSA-N	-1	3	365.437	1.683	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000125864199	173021398	/nfs/dbraw/zinc/02/13/98/173021398.db2.gz	KRHLAVRUEBGHHA-GFCCVEGCSA-N	-1	3	351.819	1.925	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000151215967	173393691	/nfs/dbraw/zinc/39/36/91/173393691.db2.gz	LOOGMRYUHGVMMV-YWZLYKJASA-N	-1	3	357.454	1.950	10	30		FDEEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H](C)C#N	ZINC000176695447	525167339	/nfs/dbraw/zinc/16/73/39/525167339.db2.gz	RSYISQDTKNQMTA-JTQLQIEISA-N	-1	3	352.350	1.470	10	30		FDEEHM
C=CCC1(CNC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)CCCC1	ZINC000263334795	537019311	/nfs/dbraw/zinc/01/93/11/537019311.db2.gz	DFUSUTCUWJQRBT-OAHLLOKOSA-N	-1	3	353.463	1.550	10	30		FDEEHM
Cn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)cn1	ZINC000189196781	570783607	/nfs/dbraw/zinc/78/36/07/570783607.db2.gz	YZLAMVXBWUIDDE-DZGCQCFKSA-N	-1	3	350.375	1.239	10	30		FDEEHM
COc1ccc(OC)c([N-]c2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])c1	ZINC000040617896	208259419	/nfs/dbraw/zinc/25/94/19/208259419.db2.gz	PCMCQVHVZHKXAA-UHFFFAOYSA-N	-1	3	369.341	1.999	10	30		FDEEHM
COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000126599631	173046935	/nfs/dbraw/zinc/04/69/35/173046935.db2.gz	CTEVYLQVMLLPFF-ZDUSSCGKSA-N	-1	3	361.427	1.418	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000151215797	173393800	/nfs/dbraw/zinc/39/38/00/173393800.db2.gz	LOOGMRYUHGVMMV-FOIQADDNSA-N	-1	3	357.454	1.950	10	30		FDEEHM
O=S(=O)(c1ccc(/N=C/c2ccc([O-])cc2O)cc1)N1CCOCC1	ZINC000100039911	209207065	/nfs/dbraw/zinc/20/70/65/209207065.db2.gz	QPMMWGCKRSVZIR-LDADJPATSA-N	-1	3	362.407	1.869	10	30		FDEEHM
O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2[O-])cc1)N1CCOCC1	ZINC000100039911	209207067	/nfs/dbraw/zinc/20/70/67/209207067.db2.gz	QPMMWGCKRSVZIR-LDADJPATSA-N	-1	3	362.407	1.869	10	30		FDEEHM
CC#CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)N[O-])cc1	ZINC000033998689	519591104	/nfs/dbraw/zinc/59/11/04/519591104.db2.gz	VUPQAWNWRCXTLV-CVEARBPZSA-N	-1	3	366.439	1.431	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2O)ccc1F	ZINC000077152865	523252952	/nfs/dbraw/zinc/25/29/52/523252952.db2.gz	CQQJTNPUDJAOIS-UKRRQHHQSA-N	-1	3	370.446	1.571	10	30		FDEEHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCn3ccnc3C2)c(Cl)c1	ZINC000328633620	571325404	/nfs/dbraw/zinc/32/54/04/571325404.db2.gz	SQOAXPUPOLMDEE-GFCCVEGCSA-N	-1	3	350.831	1.949	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CO)ccc1F	ZINC000179248147	525548208	/nfs/dbraw/zinc/54/82/08/525548208.db2.gz	BMHCROZEMILZPZ-ZFWWWQNUSA-N	-1	3	370.446	1.571	10	30		FDEEHM
C=CCC1(CNC(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)CCCC1	ZINC000263334794	537019785	/nfs/dbraw/zinc/01/97/85/537019785.db2.gz	DFUSUTCUWJQRBT-HNNXBMFYSA-N	-1	3	353.463	1.550	10	30		FDEEHM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000263472023	537035901	/nfs/dbraw/zinc/03/59/01/537035901.db2.gz	ICXIXVFXVQRNQJ-UHFFFAOYSA-N	-1	3	371.846	1.427	10	30		FDEEHM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000263472023	537035903	/nfs/dbraw/zinc/03/59/03/537035903.db2.gz	ICXIXVFXVQRNQJ-UHFFFAOYSA-N	-1	3	371.846	1.427	10	30		FDEEHM
CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2	ZINC000114870337	172638295	/nfs/dbraw/zinc/63/82/95/172638295.db2.gz	KUNJCVCAMLWFGJ-ZDUSSCGKSA-N	-1	3	368.441	1.081	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000125469709	173006222	/nfs/dbraw/zinc/00/62/22/173006222.db2.gz	GJHYGCCLEBMQCN-UHFFFAOYSA-N	-1	3	353.426	1.925	10	30		FDEEHM
Cc1nccn1C[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000177204546	174114418	/nfs/dbraw/zinc/11/44/18/174114418.db2.gz	RWYUFNCTUGEFDJ-MRXNPFEDSA-N	-1	3	367.453	1.992	10	30		FDEEHM
COc1cc(/C=N/[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000006580708	207147337	/nfs/dbraw/zinc/14/73/37/207147337.db2.gz	PRLRKJYEERDYOE-OQLLNIDSSA-N	-1	3	351.340	1.621	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125863759	173020828	/nfs/dbraw/zinc/02/08/28/173020828.db2.gz	OGHZKLSCRRZRHZ-GFCCVEGCSA-N	-1	3	351.819	1.925	10	30		FDEEHM
C[C@H](C#N)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000160638329	524935875	/nfs/dbraw/zinc/93/58/75/524935875.db2.gz	WEPGDOPDMUMXEK-SSDOTTSWSA-N	-1	3	358.217	1.524	10	30		FDEEHM
COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000126599880	525330941	/nfs/dbraw/zinc/33/09/41/525330941.db2.gz	QBXCHAUEDAUQNL-LBPRGKRZSA-N	-1	3	365.390	1.249	10	30		FDEEHM
CC[C@H](C#N)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000160831169	524979028	/nfs/dbraw/zinc/97/90/28/524979028.db2.gz	ACSWQKAOLYOBNT-SECBINFHSA-N	-1	3	372.244	1.914	10	30		FDEEHM
COc1ccc(OC)c(S(=O)(=O)[N-]N=Cc2ccc3c(c2)OCO3)c1	ZINC000015894638	518738365	/nfs/dbraw/zinc/73/83/65/518738365.db2.gz	OMSMAXKIBVRGHG-UHFFFAOYSA-N	-1	3	364.379	1.745	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1F	ZINC000179248119	525548357	/nfs/dbraw/zinc/54/83/57/525548357.db2.gz	BMHCROZEMILZPZ-UKRRQHHQSA-N	-1	3	370.446	1.571	10	30		FDEEHM
C[C@H](C#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O	ZINC000151116642	524526815	/nfs/dbraw/zinc/52/68/15/524526815.db2.gz	UYYGAWQSMUBYHF-SSDOTTSWSA-N	-1	3	367.146	1.775	10	30		FDEEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCO1	ZINC000263419313	537029814	/nfs/dbraw/zinc/02/98/14/537029814.db2.gz	OYEGCIIESAXWQH-CQSZACIVSA-N	-1	3	374.828	1.981	10	30		FDEEHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)NC3CCCC3)C2=O)cc1	ZINC000329829826	259112654	/nfs/dbraw/zinc/11/26/54/259112654.db2.gz	JNXRHIDPEDAPRX-INIZCTEOSA-N	-1	3	362.455	1.420	10	30		FDEEHM
