smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1	ZINC000444512518	1071327810	/nfs/dbraw/zinc/32/78/10/1071327810.db2.gz	USUROUIVBHXXMJ-UHFFFAOYSA-N	2	0	410.482	0.459	20	30		HBEDRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000562010825	1068652373	/nfs/dbraw/zinc/65/23/73/1068652373.db2.gz	OLVRCWCGULTLQA-IBGZPJMESA-N	2	0	400.527	-0.190	20	30		HBEDRP
CC(C)[C@@H]([NH2+]CC#CC[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)C(=O)N1CCOCC1	ZINC000572504536	1070757577	/nfs/dbraw/zinc/75/75/77/1070757577.db2.gz	VAPZARXAVPGTJZ-BGYRXZFFSA-N	2	0	422.570	-0.064	20	30		HBEDRP
CC(C)[C@H]([NH2+]CC#CC[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)C(=O)N1CCOCC1	ZINC000572504537	1070757774	/nfs/dbraw/zinc/75/77/74/1070757774.db2.gz	VAPZARXAVPGTJZ-PMACEKPBSA-N	2	0	422.570	-0.064	20	30		HBEDRP
CC(C)[C@@H]([NH2+]CC#CC[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)C(=O)N1CCOCC1	ZINC000572504538	1070757535	/nfs/dbraw/zinc/75/75/35/1070757535.db2.gz	VAPZARXAVPGTJZ-WOJBJXKFSA-N	2	0	422.570	-0.064	20	30		HBEDRP
N#CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000586850621	1070707318	/nfs/dbraw/zinc/70/73/18/1070707318.db2.gz	YDMIZPREWLCHFD-UHFFFAOYSA-N	2	0	413.526	-0.186	20	30		HBEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000587654080	1070720131	/nfs/dbraw/zinc/72/01/31/1070720131.db2.gz	MHCYBILMPHGNOB-UHFFFAOYSA-N	2	0	415.542	-0.010	20	30		HBEDRP
C=CCN1C(=O)C(=O)N(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O	ZINC000623230876	1072205830	/nfs/dbraw/zinc/20/58/30/1072205830.db2.gz	RXZGBBVHLQALIJ-UHFFFAOYSA-N	2	0	414.466	-0.313	20	30		HBEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN(C)C(=O)C2CC[NH+](CC#C)CC2)CC1	ZINC000820275465	1070993884	/nfs/dbraw/zinc/99/38/84/1070993884.db2.gz	OUONHHHYKGKDBO-FQEVSTJZSA-N	2	0	402.539	-0.388	20	30		HBEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN(C)C(=O)C2CC[NH+](CC#C)CC2)CC1	ZINC000820275466	1070993983	/nfs/dbraw/zinc/99/39/83/1070993983.db2.gz	OUONHHHYKGKDBO-HXUWFJFHSA-N	2	0	402.539	-0.388	20	30		HBEDRP