smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]c3cc(Cl)ccc3c(NC[C@@H](CC[NH+](C)C)c3ccccc3)c2c1	ZINC000008614616	556192266	/nfs/dbraw/zinc/19/22/66/556192266.db2.gz	HRBFTCJQAARQAL-LJQANCHMSA-N	2	0	433.983	6.197	40	10		IKCBRP
CCCCCC[NH2+]Cc1cc(C[NH2+]CCCCCC)c([O-])c(C[NH2+]CCCCCC)c1	ZINC000031962037	556528178	/nfs/dbraw/zinc/52/81/78/556528178.db2.gz	WDYKRINQZYNKCY-UHFFFAOYSA-N	2	0	433.725	6.402	40	10		IKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc([C@H](O)CC[NH+](C)C)cc3)c2c1	ZINC000031947010	556528213	/nfs/dbraw/zinc/52/82/13/556528213.db2.gz	ZZUFLNQKOYMXII-XMMPIXPASA-N	2	0	435.955	5.779	40	10		IKCBRP
CC[NH+](CC)CCC[C@H](C)Nc1c2ccccc2[nH+]c2c(C)cc(Br)cc12	ZINC000004428981	555994582	/nfs/dbraw/zinc/99/45/82/555994582.db2.gz	ZASRUGBLGJMDEL-KRWDZBQOSA-N	2	0	428.418	6.381	40	10		IKCBRP
CC[C@H](c1ccc(O)c(C[NH+](CC)CC)c1)[C@H](CC)c1ccc(O)c(C[NH+](CC)CC)c1	ZINC000004429822	555994862	/nfs/dbraw/zinc/99/48/62/555994862.db2.gz	KLAAJAVVGWYOPE-CLJLJLNGSA-N	2	0	440.672	6.469	40	10		IKCBRP
CC[NH+](CC)CCCCCCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004726532	556008462	/nfs/dbraw/zinc/00/84/62/556008462.db2.gz	XDESOPZVFRSNRT-UHFFFAOYSA-N	2	0	428.020	6.754	40	10		IKCBRP
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)c(C)c2[nH+]c2c(C)cc(OC)cc12	ZINC000005807599	556066394	/nfs/dbraw/zinc/06/63/94/556066394.db2.gz	YVKWDYYNICMEEA-KRWDZBQOSA-N	2	0	428.020	6.589	40	10		IKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NC[C@H](CC[NH+](C)C)c3ccccc3)c2c1	ZINC000004416435	555993543	/nfs/dbraw/zinc/99/35/43/555993543.db2.gz	HRBFTCJQAARQAL-IBGZPJMESA-N	2	0	433.983	6.197	40	10		IKCBRP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)c(C)c2[nH+]c2c(C)cc(OC)cc12	ZINC000005807593	556066341	/nfs/dbraw/zinc/06/63/41/556066341.db2.gz	YVKWDYYNICMEEA-QGZVFWFLSA-N	2	0	428.020	6.589	40	10		IKCBRP
CC[C@@H](c1ccc(O)c(C[NH+](CC)CC)c1)[C@@H](CC)c1ccc(O)c(C[NH+](CC)CC)c1	ZINC000004429819	555994594	/nfs/dbraw/zinc/99/45/94/555994594.db2.gz	KLAAJAVVGWYOPE-UIOOFZCWSA-N	2	0	440.672	6.469	40	10		IKCBRP
[O-]c1c(C[NH2+]C2CCCCC2)cc(C[NH2+]C2CCCCC2)cc1C[NH2+]C1CCCCC1	ZINC000004706018	556006943	/nfs/dbraw/zinc/00/69/43/556006943.db2.gz	NDPKKBMWWCJNAR-UHFFFAOYSA-N	2	0	427.677	5.659	40	10		IKCBRP
CC[NH+](CC)CCSCCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004428635	555994571	/nfs/dbraw/zinc/99/45/71/555994571.db2.gz	BYCSDSODGSHNKL-UHFFFAOYSA-N	2	0	432.033	5.927	40	10		IKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC3(c4ccccc4)CC[NH+](C)CC3)c2c1	ZINC000004769467	556011321	/nfs/dbraw/zinc/01/13/21/556011321.db2.gz	RUBQMSJOGFKSBL-UHFFFAOYSA-N	2	0	445.994	6.126	40	10		IKCBRP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2[nH+]c2cc(OC)c(OC)cc21	ZINC000006382048	556086380	/nfs/dbraw/zinc/08/63/80/556086380.db2.gz	BRGGGILPNYRZIN-MRXNPFEDSA-N	2	0	429.992	5.981	40	10		IKCBRP
CC[NH+](CC)Cc1cc(Nc2c3ccc(Cl)cc3[nH+]c(C)c2C2CCCC2)ccc1O	ZINC000001695615	555709937	/nfs/dbraw/zinc/70/99/37/555709937.db2.gz	IVXCCSZKWUMDNY-UHFFFAOYSA-N	2	0	438.015	7.145	40	10		IKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(O)c(C[NH+]4CCCC4)c3)c2c1	ZINC000004366439	555990455	/nfs/dbraw/zinc/99/04/55/555990455.db2.gz	HIOFSCQIOULIOU-UHFFFAOYSA-N	2	0	433.939	6.095	40	10		IKCBRP
CC[C@@H](c1ccc(O)c(C[NH+](CC)CC)c1)[C@H](CC)c1ccc(O)c(C[NH+](CC)CC)c1	ZINC000004429820	555994603	/nfs/dbraw/zinc/99/46/03/555994603.db2.gz	KLAAJAVVGWYOPE-WMPKNSHKSA-N	2	0	440.672	6.469	40	10		IKCBRP
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2[nH+]c2cc(OC)c(OC)cc21	ZINC000004428558	555994625	/nfs/dbraw/zinc/99/46/25/555994625.db2.gz	BRGGGILPNYRZIN-INIZCTEOSA-N	2	0	429.992	5.981	40	10		IKCBRP
CC[NH+](CC)CCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004726533	556008545	/nfs/dbraw/zinc/00/85/45/556008545.db2.gz	UGQUKIBVEBEAQH-UHFFFAOYSA-N	2	0	442.047	7.144	40	10		IKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc([C@@H](O)CC[NH+](C)C)cc3)c2c1	ZINC000004830966	556014039	/nfs/dbraw/zinc/01/40/39/556014039.db2.gz	ZZUFLNQKOYMXII-DEOSSOPVSA-N	2	0	435.955	5.779	40	10		IKCBRP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccccc2[nH+]c2c(C)cc(Br)cc12	ZINC000006382066	556086213	/nfs/dbraw/zinc/08/62/13/556086213.db2.gz	ZASRUGBLGJMDEL-QGZVFWFLSA-N	2	0	428.418	6.381	40	10		IKCBRP
CC/C(=C(\CC)c1ccc(O)c(C[NH+](CC)CC)c1)c1ccc(O)c(C[NH+](CC)CC)c1	ZINC000001666040	555708533	/nfs/dbraw/zinc/70/85/33/555708533.db2.gz	QFNJFVBKASKGEU-QPLCGJKRSA-N	2	0	438.656	6.512	40	10		IKCBRP