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]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC001589333920	953970623	/nfs/dbraw/zinc/97/06/23/953970623.db2.gz	GPACHMPPTCDENP-XXFSISAASA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C	ZINC001603353865	972783800	/nfs/dbraw/zinc/78/38/00/972783800.db2.gz	CQVLBWJJOXYQJX-ATZCPNFKSA-N	0	1	247.766	2.292	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC001594417552	999560353	/nfs/dbraw/zinc/56/03/53/999560353.db2.gz	WVKPBAREKCDMTE-QGKZMRNZSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC001589333919	953971110	/nfs/dbraw/zinc/97/11/10/953971110.db2.gz	GPACHMPPTCDENP-RCZSTQMZSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@H]1[C@H](C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)[C@H]1Cl	ZINC001589261404	957034394	/nfs/dbraw/zinc/03/43/94/957034394.db2.gz	AXDWHAPJVNERIB-GMOBBJLQSA-N	0	1	245.750	2.046	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC001589333917	953970974	/nfs/dbraw/zinc/97/09/74/953970974.db2.gz	GPACHMPPTCDENP-NZHYYXIDSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@H](CC(=O)[O-])C1	ZINC001589261407	957033556	/nfs/dbraw/zinc/03/35/56/957033556.db2.gz	AXDWHAPJVNERIB-XNDJQWLSSA-N	0	1	245.750	2.046	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC001594187707	998727243	/nfs/dbraw/zinc/72/72/43/998727243.db2.gz	JNBZTGJJMPWCTL-ZDCRXTMVSA-N	0	1	245.750	2.189	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1	ZINC001594188600	998732621	/nfs/dbraw/zinc/73/26/21/998732621.db2.gz	VOUFKIANAHPXRZ-WYFGTUCQSA-N	0	1	245.750	2.046	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC001589261413	957033862	/nfs/dbraw/zinc/03/38/62/957033862.db2.gz	BANMEFRMCRATRD-KJPMQGKISA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C	ZINC001603353874	972783236	/nfs/dbraw/zinc/78/32/36/972783236.db2.gz	CQVLBWJJOXYQJX-IQJOONFLSA-N	0	1	247.766	2.292	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1	ZINC001589261405	957033832	/nfs/dbraw/zinc/03/38/32/957033832.db2.gz	AXDWHAPJVNERIB-GUDRVLHUSA-N	0	1	245.750	2.046	20	50		BEGDMN
C[C@H]1[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)[C@H]1Cl	ZINC001603353877	972784212	/nfs/dbraw/zinc/78/42/12/972784212.db2.gz	CQVLBWJJOXYQJX-QXEWZRGKSA-N	0	1	247.766	2.292	20	50		BEGDMN
CSSCCNc1cc(C(=O)[O-])cc[nH+]1	ZINC000397876068	973030317	/nfs/dbraw/zinc/03/03/17/973030317.db2.gz	LTBOXBYCFIZXFG-UHFFFAOYSA-N	0	1	244.341	2.203	20	50		BEGDMN
C[C@H]1[C@H](C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)[C@H]1Cl	ZINC001594188599	998732629	/nfs/dbraw/zinc/73/26/29/998732629.db2.gz	VOUFKIANAHPXRZ-QFOLPQNPSA-N	0	1	245.750	2.046	20	50		BEGDMN
CCN(C)c1ccc(C(C)=[NH+]NC(=O)[O-])cc1	ZINC000826992673	603762952	/nfs/dbraw/zinc/76/29/52/603762952.db2.gz	RLXKNSGVMUCCJW-UHFFFAOYSA-N	0	1	235.287	2.134	20	50		BEGDMN
C[C@H]1[C@H](C[N@H+]2CCCCC[C@H]2C(=O)[O-])[C@H]1Cl	ZINC001594187705	998727101	/nfs/dbraw/zinc/72/71/01/998727101.db2.gz	JNBZTGJJMPWCTL-NAKRPEOUSA-N	0	1	245.750	2.189	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCCCC[C@H]1C(=O)[O-]	ZINC001594187706	998727269	/nfs/dbraw/zinc/72/72/69/998727269.db2.gz	JNBZTGJJMPWCTL-VLEAKVRGSA-N	0	1	245.750	2.189	20	50		BEGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC001594417553	999560599	/nfs/dbraw/zinc/56/05/99/999560599.db2.gz	WVKPBAREKCDMTE-RCZSTQMZSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC001589333918	953971784	/nfs/dbraw/zinc/97/17/84/953971784.db2.gz	GPACHMPPTCDENP-QGKZMRNZSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1	ZINC001594188598	998732808	/nfs/dbraw/zinc/73/28/08/998732808.db2.gz	VOUFKIANAHPXRZ-MIZYBKAJSA-N	0	1	245.750	2.046	20	50		BEGDMN
N#CC1=CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000821320368	955498998	/nfs/dbraw/zinc/49/89/98/955498998.db2.gz	MLCFBYJMOVGHLT-UHFFFAOYSA-N	0	1	242.278	2.040	20	50		BEGDMN
C[C@H]1[C@H](C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)[C@H]1Cl	ZINC001594188597	998732657	/nfs/dbraw/zinc/73/26/57/998732657.db2.gz	VOUFKIANAHPXRZ-GMOBBJLQSA-N	0	1	245.750	2.046	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC001589261414	957033884	/nfs/dbraw/zinc/03/38/84/957033884.db2.gz	BANMEFRMCRATRD-MFDAYCCISA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C	ZINC001603353875	972783859	/nfs/dbraw/zinc/78/38/59/972783859.db2.gz	CQVLBWJJOXYQJX-NGZCFLSTSA-N	0	1	247.766	2.292	20	50		BEGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC001594417551	999560577	/nfs/dbraw/zinc/56/05/77/999560577.db2.gz	WVKPBAREKCDMTE-NZHYYXIDSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC001589261412	957033539	/nfs/dbraw/zinc/03/35/39/957033539.db2.gz	BANMEFRMCRATRD-DAWVFNFOSA-N	0	1	245.750	2.045	20	50		BEGDMN
C[C@H]1[C@H](C[N@H+]2CCCCC[C@@H]2C(=O)[O-])[C@H]1Cl	ZINC001594187704	998727008	/nfs/dbraw/zinc/72/70/08/998727008.db2.gz	JNBZTGJJMPWCTL-MMWGEVLESA-N	0	1	245.750	2.189	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC001589261415	957033745	/nfs/dbraw/zinc/03/37/45/957033745.db2.gz	BANMEFRMCRATRD-QGKZMRNZSA-N	0	1	245.750	2.045	20	50		BEGDMN
CCC(=[NH+]NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828549239	602311802	/nfs/dbraw/zinc/31/18/02/602311802.db2.gz	KCPUOZSWYQUQOT-UHFFFAOYSA-N	0	1	235.287	2.134	20	50		BEGDMN
C[C@H]1[C@H](C[N@H+]2CCC[C@H](CC(=O)[O-])C2)[C@H]1Cl	ZINC001589261406	957034299	/nfs/dbraw/zinc/03/42/99/957034299.db2.gz	AXDWHAPJVNERIB-WYFGTUCQSA-N	0	1	245.750	2.046	20	50		BEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC001594417554	999560508	/nfs/dbraw/zinc/56/05/08/999560508.db2.gz	WVKPBAREKCDMTE-XXFSISAASA-N	0	1	245.750	2.045	20	50		BEGDMN