smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043307393	562647490	/nfs/dbraw/zinc/64/74/90/562647490.db2.gz	KMZKBAUYXRNDIT-UHFFFAOYSA-N	1	0	540.021	3.164	40	70		KGIBRO
Cc1cc(NC(=O)NCCCOc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2Cl)ccc1S(=O)(=O)F	ZINC000043307605	562647566	/nfs/dbraw/zinc/64/75/66/562647566.db2.gz	IZKGWENSMDIUFX-UHFFFAOYSA-N	1	0	540.021	3.083	40	70		KGIBRO
CN1C(=O)N(C)C(=O)C(Cc2ccc(OCc3ccccc3)cc2)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O	ZINC000217368101	571601036	/nfs/dbraw/zinc/60/10/36/571601036.db2.gz	UVIVOVUPOFIBTL-LOSJGSFVSA-N	1	0	554.647	3.126	40	70		KGIBRO
CCOc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000217373911	571601254	/nfs/dbraw/zinc/60/12/54/571601254.db2.gz	HHGLGWBDWWOZDR-INEJIFKHSA-N	1	0	540.620	3.178	40	70		KGIBRO
CCOc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000217374000	571601224	/nfs/dbraw/zinc/60/12/24/571601224.db2.gz	HHGLGWBDWWOZDR-LWPQGVMLSA-N	1	0	540.620	3.178	40	70		KGIBRO
CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217374299	571601189	/nfs/dbraw/zinc/60/11/89/571601189.db2.gz	BPRFFUXYKBBLED-LOTJKCTMSA-N	1	0	584.673	3.359	40	70		KGIBRO
CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217374386	571601087	/nfs/dbraw/zinc/60/10/87/571601087.db2.gz	BPRFFUXYKBBLED-BCWKHWSNSA-N	1	0	584.673	3.359	40	70		KGIBRO
CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217374843	571601176	/nfs/dbraw/zinc/60/11/76/571601176.db2.gz	AOXXHWWAXWKIAF-JOUUIMRQSA-N	1	0	554.647	3.351	40	70		KGIBRO
CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217374927	571601200	/nfs/dbraw/zinc/60/12/00/571601200.db2.gz	AOXXHWWAXWKIAF-XNSHOJTPSA-N	1	0	554.647	3.351	40	70		KGIBRO
CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217375725	571601046	/nfs/dbraw/zinc/60/10/46/571601046.db2.gz	RHWYEWRRYRPZHW-FONBTEPMSA-N	1	0	530.650	3.403	40	70		KGIBRO
COc1cc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1	ZINC000217406768	571601401	/nfs/dbraw/zinc/60/14/01/571601401.db2.gz	JLKNPYIKONMMPV-BJKOFHAPSA-N	1	0	602.663	3.274	40	70		KGIBRO
COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218071173	571603250	/nfs/dbraw/zinc/60/32/50/571603250.db2.gz	FQRDMIHLNOHKGK-QTGUNEKASA-N	1	0	527.577	3.370	40	70		KGIBRO
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218071244	571603211	/nfs/dbraw/zinc/60/32/11/571603211.db2.gz	FQRDMIHLNOHKGK-ZEYPLWLESA-N	1	0	527.577	3.370	40	70		KGIBRO