smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=N/NS(=O)(=O)c2cc(OC)c(NC(C)=O)cc2OC)cc(Br)c1[O-]	ZINC000001660563	561679057	/nfs/dbraw/zinc/67/90/57/561679057.db2.gz	JTGLLZLWWMLONF-AWQFTUOYSA-N	-1	3	502.343	2.451	1	30		KEEFHM
CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N([O-])C=O	ZINC000003923974	561686265	/nfs/dbraw/zinc/68/62/65/561686265.db2.gz	FWJFNXPZKLJJSG-QYZOEREBSA-N	-1	3	554.674	2.046	1	30		KEEFHM
CCC[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N([O-])C=O	ZINC000003923978	561686250	/nfs/dbraw/zinc/68/62/50/561686250.db2.gz	LAQQWJARJKOYJJ-PBDJWPIDSA-N	-1	3	568.701	2.292	1	30		KEEFHM
CC(C)[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N([O-])C=O	ZINC000003923979	561686329	/nfs/dbraw/zinc/68/63/29/561686329.db2.gz	VNCIHKLPBWTDIP-PBDJWPIDSA-N	-1	3	568.701	2.147	1	30		KEEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000003939391	561688988	/nfs/dbraw/zinc/68/89/88/561688988.db2.gz	PNICWAPKRSLYIU-YCRPNKLZSA-N	-1	3	548.618	2.168	1	30		KEEFHM
COC1(OC)C[C@H](C)[C@@]23O[C@]24c2cc([O-])c5c(c2N[C@H]3C#C/C=C\C#C[C@@]41O)C(=O)c1ccccc1C5=O	ZINC000005741874	561697973	/nfs/dbraw/zinc/69/79/73/561697973.db2.gz	QFEWFWSZRWJSHW-HPCMTVGLSA-N	-1	3	509.514	2.263	1	30		KEEFHM
CN1C(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000013471928	561714052	/nfs/dbraw/zinc/71/40/52/561714052.db2.gz	ZAGFXXPMKXEROI-KRWDZBQOSA-N	-1	3	500.533	2.013	1	30		KEEFHM
CN1C(=O)N(C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000013471929	561714044	/nfs/dbraw/zinc/71/40/44/561714044.db2.gz	ZAGFXXPMKXEROI-QGZVFWFLSA-N	-1	3	500.533	2.013	1	30		KEEFHM
COC(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535565	561717852	/nfs/dbraw/zinc/71/78/52/561717852.db2.gz	TUQCTEPQYAMYIB-GOSISDBHSA-N	-1	3	515.382	2.476	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)NCC(C)C)C(=O)N[O-])cc1	ZINC000013535596	561717941	/nfs/dbraw/zinc/71/79/41/561717941.db2.gz	JDRVPGUNPRZNFR-HXUWFJFHSA-N	-1	3	521.592	2.041	1	30		KEEFHM
CCN(CC)C(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535604	561717842	/nfs/dbraw/zinc/71/78/42/561717842.db2.gz	LQVBVMXEHQRKTM-HXUWFJFHSA-N	-1	3	521.592	2.137	1	30		KEEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013553158	561718308	/nfs/dbraw/zinc/71/83/08/561718308.db2.gz	YSMSZPWEAVKTEN-VBKZILBWSA-N	-1	3	515.510	2.400	1	30		KEEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)[C@@H](C)[C@@H]2C(=O)N[O-])cc1	ZINC000013553166	561718304	/nfs/dbraw/zinc/71/83/04/561718304.db2.gz	GCDCQOTVUSLXRJ-PGRDOPGGSA-N	-1	3	504.609	2.261	1	30		KEEFHM
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000013587720	561720876	/nfs/dbraw/zinc/72/08/76/561720876.db2.gz	WWXZQIVISJRIMS-VXKWHMMOSA-N	-1	3	512.588	2.464	1	30		KEEFHM
CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013804692	561731189	/nfs/dbraw/zinc/73/11/89/561731189.db2.gz	QMHSEIOSCQWTPQ-QGZVFWFLSA-N	-1	3	505.435	2.262	1	30		KEEFHM
CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)[C@H](C(=O)N[O-])C1	ZINC000013804695	561731168	/nfs/dbraw/zinc/73/11/68/561731168.db2.gz	QMHSEIOSCQWTPQ-KRWDZBQOSA-N	-1	3	505.435	2.262	1	30		KEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1	ZINC000013840075	561734493	/nfs/dbraw/zinc/73/44/93/561734493.db2.gz	UBYOTOVAVIQPPX-NSHDSACASA-N	-1	3	505.290	2.284	1	30		KEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(I)cc1	ZINC000013863157	561734978	/nfs/dbraw/zinc/73/49/78/561734978.db2.gz	XFXSSAQBDZALBS-NSHDSACASA-N	-1	3	505.290	2.284	1	30		KEEFHM
Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)N4CCOCC4)C(=O)N[O-])C3=O)cc2)c2ccccc2n1	ZINC000026163488	561768859	/nfs/dbraw/zinc/76/88/59/561768859.db2.gz	YYHIIRGQRSUJIF-NOZRDPDXSA-N	-1	3	533.585	2.391	1	30		KEEFHM
CCCCC/C=C/C(=O)N([O-])CCCNC(=O)C[C@@]1(O)CC(=O)N(CCCN(O)C(=O)/C=C/CCCCC)C1=O	ZINC000026170937	561769915	/nfs/dbraw/zinc/76/99/15/561769915.db2.gz	YIXPVNQFVNFCIS-NVOUOZSNSA-N	-1	3	566.696	2.472	1	30		KEEFHM
CCCCC/C=C/C(=O)N([O-])CCCN1C(=O)C[C@](O)(CC(=O)NCCCN(O)C(=O)/C=C/CCCCC)C1=O	ZINC000026170937	561769914	/nfs/dbraw/zinc/76/99/14/561769914.db2.gz	YIXPVNQFVNFCIS-NVOUOZSNSA-N	-1	3	566.696	2.472	1	30		KEEFHM
CCCCC/C=C/C(=O)N([O-])CCCNC(=O)C[C@]1(O)CC(=O)N(CCCN(O)C(=O)/C=C/CCCCC)C1=O	ZINC000026170939	561769927	/nfs/dbraw/zinc/76/99/27/561769927.db2.gz	YIXPVNQFVNFCIS-HZJLQGBISA-N	-1	3	566.696	2.472	1	30		KEEFHM
CCCCC/C=C/C(=O)N([O-])CCCN1C(=O)C[C@@](O)(CC(=O)NCCCN(O)C(=O)/C=C/CCCCC)C1=O	ZINC000026170939	561769926	/nfs/dbraw/zinc/76/99/26/561769926.db2.gz	YIXPVNQFVNFCIS-HZJLQGBISA-N	-1	3	566.696	2.472	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(cc2)OCCCC[C@@H]1C(=O)N[O-]	ZINC000026181424	561771793	/nfs/dbraw/zinc/77/17/93/561771793.db2.gz	ANFAAJVPGXQKBB-NXCFDTQHSA-N	-1	3	588.727	2.067	1	30		KEEFHM
COC(=O)c1ccc(C(=O)NCC[C@H](C(=O)N[O-])N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000026183710	561772207	/nfs/dbraw/zinc/77/22/07/561772207.db2.gz	XMWVDKZJYHLPPS-HSZRJFAPSA-N	-1	3	599.618	2.096	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CNCc2ccc(NC(C)=O)cc2)C(=O)N[O-])cc1	ZINC000026185968	561772645	/nfs/dbraw/zinc/77/26/45/561772645.db2.gz	BTLHAVYKRJDJTO-XMMPIXPASA-N	-1	3	570.624	2.237	1	30		KEEFHM
CCOC(=O)NCCC[C@H](C(=O)N[O-])N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000026189060	561773215	/nfs/dbraw/zinc/77/32/15/561773215.db2.gz	MTQOMKAARRMNBW-LJQANCHMSA-N	-1	3	523.564	2.015	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCNC(=O)c2ccccc2)C(=O)N[O-])cc1	ZINC000026250205	561773932	/nfs/dbraw/zinc/77/39/32/561773932.db2.gz	REJYQXSMUHXQNK-JOCHJYFZSA-N	-1	3	541.582	2.309	1	30		KEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCCN1CCOCC1	ZINC000026281761	561779138	/nfs/dbraw/zinc/77/91/38/561779138.db2.gz	IWLYSDNBOSWMRQ-JWQCQUIFSA-N	-1	3	512.651	2.263	1	30		KEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1cccc2ccccc21)C(=O)NCCCN1CCOCC1	ZINC000026294448	561781135	/nfs/dbraw/zinc/78/11/35/561781135.db2.gz	UMZQUWRHZNAVMN-ILBGXUMGSA-N	-1	3	512.651	2.263	1	30		KEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(I)cc1	ZINC000026377159	561782324	/nfs/dbraw/zinc/78/23/24/561782324.db2.gz	XFXSSAQBDZALBS-LLVKDONJSA-N	-1	3	505.290	2.284	1	30		KEEFHM