CCOCCN1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@H]1C	ZINC000117281579	525300281	/nfs/dbraw/zinc/30/02/81/525300281.db2.gz	KBHBLPRHRQHCHT-AWEZNQCLSA-N	-1	3	374.485	1.365	10	30		FDEEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC2	ZINC000183664122	536024790	/nfs/dbraw/zinc/02/47/90/536024790.db2.gz	UKUFOAYPSSHYPY-LLVKDONJSA-N	-1	3	365.846	1.659	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCn2cc(C)cn2)ccc1F	ZINC000117813498	671664463	/nfs/dbraw/zinc/66/44/63/671664463.db2.gz	ULJNSZMJJNDFGM-UHFFFAOYSA-N	-1	3	366.418	1.225	10	30		FDEEHM
CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C#N)c(Br)c1	ZINC000160682436	524946706	/nfs/dbraw/zinc/94/67/06/524946706.db2.gz	IGQDRFJEGWDQGR-MRVPVSSYSA-N	-1	3	361.217	1.816	10	30		FDEEHM
Cn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cccc(F)c2C#N)cn1	ZINC000328635801	571148983	/nfs/dbraw/zinc/14/89/83/571148983.db2.gz	VDPFFCICYORVLB-DZGCQCFKSA-N	-1	3	350.375	1.239	10	30		FDEEHM
CN(C)c1nc(CN(C)[C@H]2CCN(c3cccc(F)c3C#N)C2)cc(=O)[n-]1	ZINC000275550645	522334598	/nfs/dbraw/zinc/33/45/98/522334598.db2.gz	FZAYZNNWPMUDSZ-AWEZNQCLSA-N	-1	3	370.432	1.970	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCCCC1	ZINC000047289744	522490888	/nfs/dbraw/zinc/49/08/88/522490888.db2.gz	RCHLVICYYINWPD-CQSZACIVSA-N	-1	3	358.442	1.313	10	30		FDEEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@H](C)C#N	ZINC000176695463	525166807	/nfs/dbraw/zinc/16/68/07/525166807.db2.gz	RSYISQDTKNQMTA-SNVBAGLBSA-N	-1	3	352.350	1.470	10	30		FDEEHM
Cc1cc([N-]C(=O)[C@H](C)N2CCCN(c3ncccc3C#N)CC2)on1	ZINC000066437503	210210219	/nfs/dbraw/zinc/21/02/19/210210219.db2.gz	NBYDTOUNXRGNQC-AWEZNQCLSA-N	-1	3	354.414	1.789	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)ccc1F	ZINC000046220208	210059755	/nfs/dbraw/zinc/05/97/55/210059755.db2.gz	DCRPNCGBBPKKLX-BXUZGUMPSA-N	-1	3	356.419	1.587	10	30		FDEEHM
CN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2C(=O)[O-])CC1	ZINC000098178680	222230763	/nfs/dbraw/zinc/23/07/63/222230763.db2.gz	XREZEMOUSGFLEW-UHFFFAOYSA-N	-1	3	353.386	1.691	10	30		FDEEHM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000263477004	537036869	/nfs/dbraw/zinc/03/68/69/537036869.db2.gz	JQMQCOUPIMUMDI-UHFFFAOYSA-N	-1	3	371.846	1.427	10	30		FDEEHM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000263477004	537036872	/nfs/dbraw/zinc/03/68/72/537036872.db2.gz	JQMQCOUPIMUMDI-UHFFFAOYSA-N	-1	3	371.846	1.427	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1F	ZINC000045263860	522061320	/nfs/dbraw/zinc/06/13/20/522061320.db2.gz	HIJIIEJRGNAQHM-VXGBXAGGSA-N	-1	3	356.419	1.539	10	30		FDEEHM
Cn1cc([C@H]2CN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CCO2)cn1	ZINC000330085195	676671993	/nfs/dbraw/zinc/67/19/93/676671993.db2.gz	CRAAMJBXYBWITK-SECBINFHSA-N	-1	3	359.312	1.045	10	30		FDEEHM
COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000126599413	173047049	/nfs/dbraw/zinc/04/70/49/173047049.db2.gz	CTEVYLQVMLLPFF-CYBMUJFWSA-N	-1	3	361.427	1.418	10	30		FDEEHM
CC#CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(=O)N[O-])cc1	ZINC000003820776	518279853	/nfs/dbraw/zinc/27/98/53/518279853.db2.gz	VUPQAWNWRCXTLV-HZPDHXFCSA-N	-1	3	366.439	1.431	10	30		FDEEHM
