smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC000603919038	1067886086	/nfs/dbraw/zinc/88/60/86/1067886086.db2.gz	PICVFMCVRJGSIU-UHFFFAOYSA-N	-1	0	436.450	-1.390	20	30		IAEDRM
Cn1cc(S(=O)(=O)[N-]N=C(CNS(C)(=O)=O)c2ccccc2)c(=O)n(C)c1=O	ZINC000766713526	1068009845	/nfs/dbraw/zinc/00/98/45/1068009845.db2.gz	AROOJNUNUMNTHS-UHFFFAOYSA-N	-1	0	429.480	-1.684	20	30		IAEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000766977825	1068010849	/nfs/dbraw/zinc/01/08/49/1068010849.db2.gz	MNTIVERMVLUJRV-UHFFFAOYSA-N	-1	0	432.418	-1.181	20	30		IAEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000766989660	1068010819	/nfs/dbraw/zinc/01/08/19/1068010819.db2.gz	ZCBQMGNDCVYWJE-UHFFFAOYSA-N	-1	0	432.418	-1.181	20	30		IAEDRM
COc1nc(N)nc(N2CCCC2)c1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000771888168	1068014273	/nfs/dbraw/zinc/01/42/73/1068014273.db2.gz	AEAAMDGWGMCNEF-UHFFFAOYSA-N	-1	0	438.470	-1.623	20	30		IAEDRM
COC(=O)CCn1nc(C)c(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C	ZINC000771897282	1068013829	/nfs/dbraw/zinc/01/38/29/1068013829.db2.gz	LBGAAYOPXFZMGD-UHFFFAOYSA-N	-1	0	426.455	-1.227	20	30		IAEDRM
Cn1cc(S(=O)(=O)[N-]N=Cc2c(N3CCOCC3)nc3ccccn32)c(=O)n(C)c1=O	ZINC000771897512	1068014328	/nfs/dbraw/zinc/01/43/28/1068014328.db2.gz	ONWMNTUNIRIMQA-UHFFFAOYSA-N	-1	0	447.477	-1.119	20	30		IAEDRM
CNS(=O)(=O)c1cccc(C(C)=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000771897517	1068014007	/nfs/dbraw/zinc/01/40/07/1068014007.db2.gz	OSSVNUHHYTVDJX-UHFFFAOYSA-N	-1	0	429.480	-1.305	20	30		IAEDRM
Cn1cc(S(=O)(=O)[N-]N=C2c3cc4c(cc3NC2=O)OCCCO4)c(=O)n(C)c1=O	ZINC000771897624	1068014248	/nfs/dbraw/zinc/01/42/48/1068014248.db2.gz	PTWNMIKQAAIDLH-UHFFFAOYSA-N	-1	0	435.418	-1.120	20	30		IAEDRM
CNS(=O)(=O)c1ccc(C(C)=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000771898828	1068013931	/nfs/dbraw/zinc/01/39/31/1068013931.db2.gz	UCKILCSLPVTMNL-UHFFFAOYSA-N	-1	0	429.480	-1.305	20	30		IAEDRM
Cn1[n-]c(Br)c2c(=NCCNS(=O)(=O)N3CCO[C@H](C#N)C3)ncnc1-2	ZINC000800047740	1068148028	/nfs/dbraw/zinc/14/80/28/1068148028.db2.gz	QKCSTAQVWWTAPS-SECBINFHSA-N	-1	0	445.303	-1.030	20	30		IAEDRM
Cn1[n-]c(Br)c2c(=NCCNS(=O)(=O)N3CCO[C@@H](C#N)C3)ncnc1-2	ZINC000800047741	1068148658	/nfs/dbraw/zinc/14/86/58/1068148658.db2.gz	QKCSTAQVWWTAPS-VIFPVBQESA-N	-1	0	445.303	-1.030	20	30		IAEDRM
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(=O)n(C)c1=O	ZINC000807979122	1068031110	/nfs/dbraw/zinc/03/11/10/1068031110.db2.gz	MYSXBFOOCZDEJF-UHFFFAOYSA-N	-1	0	435.871	-1.303	20	30		IAEDRM
Cn1cc(S(=O)(=O)[N-]N=C2CCCc3ccc(S(N)(=O)=O)cc32)c(=O)n(C)c1=O	ZINC000811645725	1068034701	/nfs/dbraw/zinc/03/47/01/1068034701.db2.gz	WKOQNLAXFLCKOO-UHFFFAOYSA-N	-1	0	441.491	-1.250	20	30		IAEDRM
