smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Oc2ccccc2)cc1	ZINC000218273845	557186895	/nfs/dbraw/zinc/18/68/95/557186895.db2.gz	ZZUUAYANAWPKAL-UHFFFAOYSA-N	1	1	447.557	2.083	40	70		IEIBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216867386	557159681	/nfs/dbraw/zinc/15/96/81/557159681.db2.gz	BCKSWJKFUVQVGT-FQEVSTJZSA-N	1	1	436.622	2.007	40	70		IEIBMO
Cc1ccccc1CN(c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000218331450	557193454	/nfs/dbraw/zinc/19/34/54/557193454.db2.gz	XQFSFQLLUOBETI-UHFFFAOYSA-N	1	1	445.585	2.413	40	70		IEIBMO
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1C[NH+]1CCCCCC1	ZINC000217559985	557171530	/nfs/dbraw/zinc/17/15/30/557171530.db2.gz	HSOIAQSJLYVVJJ-RBUKOAKNSA-N	1	1	438.572	2.248	40	70		IEIBMO
COc1cc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc(OC)c1OC	ZINC000217692371	557173332	/nfs/dbraw/zinc/17/33/32/557173332.db2.gz	WBIHFVSNQDFSIS-JENIJYKNSA-N	1	1	445.560	2.446	40	70		IEIBMO
COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1OC	ZINC000217709072	557173361	/nfs/dbraw/zinc/17/33/61/557173361.db2.gz	BILVACWSJNEWCP-PCCBWWKXSA-N	1	1	443.588	2.476	40	70		IEIBMO
COC(=O)C[C@H](c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C(C)C	ZINC000217962983	557175073	/nfs/dbraw/zinc/17/50/73/557175073.db2.gz	WAWOTHXNLZPALE-JZXOWHBKSA-N	1	1	442.512	2.429	40	70		IEIBMO
COC(=O)C[C@H](c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C(C)C	ZINC000217962983	557175079	/nfs/dbraw/zinc/17/50/79/557175079.db2.gz	WAWOTHXNLZPALE-JZXOWHBKSA-N	1	1	442.512	2.429	40	70		IEIBMO
Cc1ccc(CN(c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1	ZINC000218315022	557192463	/nfs/dbraw/zinc/19/24/63/557192463.db2.gz	WIMXRQPUTSIYEI-UHFFFAOYSA-N	1	1	445.585	2.413	40	70		IEIBMO
CC1CCN(Cc2c(O)c(=O)cc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)n2C)CC1	ZINC000217562087	557171426	/nfs/dbraw/zinc/17/14/26/557171426.db2.gz	RRJHGBUWGMKKPK-RBUKOAKNSA-N	1	1	438.572	2.104	40	70		IEIBMO
CC1CCN(Cc2c(O)c(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)n2C)CC1	ZINC000217562087	557171431	/nfs/dbraw/zinc/17/14/31/557171431.db2.gz	RRJHGBUWGMKKPK-RBUKOAKNSA-N	1	1	438.572	2.104	40	70		IEIBMO
COC(=O)C[C@@H](c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C(C)C	ZINC000217962903	557175154	/nfs/dbraw/zinc/17/51/54/557175154.db2.gz	WAWOTHXNLZPALE-LZLYRXPVSA-N	1	1	442.512	2.429	40	70		IEIBMO
COC(=O)C[C@@H](c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C(C)C	ZINC000217962903	557175156	/nfs/dbraw/zinc/17/51/56/557175156.db2.gz	WAWOTHXNLZPALE-LZLYRXPVSA-N	1	1	442.512	2.429	40	70		IEIBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216867359	557159756	/nfs/dbraw/zinc/15/97/56/557159756.db2.gz	BCKSWJKFUVQVGT-HXUWFJFHSA-N	1	1	436.622	2.007	40	70		IEIBMO