C=CCOc1ccc(CN2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1OC	ZINC000263537194	537043146	/nfs/dbraw/zinc/04/31/46/537043146.db2.gz	ZYPPXVMXKXCSEG-INIZCTEOSA-N	-1	3	364.442	1.477	10	30		FDEEHM
C=CCOc1ccc(CN2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1OC	ZINC000263537195	537043197	/nfs/dbraw/zinc/04/31/97/537043197.db2.gz	ZYPPXVMXKXCSEG-MRXNPFEDSA-N	-1	3	364.442	1.477	10	30		FDEEHM
Cn1nccc1C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1	ZINC000330101219	676672555	/nfs/dbraw/zinc/67/25/55/676672555.db2.gz	FAGCQFMIGGQWML-UHFFFAOYSA-N	-1	3	357.340	1.851	10	30		FDEEHM
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCCNCCCO	ZINC000071973582	221391545	/nfs/dbraw/zinc/39/15/45/221391545.db2.gz	LCWVZWFWEGGWME-UHFFFAOYSA-N	-1	3	360.455	1.568	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cn2cccn2)CC1	ZINC000126278794	173035038	/nfs/dbraw/zinc/03/50/38/173035038.db2.gz	SUFACMKRUMEZMH-UHFFFAOYSA-N	-1	3	367.453	1.931	10	30		FDEEHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCCN(c3ncccc3C#N)CC2)on1	ZINC000064633087	522738114	/nfs/dbraw/zinc/73/81/14/522738114.db2.gz	NBYDTOUNXRGNQC-CQSZACIVSA-N	-1	3	354.414	1.789	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)ccc1F	ZINC000131334063	525847289	/nfs/dbraw/zinc/84/72/89/525847289.db2.gz	YLPULQYWYGIOIV-VXGBXAGGSA-N	-1	3	356.419	1.539	10	30		FDEEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)[C@H](C)CC#N	ZINC000137000711	524224247	/nfs/dbraw/zinc/22/42/47/524224247.db2.gz	VZINACNKUNOKJP-LLVKDONJSA-N	-1	3	366.377	1.955	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1F	ZINC000046220205	522250966	/nfs/dbraw/zinc/25/09/66/522250966.db2.gz	DCRPNCGBBPKKLX-RISCZKNCSA-N	-1	3	356.419	1.587	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)ccc1F	ZINC000179248139	525547845	/nfs/dbraw/zinc/54/78/45/525547845.db2.gz	BMHCROZEMILZPZ-DZGCQCFKSA-N	-1	3	370.446	1.571	10	30		FDEEHM
O=C(CN1CCN(c2ccccn2)CC1)Nc1nnc(C(F)(F)F)[n-]1	ZINC000076304770	523074205	/nfs/dbraw/zinc/07/42/05/523074205.db2.gz	IRDNHKMNFMDDGL-UHFFFAOYSA-N	-1	3	355.324	1.629	10	30		FDEEHM
O=C(CN1CCN(c2ccccn2)CC1)Nc1nc(C(F)(F)F)n[n-]1	ZINC000076304770	523074210	/nfs/dbraw/zinc/07/42/10/523074210.db2.gz	IRDNHKMNFMDDGL-UHFFFAOYSA-N	-1	3	355.324	1.629	10	30		FDEEHM
O=C(CN1CCN(c2ccccn2)CC1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000076304770	523074216	/nfs/dbraw/zinc/07/42/16/523074216.db2.gz	IRDNHKMNFMDDGL-UHFFFAOYSA-N	-1	3	355.324	1.629	10	30		FDEEHM
Cc1nccn1C[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000177204560	174114185	/nfs/dbraw/zinc/11/41/85/174114185.db2.gz	RWYUFNCTUGEFDJ-INIZCTEOSA-N	-1	3	367.453	1.992	10	30		FDEEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC2	ZINC000157597585	524305369	/nfs/dbraw/zinc/30/53/69/524305369.db2.gz	OMZBAAZAPWJYNR-SNVBAGLBSA-N	-1	3	365.846	1.659	10	30		FDEEHM