Cc1ccc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1	ZINC000026392863	561786124	/nfs/dbraw/zinc/78/61/24/561786124.db2.gz	DGXRLXMZJHBYOU-IZLXSDGUSA-N	-1	3	601.789	2.239	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C(=O)N[O-])cc1	ZINC000026400314	561788092	/nfs/dbraw/zinc/78/80/92/561788092.db2.gz	DYTIQDSIFLTTTG-XMMPIXPASA-N	-1	3	611.677	2.013	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(Cc3ccncc3)CC2)C(=O)N[O-])cc1	ZINC000026404321	561789440	/nfs/dbraw/zinc/78/94/40/561789440.db2.gz	KDKAPGZYSCFRSI-AREMUKBSSA-N	-1	3	625.704	2.008	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)C(=O)N[O-])cc1	ZINC000026404513	561789605	/nfs/dbraw/zinc/78/96/05/561789605.db2.gz	AHANAQGIGHGBAJ-AREMUKBSSA-N	-1	3	638.699	2.254	1	30		KEEFHM
CCOC(=O)N1CCN(C(=O)CC[C@H](C(=O)N[O-])N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)cc(OC)c(C)c2C)CC1	ZINC000026404520	561789466	/nfs/dbraw/zinc/78/94/66/561789466.db2.gz	CMNKCJOQYZYEJJ-HSZRJFAPSA-N	-1	3	648.735	2.495	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(Cc3ccccn3)CC2)C(=O)N[O-])cc1	ZINC000026469929	561790292	/nfs/dbraw/zinc/79/02/92/561790292.db2.gz	FDUFBOHLKKZRMD-AREMUKBSSA-N	-1	3	625.704	2.008	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(Cc3cccnc3)CC2)C(=O)N[O-])cc1	ZINC000026471923	561790639	/nfs/dbraw/zinc/79/06/39/561790639.db2.gz	JJMMNKCHJVQCKI-AREMUKBSSA-N	-1	3	625.704	2.008	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OCC(=O)N[O-])cccc2C(=O)NO)cc1	ZINC000026472016	561790662	/nfs/dbraw/zinc/79/06/62/561790662.db2.gz	CBMKHOZXSARYNG-UHFFFAOYSA-N	-1	3	501.517	2.094	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)NCCC(C)C)C(=O)N[O-])cc1	ZINC000026482060	561791895	/nfs/dbraw/zinc/79/18/95/561791895.db2.gz	BXBHTQPGBBQOCV-OAQYLSRUSA-N	-1	3	535.619	2.431	1	30		KEEFHM
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC[C@@](C)(Cl)C=C1C)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026504261	561796233	/nfs/dbraw/zinc/79/62/33/561796233.db2.gz	POWIUHLJWHGFCD-RFZLVVEASA-N	-1	3	505.062	2.241	1	30		KEEFHM
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC[C@](C)(Cl)C=C1C)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026504264	561796257	/nfs/dbraw/zinc/79/62/57/561796257.db2.gz	POWIUHLJWHGFCD-SQIUQIIDSA-N	-1	3	505.062	2.241	1	30		KEEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000026506354	561796699	/nfs/dbraw/zinc/79/66/99/561796699.db2.gz	XJVDLTPBZMWREW-DUXKGJEZSA-N	-1	3	500.552	2.244	1	30		KEEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000026506359	561796653	/nfs/dbraw/zinc/79/66/53/561796653.db2.gz	XJVDLTPBZMWREW-JRGCBEDISA-N	-1	3	500.552	2.244	1	30		KEEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026571162	561798148	/nfs/dbraw/zinc/79/81/48/561798148.db2.gz	UNRMKSWOIFITGZ-DBOLQNLKSA-N	-1	3	565.718	2.255	1	30		KEEFHM
CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026571166	561798151	/nfs/dbraw/zinc/79/81/51/561798151.db2.gz	UNRMKSWOIFITGZ-SEVLPDGMSA-N	-1	3	565.718	2.255	1	30		KEEFHM
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO	ZINC000026573059	561798559	/nfs/dbraw/zinc/79/85/59/561798559.db2.gz	IBUUYYLRRDMAMG-QSGSBWRWSA-N	-1	3	509.437	2.376	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026577619	561801847	/nfs/dbraw/zinc/80/18/47/561801847.db2.gz	HHEMQCXGNMOOCD-VXNXHJTFSA-N	-1	3	561.680	2.421	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2C[C@H](C)C[C@H](C)C2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026577718	561802134	/nfs/dbraw/zinc/80/21/34/561802134.db2.gz	ADGMBIMDSMJUKJ-DNRDEDMTSA-N	-1	3	544.693	2.291	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2C[C@H](C)C[C@@H](C)C2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026577719	561802142	/nfs/dbraw/zinc/80/21/42/561802142.db2.gz	ADGMBIMDSMJUKJ-GWHUFFDTSA-N	-1	3	544.693	2.291	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026577720	561802167	/nfs/dbraw/zinc/80/21/67/561802167.db2.gz	ADGMBIMDSMJUKJ-ODXUMFNNSA-N	-1	3	544.693	2.291	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccc2O)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026578219	561802892	/nfs/dbraw/zinc/80/28/92/561802892.db2.gz	PXDDMUAOWOQQIS-HBMCJLEFSA-N	-1	3	520.627	2.010	1	30		KEEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000026578613	561803557	/nfs/dbraw/zinc/80/35/57/561803557.db2.gz	AQVWDVBVCMNHDC-GOSISDBHSA-N	-1	3	517.482	2.005	1	30		KEEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]2C(=O)N[O-])cc1	ZINC000026578614	561803566	/nfs/dbraw/zinc/80/35/66/561803566.db2.gz	AQVWDVBVCMNHDC-SFHVURJKSA-N	-1	3	517.482	2.005	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)Nc2ccccc2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579692	561805086	/nfs/dbraw/zinc/80/50/86/561805086.db2.gz	ITQMTHIQRRIASY-VXNXHJTFSA-N	-1	3	524.618	2.425	1	30		KEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCCC(C)(C)C2)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579996	561805378	/nfs/dbraw/zinc/80/53/78/561805378.db2.gz	CLTUQMSYJMRYDK-VXNXHJTFSA-N	-1	3	544.693	2.435	1	30		KEEFHM
CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000026640250	561806443	/nfs/dbraw/zinc/80/64/43/561806443.db2.gz	GGTLFMVYGXEWLQ-YAOOYPAMSA-N	-1	3	582.698	2.153	1	30		KEEFHM
COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000026646152	561807494	/nfs/dbraw/zinc/80/74/94/561807494.db2.gz	GYCHMCNDCKTYHI-UHFFFAOYSA-N	-1	3	569.640	2.403	1	30		KEEFHM
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1)N1CCNCC1	ZINC000026989852	561832372	/nfs/dbraw/zinc/83/23/72/561832372.db2.gz	DQLDJYJWPVFOFC-REUBFRLUSA-N	-1	3	704.747	2.376	1	30		KEEFHM
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3c(F)cccc3F)cc2)C(=O)N1)N1CCOCC1	ZINC000026996525	561833399	/nfs/dbraw/zinc/83/33/99/561833399.db2.gz	NMVSNTFENGJBJY-XFAFFCHDSA-N	-1	3	673.714	2.062	1	30		KEEFHM
NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1	ZINC000026997569	561833534	/nfs/dbraw/zinc/83/35/34/561833534.db2.gz	SOPDPCOBVSOXIM-ZDXQCDESSA-N	-1	3	635.640	2.429	1	30		KEEFHM
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)N1)N1CCNCC1	ZINC000026998005	561833682	/nfs/dbraw/zinc/83/36/82/561833682.db2.gz	QMTWRDGSYLQRRX-IARZGTGTSA-N	-1	3	704.747	2.376	1	30		KEEFHM
CCC[C@@H]([C@@H](Cc1ccc(C)s1)C(=O)N[C@@H](CCCNC(N)=NS(=O)(=O)c1ccccn1)C(=O)Nc1nccs1)N([O-])C=O	ZINC000027426724	561858521	/nfs/dbraw/zinc/85/85/21/561858521.db2.gz	VUYBRUBUOZYSQS-FSSWDIPSSA-N	-1	3	664.836	2.280	1	30		KEEFHM
COc1ccc(S(=O)(=O)Oc2ccc3c(c2)CN(S(=O)(=O)c2ccc(OC)cc2)[C@H](C(=O)N[O-])C3)cc1	ZINC000027518910	561862832	/nfs/dbraw/zinc/86/28/32/561862832.db2.gz	BXZZUNDHINECCH-QHCPKHFHSA-N	-1	3	548.595	2.093	1	30		KEEFHM
COc1ccc(S(=O)(=O)Oc2ccc3c(c2)CN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](C(=O)N[O-])C3)cc1	ZINC000027518911	561862819	/nfs/dbraw/zinc/86/28/19/561862819.db2.gz	BXZZUNDHINECCH-HSZRJFAPSA-N	-1	3	548.595	2.093	1	30		KEEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc3C[C@H]2C(=O)N[O-])cc1	ZINC000027519088	561862879	/nfs/dbraw/zinc/86/28/79/561862879.db2.gz	PNICWAPKRSLYIU-BTYIYWSLSA-N	-1	3	548.618	2.168	1	30		KEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[O-])C(C)(C)C	ZINC000027551249	561868061	/nfs/dbraw/zinc/86/80/61/561868061.db2.gz	UJIGCQOQCBITTE-IXDOHACOSA-N	-1	3	539.482	2.085	1	30		KEEFHM
CCCN([C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)S(=O)(=O)c1cccc2cccnc21	ZINC000027552085	561868206	/nfs/dbraw/zinc/86/82/06/561868206.db2.gz	ZXOOAKIFEZRGLL-WTIAFYNJSA-N	-1	3	563.721	2.449	1	30		KEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2c(cc1Br)nc(C)[nH]c2=O)C(=O)N[O-])C(C)(C)C	ZINC000027553633	561868810	/nfs/dbraw/zinc/86/88/10/561868810.db2.gz	VMGWEPZCVOOZNU-LSTHTHJFSA-N	-1	3	582.496	2.324	1	30		KEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1	ZINC000027556544	561869582	/nfs/dbraw/zinc/86/95/82/561869582.db2.gz	UBYOTOVAVIQPPX-LLVKDONJSA-N	-1	3	505.290	2.284	1	30		KEEFHM
COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](Cc3ccccc3)OCc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000027557265	561869874	/nfs/dbraw/zinc/86/98/74/561869874.db2.gz	NXRASPQMAAGLPZ-DFCKQENNSA-N	-1	3	553.637	2.277	1	30		KEEFHM
C[C@](O)(C(=O)N[O-])[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](O)c1ccccc1	ZINC000027903692	561891231	/nfs/dbraw/zinc/89/12/31/561891231.db2.gz	XCMRAHNFEHFBSX-DZNDNOMISA-N	-1	3	533.625	2.417	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccco3)C[C@@H]2C(=O)N[O-])cc1	ZINC000028376753	561919377	/nfs/dbraw/zinc/91/93/77/561919377.db2.gz	IVXFVTBAZBQGPK-JOCHJYFZSA-N	-1	3	509.540	2.407	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccco3)C[C@H]2C(=O)N[O-])cc1	ZINC000028376760	561919416	/nfs/dbraw/zinc/91/94/16/561919416.db2.gz	IVXFVTBAZBQGPK-QFIPXVFZSA-N	-1	3	509.540	2.407	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cccnc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000028381033	561920156	/nfs/dbraw/zinc/92/01/56/561920156.db2.gz	UCKDGXYIQSPPDL-XMMPIXPASA-N	-1	3	520.567	2.209	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cccnc3)C[C@H]2C(=O)N[O-])cc1	ZINC000028381040	561920128	/nfs/dbraw/zinc/92/01/28/561920128.db2.gz	UCKDGXYIQSPPDL-DEOSSOPVSA-N	-1	3	520.567	2.209	1	30		KEEFHM
CC(C)(C)OC(=O)NCCC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028571055	561939282	/nfs/dbraw/zinc/93/92/82/561939282.db2.gz	HKAXLEJIOVCYCD-IBGZPJMESA-N	-1	3	527.665	2.374	1	30		KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(OCC#CCN3CCOCC3)cc2)CCN(Cc2ccc(Br)cc2)CC1	ZINC000028634922	561940819	/nfs/dbraw/zinc/94/08/19/561940819.db2.gz	XKOVTPPNKADGLU-UHFFFAOYSA-N	-1	3	606.539	2.477	1	30		KEEFHM
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(F)CN2)c1)c1cc(Cl)cc(Br)c1	ZINC000028714316	561955010	/nfs/dbraw/zinc/95/50/10/561955010.db2.gz	NBSGEIIRYGEOKJ-GOSISDBHSA-N	-1	3	570.803	2.389	1	30		KEEFHM
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(F)CN2)c1)c1cc(Cl)cc(Cl)c1	ZINC000028714317	561954920	/nfs/dbraw/zinc/95/49/20/561954920.db2.gz	AEBLSZJRJOJQBT-GOSISDBHSA-N	-1	3	526.352	2.279	1	30		KEEFHM
CC(=O)N1CCC(C[C@H](C(=O)N[O-])[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1	ZINC000028755427	561955584	/nfs/dbraw/zinc/95/55/84/561955584.db2.gz	LVRXAQLWZKPFFI-ZJSPYRCASA-N	-1	3	509.603	2.096	1	30		KEEFHM
CCC(=O)N1CCC(C[C@H](C(=O)N[O-])[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1	ZINC000028756062	561955929	/nfs/dbraw/zinc/95/59/29/561955929.db2.gz	BBDXBWXBEFUKCK-RAKSCHNQSA-N	-1	3	523.630	2.486	1	30		KEEFHM
CCOC(=O)N1CCC([C@H](C(=O)N[O-])[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1	ZINC000028757121	561956735	/nfs/dbraw/zinc/95/67/35/561956735.db2.gz	LMEIQGFMYLKIMU-NGSHPTGOSA-N	-1	3	525.602	2.316	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)CC3CCCCC3)CC2)cc1	ZINC000028816869	561964355	/nfs/dbraw/zinc/96/43/55/561964355.db2.gz	DKLKUPISRVEUAG-UHFFFAOYSA-N	-1	3	526.677	2.360	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C3CCCCC3)CC2)cc1	ZINC000028816882	561964347	/nfs/dbraw/zinc/96/43/47/561964347.db2.gz	KVLYVSHQXNTARE-UHFFFAOYSA-N	-1	3	512.650	2.113	1	30		KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](OC(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nn[n-]n2)c3=O)n1	ZINC000028874168	561975046	/nfs/dbraw/zinc/97/50/46/561975046.db2.gz	RVJNIKFVEAWLQC-HXUWFJFHSA-O	-1	3	694.799	2.240	1	30	in-vitro	KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](OC(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nnn[n-]2)c3=O)n1	ZINC000028874168	561975044	/nfs/dbraw/zinc/97/50/44/561975044.db2.gz	RVJNIKFVEAWLQC-HXUWFJFHSA-O	-1	3	694.799	2.240	1	30	in-vitro	KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](CC(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nn[n-]n2)c3=O)n1	ZINC000028874180	561975099	/nfs/dbraw/zinc/97/50/99/561975099.db2.gz	