smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](Cc3c(O)c(C[NH+]4CCCCCC4)coc3=O)CC2)cc1	ZINC000101408880	557284005	/nfs/dbraw/zinc/28/40/05/557284005.db2.gz	DRJDLZMJTJJIAK-UHFFFAOYSA-N	2	2	427.545	3.052	50	10		IGCALP
COC(=O)C=C1[NH2+]N(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000019636637	556835558	/nfs/dbraw/zinc/83/55/58/556835558.db2.gz	QJFFEXGEVYMUOG-QNGOZBTKSA-N	2	2	442.560	3.134	50	10		IGCALP
COc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1O	ZINC000067868360	556847752	/nfs/dbraw/zinc/84/77/52/556847752.db2.gz	DUJJTAUYPXTYLN-FQEVSTJZSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1O	ZINC000067868360	556847753	/nfs/dbraw/zinc/84/77/53/556847753.db2.gz	DUJJTAUYPXTYLN-FQEVSTJZSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c(O)c1	ZINC000023311265	557083506	/nfs/dbraw/zinc/08/35/06/557083506.db2.gz	ZQTJQERACSBKIP-FQEVSTJZSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c(O)c1	ZINC000023311265	557083508	/nfs/dbraw/zinc/08/35/08/557083508.db2.gz	ZQTJQERACSBKIP-FQEVSTJZSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1O	ZINC000067868358	556847769	/nfs/dbraw/zinc/84/77/69/556847769.db2.gz	DUJJTAUYPXTYLN-HXUWFJFHSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1O	ZINC000067868358	556847772	/nfs/dbraw/zinc/84/77/72/556847772.db2.gz	DUJJTAUYPXTYLN-HXUWFJFHSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCCCC4)c3O)CC2)cc1	ZINC000101374599	557281159	/nfs/dbraw/zinc/28/11/59/557281159.db2.gz	FUKRZMUXCNVEFS-UHFFFAOYSA-N	2	2	427.545	3.052	50	10		IGCALP
CCOC(=O)c1c(C[NH+](C)C)n(C)c2cc(-c3ccncc3)c(O)c(Cn3cc[nH+]c3)c21	ZINC000085393616	568817305	/nfs/dbraw/zinc/81/73/05/568817305.db2.gz	YFVGEPNUDFLFAR-UHFFFAOYSA-N	2	2	433.512	3.429	50	10		IGCALP
COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c(O)c1	ZINC000023311269	557083383	/nfs/dbraw/zinc/08/33/83/557083383.db2.gz	ZQTJQERACSBKIP-HXUWFJFHSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c(O)c1	ZINC000023311269	557083389	/nfs/dbraw/zinc/08/33/89/557083389.db2.gz	ZQTJQERACSBKIP-HXUWFJFHSA-N	2	2	438.572	3.137	50	10		IGCALP
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[N@H+](C)Cc4ccccc4)c3O)CC2)cc1	ZINC000101373528	557276927	/nfs/dbraw/zinc/27/69/27/557276927.db2.gz	WWMPQTZVLMBQMY-UHFFFAOYSA-N	2	2	449.551	3.308	50	10		IGCALP
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[N@@H+](C)Cc4ccccc4)c3O)CC2)cc1	ZINC000101373528	557276930	/nfs/dbraw/zinc/27/69/30/557276930.db2.gz	WWMPQTZVLMBQMY-UHFFFAOYSA-N	2	2	449.551	3.308	50	10		IGCALP