smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@@H](CC(=O)N3CCC(F)CC3)[C@H]2C1	ZINC001164899623	721479953	/nfs/dbraw/zinc/47/99/53/721479953.db2.gz	ZPDIDYUITNEYDY-YRGRVCCFSA-N	-1	0	476.883	2.423	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@@H](CC(=O)N3CCC(F)CC3)[C@@H]2C1	ZINC001164899615	721479958	/nfs/dbraw/zinc/47/99/58/721479958.db2.gz	ZPDIDYUITNEYDY-BZPMIXESSA-N	-1	0	476.883	2.423	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[C@@H](C(=O)NCCc3ccccn3)O[C@@H]2C1	ZINC001164701594	719820547	/nfs/dbraw/zinc/82/05/47/719820547.db2.gz	PRMANPOKBRMBEW-UHOFOFEASA-N	-1	0	481.887	2.111	20	0		JEADRM
CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1	ZINC001164762432	721017660	/nfs/dbraw/zinc/01/76/60/721017660.db2.gz	VQYDTNRUMIYILF-UHOFOFEASA-N	-1	0	481.887	2.411	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@H](C(=O)NCc3ccccn3)[C@H]2C1	ZINC001164761193	721023195	/nfs/dbraw/zinc/02/31/95/721023195.db2.gz	RPRIHFGGLPITJX-LZWOXQAQSA-N	-1	0	481.887	2.316	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1	ZINC001164761195	721023577	/nfs/dbraw/zinc/02/35/77/721023577.db2.gz	RPRIHFGGLPITJX-YCPHGPKFSA-N	-1	0	481.887	2.316	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1	ZINC001164878497	721310104	/nfs/dbraw/zinc/31/01/04/721310104.db2.gz	LGPXCAFDGFNNNF-VXGBXAGGSA-N	-1	0	458.874	2.130	20	0		JEADRM
CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2	ZINC001164924397	721837183	/nfs/dbraw/zinc/83/71/83/721837183.db2.gz	MHWQAPSYKVVBLC-KZULUSFZSA-N	-1	0	454.865	2.427	20	0		JEADRM
CN(C[C@@H](O)CO)C(F)(F)c1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Cl	ZINC001164665203	719366311	/nfs/dbraw/zinc/36/63/11/719366311.db2.gz	AEDHLRNIOQJDEI-GFCCVEGCSA-N	-1	0	472.901	2.418	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1	ZINC001164701651	719820467	/nfs/dbraw/zinc/82/04/67/719820467.db2.gz	PRMANPOKBRMBEW-WQVCFCJDSA-N	-1	0	481.887	2.111	20	0		JEADRM
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC001164706095	719873155	/nfs/dbraw/zinc/87/31/55/719873155.db2.gz	OSOHWOJUEAEOPM-XXBNENTESA-N	-1	0	492.573	2.254	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1	ZINC001164878491	721310283	/nfs/dbraw/zinc/31/02/83/721310283.db2.gz	LGPXCAFDGFNNNF-RYUDHWBXSA-N	-1	0	458.874	2.130	20	0		JEADRM
Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CC[C@@H]3C2=O)n1	ZINC001164801979	721603336	/nfs/dbraw/zinc/60/33/36/721603336.db2.gz	QWSREXNGHWRYHF-GOEBONIOSA-N	-1	0	481.887	2.330	20	0		JEADRM
CC(=O)[N-]S(=O)(=O)c1ccc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1	ZINC001164912166	721763557	/nfs/dbraw/zinc/76/35/57/721763557.db2.gz	UKUVYRJUSSRBDJ-UHFFFAOYSA-N	-1	0	455.540	2.089	20	0		JEADRM
CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C[C@@H]2c2ccccc21	ZINC001164974053	722090920	/nfs/dbraw/zinc/09/09/20/722090920.db2.gz	LYVZAEYHHHTMBH-JQWIXIFHSA-N	-1	0	458.874	2.373	20	0		JEADRM
Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C[C@H]2CCCO[C@@H]21	ZINC001164651119	719321130	/nfs/dbraw/zinc/32/11/30/719321130.db2.gz	FOSLSRKHIXELCE-ZXIHIIQKSA-N	-1	0	471.848	2.083	20	0		JEADRM
CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1	ZINC001164762431	721017833	/nfs/dbraw/zinc/01/78/33/721017833.db2.gz	VQYDTNRUMIYILF-KCXAZCMYSA-N	-1	0	481.887	2.411	20	0		JEADRM
CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1	ZINC001164762433	721018015	/nfs/dbraw/zinc/01/80/15/721018015.db2.gz	VQYDTNRUMIYILF-WQVCFCJDSA-N	-1	0	481.887	2.411	20	0		JEADRM
CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1	ZINC001164762430	721018175	/nfs/dbraw/zinc/01/81/75/721018175.db2.gz	VQYDTNRUMIYILF-DAXOMENPSA-N	-1	0	481.887	2.411	20	0		JEADRM
CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2	ZINC001164924396	721837231	/nfs/dbraw/zinc/83/72/31/721837231.db2.gz	MHWQAPSYKVVBLC-KPZWWZAWSA-N	-1	0	454.865	2.427	20	0		JEADRM
CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C[C@@H]2c2ccccc21	ZINC001164974057	722090928	/nfs/dbraw/zinc/09/09/28/722090928.db2.gz	LYVZAEYHHHTMBH-PWSUYJOCSA-N	-1	0	458.874	2.373	20	0		JEADRM
Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CC[C@H]3C2=O)n1	ZINC001164801978	721603452	/nfs/dbraw/zinc/60/34/52/721603452.db2.gz	QWSREXNGHWRYHF-GDBMZVCRSA-N	-1	0	481.887	2.330	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2	ZINC001164952593	722003261	/nfs/dbraw/zinc/00/32/61/722003261.db2.gz	NRLJCIJLBYFJFR-UHFFFAOYSA-N	-1	0	467.860	2.166	20	0		JEADRM
Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C[C@H]2CCCO[C@H]21	ZINC001164651090	719321145	/nfs/dbraw/zinc/32/11/45/719321145.db2.gz	FOSLSRKHIXELCE-CKUKBARFSA-N	-1	0	471.848	2.083	20	0		JEADRM
Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C[C@@H]2CCCO[C@H]12	ZINC001164651115	719321285	/nfs/dbraw/zinc/32/12/85/719321285.db2.gz	FOSLSRKHIXELCE-WNMQOVRZSA-N	-1	0	471.848	2.083	20	0		JEADRM
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC001164706091	719873367	/nfs/dbraw/zinc/87/33/67/719873367.db2.gz	OSOHWOJUEAEOPM-CVDCTZTESA-N	-1	0	492.573	2.254	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@H](CC(=O)N3CCC(F)CC3)[C@H]2C1	ZINC001164899618	721479976	/nfs/dbraw/zinc/47/99/76/721479976.db2.gz	ZPDIDYUITNEYDY-OUCADQQQSA-N	-1	0	476.883	2.423	20	0		JEADRM
CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2	ZINC001164924399	721837198	/nfs/dbraw/zinc/83/71/98/721837198.db2.gz	MHWQAPSYKVVBLC-XIKOKIGWSA-N	-1	0	454.865	2.427	20	0		JEADRM
CN1CCN(c2ncnc3c2CCN(c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)CC3)CC1	ZINC001165001733	722238716	/nfs/dbraw/zinc/23/87/16/722238716.db2.gz	KSMGGVDLHMPQTH-UHFFFAOYSA-N	-1	0	497.600	2.169	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@@H]2C1	ZINC001164701586	719820722	/nfs/dbraw/zinc/82/07/22/719820722.db2.gz	PRMANPOKBRMBEW-DAXOMENPSA-N	-1	0	481.887	2.111	20	0		JEADRM
Cc1nc(CN2CCOC[C@@]3(CN(c4nc[n-]c5nc(=S)sc4-5)CCO3)C2)cs1	ZINC001164920616	721831558	/nfs/dbraw/zinc/83/15/58/721831558.db2.gz	GDXCAYIISZKNCM-SFHVURJKSA-N	-1	0	450.615	2.248	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1	ZINC001164948849	721981974	/nfs/dbraw/zinc/98/19/74/721981974.db2.gz	MFOBWNRUQXKWRV-UHFFFAOYSA-N	-1	0	465.888	2.344	20	0		JEADRM
CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C[C@H]2c2ccccc21	ZINC001164974062	722090969	/nfs/dbraw/zinc/09/09/69/722090969.db2.gz	LYVZAEYHHHTMBH-ZYHUDNBSSA-N	-1	0	458.874	2.373	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@H]2COC[C@@]2(C(=O)NCCc2ccccc2)C1	ZINC001164847968	720817559	/nfs/dbraw/zinc/81/75/59/720817559.db2.gz	BEWUXLWFUVDXID-XOBRGWDASA-N	-1	0	466.872	2.185	20	0		JEADRM
Cc1cccc(CN2CCO[C@H]3CN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CC[C@@H]3C2=O)n1	ZINC001164801980	721603426	/nfs/dbraw/zinc/60/34/26/721603426.db2.gz	QWSREXNGHWRYHF-HOCLYGCPSA-N	-1	0	481.887	2.330	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1	ZINC001165021785	721783211	/nfs/dbraw/zinc/78/32/11/721783211.db2.gz	PKLJXJVLPGZFJT-KEYYUXOJSA-N	-1	0	457.865	2.413	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21	ZINC001165021782	721783222	/nfs/dbraw/zinc/78/32/22/721783222.db2.gz	PKLJXJVLPGZFJT-CPUCHLNUSA-N	-1	0	457.865	2.413	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@H]2C1	ZINC001164761192	721023510	/nfs/dbraw/zinc/02/35/10/721023510.db2.gz	RPRIHFGGLPITJX-FMKPAKJESA-N	-1	0	481.887	2.316	20	0		JEADRM
Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1	ZINC001164800470	721606890	/nfs/dbraw/zinc/60/68/90/721606890.db2.gz	CSTPOWAOWZZXET-GOSISDBHSA-N	-1	0	454.865	2.216	20	0		JEADRM
Cc1nc(CN2CCOC[C@]3(CN(c4nc[n-]c5nc(=S)sc4-5)CCO3)C2)cs1	ZINC001164920615	721831520	/nfs/dbraw/zinc/83/15/20/721831520.db2.gz	GDXCAYIISZKNCM-GOSISDBHSA-N	-1	0	450.615	2.248	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1	ZINC001164998653	722218801	/nfs/dbraw/zinc/21/88/01/722218801.db2.gz	LEWCJUWBOQIPFM-LJQANCHMSA-N	-1	0	480.859	2.200	20	0		JEADRM
CN(C[C@H](O)CO)C(F)(F)c1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Cl	ZINC001164665207	719366180	/nfs/dbraw/zinc/36/61/80/719366180.db2.gz	AEDHLRNIOQJDEI-LBPRGKRZSA-N	-1	0	472.901	2.418	20	0		JEADRM
Cc1nc(CN2CCOC[C@]3(CN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CCO3)C2)cs1	ZINC001164924046	721834740	/nfs/dbraw/zinc/83/47/40/721834740.db2.gz	MCESSNJHKBGNDP-GOSISDBHSA-N	-1	0	489.932	2.246	20	0		JEADRM
CCOC(=O)c1sc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c(C(=O)OCC)c1C	ZINC000003371029	194305635	/nfs/dbraw/zinc/30/56/35/194305635.db2.gz	JAQISZOOSVEWOM-UHFFFAOYSA-N	-1	0	487.490	2.457	20	0		JEADRM
Cc1nc(CN2CCN(C)C3(CCN(c4nc[n-]c5nc(=S)sc4-5)CC3)C2=O)cs1	ZINC001164820759	720378010	/nfs/dbraw/zinc/37/80/10/720378010.db2.gz	TZXAVPAFVZVYCZ-UHFFFAOYSA-N	-1	0	461.642	2.453	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1	ZINC001164847962	720817560	/nfs/dbraw/zinc/81/75/60/720817560.db2.gz	BEWUXLWFUVDXID-JLTOFOAXSA-N	-1	0	466.872	2.185	20	0		JEADRM
Cc1cccc(CN2CCO[C@H]3CN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CC[C@H]3C2=O)n1	ZINC001164801981	721603465	/nfs/dbraw/zinc/60/34/65/721603465.db2.gz	QWSREXNGHWRYHF-ZBFHGGJFSA-N	-1	0	481.887	2.330	20	0		JEADRM
CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C[C@H]2c2ccccc21	ZINC001164974049	722090958	/nfs/dbraw/zinc/09/09/58/722090958.db2.gz	LYVZAEYHHHTMBH-CMPLNLGQSA-N	-1	0	458.874	2.373	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1	ZINC001165001433	722250148	/nfs/dbraw/zinc/25/01/48/722250148.db2.gz	QPURBNQDSHVHDA-GOSISDBHSA-N	-1	0	456.833	2.478	20	0		JEADRM
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2	ZINC001165004895	722270885	/nfs/dbraw/zinc/27/08/85/722270885.db2.gz	DPJAICMAYNIIRY-IBGZPJMESA-N	-1	0	469.851	2.440	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1	ZINC001164847963	720817717	/nfs/dbraw/zinc/81/77/17/720817717.db2.gz	BEWUXLWFUVDXID-VBKZILBWSA-N	-1	0	466.872	2.185	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@H](CC(=O)N3CCC(F)CC3)[C@@H]2C1	ZINC001164899620	721479973	/nfs/dbraw/zinc/47/99/73/721479973.db2.gz	ZPDIDYUITNEYDY-SCRDCRAPSA-N	-1	0	476.883	2.423	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1	ZINC001164797692	721594569	/nfs/dbraw/zinc/59/45/69/721594569.db2.gz	HRTUFKIZEVOELK-QGZVFWFLSA-N	-1	0	474.873	2.073	20	0		JEADRM
Cc1nc(CN2CCOC[C@@]3(CN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CCO3)C2)cs1	ZINC001164924048	721834806	/nfs/dbraw/zinc/83/48/06/721834806.db2.gz	MCESSNJHKBGNDP-SFHVURJKSA-N	-1	0	489.932	2.246	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1	ZINC001164998652	722219031	/nfs/dbraw/zinc/21/90/31/722219031.db2.gz	LEWCJUWBOQIPFM-IBGZPJMESA-N	-1	0	480.859	2.200	20	0		JEADRM