QWFJRLBPTOAJDW-FQEVSTJZSA-O	-1	3	692.827	2.268	1	30		KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC[C@@H](CC(=O)NCC[N+](C)(C)CC(=O)[O-])C2)c(C=Cc2nnn[n-]2)c3=O)n1	ZINC000028874180	561975097	/nfs/dbraw/zinc/97/50/97/561975097.db2.gz	QWFJRLBPTOAJDW-FQEVSTJZSA-O	-1	3	692.827	2.268	1	30		KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(=O)c(C=Cc4nn[n-]n4)c(N4CCC/C(=C\C(=O)NCC[N+](C)(C)CC(=O)[O-])C4)nc3c2)n1	ZINC000028874185	561975086	/nfs/dbraw/zinc/97/50/86/561975086.db2.gz	SPBOTJGGDWYGAD-HMMYKYKNSA-O	-1	3	690.811	2.188	1	30		KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(=O)c(C=Cc4nnn[n-]4)c(N4CCC/C(=C\C(=O)NCC[N+](C)(C)CC(=O)[O-])C4)nc3c2)n1	ZINC000028874185	561975085	/nfs/dbraw/zinc/97/50/85/561975085.db2.gz	SPBOTJGGDWYGAD-HMMYKYKNSA-O	-1	3	690.811	2.188	1	30		KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC(OC(=O)NCC[N+](C)(C)CC(=O)[O-])CC2)c(C=Cc2nn[n-]n2)c3=O)n1	ZINC000028874188	561975063	/nfs/dbraw/zinc/97/50/63/561975063.db2.gz	IAMMBYNZIOODOG-UHFFFAOYSA-O	-1	3	694.799	2.240	1	30		KEEFHM
CC(C)(C)c1csc(NC(=O)c2ccn3c(c2)nc(N2CCC(OC(=O)NCC[N+](C)(C)CC(=O)[O-])CC2)c(C=Cc2nnn[n-]2)c3=O)n1	ZINC000028874188	561975061	/nfs/dbraw/zinc/97/50/61/561975061.db2.gz	IAMMBYNZIOODOG-UHFFFAOYSA-O	-1	3	694.799	2.240	1	30		KEEFHM
C[C@]1(CCCO)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882737	561977263	/nfs/dbraw/zinc/97/72/63/561977263.db2.gz	AZVSYHOGIXLMKS-QFIPXVFZSA-N	-1	3	505.574	2.153	1	30		KEEFHM
C[C@]1(CCCO)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882737	561977261	/nfs/dbraw/zinc/97/72/61/561977261.db2.gz	AZVSYHOGIXLMKS-QFIPXVFZSA-N	-1	3	505.574	2.153	1	30		KEEFHM
C[C@@]1(CCCO)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882743	561977220	/nfs/dbraw/zinc/97/72/20/561977220.db2.gz	AZVSYHOGIXLMKS-JOCHJYFZSA-N	-1	3	505.574	2.153	1	30		KEEFHM
C[C@@]1(CCCO)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882743	561977218	/nfs/dbraw/zinc/97/72/18/561977218.db2.gz	AZVSYHOGIXLMKS-JOCHJYFZSA-N	-1	3	505.574	2.153	1	30		KEEFHM
CS(=O)(=O)N(C[C@@H](C(=O)N[O-])N1CCOCC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1	ZINC000029039852	561990240	/nfs/dbraw/zinc/99/02/40/561990240.db2.gz	HMSHXTUFXMZOJG-IBGZPJMESA-N	-1	3	503.499	2.470	1	30		KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@H]3CCOC3)CC2)CC1	ZINC000029039864	561990194	/nfs/dbraw/zinc/99/01/94/561990194.db2.gz	OJSMIPQPXMBSTI-FQEVSTJZSA-N	-1	3	509.625	2.017	1	30		KEEFHM
CC(=O)N1CCN([C@@H](CN(c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)S(C)(=O)=O)C(=O)N[O-])CC1	ZINC000029039868	561990229	/nfs/dbraw/zinc/99/02/29/561990229.db2.gz	ZJGVSDUUDCVLEO-NRFANRHFSA-N	-1	3	544.552	2.302	1	30		KEEFHM
Cc1cc(F)ccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@H]3CCOC3)CC2)CC1	ZINC000029039878	561990278	/nfs/dbraw/zinc/99/02/78/561990278.db2.gz	QVJFNCBRJKNUCE-FQEVSTJZSA-N	-1	3	527.615	2.156	1	30		KEEFHM
Cc1cc(C2CCN(S(=O)(=O)CC3(C(=O)N[O-])CCN(C(=O)O[C@H]4CCOC4)CC3)CC2)cc(C)c1C#N	ZINC000029039910	561990247	/nfs/dbraw/zinc/99/02/47/561990247.db2.gz	REAAGXUAXYMPTM-QFIPXVFZSA-N	-1	3	548.662	2.197	1	30		KEEFHM
Cc1cc(C)cc(C2CCN(S(=O)(=O)CC3(C(=O)N[O-])CCN(C(=O)O[C@H]4CCOC4)CC3)CC2)c1	ZINC000029039919	561990200	/nfs/dbraw/zinc/99/02/00/561990200.db2.gz	ANOPQMHOFNTJCB-QFIPXVFZSA-N	-1	3	523.652	2.326	1	30		KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@@]3(C)CCOC3)CC2)CC1	ZINC000029040043	561990379	/nfs/dbraw/zinc/99/03/79/561990379.db2.gz	CTRWITLGGIGPOB-DEOSSOPVSA-N	-1	3	523.652	2.407	1	30		KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@]3(C)CCOC3)CC2)CC1	ZINC000029040046	561990441	/nfs/dbraw/zinc/99/04/41/561990441.db2.gz	CTRWITLGGIGPOB-XMMPIXPASA-N	-1	3	523.652	2.407	1	30		KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000029040077	561990358	/nfs/dbraw/zinc/99/03/58/561990358.db2.gz	JRYQAIVHIZIBOQ-FCHUYYIVSA-N	-1	3	523.652	2.142	1	30	in-vitro	KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@H]3CCC[C@@H]3O)CC2)CC1	ZINC000029040079	561990431	/nfs/dbraw/zinc/99/04/31/561990431.db2.gz	JRYQAIVHIZIBOQ-VXKWHMMOSA-N	-1	3	523.652	2.142	1	30	in-vitro	KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000029040081	561990409	/nfs/dbraw/zinc/99/04/09/561990409.db2.gz	JRYQAIVHIZIBOQ-FGZHOGPDSA-N	-1	3	523.652	2.142	1	30	in-vitro	KEEFHM
Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)O[C@H]3CCC[C@H]3O)CC2)CC1	ZINC000029040084	561990413	/nfs/dbraw/zinc/99/04/13/561990413.db2.gz	JRYQAIVHIZIBOQ-YADHBBJMSA-N	-1	3	523.652	2.142	1	30	in-vitro	KEEFHM
O=C(CCCCCC(=O)N(CC(=O)Nc1ccc2n[nH]cc2c1)CC(=O)Nc1ccc2n[nH]cc2c1)N[O-]	ZINC000029133404	562003659	/nfs/dbraw/zinc/00/36/59/562003659.db2.gz	RXZWNENIWFABET-UHFFFAOYSA-N	-1	3	520.550	2.301	1	30		KEEFHM
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCCCO[C@H](C(=O)N[O-])[C@@H](CCCc2ccccc2)C(=O)N1	ZINC000029227584	562008625	/nfs/dbraw/zinc/00/86/25/562008625.db2.gz	KXPIKWNUKVNKRA-ZNZIZOMTSA-N	-1	3	588.727	2.012	1	30		KEEFHM
CCOc1cc(COc2ccc3c(c2)NCCN([C@H](CCC(=O)OC)C(=O)N[O-])S3(=O)=O)cc(OCC)c1	ZINC000029488588	562028997	/nfs/dbraw/zinc/02/89/97/562028997.db2.gz	HTAGYDAMQNRLDD-JOCHJYFZSA-N	-1	3	551.618	2.306	1	30		KEEFHM
Cc1cc(COc2ccc(C(=O)NCC3(C(=O)N[O-])CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1	ZINC000034315450	562038677	/nfs/dbraw/zinc/03/86/77/562038677.db2.gz	WIFSQEZIILGJQU-UHFFFAOYSA-N	-1	3	526.615	2.399	1	30		KEEFHM
CCCCCCCC(=O)O[C@@H]1C(=O)C(C)=C2C1[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCCC(=O)[O-])[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O	ZINC000036179091	562049955	/nfs/dbraw/zinc/04/99/55/562049955.db2.gz	VZPDVMPOJYCQAZ-KQLDMIQDSA-N	-1	3	610.653	2.074	1	30		KEEFHM
CC(C)CC[C@]1(C)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccnn21	ZINC000043061151	562645183	/nfs/dbraw/zinc/64/51/83/562645183.db2.gz	FONOCVHQLNNDAR-OAQYLSRUSA-N	-1	3	507.594	2.471	1	30		KEEFHM
CC(C)CC[C@@]1(C)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccnn21	ZINC000043061154	562645212	/nfs/dbraw/zinc/64/52/12/562645212.db2.gz	FONOCVHQLNNDAR-NRFANRHFSA-N	-1	3	507.594	2.471	1	30		KEEFHM