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(Cl)c(S(N)(=O)=O)c2)c(=O)n(C)c1=O	ZINC000814883247	1068036676	/nfs/dbraw/zinc/03/66/76/1068036676.db2.gz	GLAZUGTZXZAGLF-UHFFFAOYSA-N	-1	0	435.871	-1.303	20	30		IAEDRM
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C(=O)[O-])C(=O)OCC	ZINC001143429405	1067638268	/nfs/dbraw/zinc/63/82/68/1067638268.db2.gz	LJGRBFBBAQQMFG-UWVGGRQHSA-N	-1	0	435.455	-2.007	20	30		IAEDRM
CC1(C)[C@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])N2C(=O)C[C@H]2S1(=O)=O	ZINC001146265393	1068057926	/nfs/dbraw/zinc/05/79/26/1068057926.db2.gz	ODTRFEHRJZECSR-MXWKQRLJSA-N	-1	0	445.456	-1.337	20	30		IAEDRM
CC1(C)[C@H](C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])N2C(=O)C[C@H]2S1(=O)=O	ZINC001146265394	1068057910	/nfs/dbraw/zinc/05/79/10/1068057910.db2.gz	ODTRFEHRJZECSR-VWYCJHECSA-N	-1	0	445.456	-1.337	20	30		IAEDRM
CC(C)Oc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1C#N	ZINC001148780041	1068060633	/nfs/dbraw/zinc/06/06/33/1068060633.db2.gz	XAPMNTIUEJIGGY-DRXUAVOGSA-N	-1	0	446.434	-1.298	20	30		IAEDRM
CC(C)Oc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1C#N	ZINC001148780042	1068060519	/nfs/dbraw/zinc/06/05/19/1068060519.db2.gz	XAPMNTIUEJIGGY-IETPZCKNSA-N	-1	0	446.434	-1.298	20	30		IAEDRM
N#CC1(c2ccc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc2)CCOCC1	ZINC001161857260	1068388379	/nfs/dbraw/zinc/38/83/79/1068388379.db2.gz	CSQAFZSEFIUVNR-BTAUDXDXSA-N	-1	0	445.450	-1.308	20	30		IAEDRM
N#CC1(c2ccc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc2)CCOCC1	ZINC001161857280	1068388465	/nfs/dbraw/zinc/38/84/65/1068388465.db2.gz	CSQAFZSEFIUVNR-JPIRQXTESA-N	-1	0	445.450	-1.308	20	30		IAEDRM
N#Cc1cnc2cnc(Cl)cc2c1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001161857789	1068388732	/nfs/dbraw/zinc/38/87/32/1068388732.db2.gz	OPQSIXLEVYHPLH-WMESBKTJSA-N	-1	0	446.825	-1.384	20	30		IAEDRM
N#Cc1cnc2cnc(Cl)cc2c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001161857790	1068388693	/nfs/dbraw/zinc/38/86/93/1068388693.db2.gz	OPQSIXLEVYHPLH-YGARTUKASA-N	-1	0	446.825	-1.384	20	30		IAEDRM
CSc1nc(Cl)c(C#N)c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1	ZINC001161858315	1068389708	/nfs/dbraw/zinc/38/97/08/1068389708.db2.gz	RMUWLBRXEFEJIV-HUOUWLIASA-N	-1	0	442.859	-1.816	20	30		IAEDRM
CSc1nc(Cl)c(C#N)c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1	ZINC001161858316	1068389776	/nfs/dbraw/zinc/38/97/76/1068389776.db2.gz	RMUWLBRXEFEJIV-UYEZSENVSA-N	-1	0	442.859	-1.816	20	30		IAEDRM
CCOC(=O)c1cc(C)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1C#N	ZINC001161858559	1068390245	/nfs/dbraw/zinc/39/02/45/1068390245.db2.gz	WERQPUCVHXCLDI-WWRHJZOGSA-N	-1	0	447.422	-1.523	20	30		IAEDRM
