smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217372919	571601154	/nfs/dbraw/zinc/60/11/54/571601154.db2.gz	NTWGEIYDHYAVDJ-LPYUBCQDSA-N	0	1	570.602	2.517	40	70		KFIBMN
COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217373004	571601073	/nfs/dbraw/zinc/60/10/73/571601073.db2.gz	NTWGEIYDHYAVDJ-XYTRMVCOSA-N	0	1	570.602	2.517	40	70		KFIBMN
COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217373492	571601131	/nfs/dbraw/zinc/60/11/31/571601131.db2.gz	HKHWVPSZKLHYNK-NRQVDECXSA-N	0	1	616.671	2.814	40	70		KFIBMN
COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217373563	571601097	/nfs/dbraw/zinc/60/10/97/571601097.db2.gz	HKHWVPSZKLHYNK-KOPNRUOBSA-N	0	1	616.671	2.814	40	70		KFIBMN
COc1ccccc1C[C@@]1(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000217375032	571601174	/nfs/dbraw/zinc/60/11/74/571601174.db2.gz	HYQPARXNRKQMOW-JYFHCQJQSA-N	0	1	540.620	2.784	40	70		KFIBMN
COc1ccccc1C[C@@]1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000217375032	571601171	/nfs/dbraw/zinc/60/11/71/571601171.db2.gz	HYQPARXNRKQMOW-JYFHCQJQSA-N	0	1	540.620	2.784	40	70		KFIBMN
COc1ccccc1C[C@@]1(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)NC(=O)N(Cc2ccccc2)C1=O	ZINC000217375032	571601168	/nfs/dbraw/zinc/60/11/68/571601168.db2.gz	HYQPARXNRKQMOW-JYFHCQJQSA-N	0	1	540.620	2.784	40	70		KFIBMN
COc1ccccc1C[C@]1(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000217375113	571601252	/nfs/dbraw/zinc/60/12/52/571601252.db2.gz	HYQPARXNRKQMOW-DEDGKJITSA-N	0	1	540.620	2.784	40	70		KFIBMN
COc1ccccc1C[C@]1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000217375113	571601250	/nfs/dbraw/zinc/60/12/50/571601250.db2.gz	HYQPARXNRKQMOW-DEDGKJITSA-N	0	1	540.620	2.784	40	70		KFIBMN
COc1ccccc1C[C@]1(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)NC(=O)N(Cc2ccccc2)C1=O	ZINC000217375113	571601248	/nfs/dbraw/zinc/60/12/48/571601248.db2.gz	HYQPARXNRKQMOW-DEDGKJITSA-N	0	1	540.620	2.784	40	70		KFIBMN
COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000217411380	571601356	/nfs/dbraw/zinc/60/13/56/571601356.db2.gz	VDNDMXJHXMOBLZ-JOUUIMRQSA-N	0	1	570.646	2.792	40	70		KFIBMN
COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000217411380	571601354	/nfs/dbraw/zinc/60/13/54/571601354.db2.gz	VDNDMXJHXMOBLZ-JOUUIMRQSA-N	0	1	570.646	2.792	40	70		KFIBMN
COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000217411450	571601391	/nfs/dbraw/zinc/60/13/91/571601391.db2.gz	VDNDMXJHXMOBLZ-XNSHOJTPSA-N	0	1	570.646	2.792	40	70		KFIBMN
COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000217411450	571601390	/nfs/dbraw/zinc/60/13/90/571601390.db2.gz	VDNDMXJHXMOBLZ-XNSHOJTPSA-N	0	1	570.646	2.792	40	70		KFIBMN
COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217447806	571601650	/nfs/dbraw/zinc/60/16/50/571601650.db2.gz	XBJYDSQMRDDDCT-ILLIAVPXSA-N	0	1	532.622	2.850	40	70		KFIBMN