CC(C)CC[C@]1(C)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2cncn21	ZINC000043069552	562645473	/nfs/dbraw/zinc/64/54/73/562645473.db2.gz	GBZMSZMGVDUDMZ-OAQYLSRUSA-N	-1	3	507.594	2.471	1	30		KEEFHM
CCCCCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000043587205	562649997	/nfs/dbraw/zinc/64/99/97/562649997.db2.gz	KEJZGUPEPIHGEE-BVSLBCMMSA-N	-1	3	501.628	2.108	1	30		KEEFHM
CCCCCCCC[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000043587207	562649993	/nfs/dbraw/zinc/64/99/93/562649993.db2.gz	KEJZGUPEPIHGEE-HJNYFJLDSA-N	-1	3	501.628	2.108	1	30		KEEFHM
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N3CCC3)C(=C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(=O)N[O-])C2=O	ZINC000044018286	562651485	/nfs/dbraw/zinc/65/14/85/562651485.db2.gz	QBXXQEHCRQACOI-ZOMYCCNSSA-N	-1	3	601.697	2.488	1	30		KEEFHM
CCCCCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000044265332	562652803	/nfs/dbraw/zinc/65/28/03/562652803.db2.gz	CRZZUGFLFJSFTP-BVSLBCMMSA-N	-1	3	501.628	2.108	1	30		KEEFHM
CCCCCCCC[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000044265336	562652829	/nfs/dbraw/zinc/65/28/29/562652829.db2.gz	CRZZUGFLFJSFTP-NNWRFLSQSA-N	-1	3	501.628	2.108	1	30		KEEFHM
CC(C)[C@H](C(=O)N[O-])N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000044417816	562657197	/nfs/dbraw/zinc/65/71/97/562657197.db2.gz	GSWRTFGMHRKLKT-AREMUKBSSA-N	-1	3	604.707	2.006	1	30		KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)cc2)CCOCC1	ZINC000049036061	562663580	/nfs/dbraw/zinc/66/35/80/562663580.db2.gz	ISXZSJVTKFNYSR-UHFFFAOYSA-N	-1	3	527.643	2.316	1	30		KEEFHM
Cn1cc(/C=C2\Oc3cccc([O-])c3C2=O)c2c1nccc2N1CCC(C(=O)N2CCN(CCO)CC2)CC1	ZINC000049071845	562664223	/nfs/dbraw/zinc/66/42/23/562664223.db2.gz	LRWLSMIVBWZTPN-ULJHMMPZSA-N	-1	3	531.613	2.248	1	30		KEEFHM
COc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCN(C5CC5)CC4)cc3)CC2)cc1	ZINC000049111366	562664577	/nfs/dbraw/zinc/66/45/77/562664577.db2.gz	HMVRHAWMVBUIKM-UHFFFAOYSA-N	-1	3	514.648	2.298	1	30		KEEFHM
CC#CCOc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCN2C(=O)c3ccccc3C2=O)C(=O)N[O-])cc1	ZINC000049126000	562664823	/nfs/dbraw/zinc/66/48/23/562664823.db2.gz	WMJKIJLFVOMJDF-HSZRJFAPSA-N	-1	3	527.599	2.296	1	30		KEEFHM
CC(C)C[C@H](NC(=O)c1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H](C=NN1CC(=O)[N-]C1=O)CCc1ccccc1	ZINC000049605440	562665873	/nfs/dbraw/zinc/66/58/73/562665873.db2.gz	ZZQFCTHKVJGIEI-ZXZCLKFNSA-N	-1	3	606.724	2.197	1	30		KEEFHM
CCCCC[C@H]1NC(=O)[C@H](CCCCCC(=O)N[O-])NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O	ZINC000049746063	562674245	/nfs/dbraw/zinc/67/42/45/562674245.db2.gz	IYOLVIFIJXUYFW-CLAROIROSA-N	-1	3	537.702	2.062	1	30		KEEFHM
COc1ccccc1N1CCN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)CC1	ZINC000049777053	562679617	/nfs/dbraw/zinc/67/96/17/562679617.db2.gz	XSEREZCRIQFANN-UHFFFAOYSA-N	-1	3	586.711	2.089	1	30		KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)cc2)CCOCC1	ZINC000049777160	562679716	/nfs/dbraw/zinc/67/97/16/562679716.db2.gz	FQMDDNHJAAIYKQ-UHFFFAOYSA-N	-1	3	574.675	2.219	1	30		KEEFHM
CC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)N[O-])CCOCC5)cc4)CC3)CC2)cc1	ZINC000049777257	562679827	/nfs/dbraw/zinc/67/98/27/562679827.db2.gz	DGNSDTQNQWONIY-UHFFFAOYSA-N	-1	3	598.722	2.283	1	30		KEEFHM
COCCN1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC1	ZINC000049777275	562679865	/nfs/dbraw/zinc/67/98/65/562679865.db2.gz	WVNVANHURONWTG-UHFFFAOYSA-N	-1	3	544.674	2.302	1	30		KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCN(CCc5ccccc5)CC4)CC3)cc2)CCOCC1	ZINC000049777357	562679928	/nfs/dbraw/zinc/67/99/28/562679928.db2.gz	QJQSFVGRKOULTN-UHFFFAOYSA-N	-1	3	584.739	2.118	1	30		KEEFHM
COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC1)CC2	ZINC000049777970	562680775	/nfs/dbraw/zinc/68/07/75/562680775.db2.gz	SAXMIJMROZDLCS-UHFFFAOYSA-N	-1	3	587.695	2.333	1	30		KEEFHM
CN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[O-]	ZINC000049780497	562681841	/nfs/dbraw/zinc/68/18/41/562681841.db2.gz	SEPJJYNYJOZSET-ULNSLHSMSA-N	-1	3	628.686	2.255	1	30		KEEFHM
CC1=C(CCCCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2Sc2ccccc2)C(=O)c2c([O-])cccc2C1=O	ZINC000049780974	562682542	/nfs/dbraw/zinc/68/25/42/562682542.db2.gz	HXNLIDZRYOFVCO-JKFDDXDISA-N	-1	3	541.622	2.364	1	30		KEEFHM
CCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000049781178	562682773	/nfs/dbraw/zinc/68/27/73/562682773.db2.gz	FCMIFTNGEKWZNE-KCHLEUMXSA-N	-1	3	639.754	2.283	1	30		KEEFHM
CCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000049781178	562682772	/nfs/dbraw/zinc/68/27/72/562682772.db2.gz	FCMIFTNGEKWZNE-KCHLEUMXSA-N	-1	3	639.754	2.283	1	30		KEEFHM
O=C(CCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)N[O-]	ZINC000049784883	562683847	/nfs/dbraw/zinc/68/38/47/562683847.db2.gz	DAMGSDKDFKQTGM-GCXHJFECSA-N	-1	3	655.756	2.349	1	30		KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)cc2)CCOCC1	ZINC000049793599	562685006	/nfs/dbraw/zinc/68/50/06/562685006.db2.gz	JKMQHCXIFJQOMJ-UHFFFAOYSA-N	-1	3	574.675	2.219	1	30		KEEFHM
CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H]([C@@H](C)O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N(C)[C@@H]1C(=O)[O-]	ZINC000049841498	562688406	/nfs/dbraw/zinc/68/84/06/562688406.db2.gz	UBFRXWDTHHGYNU-DYHZPOLJSA-N	-1	3	615.809	2.416	1	30		KEEFHM
CN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[O-]	ZINC000049863840	562689321	/nfs/dbraw/zinc/68/93/21/562689321.db2.gz	SEPJJYNYJOZSET-AWCRTANDSA-N	-1	3	628.686	2.255	1	30	in-vitro	KEEFHM
CC(C)CC[C@]1(NC(N)=O)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049878423	562690612	/nfs/dbraw/zinc/69/06/12/562690612.db2.gz	NPDWTYOJVFNYFH-DEOSSOPVSA-N	-1	3	561.642	2.423	1	30		KEEFHM
CC(C)CC[C@@]1(NC(N)=O)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049878424	562690616	/nfs/dbraw/zinc/69/06/16/562690616.db2.gz	NPDWTYOJVFNYFH-XMMPIXPASA-N	-1	3	561.642	2.423	1	30		KEEFHM