CCOC(=O)c1cc(C)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1C#N	ZINC001161858561	1068390217	/nfs/dbraw/zinc/39/02/17/1068390217.db2.gz	WERQPUCVHXCLDI-ZPFNRVMVSA-N	-1	0	447.422	-1.523	20	30		IAEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1=O	ZINC001166383521	1068396374	/nfs/dbraw/zinc/39/63/74/1068396374.db2.gz	LCSNTNFKXNRMHE-INIZCTEOSA-N	-1	0	425.401	-1.081	20	30		IAEDRM
N#Cc1c[n-]c(=O)n(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1=O	ZINC001166383524	1068396470	/nfs/dbraw/zinc/39/64/70/1068396470.db2.gz	LCSNTNFKXNRMHE-MRXNPFEDSA-N	-1	0	425.401	-1.081	20	30		IAEDRM
CCOC(=O)CON=C(C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])c1cc[nH]n1	ZINC001177264282	1068067103	/nfs/dbraw/zinc/06/71/03/1068067103.db2.gz	ZQVYGBHCLXAYFG-YVZFFWDNSA-N	-1	0	449.424	-1.265	20	30		IAEDRM
N#Cc1c(N)nc(=NC2CC2)n(C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)c1N	ZINC001178366205	1068068689	/nfs/dbraw/zinc/06/86/89/1068068689.db2.gz	STKVMHRBNFWAIF-UHFFFAOYSA-N	-1	0	425.409	-1.202	20	30		IAEDRM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)CCC(=O)N1CCNC(=O)CC1	ZINC001180272886	1068073713	/nfs/dbraw/zinc/07/37/13/1068073713.db2.gz	FDWGSXBJVPHGMG-AWEZNQCLSA-N	-1	0	426.432	-1.342	20	30		IAEDRM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)CCC(=O)N1CCNC(=O)CC1	ZINC001180272887	1068073933	/nfs/dbraw/zinc/07/39/33/1068073933.db2.gz	FDWGSXBJVPHGMG-CQSZACIVSA-N	-1	0	426.432	-1.342	20	30		IAEDRM
N#Cc1cn(C2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)c(=O)[n-]c1=O	ZINC001180999742	1068076841	/nfs/dbraw/zinc/07/68/41/1068076841.db2.gz	DVZUYVZFJCYOEO-INIZCTEOSA-N	-1	0	430.465	-1.083	20	30		IAEDRM
N#Cc1cn(C2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)c(=O)[n-]c1=O	ZINC001180999743	1068076960	/nfs/dbraw/zinc/07/69/60/1068076960.db2.gz	DVZUYVZFJCYOEO-MRXNPFEDSA-N	-1	0	430.465	-1.083	20	30		IAEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001181205511	1068077832	/nfs/dbraw/zinc/07/78/32/1068077832.db2.gz	URQNWEVAYGROSR-KJWHEZOQSA-N	-1	0	446.434	-1.541	20	30		IAEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001181205645	1068077649	/nfs/dbraw/zinc/07/76/49/1068077649.db2.gz	URQNWEVAYGROSR-RYPNDVFKSA-N	-1	0	446.434	-1.541	20	30		IAEDRM
N#Cc1ccccc1C1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1	ZINC001183294567	1068085038	/nfs/dbraw/zinc/08/50/38/1068085038.db2.gz	NZVNKTMFPRBVDK-KJWHEZOQSA-N	-1	0	428.419	-1.667	20	30		IAEDRM
N#Cc1ccccc1C1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1	ZINC001183294570	1068084897	/nfs/dbraw/zinc/08/48/97/1068084897.db2.gz	NZVNKTMFPRBVDK-RYPNDVFKSA-N	-1	0	428.419	-1.667	20	30		IAEDRM
