smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CC1CCN(C(=O)Cn2ccc3c2cccc3[N-]S(C)(=O)=O)CC1	ZINC000218409660	568480061	/nfs/dbraw/zinc/48/00/61/568480061.db2.gz	PEKQCOQFSDRWAF-UHFFFAOYSA-N	-1	3	407.492	1.815	50	70		HDIAHM
COc1cc2c(cc1OC)CN(Cc1oc(CN3CCOCC3)cc(=O)c1[O-])CC2	ZINC000217810395	568913803	/nfs/dbraw/zinc/91/38/03/568913803.db2.gz	NUDHKLOHHYPWEY-UHFFFAOYSA-N	-1	3	416.474	1.753	50	70	biogenic	HDIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NCCc1nnc2ccccn21	ZINC000218487259	568480994	/nfs/dbraw/zinc/48/09/94/568480994.db2.gz	AUXVYRVRLSLTTE-UHFFFAOYSA-N	-1	3	412.475	1.414	50	70		HDIAHM
COc1ccccc1-c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n[n-]1	ZINC000217676509	568473418	/nfs/dbraw/zinc/47/34/18/568473418.db2.gz	OEJZGBMUNHIHHG-AWEZNQCLSA-N	-1	3	406.402	1.560	50	70	biogenic	HDIAHM
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000217625557	569052776	/nfs/dbraw/zinc/05/27/76/569052776.db2.gz	VDPWOKAAEOJLQA-OAHLLOKOSA-N	-1	3	417.414	1.601	50	70	biogenic	HDIAHM
O=c1cc(CN2CCCCC2)oc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-]	ZINC000218433409	568932534	/nfs/dbraw/zinc/93/25/34/568932534.db2.gz	FOKRAIBBJHIYCS-UHFFFAOYSA-N	-1	3	413.400	1.957	50	70		HDIAHM
NC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218505280	568481136	/nfs/dbraw/zinc/48/11/36/568481136.db2.gz	PTCFLGUJVAVJKJ-LBPRGKRZSA-N	-1	3	412.364	1.602	50	70		HDIAHM
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[n-]c(COc2ccccc2)n1	ZINC000217846625	568474110	/nfs/dbraw/zinc/47/41/10/568474110.db2.gz	YNHHSYFKEYAYNP-HNNXBMFYSA-N	-1	3	406.402	1.463	50	70	biogenic	HDIAHM
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000217625629	569052773	/nfs/dbraw/zinc/05/27/73/569052773.db2.gz	VDPWOKAAEOJLQA-HNNXBMFYSA-N	-1	3	417.414	1.601	50	70	biogenic	HDIAHM
C[C@H](NC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O)c1nnc2ccccn21	ZINC000218143510	568475749	/nfs/dbraw/zinc/47/57/49/568475749.db2.gz	ANVFMKHLOOLKPM-ZDUSSCGKSA-N	-1	3	412.475	1.933	50	70		HDIAHM
CS(=O)(=O)N1CCN(C(=O)c2c[n-]c3ccc(OC(F)(F)F)cc3c2=O)CC1	ZINC000218220433	568476521	/nfs/dbraw/zinc/47/65/21/568476521.db2.gz	WIRCHXMMRYVJEK-UHFFFAOYSA-N	-1	3	419.381	1.556	50	70		HDIAHM
COc1ccccc1N1CCN(Cc2c([O-])occ(CN3CCOCC3)c2=O)CC1	ZINC000218550048	568481617	/nfs/dbraw/zinc/48/16/17/568481617.db2.gz	NGFLMWXGLPPJTN-UHFFFAOYSA-N	-1	3	415.490	1.508	50	70		HDIAHM
COc1ccccc1N1CCN(Cc2c([O-])c(CN3CCOCC3)coc2=O)CC1	ZINC000218550048	568481618	/nfs/dbraw/zinc/48/16/18/568481618.db2.gz	NGFLMWXGLPPJTN-UHFFFAOYSA-N	-1	3	415.490	1.508	50	70		HDIAHM
CC(C)(C)OC(=O)NCCNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218418755	568480112	/nfs/dbraw/zinc/48/01/12/568480112.db2.gz	NFMKRAKYUDXKQU-UHFFFAOYSA-N	-1	3	410.496	1.654	50	70		HDIAHM
NC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218505190	568481077	/nfs/dbraw/zinc/48/10/77/568481077.db2.gz	PTCFLGUJVAVJKJ-GFCCVEGCSA-N	-1	3	412.364	1.602	50	70		HDIAHM
CS(=O)(=O)N1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1	ZINC000218326483	568478473	/nfs/dbraw/zinc/47/84/73/568478473.db2.gz	IQWNWYOWSZZGEA-UHFFFAOYSA-N	-1	3	419.381	1.556	50	70		HDIAHM
COc1cccc(N2CCN(Cc3c([O-])occ(CN4CCOCC4)c3=O)CC2)c1	ZINC000218607104	568482359	/nfs/dbraw/zinc/48/23/59/568482359.db2.gz	WASHJLWBDQLCAT-UHFFFAOYSA-N	-1	3	415.490	1.508	50	70		HDIAHM
COc1cccc(N2CCN(Cc3c([O-])c(CN4CCOCC4)coc3=O)CC2)c1	ZINC000218607104	568482360	/nfs/dbraw/zinc/48/23/60/568482360.db2.gz	WASHJLWBDQLCAT-UHFFFAOYSA-N	-1	3	415.490	1.508	50	70		HDIAHM