CC(C)CC[C@@]1([N-]S(C)(=O)=O)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000049878749	562690765	/nfs/dbraw/zinc/69/07/65/562690765.db2.gz	HAMYOXVAZARZDZ-XMMPIXPASA-N	-1	3	596.709	2.304	1	30		KEEFHM
CC(C)CC[C@]1([N-]S(C)(=O)=O)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000049879121	562690762	/nfs/dbraw/zinc/69/07/62/562690762.db2.gz	HAMYOXVAZARZDZ-DEOSSOPVSA-N	-1	3	596.709	2.304	1	30		KEEFHM
C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc([O-])c(I)c2)C(=O)N[C@@H](C)C(=O)O[C@@H](C)C[C@@H](C)C1=O	ZINC000049881444	562690797	/nfs/dbraw/zinc/69/07/97/562690797.db2.gz	JGALXBSQYGEYPE-BFGKGAQZSA-N	-1	3	655.530	2.499	1	30		KEEFHM
CN(C)c1cccc2c1cccc2S(=O)(=O)NC[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)N[O-]	ZINC000049881508	562690856	/nfs/dbraw/zinc/69/08/56/562690856.db2.gz	CZJNIILYDQDLMZ-QFIPXVFZSA-N	-1	3	585.708	2.256	1	30		KEEFHM
CN(C)c1cccc2c1cccc2S(=O)(=O)NC[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)N[O-]	ZINC000049881509	562690859	/nfs/dbraw/zinc/69/08/59/562690859.db2.gz	CZJNIILYDQDLMZ-JOCHJYFZSA-N	-1	3	585.708	2.256	1	30		KEEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1	ZINC000049881859	562691167	/nfs/dbraw/zinc/69/11/67/562691167.db2.gz	CXZHJWRHSTZNHB-UHFFFAOYSA-N	-1	3	533.628	2.196	1	30		KEEFHM
O=C(N[O-])[C@H](CCCCNS(=O)(=O)c1ccc(I)cc1)NS(=O)(=O)c1ccc(I)cc1	ZINC000049881946	562691318	/nfs/dbraw/zinc/69/13/18/562691318.db2.gz	MTSBODCUBIWEJX-KRWDZBQOSA-N	-1	3	693.323	2.197	1	30		KEEFHM
O=C(N[O-])[C@H](CCCNS(=O)(=O)c1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1	ZINC000049888672	562691358	/nfs/dbraw/zinc/69/13/58/562691358.db2.gz	MTAQTXQYHQORQK-INIZCTEOSA-N	-1	3	585.296	2.123	1	30		KEEFHM
CC(C)CC[C@@]1(C)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2cncn21	ZINC000052567218	562695888	/nfs/dbraw/zinc/69/58/88/562695888.db2.gz	GBZMSZMGVDUDMZ-NRFANRHFSA-N	-1	3	507.594	2.471	1	30		KEEFHM
CC(=O)O[C@@H]1CO[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000053243290	562696814	/nfs/dbraw/zinc/69/68/14/562696814.db2.gz	KGZLFYWJSOXVFT-BDRZGKIISA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)O[C@@H]1CO[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000053243290	562696813	/nfs/dbraw/zinc/69/68/13/562696813.db2.gz	KGZLFYWJSOXVFT-BDRZGKIISA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053243863	562696826	/nfs/dbraw/zinc/69/68/26/562696826.db2.gz	YIAAMIPBUABOFP-ZGRQWDIUSA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053243863	562696825	/nfs/dbraw/zinc/69/68/25/562696825.db2.gz	YIAAMIPBUABOFP-ZGRQWDIUSA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053294565	562697265	/nfs/dbraw/zinc/69/72/65/562697265.db2.gz	YIAAMIPBUABOFP-ZMFAMYDGSA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053294565	562697264	/nfs/dbraw/zinc/69/72/64/562697264.db2.gz	YIAAMIPBUABOFP-ZMFAMYDGSA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@@H]1O[C@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000053295728	562697349	/nfs/dbraw/zinc/69/73/49/562697349.db2.gz	YIAAMIPBUABOFP-OVWQJMNTSA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@@H]1O[C@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000053295728	562697348	/nfs/dbraw/zinc/69/73/48/562697348.db2.gz	YIAAMIPBUABOFP-OVWQJMNTSA-N	-1	3	546.525	2.296	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053297775	562697492	/nfs/dbraw/zinc/69/74/92/562697492.db2.gz	WYMJSXOUNSQJDX-ZRJGAARYSA-N	-1	3	618.588	2.228	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053297775	562697491	/nfs/dbraw/zinc/69/74/91/562697491.db2.gz	WYMJSXOUNSQJDX-ZRJGAARYSA-N	-1	3	618.588	2.228	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053298717	562697520	/nfs/dbraw/zinc/69/75/20/562697520.db2.gz	WYMJSXOUNSQJDX-HAYQXXOZSA-N	-1	3	618.588	2.228	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000053298717	562697519	/nfs/dbraw/zinc/69/75/19/562697519.db2.gz	WYMJSXOUNSQJDX-HAYQXXOZSA-N	-1	3	618.588	2.228	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000053312276	562697559	/nfs/dbraw/zinc/69/75/59/562697559.db2.gz	WYMJSXOUNSQJDX-GUZBCREASA-N	-1	3	618.588	2.228	1	30		KEEFHM
CC(=O)OC[C@H]1O[C@@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000053312276	562697558	/nfs/dbraw/zinc/69/75/58/562697558.db2.gz	WYMJSXOUNSQJDX-GUZBCREASA-N	-1	3	618.588	2.228	1	30		KEEFHM
CCC[C@@H]([C@@H](CC(C)C)C(=O)C[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1nccs1)N([O-])C=O	ZINC000056819259	562697814	/nfs/dbraw/zinc/69/78/14/562697814.db2.gz	ACJNCWMWJYWHSQ-ZACQAIPSSA-N	-1	3	513.621	2.212	1	30		KEEFHM
CCOC(=O)[C@H](N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(OC)cc1)C(C)C	ZINC000058591576	562700479	/nfs/dbraw/zinc/70/04/79/562700479.db2.gz	SRZFHVGXJUGEDL-HWESERNWSA-N	-1	3	504.473	2.402	1	30		KEEFHM
CCOC(=O)[C@H](N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(OC)cc1)C(C)C	ZINC000064373508	562704897	/nfs/dbraw/zinc/70/48/97/562704897.db2.gz	SRZFHVGXJUGEDL-UYQDBEJSSA-N	-1	3	504.473	2.402	1	30		KEEFHM
COc1c2ccc(C[NH2+]CC(C)C)cc2c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000071294672	562716989	/nfs/dbraw/zinc/71/69/89/562716989.db2.gz	IBQDWMMFUHBACY-YGXFHNANSA-N	-1	3	579.650	2.028	1	30		KEEFHM
COc1c2ccc(C[NH2+]C(C)(C)C)cc2c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000071295371	562717205	/nfs/dbraw/zinc/71/72/05/562717205.db2.gz	MAKZETRQDADTPR-VAVHTVFJSA-N	-1	3	579.650	2.171	1	30		KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(OCCCc3nnnn3-c3ccc(OC(F)(F)F)cc3)cc2)CCOCC1	ZINC000071334487	562719570	/nfs/dbraw/zinc/71/95/70/562719570.db2.gz	UAFRGDNTZQMZFA-UHFFFAOYSA-N	-1	3	571.534	2.401	1	30		KEEFHM
CN(C)c1ccc(NC(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)cc1	ZINC000071335367	562719679	/nfs/dbraw/zinc/71/96/79/562719679.db2.gz	WWVWMBFCEZHXFR-UHFFFAOYSA-N	-1	3	505.593	2.379	1	30		KEEFHM