C=C(CC(=O)OCCCC)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001184315824	1068088569	/nfs/dbraw/zinc/08/85/69/1068088569.db2.gz	JRTMCQADOYTWBB-DECHUDPFSA-N	-1	0	427.428	-1.981	20	30		IAEDRM
C=C(CC(=O)OCCCC)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001184315826	1068088745	/nfs/dbraw/zinc/08/87/45/1068088745.db2.gz	JRTMCQADOYTWBB-RFNSYMJRSA-N	-1	0	427.428	-1.981	20	30		IAEDRM
N#Cc1ccc(F)c(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1	ZINC001190676593	1068113152	/nfs/dbraw/zinc/11/31/52/1068113152.db2.gz	HTMNOKHDPMZJFT-JOLIMNQDSA-N	-1	0	442.399	-2.397	20	30		IAEDRM
N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1	ZINC001190676598	1068112844	/nfs/dbraw/zinc/11/28/44/1068112844.db2.gz	HTMNOKHDPMZJFT-WECGXBHGSA-N	-1	0	442.399	-2.397	20	30		IAEDRM
CC(C)(C#N)c1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1	ZINC001190957569	1068113764	/nfs/dbraw/zinc/11/37/64/1068113764.db2.gz	XCZJKDKKNYJVKS-PAURTPPISA-N	-1	0	430.435	-1.155	20	30		IAEDRM
CC(C)(C#N)c1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1	ZINC001190957582	1068113950	/nfs/dbraw/zinc/11/39/50/1068113950.db2.gz	XCZJKDKKNYJVKS-UTGUJQJDSA-N	-1	0	430.435	-1.155	20	30		IAEDRM
C=CCCOc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1	ZINC001195142343	1068123121	/nfs/dbraw/zinc/12/31/21/1068123121.db2.gz	OLHAGTAJNZMRMS-DRXUAVOGSA-N	-1	0	433.435	-1.002	20	30		IAEDRM
C=CCCOc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1	ZINC001195142344	1068123183	/nfs/dbraw/zinc/12/31/83/1068123183.db2.gz	OLHAGTAJNZMRMS-IETPZCKNSA-N	-1	0	433.435	-1.002	20	30		IAEDRM
C=CCSc1ncccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001199746619	1068139144	/nfs/dbraw/zinc/13/91/44/1068139144.db2.gz	YWSRWGKLOMRPEM-ACVJOUTJSA-N	-1	0	436.464	-1.284	20	30		IAEDRM
C=CCSc1ncccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001199746631	1068139178	/nfs/dbraw/zinc/13/91/78/1068139178.db2.gz	YWSRWGKLOMRPEM-LEQHPZHVSA-N	-1	0	436.464	-1.284	20	30		IAEDRM
Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C#N	ZINC001201295632	1068139804	/nfs/dbraw/zinc/13/98/04/1068139804.db2.gz	WPZCGMNIBXGIRY-LSCFUAHRSA-N	-1	0	437.434	-1.426	20	30		IAEDRM
Cc1ccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1C#N	ZINC001201334788	1068139759	/nfs/dbraw/zinc/13/97/59/1068139759.db2.gz	FFVKBUUWFYLBNU-DHGKCCLASA-N	-1	0	438.436	-2.228	20	30		IAEDRM
Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1C#N	ZINC001201334796	1068139797	/nfs/dbraw/zinc/13/97/97/1068139797.db2.gz	FFVKBUUWFYLBNU-KSTCHIGDSA-N	-1	0	438.436	-2.228	20	30		IAEDRM
