smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043834621	563171115	/nfs/dbraw/zinc/17/11/15/563171115.db2.gz	WOZWTYPOZZHVFU-UHFFFAOYSA-N	1	1	483.953	3.032	40	70		JGIBMO
COC(=O)C[C@@H](c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C1CCCCC1	ZINC000217951443	569882197	/nfs/dbraw/zinc/88/21/97/569882197.db2.gz	VHQVZZNFXAUIPJ-FBBABVLZSA-N	1	1	482.577	3.353	40	70		JGIBMO
COC(=O)C[C@@H](c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C1CCCCC1	ZINC000217951443	569882198	/nfs/dbraw/zinc/88/21/98/569882198.db2.gz	VHQVZZNFXAUIPJ-FBBABVLZSA-N	1	1	482.577	3.353	40	70		JGIBMO
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217610006	569880548	/nfs/dbraw/zinc/88/05/48/569880548.db2.gz	YEOGNTRCDZYZBO-KFWWJZLASA-N	1	1	468.941	3.216	40	70		JGIBMO
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217610006	569880549	/nfs/dbraw/zinc/88/05/49/569880549.db2.gz	YEOGNTRCDZYZBO-KFWWJZLASA-N	1	1	468.941	3.216	40	70		JGIBMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307528	563169397	/nfs/dbraw/zinc/16/93/97/563169397.db2.gz	HOFXDBPVYRZUDG-UHFFFAOYSA-N	1	1	497.980	3.422	40	70		JGIBMO
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000217562967	569880315	/nfs/dbraw/zinc/88/03/15/569880315.db2.gz	BMWNCWWOEBAAQB-KJIDJHTKSA-N	1	1	492.664	3.273	40	70		JGIBMO
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000217562967	569880316	/nfs/dbraw/zinc/88/03/16/569880316.db2.gz	BMWNCWWOEBAAQB-KJIDJHTKSA-N	1	1	492.664	3.273	40	70		JGIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccccc3)cc2)CC1	ZINC000216797407	569879383	/nfs/dbraw/zinc/87/93/83/569879383.db2.gz	RRBNMIWGOYSVRC-UHFFFAOYSA-N	1	1	498.649	3.036	40	70		JGIBMO
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217609912	569880577	/nfs/dbraw/zinc/88/05/77/569880577.db2.gz	YEOGNTRCDZYZBO-ZNMIVQPWSA-N	1	1	468.941	3.216	40	70		JGIBMO
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217609912	569880578	/nfs/dbraw/zinc/88/05/78/569880578.db2.gz	YEOGNTRCDZYZBO-ZNMIVQPWSA-N	1	1	468.941	3.216	40	70		JGIBMO
COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)n2)cc1	ZINC000218070309	569882621	/nfs/dbraw/zinc/88/26/21/569882621.db2.gz	KZIOAMWPECCFDZ-DOCBIHDTSA-N	1	1	474.605	3.341	40	70		JGIBMO
COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)n2)cc1	ZINC000218070225	569882647	/nfs/dbraw/zinc/88/26/47/569882647.db2.gz	KZIOAMWPECCFDZ-SVAWTBLWSA-N	1	1	474.605	3.341	40	70		JGIBMO
O=C(CCCc1cn(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc12)N1CCOCC1	ZINC000217528654	569880243	/nfs/dbraw/zinc/88/02/43/569880243.db2.gz	WEROGHWYOMMSTN-JTHBVZDNSA-N	1	1	474.605	3.061	40	70		JGIBMO
COC(=O)C[C@H](c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C1CCCCC1	ZINC000217951513	569882216	/nfs/dbraw/zinc/88/22/16/569882216.db2.gz	VHQVZZNFXAUIPJ-DSKINZAPSA-N	1	1	482.577	3.353	40	70		JGIBMO
COC(=O)C[C@H](c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O)C1CCCCC1	ZINC000217951513	569882217	/nfs/dbraw/zinc/88/22/17/569882217.db2.gz	VHQVZZNFXAUIPJ-DSKINZAPSA-N	1	1	482.577	3.353	40	70		JGIBMO