Cn1cc([C@@H]2CN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CCO2)cn1	ZINC000330085197	676671836	/nfs/dbraw/zinc/67/18/36/676671836.db2.gz	CRAAMJBXYBWITK-VIFPVBQESA-N	-1	3	359.312	1.045	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125863522	173020730	/nfs/dbraw/zinc/02/07/30/173020730.db2.gz	OGHZKLSCRRZRHZ-LBPRGKRZSA-N	-1	3	351.819	1.925	10	30		FDEEHM
Cc1ccc(NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C#N	ZINC000302670868	259044277	/nfs/dbraw/zinc/04/42/77/259044277.db2.gz	RJVLZCMVVOBLTK-UHFFFAOYSA-N	-1	3	361.383	1.560	10	30		FDEEHM
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2[O-])cc1[N+](=O)[O-]	ZINC000005446341	518344406	/nfs/dbraw/zinc/34/44/06/518344406.db2.gz	GIRKNDSBKWKUKP-OVCLIPMQSA-N	-1	3	351.340	1.627	10	30		FDEEHM
O=S(=O)(c1ccc(/N=C\c2ccc(O)cc2[O-])cc1)N1CCOCC1	ZINC000005944595	518358579	/nfs/dbraw/zinc/35/85/79/518358579.db2.gz	QPMMWGCKRSVZIR-PDGQHHTCSA-N	-1	3	362.407	1.869	10	30		FDEEHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCO[C@@H](c2nccs2)C1	ZINC000330125434	676674428	/nfs/dbraw/zinc/67/44/28/676674428.db2.gz	LZAISOQZFFZTRK-SSDOTTSWSA-N	-1	3	362.337	1.768	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)ccc1F	ZINC000131333598	525847684	/nfs/dbraw/zinc/84/76/84/525847684.db2.gz	YLPULQYWYGIOIV-TXEJJXNPSA-N	-1	3	356.419	1.539	10	30		FDEEHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000003873587	204113457	/nfs/dbraw/zinc/11/34/57/204113457.db2.gz	PPELJLBDXLMTEW-MRXNPFEDSA-N	-1	3	362.407	1.316	10	30		FDEEHM
N#CCN(CC#N)c1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040617944	205073854	/nfs/dbraw/zinc/07/38/54/205073854.db2.gz	CJWIQRFODAOWOK-UHFFFAOYSA-N	-1	3	354.286	1.890	10	30		FDEEHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C)C#N)cc(C3CC3)nc21	ZINC000068924768	521762082	/nfs/dbraw/zinc/76/20/82/521762082.db2.gz	GISXTBNNGHGNIA-SNVBAGLBSA-N	-1	3	355.398	1.260	10	30		FDEEHM
C[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000161385603	525098077	/nfs/dbraw/zinc/09/80/77/525098077.db2.gz	IQGDLQLGGUINAI-SECBINFHSA-N	-1	3	355.466	1.930	10	30		FDEEHM
C=C(C)CS(=O)(=O)[N-]c1nc2ccccc2n1CCN1CCOCC1	ZINC000223441059	672412744	/nfs/dbraw/zinc/41/27/44/672412744.db2.gz	GPZFSNYSMIRGDL-UHFFFAOYSA-N	-1	3	364.471	1.686	10	30		FDEEHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C)C#N)cc(C(C)C)nc21	ZINC000068924770	521762109	/nfs/dbraw/zinc/76/21/09/521762109.db2.gz	REEUZGBUSDJGAW-LLVKDONJSA-N	-1	3	357.414	1.506	10	30		FDEEHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c(C(F)(F)F)c1	ZINC000097013427	525168115	/nfs/dbraw/zinc/16/81/15/525168115.db2.gz	QZZKQDDKIYKNBA-LLVKDONJSA-N	-1	3	371.344	1.982	10	30		FDEEHM
C[C@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000125894422	525248867	/nfs/dbraw/zinc/24/88/67/525248867.db2.gz	LJJIKSRCLOWAOH-MRVPVSSYSA-N	-1	3	350.227	1.690	10	30		FDEEHM
CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000181729869	525909402	/nfs/dbraw/zinc/90/94/02/525909402.db2.gz	CZJNOJXYQOKGTP-CYBMUJFWSA-N	-1	3	363.418	1.706	10	30		FDEEHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCn3ccnc3C2)c(Cl)c1	ZINC000328633621	571325443	/nfs/dbraw/zinc/32/54/43/571325443.db2.gz	SQOAXPUPOLMDEE-LBPRGKRZSA-N	-1	3	350.831	1.949	10	30		FDEEHM
