smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCO)c1ccc[n+](CCCCCC[n+]2cccc(C(=O)NCCO)c2)c1	ZINC000004529930	568908326	/nfs/dbraw/zinc/90/83/26/568908326.db2.gz	FRBBADWTQQDWGA-UHFFFAOYSA-P	2	0	416.522	-0.034	50	0		HBAARP
Cn1ccnc1CN1C[C@H](C(=O)NCC[NH+](C)C)C[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000023353780	558551147	/nfs/dbraw/zinc/55/11/47/558551147.db2.gz	VQWNXEIYPWLQIQ-RTBURBONSA-N	2	0	405.591	-0.217	50	0		HBAARP
CCn1c2c(C(=O)NCCN3CC[NH+](CC)CC3)cnn2c(=O)c2c1CC[NH2+]C2	ZINC000064966233	569137435	/nfs/dbraw/zinc/13/74/35/569137435.db2.gz	RWTRJHPINNHADV-UHFFFAOYSA-N	2	0	401.515	-0.471	50	0		HBAARP
CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)CC3)OC2=O)CC1	ZINC000077322454	559001484	/nfs/dbraw/zinc/00/14/84/559001484.db2.gz	CSNZVNXGISGLEC-SJORKVTESA-N	2	0	411.547	-0.465	50	0		HBAARP
CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@@H]4C[NH2+]CCO4)CC3)OC2=O)CC1	ZINC000077470320	559006336	/nfs/dbraw/zinc/00/63/36/559006336.db2.gz	VAICRMLQSILWLJ-KRWDZBQOSA-N	2	0	409.531	-0.574	50	0		HBAARP
CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@H]4C[NH2+]CCO4)CC3)OC2=O)CC1	ZINC000077470321	559006298	/nfs/dbraw/zinc/00/62/98/559006298.db2.gz	VAICRMLQSILWLJ-QGZVFWFLSA-N	2	0	409.531	-0.574	50	0		HBAARP
C[NH+](C)CCN1C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]2C1=O)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(CC[NH+](C)C)C(=O)[C@H]21	ZINC000245247943	569055367	/nfs/dbraw/zinc/05/53/67/569055367.db2.gz	ZJIMJQMTZRUCMJ-ARPMDMGNSA-N	2	0	414.506	-0.626	50	0		HBAARP
C[NH+](C)CCN1C(=O)[C@H]2[C@H]3[C@@H]([C@@H]2C1=O)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(CC[NH+](C)C)C(=O)[C@H]21	ZINC000245247945	569055381	/nfs/dbraw/zinc/05/53/81/569055381.db2.gz	ZJIMJQMTZRUCMJ-ONUKOXERSA-N	2	0	414.506	-0.626	50	0		HBAARP
C[NH+](C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(CC[NH+](C)C)C(=O)[C@@H]12	ZINC000245247946	569055339	/nfs/dbraw/zinc/05/53/39/569055339.db2.gz	ZJIMJQMTZRUCMJ-YNSXVIEXSA-N	2	0	414.506	-0.626	50	0		HBAARP