smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[NH+](CCCc2ccccc2)CC1	ZINC000012314356	568466624	/nfs/dbraw/zinc/46/66/24/568466624.db2.gz	DJFRZDPGCAGTAK-NRFANRHFSA-N	2	1	400.567	1.752	10	0		HDAEMP
CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[NH+](CCCc2ccccc2)CC1	ZINC000012314356	568466625	/nfs/dbraw/zinc/46/66/25/568466625.db2.gz	DJFRZDPGCAGTAK-NRFANRHFSA-N	2	1	400.567	1.752	10	0		HDAEMP
CC(C)[NH+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000012314356	568466626	/nfs/dbraw/zinc/46/66/26/568466626.db2.gz	DJFRZDPGCAGTAK-NRFANRHFSA-N	2	1	400.567	1.752	10	0		HDAEMP
CC(C)[NH+]1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000012314356	568466627	/nfs/dbraw/zinc/46/66/27/568466627.db2.gz	DJFRZDPGCAGTAK-NRFANRHFSA-N	2	1	400.567	1.752	10	0		HDAEMP
CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1Oc1nnnn1-c1ccccc1	ZINC000013733330	558587564	/nfs/dbraw/zinc/58/75/64/558587564.db2.gz	BDAQVSWJYJGYTE-UHFFFAOYSA-N	2	1	412.494	1.915	10	0		HDAEMP
Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)NCCN4CC[NH+](C)CC4)n3C)C2)cc1	ZINC000065210945	558655348	/nfs/dbraw/zinc/65/53/48/558655348.db2.gz	CQHCHKLKZBRCHI-UHFFFAOYSA-N	2	1	409.578	1.869	10	0		HDAEMP
Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)NCCN4CC[NH+](C)CC4)n3C)C2)cc1	ZINC000065210945	558655352	/nfs/dbraw/zinc/65/53/52/558655352.db2.gz	CQHCHKLKZBRCHI-UHFFFAOYSA-N	2	1	409.578	1.869	10	0		HDAEMP
CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC[NH+](CCCc2ccccc2)CC1	ZINC000012314357	568466354	/nfs/dbraw/zinc/46/63/54/568466354.db2.gz	DJFRZDPGCAGTAK-OAQYLSRUSA-N	2	1	400.567	1.752	10	0		HDAEMP
CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC[NH+](CCCc2ccccc2)CC1	ZINC000012314357	568466355	/nfs/dbraw/zinc/46/63/55/568466355.db2.gz	DJFRZDPGCAGTAK-OAQYLSRUSA-N	2	1	400.567	1.752	10	0		HDAEMP
CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000012314357	568466356	/nfs/dbraw/zinc/46/63/56/568466356.db2.gz	DJFRZDPGCAGTAK-OAQYLSRUSA-N	2	1	400.567	1.752	10	0		HDAEMP
CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000012314357	568466357	/nfs/dbraw/zinc/46/63/57/568466357.db2.gz	DJFRZDPGCAGTAK-OAQYLSRUSA-N	2	1	400.567	1.752	10	0		HDAEMP
Cc1ccc(C(=O)N(CC[NH+]2CCCCC2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000046141067	558839928	/nfs/dbraw/zinc/83/99/28/558839928.db2.gz	SMFCFKNCTKPLIL-UHFFFAOYSA-N	2	1	422.595	1.158	10	0		HDAEMP
Cc1ccccc1C(=O)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CC[NH2+]CC1	ZINC000046141068	558839891	/nfs/dbraw/zinc/83/98/91/558839891.db2.gz	WQYARGRMJQWISW-UHFFFAOYSA-N	2	1	422.595	1.158	10	0		HDAEMP
Cc1cc(C)c(S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1C	ZINC000045974188	524315572	/nfs/dbraw/zinc/31/55/72/524315572.db2.gz	YMEQKVNZGKKDHR-UHFFFAOYSA-N	2	1	422.595	1.130	10	0		HDAEMP
C[NH+](C)CCNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000023359120	558551389	/nfs/dbraw/zinc/55/13/89/558551389.db2.gz	BCSCIFKEIHLIFM-XZOQPEGZSA-N	3	1	415.626	1.583	10	0		HDAEMP
CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCC[NH+](C)C)CC1	ZINC000023359120	558551391	/nfs/dbraw/zinc/55/13/91/558551391.db2.gz	BCSCIFKEIHLIFM-XZOQPEGZSA-N	2	1	415.626	1.583	10	0		HDAEMP
CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCC[NH+](C)C)CC1	ZINC000023359120	558551392	/nfs/dbraw/zinc/55/13/92/558551392.db2.gz	BCSCIFKEIHLIFM-XZOQPEGZSA-N	2	1	415.626	1.583	10	0		HDAEMP
CN1CCN(C(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)CC1	ZINC000328604399	569417332	/nfs/dbraw/zinc/41/73/32/569417332.db2.gz	JMQCCABJDFRYPN-AUSIDOKSSA-N	2	1	409.534	1.788	10	0		HDAEMP
CN1CCN(C(=O)CN2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)CC1	ZINC000328604399	569417334	/nfs/dbraw/zinc/41/73/34/569417334.db2.gz	JMQCCABJDFRYPN-AUSIDOKSSA-N	2	1	409.534	1.788	10	0		HDAEMP
CN1C[C@H]([NH2+]Cc2ccc(F)cc2)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O	ZINC000096113395	291193665	/nfs/dbraw/zinc/19/36/65/291193665.db2.gz	HLUGMTHGUGFVHD-UYAOXDASSA-N	2	1	404.530	1.707	10	0	biogenic	HDAEMP
CC(C)C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1	ZINC000012281022	558365230	/nfs/dbraw/zinc/36/52/30/558365230.db2.gz	FAJJFBTXYNKUGG-RBBKRZOGSA-N	2	1	408.631	1.998	10	0		HDAEMP