N/C(CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)=N/O	ZINC000054155930	208453902	/nfs/dbraw/zinc/45/39/02/208453902.db2.gz	ZOKBTGBORDTENH-UHFFFAOYSA-N	-1	3	356.629	1.517	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180108819	258362060	/nfs/dbraw/zinc/36/20/60/258362060.db2.gz	PLHSSELHVVJKCA-GFCCVEGCSA-N	-1	3	351.819	1.925	10	30		FDEEHM
CCOC(=O)C(=N[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)=O	ZINC000100206371	209210110	/nfs/dbraw/zinc/21/01/10/209210110.db2.gz	YKOKNVFFMXUXQA-OBGWFSINSA-N	-1	3	367.427	1.391	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000151215859	173393736	/nfs/dbraw/zinc/39/37/36/173393736.db2.gz	LOOGMRYUHGVMMV-QRWLVFNGSA-N	-1	3	357.454	1.950	10	30		FDEEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC2	ZINC000157597716	524304108	/nfs/dbraw/zinc/30/41/08/524304108.db2.gz	OMZBAAZAPWJYNR-JTQLQIEISA-N	-1	3	365.846	1.659	10	30		FDEEHM
CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(=O)OC	ZINC000160842480	524981234	/nfs/dbraw/zinc/98/12/34/524981234.db2.gz	HOTOYKPEXJAWMK-SECBINFHSA-N	-1	3	361.217	1.816	10	30		FDEEHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c(C(F)(F)F)c1	ZINC000097013429	525168134	/nfs/dbraw/zinc/16/81/34/525168134.db2.gz	QZZKQDDKIYKNBA-NSHDSACASA-N	-1	3	371.344	1.982	10	30		FDEEHM
CN(C)c1nc(CN(C)[C@@H]2CCN(c3cccc(F)c3C#N)C2)cc(=O)[n-]1	ZINC000275550651	522330121	/nfs/dbraw/zinc/33/01/21/522330121.db2.gz	FZAYZNNWPMUDSZ-CQSZACIVSA-N	-1	3	370.432	1.970	10	30		FDEEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000157809358	524344151	/nfs/dbraw/zinc/34/41/51/524344151.db2.gz	KNSIGUAKMKKCJD-ZDUSSCGKSA-N	-1	3	363.418	1.706	10	30		FDEEHM
Cc1cc(C)c2ncc(C#N)c(N3CCO[C@H](CN(C)CC(=O)[O-])C3)c2c1	ZINC000263377603	537025122	/nfs/dbraw/zinc/02/51/22/537025122.db2.gz	BRVYHNOIPFRBLL-MRXNPFEDSA-N	-1	3	368.437	1.945	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(S(=O)(=O)NCC=C)c(C)cc1Cl	ZINC000584614696	551524070	/nfs/dbraw/zinc/52/40/70/551524070.db2.gz	DJYNWZDWNOZIKG-UHFFFAOYSA-N	-1	3	364.876	1.577	10	30		FDEEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000157809206	524343472	/nfs/dbraw/zinc/34/34/72/524343472.db2.gz	KNSIGUAKMKKCJD-CYBMUJFWSA-N	-1	3	363.418	1.706	10	30		FDEEHM
COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000126600092	525331168	/nfs/dbraw/zinc/33/11/68/525331168.db2.gz	QBXCHAUEDAUQNL-GFCCVEGCSA-N	-1	3	365.390	1.249	10	30		FDEEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC2	ZINC000157597423	524304022	/nfs/dbraw/zinc/30/40/22/524304022.db2.gz	SCNOUHVMEPPLLI-LBPRGKRZSA-N	-1	3	365.846	1.659	10	30		FDEEHM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149223	536200373	/nfs/dbraw/zinc/20/03/73/536200373.db2.gz	WDZPPQRRPOPFJH-CVEARBPZSA-N	-1	3	368.430	1.950	10	30		FDEEHM
