smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNc1nc(NC2CC[NH+](C(C)C)CC2)nc(NC2CC[NH+](C(C)C)CC2)n1	ZINC000804330282	1079321511	/nfs/dbraw/zinc/32/15/11/1079321511.db2.gz	RWEIIQPEKHZBPW-UHFFFAOYSA-N	2	0	414.602	2.486	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164896276	721510137	/nfs/dbraw/zinc/51/01/37/721510137.db2.gz	AJSBAUILTBVNBP-UYAOXDASSA-N	2	0	407.493	2.470	20	30		HEEDRP
C#CCNc1nc(NC2CC[NH+](CCC)CC2)nc(NC2CC[NH+](CCC)CC2)n1	ZINC000804332209	1079346507	/nfs/dbraw/zinc/34/65/07/1079346507.db2.gz	ZUOQYYVHJNYHCF-UHFFFAOYSA-N	2	0	414.602	2.489	20	30		HEEDRP
C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000772110202	1079714158	/nfs/dbraw/zinc/71/41/58/1079714158.db2.gz	ONXKWVIDGPHGII-LJQANCHMSA-N	2	0	411.546	2.044	20	30		HEEDRP
C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000772110100	1079713974	/nfs/dbraw/zinc/71/39/74/1079713974.db2.gz	ONXKWVIDGPHGII-IBGZPJMESA-N	2	0	411.546	2.044	20	30		HEEDRP
N#CC1(c2cccnc2-n2cncc2C[C@@H]([NH3+])CO)CC[NH+](Cc2ccccc2)CC1	ZINC001169072741	1079124996	/nfs/dbraw/zinc/12/49/96/1079124996.db2.gz	WAIJXQZQAAFPQO-HXUWFJFHSA-N	2	0	416.529	2.187	20	30		HEEDRP
C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1	ZINC000772114291	1079715500	/nfs/dbraw/zinc/71/55/00/1079715500.db2.gz	ZGRVDILCUHRIBH-UHFFFAOYSA-N	2	0	415.559	2.062	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C1)C[NH2+]CCC2	ZINC001164979323	722100084	/nfs/dbraw/zinc/10/00/84/722100084.db2.gz	IAGPTFDRYAUZOO-CVDCTZTESA-N	2	0	418.545	2.111	20	30		HEEDRP
C#CC[NH+]1CCC(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CC1	ZINC000742394130	1076833688	/nfs/dbraw/zinc/83/36/88/1076833688.db2.gz	VQHCXPVHXNOLCB-UHFFFAOYSA-N	2	0	419.367	2.485	20	30		HEEDRP
C#CC[NH+]1CCC(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1	ZINC000741610704	1076565268	/nfs/dbraw/zinc/56/52/68/1076565268.db2.gz	VNAZBJRIPHTLHB-UHFFFAOYSA-N	2	0	422.495	2.419	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164896275	721509903	/nfs/dbraw/zinc/50/99/03/721509903.db2.gz	AJSBAUILTBVNBP-QUCCMNQESA-N	2	0	407.493	2.470	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C1)C[NH2+]CCC2	ZINC001164979321	722100283	/nfs/dbraw/zinc/10/02/83/722100283.db2.gz	IAGPTFDRYAUZOO-AUSIDOKSSA-N	2	0	418.545	2.111	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C1)C[NH2+]CCC2	ZINC001164979326	722100385	/nfs/dbraw/zinc/10/03/85/722100385.db2.gz	IAGPTFDRYAUZOO-WMZHIEFXSA-N	2	0	418.545	2.111	20	30		HEEDRP
CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(c3C#N)CCC[NH2+]C4)CC2)CC1	ZINC001164619263	719021634	/nfs/dbraw/zinc/02/16/34/719021634.db2.gz	VCPQIAFOTDGQET-UHFFFAOYSA-N	2	0	411.550	2.233	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164896274	721510232	/nfs/dbraw/zinc/51/02/32/721510232.db2.gz	AJSBAUILTBVNBP-ICSRJNTNSA-N	2	0	407.493	2.470	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C1)C[NH2+]CCC2	ZINC001164979328	722100153	/nfs/dbraw/zinc/10/01/53/722100153.db2.gz	IAGPTFDRYAUZOO-XXBNENTESA-N	2	0	418.545	2.111	20	30		HEEDRP
N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164896273	721510266	/nfs/dbraw/zinc/51/02/66/721510266.db2.gz	AJSBAUILTBVNBP-AZUAARDMSA-N	2	0	407.493	2.470	20	30		HEEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)c(OC)c2)CC1	ZINC000772230602	1079752188	/nfs/dbraw/zinc/75/21/88/1079752188.db2.gz	FEVZGNDEHLSWHR-UHFFFAOYSA-N	2	0	414.550	2.051	20	30		HEEDRP