smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067789272	136137661	/nfs/dbraw/zinc/13/76/61/136137661.db2.gz	JNRROLNNBVFKMG-SFHVURJKSA-N	2	2	361.486	1.821	50	10		FDCALP
OC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067789272	136137662	/nfs/dbraw/zinc/13/76/62/136137662.db2.gz	JNRROLNNBVFKMG-SFHVURJKSA-N	2	2	361.486	1.821	50	10		FDCALP
COc1ccc(N2CCC([N@@H+]3CCO[C@]4(C3)C[NH2+]CCOC4)CC2)cc1	ZINC000072162748	536670551	/nfs/dbraw/zinc/67/05/51/536670551.db2.gz	AWILWACLXDZOQU-FQEVSTJZSA-N	2	2	361.486	1.355	50	10		FDCALP
COc1ccc(N2CCC([N@H+]3CCO[C@]4(C3)C[NH2+]CCOC4)CC2)cc1	ZINC000072162748	536670554	/nfs/dbraw/zinc/67/05/54/536670554.db2.gz	AWILWACLXDZOQU-FQEVSTJZSA-N	2	2	361.486	1.355	50	10		FDCALP
OC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067789271	136137584	/nfs/dbraw/zinc/13/75/84/136137584.db2.gz	JNRROLNNBVFKMG-GOSISDBHSA-N	2	2	361.486	1.821	50	10		FDCALP
OC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067789271	136137585	/nfs/dbraw/zinc/13/75/85/136137585.db2.gz	JNRROLNNBVFKMG-GOSISDBHSA-N	2	2	361.486	1.821	50	10		FDCALP
COc1ccc(N2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)[nH+]c(N)n3)CC2)cc1	ZINC000243892781	132289413	/nfs/dbraw/zinc/28/94/13/132289413.db2.gz	ALDYRSGCPJMXHZ-OKILXGFUSA-N	2	2	354.458	1.599	50	10		FDCALP
COc1ccc(N2CCC([N@@H+]3CCO[C@@]4(C3)C[NH2+]CCOC4)CC2)cc1	ZINC000072162746	536670617	/nfs/dbraw/zinc/67/06/17/536670617.db2.gz	AWILWACLXDZOQU-HXUWFJFHSA-N	2	2	361.486	1.355	50	10		FDCALP
COc1ccc(N2CCC([N@H+]3CCO[C@@]4(C3)C[NH2+]CCOC4)CC2)cc1	ZINC000072162746	536670624	/nfs/dbraw/zinc/67/06/24/536670624.db2.gz	AWILWACLXDZOQU-HXUWFJFHSA-N	2	2	361.486	1.355	50	10		FDCALP
COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2(C)C)cc1	ZINC000091846300	132204358	/nfs/dbraw/zinc/20/43/58/132204358.db2.gz	CCEVUPCFTMCLPD-KRWDZBQOSA-N	2	2	357.458	1.416	50	10		FDCALP
Oc1c(O)c(C[NH+]2CCOCC2)c2ccccc2c1C[NH+]1CCOCC1	ZINC000020533789	220330980	/nfs/dbraw/zinc/33/09/80/220330980.db2.gz	ATRVAVIQJJOZMW-UHFFFAOYSA-N	2	2	358.438	1.915	50	10		FDCALP
Oc1ccc2c(ccc(O)c2C[NH+]2CCOCC2)c1C[NH+]1CCOCC1	ZINC000022204966	220379066	/nfs/dbraw/zinc/37/90/66/220379066.db2.gz	XRKCJWANICEGOO-UHFFFAOYSA-N	2	2	358.438	1.915	50	10		FDCALP