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-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	ZINC000000766547	570455817	/nfs/dbraw/zinc/45/58/17/570455817.db2.gz	PNARUOLTJDSYIV-IUUKEHGRSA-N	-1	0	360.240	5.518	10	10		FKCERM
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)c(O)c(O)c1O	ZINC000002584002	571683465	/nfs/dbraw/zinc/68/34/65/571683465.db2.gz	XQTQSUUULVXJPG-JTCWOHKRSA-N	-1	0	372.505	5.886	10	10	endogenous,in-man	FKCERM
O=C([O-])c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1	ZINC000004140544	219548607	/nfs/dbraw/zinc/54/86/07/219548607.db2.gz	UXCAARMZVPNWPL-VBQJREDUSA-N	-1	0	359.347	5.230	10	10		FKCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	ZINC000004333677	570585743	/nfs/dbraw/zinc/58/57/43/570585743.db2.gz	PNARUOLTJDSYIV-VNBZBWLYSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	ZINC000004333679	570585673	/nfs/dbraw/zinc/58/56/73/570585673.db2.gz	PNARUOLTJDSYIV-PZROIBLQSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	ZINC000004333681	204133980	/nfs/dbraw/zinc/13/39/80/204133980.db2.gz	PNARUOLTJDSYIV-OAVHHTNSSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	ZINC000004820644	207050978	/nfs/dbraw/zinc/05/09/78/207050978.db2.gz	RRCBSKUUIZVMFI-JCGVRSQUSA-N	-1	0	359.347	5.230	10	10		FKCERM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1N=Nc1ccc(C(C)(C)C)cc1	ZINC000013469075	211034834	/nfs/dbraw/zinc/03/48/34/211034834.db2.gz	LQKDZERKNAAEFG-GHVJWSGMSA-N	-1	0	368.868	6.253	10	10		FKCERM
O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000017887602	570767154	/nfs/dbraw/zinc/76/71/54/570767154.db2.gz	KXTCFEVQYPBFMS-QZQOTICOSA-N	-1	0	371.849	5.556	10	10		FKCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Cl)c1	ZINC000020335090	220322546	/nfs/dbraw/zinc/32/25/46/220322546.db2.gz	OYGADROHKNGYET-UHFFFAOYSA-N	-1	0	357.818	5.019	10	10		FKCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1	ZINC000020335093	220322966	/nfs/dbraw/zinc/32/29/66/220322966.db2.gz	AWMNXUMRFCUMLW-UHFFFAOYSA-N	-1	0	357.818	5.019	10	10		FKCERM
Cc1ccc(/C=C/C(=O)Nc2sc(-c3ccccc3)cc2C(=O)[O-])cc1	ZINC000020335151	220323021	/nfs/dbraw/zinc/32/30/21/220323021.db2.gz	NGBXEJUJQYTUMW-VAWYXSNFSA-N	-1	0	363.438	5.074	10	10		FKCERM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(Br)cc1F	ZINC000020556916	220333932	/nfs/dbraw/zinc/33/39/32/220333932.db2.gz	XOSJEIPBPVEPGY-UHFFFAOYSA-N	-1	0	365.029	5.213	10	10		FKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	ZINC000020598181	207747341	/nfs/dbraw/zinc/74/73/41/207747341.db2.gz	FAWZUVKEADDXNA-AHIWAGSCSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	ZINC000020598183	220335055	/nfs/dbraw/zinc/33/50/55/220335055.db2.gz	FAWZUVKEADDXNA-DCGLDWPTSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	ZINC000020598193	211289195	/nfs/dbraw/zinc/28/91/95/211289195.db2.gz	ABEJUXJVXQFAKB-AHIWAGSCSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	ZINC000020598195	211289387	/nfs/dbraw/zinc/28/93/87/211289387.db2.gz	ABEJUXJVXQFAKB-DCGLDWPTSA-N	-1	0	360.240	5.518	10	10		FKCERM
O=C([O-])c1ccc(-n2c(-c3cccc(Cl)c3)cc3c2CCCCC3)cc1	ZINC000049453769	221023295	/nfs/dbraw/zinc/02/32/95/221023295.db2.gz	ZJQJMSADOWNTIQ-UHFFFAOYSA-N	-1	0	365.860	5.765	10	10		FKCERM
CCc1ccc(-c2cc3c(n2-c2ccc(C(=O)[O-])cc2)CCCCC3)cc1	ZINC000049453770	221023455	/nfs/dbraw/zinc/02/34/55/221023455.db2.gz	PHSGKAOLSUIUOO-UHFFFAOYSA-N	-1	0	359.469	5.674	10	10		FKCERM
CC(C)c1ccc(-c2cc3c(n2-c2ccc(C(=O)[O-])cc2)CCCC3)cc1	ZINC000049453776	205171420	/nfs/dbraw/zinc/17/14/20/205171420.db2.gz	OZXMFKVATBYQGC-UHFFFAOYSA-N	-1	0	359.469	5.845	10	10		FKCERM
CCC[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)[O-])cc2)C1	ZINC000049453778	205171260	/nfs/dbraw/zinc/17/12/60/205171260.db2.gz	LJNBMDIERMOTPK-KRWDZBQOSA-N	-1	0	359.469	5.748	10	10		FKCERM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1N=Nc1ccc(C(C)(C)C)cc1	ZINC000100381215	570503586	/nfs/dbraw/zinc/50/35/86/570503586.db2.gz	LQKDZERKNAAEFG-FCQUAONHSA-N	-1	0	368.868	6.253	10	10		FKCERM
CCCc1cc(N=Nc2ccncc2)ccc1OCCCCCC(=O)[O-]	ZINC000255999408	210216828	/nfs/dbraw/zinc/21/68/28/210216828.db2.gz	RKSDFQDWVOJLAU-UHFFFAOYSA-N	-1	0	355.438	5.473	10	10		FKCERM