smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1	ZINC000069349803	406699047	/nfs/dbraw/zinc/69/90/47/406699047.db2.gz	APUYXTQXXHNPLZ-CQSZACIVSA-N	2	0	304.434	1.804	50	10		DDCARP
Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)c1O	ZINC000067783918	407284502	/nfs/dbraw/zinc/28/45/02/407284502.db2.gz	QMUUHKVZPXZTGO-UHFFFAOYSA-N	2	0	303.450	1.912	50	10		DDCARP
C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000015855922	696059753	/nfs/dbraw/zinc/05/97/53/696059753.db2.gz	FFLXKSYKPVJZPS-UHFFFAOYSA-N	2	0	319.449	1.672	50	10		DDCARP
C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1	ZINC000069349802	406700858	/nfs/dbraw/zinc/70/08/58/406700858.db2.gz	APUYXTQXXHNPLZ-AWEZNQCLSA-N	2	0	304.434	1.804	50	10		DDCARP
Oc1cc2c(cc1C[NH+]1CCN(c3cc[nH+]cc3)CC1)OCO2	ZINC000023847472	406891451	/nfs/dbraw/zinc/89/14/51/406891451.db2.gz	IHLFDUOBIXJQDH-UHFFFAOYSA-N	2	0	313.357	1.838	50	10		DDCARP
Oc1ccccc1C[NH2+]CCNCC[NH2+]Cc1ccccc1O	ZINC000034572331	406963996	/nfs/dbraw/zinc/96/39/96/406963996.db2.gz	HWBMOELHTRGVEP-UHFFFAOYSA-N	2	0	315.417	1.567	50	10		DDCARP
COc1ccc(C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)cc1C	ZINC000062640130	184246322	/nfs/dbraw/zinc/24/63/22/184246322.db2.gz	CLHJVNWPFUKCSB-UHFFFAOYSA-N	2	0	319.449	1.681	50	10		DDCARP
C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000078552708	407032902	/nfs/dbraw/zinc/03/29/02/407032902.db2.gz	CQJYVTUCFBAZPT-OAHLLOKOSA-N	2	0	307.413	1.704	50	10		DDCARP
C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000078552714	407033121	/nfs/dbraw/zinc/03/31/21/407033121.db2.gz	CQJYVTUCFBAZPT-HNNXBMFYSA-N	2	0	307.413	1.704	50	10		DDCARP