smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH+]ccn1Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2C)ccc1OC	ZINC000585292186	559124692	/nfs/dbraw/zinc/12/46/92/559124692.db2.gz	FQYNHEPXBKBXED-JOCHJYFZSA-N	2	1	423.557	3.649	40	10		HHCBMP
CNc1cc(C[N@@H+](C)Cc2ccc(N3CCC[C@@H](C)C3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000019710171	558971859	/nfs/dbraw/zinc/97/18/59/558971859.db2.gz	CTEDQVUKKCHDEV-LJQANCHMSA-N	2	1	422.621	3.854	40	10		HHCBMP
COc1ccc(C2([NH2+]Cc3ccc(O)c(CN4CC[NH+](C)CC4)c3)CCCC2)cc1	ZINC000019590062	558940615	/nfs/dbraw/zinc/94/06/15/558940615.db2.gz	XJBJCEMCYTWIQC-UHFFFAOYSA-N	2	1	409.574	3.707	40	10		HHCBMP
CNc1cc(C[N@@H+](C)Cc2ccc(N3CCC[C@H](C)C3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000072370119	558956334	/nfs/dbraw/zinc/95/63/34/558956334.db2.gz	CTEDQVUKKCHDEV-IBGZPJMESA-N	2	1	422.621	3.854	40	10		HHCBMP
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2)C1	ZINC000219243480	568488506	/nfs/dbraw/zinc/48/85/06/568488506.db2.gz	TUYTTZRJAFBBAT-NRFANRHFSA-N	2	1	420.601	3.600	40	10		HHCBMP
CCc1[nH+]ccn1Cc1cc(C[NH2+]C[C@H](O)COc2ccc(C)cc2C)ccc1OC	ZINC000585292190	559124737	/nfs/dbraw/zinc/12/47/37/559124737.db2.gz	FQYNHEPXBKBXED-QFIPXVFZSA-N	2	1	423.557	3.649	40	10		HHCBMP
[NH2+]=C/C(c1ccnc2ccccc21)=C1\NC=C(c2ccc(N3CC[NH2+]CC3)cc2)C=[NH+]1	ZINC000252286720	568751805	/nfs/dbraw/zinc/75/18/05/568751805.db2.gz	FXFWSXFDPAHNQZ-MERYLAAMSA-N	3	1	408.509	3.678	40	10		HHCBMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2)C1	ZINC000219243422	568488467	/nfs/dbraw/zinc/48/84/67/568488467.db2.gz	TUYTTZRJAFBBAT-OAQYLSRUSA-N	2	1	420.601	3.600	40	10		HHCBMP