smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217382178	569879938	/nfs/dbraw/zinc/87/99/38/569879938.db2.gz	OHFLJCKMHMASJF-GPSJFFNLSA-N	1	1	480.612	4.193	40	70		JIIBMO
COc1ccc(-c2coc3cc(OCC[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)ccc3c2=O)cc1	ZINC000217511344	569880119	/nfs/dbraw/zinc/88/01/19/569880119.db2.gz	SGDMNMGKDVFKQX-PZJWPPBQSA-N	1	1	484.552	4.128	40	70		JIIBMO
COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)[nH]n2)cc1OC	ZINC000218122693	569882799	/nfs/dbraw/zinc/88/27/99/569882799.db2.gz	FFHQGVJBUURWIH-QEUIGEMPSA-N	1	1	462.594	4.129	40	70		JIIBMO
COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)n[nH]2)cc1OC	ZINC000218122693	569882800	/nfs/dbraw/zinc/88/28/00/569882800.db2.gz	FFHQGVJBUURWIH-QEUIGEMPSA-N	1	1	462.594	4.129	40	70		JIIBMO
COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)n[nH]2)cc1OC	ZINC000218122693	569882801	/nfs/dbraw/zinc/88/28/01/569882801.db2.gz	FFHQGVJBUURWIH-QEUIGEMPSA-N	1	1	462.594	4.129	40	70		JIIBMO
COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc1	ZINC000218077352	569882619	/nfs/dbraw/zinc/88/26/19/569882619.db2.gz	CJSFTDVMBWLYJX-SVAWTBLWSA-N	1	1	460.622	4.358	40	70		JIIBMO
COc1ccc(-c2c(C)oc3cc(OCC[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)ccc3c2=O)cc1	ZINC000217514615	569880199	/nfs/dbraw/zinc/88/01/99/569880199.db2.gz	BNNGYPJGSHPZJA-RBBKRZOGSA-N	1	1	498.579	4.437	40	70		JIIBMO
COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)[nH]n2)cc1OC	ZINC000218122772	569882820	/nfs/dbraw/zinc/88/28/20/569882820.db2.gz	FFHQGVJBUURWIH-XBLPNDSKSA-N	1	1	462.594	4.129	40	70		JIIBMO
COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)n[nH]2)cc1OC	ZINC000218122772	569882821	/nfs/dbraw/zinc/88/28/21/569882821.db2.gz	FFHQGVJBUURWIH-XBLPNDSKSA-N	1	1	462.594	4.129	40	70		JIIBMO
COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)n[nH]2)cc1OC	ZINC000218122772	569882822	/nfs/dbraw/zinc/88/28/22/569882822.db2.gz	FFHQGVJBUURWIH-XBLPNDSKSA-N	1	1	462.594	4.129	40	70		JIIBMO
COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1	ZINC000218077440	569882645	/nfs/dbraw/zinc/88/26/45/569882645.db2.gz	CJSFTDVMBWLYJX-DOCBIHDTSA-N	1	1	460.622	4.358	40	70		JIIBMO
COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217382251	569879897	/nfs/dbraw/zinc/87/98/97/569879897.db2.gz	OHFLJCKMHMASJF-XPXNCJDLSA-N	1	1	480.612	4.193	40	70		JIIBMO