smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1ccccc1C2=O	ZINC000005919442	556069247	/nfs/dbraw/zinc/06/92/47/556069247.db2.gz	SKFYKJLSKFOQLM-UHFFFAOYSA-N	2	0	436.600	3.969	50	10		IHCARP
CC[NH+](CC)CCNc1cccc2c1C(=O)c1cccc(NCC[NH+](CC)CC)c1C2=O	ZINC000027524271	563043005	/nfs/dbraw/zinc/04/30/05/563043005.db2.gz	IKPZNOSJYRZOCZ-UHFFFAOYSA-N	2	0	436.600	3.969	50	10		IHCARP
C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)CC1	ZINC000067604840	556844045	/nfs/dbraw/zinc/84/40/45/556844045.db2.gz	FQFGBQSXXPNXRP-UHFFFAOYSA-N	2	0	441.019	3.620	50	10		IHCARP
COc1cccc(O)c1CN(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000022919753	557046704	/nfs/dbraw/zinc/04/67/04/557046704.db2.gz	FVMHZWNHELNHKK-HXUWFJFHSA-N	2	0	429.580	3.816	50	10		IHCARP
COCC[N@@H+](Cc1c(O)cccc1OC)CC1CC[NH+](Cc2ccccc2OC)CC1	ZINC000015062647	556491027	/nfs/dbraw/zinc/49/10/27/556491027.db2.gz	OQVZENOZEKUDTH-UHFFFAOYSA-N	2	0	428.573	3.770	50	10		IHCARP
C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)CC1	ZINC000067603476	556843577	/nfs/dbraw/zinc/84/35/77/556843577.db2.gz	BCAZDGUTZVCQQB-UHFFFAOYSA-N	2	0	441.019	3.620	50	10		IHCARP
C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)CC1	ZINC000067630016	556845110	/nfs/dbraw/zinc/84/51/10/556845110.db2.gz	MBBDHLBDGYTHRM-UHFFFAOYSA-N	2	0	441.019	3.620	50	10		IHCARP
COc1cccc(O)c1CN(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000022919758	557046926	/nfs/dbraw/zinc/04/69/26/557046926.db2.gz	FVMHZWNHELNHKK-FQEVSTJZSA-N	2	0	429.580	3.816	50	10		IHCARP
CC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1ccc(OCC[NH+](CC)CC)cc1C2=O	ZINC000027523319	563042945	/nfs/dbraw/zinc/04/29/45/563042945.db2.gz	IWVBCTKXORWDNV-UHFFFAOYSA-N	2	0	438.568	3.903	50	10		IHCARP