COC(=O)c1ccc([N-]c2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc1	ZINC000040617953	208258032	/nfs/dbraw/zinc/25/80/32/208258032.db2.gz	CYUTVUWMFOJAHI-UHFFFAOYSA-N	-1	3	367.325	1.769	10	30		FDEEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)CC#N	ZINC000111587016	524304749	/nfs/dbraw/zinc/30/47/49/524304749.db2.gz	JHGDNELZJFINON-JTQLQIEISA-N	-1	3	352.350	1.612	10	30		FDEEHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149206	536200290	/nfs/dbraw/zinc/20/02/90/536200290.db2.gz	WDZPPQRRPOPFJH-HZPDHXFCSA-N	-1	3	368.430	1.950	10	30		FDEEHM
CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000160812031	524974617	/nfs/dbraw/zinc/97/46/17/524974617.db2.gz	LPOJXYQPVMAERH-SECBINFHSA-N	-1	3	361.217	1.816	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180108803	258362154	/nfs/dbraw/zinc/36/21/54/258362154.db2.gz	PLHSSELHVVJKCA-LBPRGKRZSA-N	-1	3	351.819	1.925	10	30		FDEEHM
O=C(C(=NNc1c[nH]c(=O)[n-]c1=O)C(=O)c1ccccc1)c1ccccc1	ZINC000015921930	527663455	/nfs/dbraw/zinc/66/34/55/527663455.db2.gz	SOJVWYNGHHAJKQ-UHFFFAOYSA-N	-1	3	362.345	1.597	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1F	ZINC000077152859	523252509	/nfs/dbraw/zinc/25/25/09/523252509.db2.gz	CQQJTNPUDJAOIS-ZFWWWQNUSA-N	-1	3	370.446	1.571	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1F	ZINC000046220203	210060192	/nfs/dbraw/zinc/06/01/92/210060192.db2.gz	DCRPNCGBBPKKLX-FZMZJTMJSA-N	-1	3	356.419	1.587	10	30		FDEEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000125863991	173021019	/nfs/dbraw/zinc/02/10/19/173021019.db2.gz	KRHLAVRUEBGHHA-LBPRGKRZSA-N	-1	3	351.819	1.925	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000151215915	173394142	/nfs/dbraw/zinc/39/41/42/173394142.db2.gz	LOOGMRYUHGVMMV-MGPUTAFESA-N	-1	3	357.454	1.950	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccnn2C)CC1	ZINC000124633212	525036977	/nfs/dbraw/zinc/03/69/77/525036977.db2.gz	RHDXUWGPUBEOQA-UHFFFAOYSA-N	-1	3	367.453	1.936	10	30		FDEEHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCO[C@H](c2nccs2)C1	ZINC000330125435	676674400	/nfs/dbraw/zinc/67/44/00/676674400.db2.gz	LZAISOQZFFZTRK-ZETCQYMHSA-N	-1	3	362.337	1.768	10	30		FDEEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC2	ZINC000157597264	173622389	/nfs/dbraw/zinc/62/23/89/173622389.db2.gz	SCNOUHVMEPPLLI-GFCCVEGCSA-N	-1	3	365.846	1.659	10	30		FDEEHM
CN(CC(=O)[O-])C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCO1	ZINC000263419311	537029781	/nfs/dbraw/zinc/02/97/81/537029781.db2.gz	OYEGCIIESAXWQH-AWEZNQCLSA-N	-1	3	374.828	1.981	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F	ZINC000046220207	210060293	/nfs/dbraw/zinc/06/02/93/210060293.db2.gz	DCRPNCGBBPKKLX-SMDDNHRTSA-N	-1	3	356.419	1.587	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F	ZINC000152181649	671878618	/nfs/dbraw/zinc/87/86/18/671878618.db2.gz	SIGBKOJLCCVESL-KGLIPLIRSA-N	-1	3	356.419	1.323	10	30		FDEEHM