COCCN1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)CC1	ZINC000071341734	562720011	/nfs/dbraw/zinc/72/00/11/562720011.db2.gz	MTRATHZFTCSGDT-UHFFFAOYSA-N	-1	3	628.630	2.468	1	30	in-vitro	KEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(CCO)CC1	ZINC000072107299	562721211	/nfs/dbraw/zinc/72/12/11/562721211.db2.gz	OMFMQXSBXJDRCB-UHFFFAOYSA-N	-1	3	504.483	2.484	1	30		KEEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)[C@@H](N)Cc2ccccc2)cc1	ZINC000072120585	562724094	/nfs/dbraw/zinc/72/40/94/562724094.db2.gz	YSVJXJIRUPBXEP-DQEYMECFSA-N	-1	3	518.570	2.041	1	30		KEEFHM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072125153	562725184	/nfs/dbraw/zinc/72/51/84/562725184.db2.gz	YIUPDCTVRHQRQY-IRXDYDNUSA-N	-1	3	530.713	2.345	1	30		KEEFHM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072126956	562725561	/nfs/dbraw/zinc/72/55/61/562725561.db2.gz	FWNDDBSCPOQLSM-WMZOPIPTSA-N	-1	3	532.729	2.495	1	30		KEEFHM
CC(C)(C)OC(=O)NCCCC(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072126963	562725516	/nfs/dbraw/zinc/72/55/16/562725516.db2.gz	ZLBCKGJURCKKCE-INIZCTEOSA-N	-1	3	518.702	2.251	1	30		KEEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000072173039	562730733	/nfs/dbraw/zinc/73/07/33/562730733.db2.gz	PNCYTFQFJRHKFH-AOMKIAJQSA-N	-1	3	542.589	2.385	1	30		KEEFHM
Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H]3CC=CCN([O-])C3=O)s2)cc1	ZINC000073162890	562734184	/nfs/dbraw/zinc/73/41/84/562734184.db2.gz	OQNMPVNWQUKGKU-HSZRJFAPSA-N	-1	3	515.657	2.326	1	30		KEEFHM
COc1ccc(C(=O)N[C@H]2C[C@H](C(=O)N[O-])N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1	ZINC000084687102	562748862	/nfs/dbraw/zinc/74/88/62/562748862.db2.gz	UCTXPISEYKNHPX-APPDUMDISA-N	-1	3	518.375	2.078	1	30		KEEFHM
COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)N[O-])N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1	ZINC000084687103	562748845	/nfs/dbraw/zinc/74/88/45/562748845.db2.gz	UCTXPISEYKNHPX-PIGZYNQJSA-N	-1	3	518.375	2.078	1	30		KEEFHM
C#CCOCCOCCOCCOCCOc1ccc(CN([C@@H](C(=O)N[O-])C(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000084758516	562752656	/nfs/dbraw/zinc/75/26/56/562752656.db2.gz	YDSGUUACYYBPLW-GDLZYMKVSA-N	-1	3	622.737	2.495	1	30		KEEFHM
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Cc2c(c(O)c4c(c2[O-])C(=O)C=C(OC)C4=O)O1)CC3	ZINC000085553622	562753268	/nfs/dbraw/zinc/75/32/68/562753268.db2.gz	CKLKRRFSZZUFKT-SANMLTNESA-N	-1	3	522.418	2.262	1	30		KEEFHM
COc1cc2c3c([O-])c(c4c(c3c1)C=C[C@H]1CCC[C@H]41)C(=O)CN1Cc3c(cccc3CC#CO[C@H]3[C@H](O)[C@@H](CO)O[C@H](O2)[C@@]3(O)CO)C1=O	ZINC000085592451	291745737	/nfs/dbraw/zinc/74/57/37/291745737.db2.gz	YZPYMIHZQGBAOH-VVYJXHIBSA-N	-1	3	683.710	2.386	1	30	biogenic,in-vitro	KEEFHM
COc1cc2c3c([O-])c(c4c(c3c1)CC[C@H]1CCC[C@@H]41)C(=O)CN1Cc3c(cccc3CC#CO[C@H]3[C@H](O)[C@@H](CO)O[C@H](O2)[C@@]3(O)CO)C1=O	ZINC000085592452	291745731	/nfs/dbraw/zinc/74/57/31/291745731.db2.gz	UVBVADFCWVGQMB-QZNUBTHBSA-N	-1	3	685.726	2.305	1	30	biogenic,in-vitro	KEEFHM
COc1cc2cc(C3CCCC3)c3c([O-])c2c(c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@]1(O)CO	ZINC000085592462	565147450	/nfs/dbraw/zinc/14/74/50/565147450.db2.gz	NICSTDXXXXOBSH-LHVHLLLZSA-N	-1	3	659.688	2.133	1	30	biogenic,in-vitro	KEEFHM
CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)[N-]C4=O)cc3)n2)CC1	ZINC000096173759	562791524	/nfs/dbraw/zinc/79/15/24/562791524.db2.gz	CQYNQICIXCKTTL-JGCGQSQUSA-N	-1	3	580.645	2.190	1	30		KEEFHM
NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)N[O-]	ZINC000096284908	562795361	/nfs/dbraw/zinc/79/53/61/562795361.db2.gz	QTXVPJOTKLUYMQ-QGZVFWFLSA-N	-1	3	594.282	2.391	1	30		KEEFHM
CCc1c2c(nc3ccc(OCc4cn(CCCC(=O)N[O-])nn4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000096927729	562802659	/nfs/dbraw/zinc/80/26/59/562802659.db2.gz	LFZRXHVDLOKSCL-LJAQVGFWSA-N	-1	3	574.594	2.098	1	30		KEEFHM
CCc1c2c(nc3ccc(OCc4cn(CCCCC(=O)N[O-])nn4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000096927730	562802653	/nfs/dbraw/zinc/80/26/53/562802653.db2.gz	KPNSLEXTFXUFST-PMERELPUSA-N	-1	3	588.621	2.488	1	30		KEEFHM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCc4cn(CCCCCC(=O)N[O-])nn4)cc2cc1C3	ZINC000096927735	562802674	/nfs/dbraw/zinc/80/26/74/562802674.db2.gz	NFQRFGGQTGEMNO-LJAQVGFWSA-N	-1	3	574.594	2.316	1	30		KEEFHM
CC(C)(C)NC(=O)c1nc(N)c(C(=O)NCCC(=O)N2CCC(C(=O)N[O-])(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)nc1N	ZINC000096933015	562803559	/nfs/dbraw/zinc/80/35/59/562803559.db2.gz	GMECKBIBYMNMBA-UHFFFAOYSA-N	-1	3	766.756	2.321	1	30		KEEFHM
CC(C)[C@H](C(=O)N[O-])N(Cc1cn(CCOCCOCCOCCOc2cccnc2F)nn1)S(=O)(=O)c1ccc(OCCF)cc1	ZINC000096934277	562803838	/nfs/dbraw/zinc/80/38/38/562803838.db2.gz	WUGYYDAXBPEKAI-HHHXNRCGSA-N	-1	3	686.735	2.010	1	30		KEEFHM
COc1ccc(S(=O)(=O)N(CCn2cc(CCCCOc3cccnc3F)nn2)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000096934281	562803801	/nfs/dbraw/zinc/80/38/01/562803801.db2.gz	ZXGBSFAKYZEOPJ-HSZRJFAPSA-N	-1	3	564.640	2.443	1	30		KEEFHM
C#CC[C@]1(C)CN(C2CCCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000100095148	562806807	/nfs/dbraw/zinc/80/68/07/562806807.db2.gz	ZTRBGFVOAVVIPD-JOCHJYFZSA-N	-1	3	506.606	2.197	1	30		KEEFHM
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCF)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(=O)N[O-])C2=O	ZINC000101056890	562808957	/nfs/dbraw/zinc/80/89/57/562808957.db2.gz	YLKUPYVMPNAOEV-HSHPMGMFSA-N	-1	3	607.676	2.341	1	30		KEEFHM
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)/C(=N/[O-])[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000101179073	562809702	/nfs/dbraw/zinc/80/97/02/562809702.db2.gz	MUVXBYWZCHCHAS-LDZDEGAKSA-N	-1	3	629.755	2.383	1	30		KEEFHM
C[C@@H](O)[C@@]12O[C@]13c1cc([O-])c4c(c1N[C@H]2C#C/C=C\C#C[C@H]3O)C(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1C4=O	ZINC000103256068	562820771	/nfs/dbraw/zinc/82/07/71/562820771.db2.gz	BDUIQYQKSAQZDY-NOYXVJMLSA-N	-1	3	573.561	2.079	1	30		KEEFHM