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2	ZINC001165004897	722271011	/nfs/dbraw/zinc/27/10/11/722271011.db2.gz	DPJAICMAYNIIRY-LJQANCHMSA-N	-1	0	469.851	2.440	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@@]2(C(=O)NCCc2ccccc2)C1	ZINC001164847966	720817617	/nfs/dbraw/zinc/81/76/17/720817617.db2.gz	BEWUXLWFUVDXID-VLIAUNLRSA-N	-1	0	466.872	2.185	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21	ZINC001165021789	721783010	/nfs/dbraw/zinc/78/30/10/721783010.db2.gz	PKLJXJVLPGZFJT-ZQIUZPCESA-N	-1	0	457.865	2.413	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21	ZINC001165021787	721783139	/nfs/dbraw/zinc/78/31/39/721783139.db2.gz	PKLJXJVLPGZFJT-VBQJREDUSA-N	-1	0	457.865	2.413	20	0		JEADRM
CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2	ZINC001164924398	721837270	/nfs/dbraw/zinc/83/72/70/721837270.db2.gz	MHWQAPSYKVVBLC-SGTLLEGYSA-N	-1	0	454.865	2.427	20	0		JEADRM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1	ZINC000641935241	721916942	/nfs/dbraw/zinc/91/69/42/721916942.db2.gz	NVIZDDIMJOVRLG-SFHVURJKSA-N	-1	0	453.568	2.732	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1	ZINC001165001434	722250190	/nfs/dbraw/zinc/25/01/90/722250190.db2.gz	QPURBNQDSHVHDA-SFHVURJKSA-N	-1	0	456.833	2.478	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[C@@H](C(=O)NCCc3ccccn3)O[C@H]2C1	ZINC001164701590	719820529	/nfs/dbraw/zinc/82/05/29/719820529.db2.gz	PRMANPOKBRMBEW-KCXAZCMYSA-N	-1	0	481.887	2.111	20	0		JEADRM
CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])CCC2	ZINC001164755446	720866644	/nfs/dbraw/zinc/86/66/44/720866644.db2.gz	WZEUTTNMQDKJBE-UHFFFAOYSA-N	-1	0	484.891	2.002	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@H](C(=O)NCc3ccccn3)[C@@H]2C1	ZINC001164761190	721023352	/nfs/dbraw/zinc/02/33/52/721023352.db2.gz	RPRIHFGGLPITJX-DZKIICNBSA-N	-1	0	481.887	2.316	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1	ZINC001164797690	721594423	/nfs/dbraw/zinc/59/44/23/721594423.db2.gz	HRTUFKIZEVOELK-KRWDZBQOSA-N	-1	0	474.873	2.073	20	0		JEADRM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C[C@H]2CCCO2)CC1)c1ccccc1	ZINC000641935238	721917164	/nfs/dbraw/zinc/91/71/64/721917164.db2.gz	NVIZDDIMJOVRLG-GOSISDBHSA-N	-1	0	453.568	2.732	20	0		JEADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1	ZINC001164878495	721310374	/nfs/dbraw/zinc/31/03/74/721310374.db2.gz	LGPXCAFDGFNNNF-TXEJJXNPSA-N	-1	0	458.874	2.130	20	0		JEADRM
Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1	ZINC001164800471	721606963	/nfs/dbraw/zinc/60/69/63/721606963.db2.gz	CSTPOWAOWZZXET-SFHVURJKSA-N	-1	0	454.865	2.216	20	0		JEADRM
Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C[C@@H]2CCCO[C@@H]12	ZINC001164651111	719321357	/nfs/dbraw/zinc/32/13/57/719321357.db2.gz	FOSLSRKHIXELCE-OWRWGESLSA-N	-1	0	471.848	2.083	20	0		JEADRM
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC001164706093	719873404	/nfs/dbraw/zinc/87/34/04/719873404.db2.gz	OSOHWOJUEAEOPM-WMZHIEFXSA-N	-1	0	492.573	2.254	20	0		JEADRM
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC001164706083	719873568	/nfs/dbraw/zinc/87/35/68/719873568.db2.gz	OSOHWOJUEAEOPM-AUSIDOKSSA-N	-1	0	492.573	2.254	20	0		JEADRM
COc1cc(OC)nc(CN2CCN(c3ncccc3S(=O)(=O)[N-]c3cccc(F)c3)CC2)n1	ZINC001165030992	721851054	/nfs/dbraw/zinc/85/10/54/721851054.db2.gz	ZGEXINBHIYFBCP-UHFFFAOYSA-N	-1	0	488.545	2.151	20	0		JEADRM