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-])c1ccc(Nc2c3ccccc3nc3cc(I)ccc32)cc1	ZINC000026843896	563037601	/nfs/dbraw/zinc/03/76/01/563037601.db2.gz	IYGOFTMCPNPPRP-UHFFFAOYSA-N	-1	1	440.240	5.434	1	10		IKCFMM
C[C@H]1c2c(Cl)c(O)c([O-])c(Cl)c2CCN1C(=S)NCCc1ccc(Cl)cc1	ZINC000029123280	563073925	/nfs/dbraw/zinc/07/39/25/563073925.db2.gz	PJIDRAVOPYFKTG-JTQLQIEISA-N	-1	1	445.799	5.094	1	10		IKCFMM
CC1=CCCC(C)(C)[C@H]1Cc1c2c(cc(O)c1O)oc1c2oc2cc([O-])cc(O)c2c1=O	ZINC000043078790	563118467	/nfs/dbraw/zinc/11/84/67/563118467.db2.gz	LONDNVXJGNYQEO-AWEZNQCLSA-N	-1	1	436.460	5.440	1	10		IKCFMM
[O-]c1c(Br)cccc1CN(Cc1ccc(O)cc1)C(=S)Nc1ccccc1	ZINC000045390916	563134094	/nfs/dbraw/zinc/13/40/94/563134094.db2.gz	SOXYLYNQTNNXEV-UHFFFAOYSA-N	-1	1	443.366	5.260	1	10		IKCFMM
[O-]c1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1	ZINC000045339578	563131863	/nfs/dbraw/zinc/13/18/63/563131863.db2.gz	PGLLJXXZDBFPCN-UHFFFAOYSA-N	-1	1	445.357	5.693	1	10		IKCFMM
CC(C)=CCC/C(C)=C/CC1=C([O-])C2=C(O)C(=O)C(c3ccc(O)c(O)c3)OC2=CC1=O	ZINC000015120638	291396468	/nfs/dbraw/zinc/39/64/68/291396468.db2.gz	DMSHSZYADCTYHE-VGOFMYFVSA-N	-1	1	438.476	5.223	1	10	biogenic,in-vitro	IKCFMM
[O-]c1c(Br)cc(Br)cc1CNc1ccccc1Br	ZINC000072177548	563166010	/nfs/dbraw/zinc/16/60/10/563166010.db2.gz	XRDPZXVOYLRZGY-UHFFFAOYSA-N	-1	1	435.941	5.292	1	10		IKCFMM
O=C(c1ccc(Oc2ccccc2)s1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1[O-]	ZINC000084605274	563174251	/nfs/dbraw/zinc/17/42/51/563174251.db2.gz	RGRFYTIVTOOKOR-UHFFFAOYSA-N	-1	1	436.460	5.618	1	10		IKCFMM
C[C@@H]1c2c(Cl)c(O)c([O-])c(Cl)c2CCN1C(=S)NCCc1ccc(Cl)cc1	ZINC000029123281	563073911	/nfs/dbraw/zinc/07/39/11/563073911.db2.gz	PJIDRAVOPYFKTG-SNVBAGLBSA-N	-1	1	445.799	5.094	1	10		IKCFMM
O=C1[N-]C(=S)S/C1=C\c1cc(-c2coc3ccccc32)ccc1OCc1ccccc1	ZINC000036184605	563091661	/nfs/dbraw/zinc/09/16/61/563091661.db2.gz	PAWZKWILVPWSFH-QRVIBDJDSA-N	-1	1	443.549	6.168	1	10		IKCFMM
O=C1[N-]C(=S)S/C1=C\c1cc2ccccc2cc1OCc1c(F)cccc1Cl	ZINC000036184601	563091672	/nfs/dbraw/zinc/09/16/72/563091672.db2.gz	HLMCXBXZLODHBC-GRSHGNNSSA-N	-1	1	429.925	5.700	1	10		IKCFMM
CC1=CCCC(C)(C)[C@@H]1Cc1c2c(cc(O)c1O)oc1c2oc2cc([O-])cc(O)c2c1=O	ZINC000043078787	563118498	/nfs/dbraw/zinc/11/84/98/563118498.db2.gz	LONDNVXJGNYQEO-CQSZACIVSA-N	-1	1	436.460	5.440	1	10		IKCFMM
[O-]c1c(Br)cc(Br)cc1CNc1ccc(Br)cc1	ZINC000072177436	563166012	/nfs/dbraw/zinc/16/60/12/563166012.db2.gz	KDWDCJGSWIWOHN-UHFFFAOYSA-N	-1	1	435.941	5.292	1	10		IKCFMM
O=C(c1ccc(Oc2ccc(F)cc2)cc1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1[O-]	ZINC000084605266	563174268	/nfs/dbraw/zinc/17/42/68/563174268.db2.gz	PYBPSCYTGKBNJF-UHFFFAOYSA-N	-1	1	448.421	5.696	1	10		IKCFMM
O=C1[N-]C(=S)S/C1=C\c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1	ZINC000013586993	562995583	/nfs/dbraw/zinc/99/55/83/562995583.db2.gz	XVYLEONEMYQIGD-XKZIYDEJSA-N	-1	1	433.554	5.333	1	10		IKCFMM
O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc(-c2ccccc2)cc1[O-]	ZINC000028085895	563050207	/nfs/dbraw/zinc/05/02/07/563050207.db2.gz	CWLNTXXGBCECKV-UHFFFAOYSA-N	-1	1	425.484	5.508	1	10		IKCFMM
CN(C)c1ccc(-c2ccc(OCc3ccccc3)c(C=C3SC(=S)[N-]C3=O)c2)cc1	ZINC000036184606	563091692	/nfs/dbraw/zinc/09/16/92/563091692.db2.gz	YTPDZDCCIYWUQV-HAHDFKILSA-N	-1	1	446.597	5.487	1	10		IKCFMM
O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cccc(Br)c1[O-]	ZINC000045335417	563131265	/nfs/dbraw/zinc/13/12/65/563131265.db2.gz	AMPJVHBLKDNTBD-UHFFFAOYSA-N	-1	1	427.298	5.095	1	10		IKCFMM
O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1cccc(Br)c1[O-]	ZINC000045340087	563131943	/nfs/dbraw/zinc/13/19/43/563131943.db2.gz	DOFNHGGYAVHZBW-UHFFFAOYSA-N	-1	1	429.289	5.528	1	10		IKCFMM