COc1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N(CCCCCC(=O)N[O-])C3=O)cc(OC)c1OC	ZINC000103266744	562822396	/nfs/dbraw/zinc/82/23/96/562822396.db2.gz	CWYKBVDNZAHYHY-UHFFFAOYSA-N	-1	3	521.548	2.175	1	30		KEEFHM
CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(CC[C@](C)(C(=O)N[O-])S(C)(=O)=O)cc3)c(F)c2)C(=O)O1	ZINC000112936379	562825524	/nfs/dbraw/zinc/82/55/24/562825524.db2.gz	OOVQXTFCMSSJEW-NTKDMRAZSA-N	-1	3	521.567	2.195	1	30		KEEFHM
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@H](C(=O)N[O-])N3CCN(C(=O)C(C)C)CC3)cc2)c2ccccc2n1	ZINC000114996759	562828738	/nfs/dbraw/zinc/82/87/38/562828738.db2.gz	NVPQXUAYORUQIU-SANMLTNESA-N	-1	3	569.684	2.075	1	30		KEEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143246101	562834817	/nfs/dbraw/zinc/83/48/17/562834817.db2.gz	YXAPCNWNHLUBAY-JGCGQSQUSA-N	-1	3	569.662	2.371	1	30		KEEFHM
CCN1CCN(c2ccc(OC)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)[N-]C4=O)cc3)n2)CC1	ZINC000143300404	562834890	/nfs/dbraw/zinc/83/48/90/562834890.db2.gz	YJTJUEGLSJUQSI-MGBGTMOVSA-N	-1	3	594.672	2.493	1	30		KEEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cnn(C)c5)ccc4O)cc3)NC(=O)[N-]C1=O)C2	ZINC000143300623	562834882	/nfs/dbraw/zinc/83/48/82/562834882.db2.gz	SRLGLYMFEUVUBS-SSEXGKCCSA-N	-1	3	548.559	2.449	1	30		KEEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCN(c5nccs5)CC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143350905	562834935	/nfs/dbraw/zinc/83/49/35/562834935.db2.gz	DKNBENRYRTUHRN-GDLZYMKVSA-N	-1	3	556.648	2.060	1	30		KEEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCOCC5)n4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143451455	562835047	/nfs/dbraw/zinc/83/50/47/562835047.db2.gz	ZNTGPYZFJXZCSM-SSEXGKCCSA-N	-1	3	555.566	2.319	1	30		KEEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCOCC5)n4)c(F)c3)NC(=O)[N-]C1=O)C2	ZINC000143451674	562835035	/nfs/dbraw/zinc/83/50/35/562835035.db2.gz	QQEIDFSHQUMVQD-SSEXGKCCSA-N	-1	3	573.556	2.458	1	30		KEEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(N5CCC(=O)CC5)ccc4O)cc3)NC(=O)[N-]C1=O)C2	ZINC000143478611	562835070	/nfs/dbraw/zinc/83/50/70/562835070.db2.gz	SSCTWNVPCAPXGN-WJOKGBTCSA-N	-1	3	583.576	2.357	1	30		KEEFHM
COC(C(=O)C[C@@H](C)O)=C1C(=O)C(OC)=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)CCC=C(C)C(=O)NC1=C2[O-]	ZINC000150539289	562844129	/nfs/dbraw/zinc/84/41/29/562844129.db2.gz	IWXKDLKUMGGABM-LTNRGABZSA-N	-1	3	692.803	2.358	1	30		KEEFHM
COC(C(=O)C[C@@H](C)O)=C1C(=O)C(OC)=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC1=C2[O-]	ZINC000169300164	562852798	/nfs/dbraw/zinc/85/27/98/562852798.db2.gz	NFXTZLQCVNTSMH-FKRTTWPNSA-N	-1	3	690.787	2.134	1	30		KEEFHM
CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000169313300	562855627	/nfs/dbraw/zinc/85/56/27/562855627.db2.gz	YVEKHWIBGXZBGG-NRFANRHFSA-N	-1	3	511.629	2.367	1	30		KEEFHM
CC(=Nc1ccc(S(N)(=O)=O)cc1)C1=C([O-])[C@H]([NH3+])[C@@H]2Cc3c(C)c4ccc(C)c(O)c4c([O-])c3C(=O)[C@]2(O)C1=O	ZINC000169321401	562856643	/nfs/dbraw/zinc/85/66/43/562856643.db2.gz	WJZUAELSEUJWLO-XWGPMHRZSA-N	-1	3	565.604	2.116	1	30		KEEFHM
CCN1CCN([C@@H](N=O)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)[N-]C3=O)cc2F)[C@@H](C)C1	ZINC000169694508	562865348	/nfs/dbraw/zinc/86/53/48/562865348.db2.gz	OCBISIUSASRRNI-QGGCDAQJSA-N	-1	3	580.592	2.350	1	30		KEEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](N=O)N4CCSCC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694517	562865292	/nfs/dbraw/zinc/86/52/92/562865292.db2.gz	QKXVYRQVCUTSOJ-BKMJKUGQSA-N	-1	3	519.583	2.095	1	30		KEEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](N=O)N4CCSCC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694518	562865298	/nfs/dbraw/zinc/86/52/98/562865298.db2.gz	QKXVYRQVCUTSOJ-ATIYNZHBSA-N	-1	3	519.583	2.095	1	30		KEEFHM
C[C@@](CCc1ccc(-c2ccc(OCC(=O)N3CCC(C)(O)CC3)cc2)cc1)(C(=O)N[O-])S(C)(=O)=O	ZINC000169708234	562870196	/nfs/dbraw/zinc/87/01/96/562870196.db2.gz	XXJMVNBDCHUFLD-AREMUKBSSA-N	-1	3	518.632	2.347	1	30		KEEFHM
COc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](C[N-]S(=O)(=O)c3cccc(Cl)c3Cl)O[C@@H]2O)cc(-c2ccc(C#N)cc2)c1	ZINC000205313905	562875097	/nfs/dbraw/zinc/87/50/97/562875097.db2.gz	HBGMCCARHCLDCH-SUMVXZBSSA-N	-1	3	622.483	2.057	1	30		KEEFHM
COc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](C[N-]S(=O)(=O)c3cccc(Cl)c3Cl)[C@@H](O)[C@@H]2O)cc(-c2ccc(C#N)cc2)c1	ZINC000205313920	562875065	/nfs/dbraw/zinc/87/50/65/562875065.db2.gz	HBGMCCARHCLDCH-MYTFBLFYSA-N	-1	3	622.483	2.057	1	30		KEEFHM
CCCCC[C@H]1NC(=O)[C@H](CCCCC)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)N[O-])NC1=O	ZINC000299829819	562885010	/nfs/dbraw/zinc/88/50/10/562885010.db2.gz	IAXSAHXPKHCCRC-CLAROIROSA-N	-1	3	537.702	2.062	1	30		KEEFHM
CCCCC[C@@H]1NC(=O)[C@H](CCCCCC(=O)N[O-])NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O	ZINC000299836956	562887324	/nfs/dbraw/zinc/88/73/24/562887324.db2.gz	IYOLVIFIJXUYFW-MYGLTJDJSA-N	-1	3	537.702	2.062	1	30		KEEFHM
CCCCC[C@@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O	ZINC000299836956	562887323	/nfs/dbraw/zinc/88/73/23/562887323.db2.gz	IYOLVIFIJXUYFW-MYGLTJDJSA-N	-1	3	537.702	2.062	1	30		KEEFHM
CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(CC[C@@](C)(C(=O)N[O-])S(C)(=O)=O)cc3)c(F)c2)C(=O)O1	ZINC000473198032	562903776	/nfs/dbraw/zinc/90/37/76/562903776.db2.gz	OOVQXTFCMSSJEW-DVECYGJZSA-N	-1	3	521.567	2.195	1	30		KEEFHM
C[C@](CCc1ccc(-c2ccc(OCC(=O)N3CCC(C)(O)CC3)cc2)cc1)(C(=O)N[O-])S(C)(=O)=O	ZINC000473214465	562903988	/nfs/dbraw/zinc/90/39/88/562903988.db2.gz	XXJMVNBDCHUFLD-SANMLTNESA-N	-1	3	518.632	2.347	1	30		KEEFHM
CO/N=C1\CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4nc(N)c(F)cc4F)c3c2Cl)C[C@H]1N	ZINC000653846189	562915199	/nfs/dbraw/zinc/91/51/99/562915199.db2.gz	DJVXCTBPYJUVRW-CSVDZDRNSA-N	-1	3	510.860	2.277	1	30		KEEFHM
CO/N=C1\CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4nc(N)c(F)cc4F)c3c2Cl)C[C@@H]1N	ZINC000653846190	562915183	/nfs/dbraw/zinc/91/51/83/562915183.db2.gz	DJVXCTBPYJUVRW-IJYCJYAISA-N	-1	3	510.860	2.277	1	30		KEEFHM