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(NCCCCC[NH+]3CCCCC3)c2c1	ZINC000004353145	557545068	/nfs/dbraw/zinc/54/50/68/557545068.db2.gz	MRDUIMWRCOBGBZ-UHFFFAOYSA-N	2	0	411.977	6.118	40	10		HKCBRP
CCCC[N@H+](CCO)Cc1cc(Nc2c3ccccc3[nH+]c3ccccc32)ccc1O	ZINC000004366367	557547534	/nfs/dbraw/zinc/54/75/34/557547534.db2.gz	KWXCOQPYBVERDB-UHFFFAOYSA-N	2	0	415.537	5.432	40	10		HKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[C@H](C)[NH+]3CCCCC3)c2c1	ZINC000004411118	557552543	/nfs/dbraw/zinc/55/25/43/557552543.db2.gz	ZOVSLDVNNYVHJF-KRWDZBQOSA-N	2	0	411.977	6.117	40	10		HKCBRP
CC[NH+](CC)Cc1cc(Nc2c3ccc(Cl)cc3[nH+]c3c(C)cccc23)ccc1O	ZINC000004522515	557563321	/nfs/dbraw/zinc/56/33/21/557563321.db2.gz	XWSLPKUUBNFIOR-UHFFFAOYSA-N	2	0	419.956	6.641	40	10		HKCBRP
CC[NH+](CC)CCC[C@H](C)Nc1c2ccccc2[nH+]c2cc(Cl)cc(Cl)c21	ZINC000004748377	557592319	/nfs/dbraw/zinc/59/23/19/557592319.db2.gz	UGDGOHZYNVAKEY-HNNXBMFYSA-N	2	0	404.385	6.617	40	10		HKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519367	557659464	/nfs/dbraw/zinc/65/94/64/557659464.db2.gz	WDOZYYCIYOXKKX-QMHKHESXSA-N	2	0	409.961	5.726	40	10		HKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519368	557659473	/nfs/dbraw/zinc/65/94/73/557659473.db2.gz	WDOZYYCIYOXKKX-WAIKUNEKSA-N	2	0	409.961	5.726	40	10		HKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519369	557659366	/nfs/dbraw/zinc/65/93/66/557659366.db2.gz	RRPCHVOTWQFQCR-BXKMTCNYSA-N	2	0	423.988	6.117	40	10		HKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519371	557659456	/nfs/dbraw/zinc/65/94/56/557659456.db2.gz	RRPCHVOTWQFQCR-MZNJEOGPSA-N	2	0	423.988	6.117	40	10		HKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[C@@H](C)[NH+]3CCCCC3)c2c1	ZINC000008602883	557796422	/nfs/dbraw/zinc/79/64/22/557796422.db2.gz	ZOVSLDVNNYVHJF-QGZVFWFLSA-N	2	0	411.977	6.117	40	10		HKCBRP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccccc2[nH+]c2cc(Cl)cc(Cl)c21	ZINC000031923641	520631949	/nfs/dbraw/zinc/63/19/49/520631949.db2.gz	UGDGOHZYNVAKEY-OAHLLOKOSA-N	2	0	404.385	6.617	40	10		HKCBRP
O=[N+](Nc1ccccc1)c1ccc(/N=N\c2ccc([N+](=O)Nc3ccccc3)cc2)cc1	ZINC000368119779	569387409	/nfs/dbraw/zinc/38/74/09/569387409.db2.gz	KPYWMXXWGQFHDB-QPLCGJKRSA-N	2	0	424.464	6.977	40	10		HKCBRP