N#CC[C@H](N)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O	ZINC001218633354	1068403712	/nfs/dbraw/zinc/40/37/12/1068403712.db2.gz	RJDPQVGBJHKSNM-JRKXJUBOSA-N	-1	0	425.298	-1.220	20	30		IAEDRM
N#CC[C@H](N)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC001218633355	1068403577	/nfs/dbraw/zinc/40/35/77/1068403577.db2.gz	RJDPQVGBJHKSNM-NZXSHXEKSA-N	-1	0	425.298	-1.220	20	30		IAEDRM
C#CCOCCOCc1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1	ZINC001254088931	1068457376	/nfs/dbraw/zinc/45/73/76/1068457376.db2.gz	PMMQKUXFDVNEBN-UHFFFAOYSA-N	-1	0	428.442	-1.305	20	30		IAEDRM
N#Cc1cc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccc1F	ZINC001259422022	1068471643	/nfs/dbraw/zinc/47/16/43/1068471643.db2.gz	BYAGDSMEVHCCQV-SYLRKERUSA-N	-1	0	442.399	-2.397	20	30		IAEDRM
N#Cc1cc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccc1F	ZINC001259422023	1068471510	/nfs/dbraw/zinc/47/15/10/1068471510.db2.gz	BYAGDSMEVHCCQV-VEGXAWMVSA-N	-1	0	442.399	-2.397	20	30		IAEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC001260038454	1068475385	/nfs/dbraw/zinc/47/53/85/1068475385.db2.gz	HOBIBMCKCRVOOW-LSCFUAHRSA-N	-1	0	437.434	-1.593	20	30		IAEDRM
O=C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001260255444	1068476038	/nfs/dbraw/zinc/47/60/38/1068476038.db2.gz	IMBDENPOLKIKRV-LUTQBAROSA-N	-1	0	434.211	-1.352	20	30		IAEDRM
O=C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC001260910870	1068479702	/nfs/dbraw/zinc/47/97/02/1068479702.db2.gz	SVYJSXWHSYPWGL-LNFKQOIKSA-N	-1	0	434.211	-1.352	20	30		IAEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1	ZINC001464844246	1068581859	/nfs/dbraw/zinc/58/18/59/1068581859.db2.gz	KIWSKIUSWRKCPG-UHFFFAOYSA-N	-1	0	445.524	-1.093	20	30		IAEDRM
C#CCNC(=O)CN1CCN(C(=O)c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1	ZINC001467814504	1068583816	/nfs/dbraw/zinc/58/38/16/1068583816.db2.gz	MDCCCFPDKOFGOB-UHFFFAOYSA-N	-1	0	441.492	-1.386	20	30		IAEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1	ZINC001585049136	1068656745	/nfs/dbraw/zinc/65/67/45/1068656745.db2.gz	BTYOIWYOPJWKBW-UHFFFAOYSA-N	-1	0	431.497	-1.483	20	30		IAEDRM
C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1	ZINC001632960327	1068695059	/nfs/dbraw/zinc/69/50/59/1068695059.db2.gz	DTVLUIWRTVFVBF-UHFFFAOYSA-N	-1	0	430.508	-1.132	20	30		IAEDRM
N#C[C@@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CCO1	ZINC001662887092	1068716719	/nfs/dbraw/zinc/71/67/19/1068716719.db2.gz	WMNBGZDRAQZZRX-LLVKDONJSA-N	-1	0	435.450	-1.094	20	30		IAEDRM
N#C[C@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CCO1	ZINC001662887093	1068716925	/nfs/dbraw/zinc/71/69/25/1068716925.db2.gz	WMNBGZDRAQZZRX-NSHDSACASA-N	-1	0	435.450	-1.094	20	30		IAEDRM