CCc1nc2n(n1)C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2	ZINC000114870336	524901640	/nfs/dbraw/zinc/90/16/40/524901640.db2.gz	KUNJCVCAMLWFGJ-CYBMUJFWSA-N	-1	3	368.441	1.081	10	30		FDEEHM
CC[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCN1CCOC	ZINC000117307021	525315899	/nfs/dbraw/zinc/31/58/99/525315899.db2.gz	XLTZVJDLSJXKSH-MRXNPFEDSA-N	-1	3	374.485	1.365	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000081450710	172189908	/nfs/dbraw/zinc/18/99/08/172189908.db2.gz	RDIOBHRYXHKNFE-CYBMUJFWSA-N	-1	3	361.442	1.985	10	30		FDEEHM
Cc1cc(N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)c(C#N)c(C)n1	ZINC000328624827	571138081	/nfs/dbraw/zinc/13/80/81/571138081.db2.gz	CQIKQILSEXCLQO-AWEZNQCLSA-N	-1	3	353.430	1.359	10	30		FDEEHM
CCOCCN1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@H]1C	ZINC000117281582	525301566	/nfs/dbraw/zinc/30/15/66/525301566.db2.gz	KBHBLPRHRQHCHT-CQSZACIVSA-N	-1	3	374.485	1.365	10	30		FDEEHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149165	536200268	/nfs/dbraw/zinc/20/02/68/536200268.db2.gz	WDZPPQRRPOPFJH-JKSUJKDBSA-N	-1	3	368.430	1.950	10	30		FDEEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC2	ZINC000184730083	258383602	/nfs/dbraw/zinc/38/36/02/258383602.db2.gz	WKDMASWFKJVUMA-NSHDSACASA-N	-1	3	365.846	1.659	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)ccc1F	ZINC000179248130	525547608	/nfs/dbraw/zinc/54/76/08/525547608.db2.gz	BMHCROZEMILZPZ-HIFRSBDPSA-N	-1	3	370.446	1.571	10	30		FDEEHM
CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000181729888	525910215	/nfs/dbraw/zinc/91/02/15/525910215.db2.gz	CZJNOJXYQOKGTP-ZDUSSCGKSA-N	-1	3	363.418	1.706	10	30		FDEEHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000081450709	172189392	/nfs/dbraw/zinc/18/93/92/172189392.db2.gz	RDIOBHRYXHKNFE-ZDUSSCGKSA-N	-1	3	361.442	1.985	10	30		FDEEHM
CCc1nnc(N=NCc2cc(Br)c([O-])c(OC)c2)n1N	ZINC000006489991	518372891	/nfs/dbraw/zinc/37/28/91/518372891.db2.gz	OUIHELAHNMUZEM-UHFFFAOYSA-N	-1	3	355.196	1.477	10	30		FDEEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)[C@@H](C)CC#N	ZINC000137000680	524224689	/nfs/dbraw/zinc/22/46/89/524224689.db2.gz	VZINACNKUNOKJP-NSHDSACASA-N	-1	3	366.377	1.955	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)ccc1F	ZINC000131333812	525846903	/nfs/dbraw/zinc/84/69/03/525846903.db2.gz	YLPULQYWYGIOIV-RYUDHWBXSA-N	-1	3	356.419	1.539	10	30		FDEEHM
N#Cc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1[O-]	ZINC000188765868	536944682	/nfs/dbraw/zinc/94/46/82/536944682.db2.gz	OBRCJGKRVXOGRM-SFHVURJKSA-N	-1	3	351.406	1.413	10	30		FDEEHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)C2)ccc1F	ZINC000171570023	526037963	/nfs/dbraw/zinc/03/79/63/526037963.db2.gz	OUNUXVVMMBNEKS-NSHDSACASA-N	-1	3	358.460	1.868	10	30		FDEEHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(Cn2cccn2)CC1	ZINC000330159403	676675861	/nfs/dbraw/zinc/67/58/61/676675861.db2.gz	QWJFTOPKQANHEE-UHFFFAOYSA-N	-1	3	357.340	1.846	10	30		FDEEHM