smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+](Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043062164	518776540	/nfs/dbraw/zinc/77/65/40/518776540.db2.gz	JBOSAXVFTHRCCQ-OAQYLSRUSA-N	1	1	463.326	3.895	10	30		JHEEMO
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102735205	130279754	/nfs/dbraw/zinc/27/97/54/130279754.db2.gz	WMKDJZSQJZQRCZ-ORDRXGECSA-N	1	1	491.632	3.924	10	30		JHEEMO
C=CC[N+]1([C@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)CCCC1	ZINC000306146466	717182003	/nfs/dbraw/zinc/18/20/03/717182003.db2.gz	IHSGDUHUXOPCHC-POOQAUKDSA-N	1	1	487.749	3.837	10	30		JHEEMO
Cc1ncc2c(c1CNC(=O)Cc1cccs1)CC[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C2	ZINC000014885648	527316196	/nfs/dbraw/zinc/31/61/96/527316196.db2.gz	XUDOHKBQQGFEMY-UHFFFAOYSA-N	1	1	473.642	3.991	10	30		JHEEMO
Cc1ncc2c(c1CNC(=O)Cc1cccs1)CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C2	ZINC000014885648	527316201	/nfs/dbraw/zinc/31/62/01/527316201.db2.gz	XUDOHKBQQGFEMY-UHFFFAOYSA-N	1	1	473.642	3.991	10	30		JHEEMO
C=CC[N@H+](Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043119678	518785629	/nfs/dbraw/zinc/78/56/29/518785629.db2.gz	AWICBISOCKDYTM-NRFANRHFSA-N	1	1	463.326	3.895	10	30		JHEEMO
C=CC[N@@H+](Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043119678	518785634	/nfs/dbraw/zinc/78/56/34/518785634.db2.gz	AWICBISOCKDYTM-NRFANRHFSA-N	1	1	463.326	3.895	10	30		JHEEMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1	ZINC000245280762	570061799	/nfs/dbraw/zinc/06/17/99/570061799.db2.gz	SGWULWHXUBOMQZ-ILBGXUMGSA-N	1	1	475.589	3.871	10	30		JHEEMO
C=CC[N@H+](Cc1ccccc1Br)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043119673	518786460	/nfs/dbraw/zinc/78/64/60/518786460.db2.gz	AWICBISOCKDYTM-OAQYLSRUSA-N	1	1	463.326	3.895	10	30		JHEEMO
C=CC[N@@H+](Cc1ccccc1Br)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043119673	518786467	/nfs/dbraw/zinc/78/64/67/518786467.db2.gz	AWICBISOCKDYTM-OAQYLSRUSA-N	1	1	463.326	3.895	10	30		JHEEMO
C=CC[N+]1([C@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000306146468	717181886	/nfs/dbraw/zinc/18/18/86/717181886.db2.gz	IHSGDUHUXOPCHC-UQTPHKOXSA-N	1	1	487.749	3.837	10	30		JHEEMO
C=CC[N@@H+](Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043062167	518776613	/nfs/dbraw/zinc/77/66/13/518776613.db2.gz	JBOSAXVFTHRCCQ-NRFANRHFSA-N	1	1	463.326	3.895	10	30		JHEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1	ZINC000036308323	518301038	/nfs/dbraw/zinc/30/10/38/518301038.db2.gz	SGWULWHXUBOMQZ-UKILVPOCSA-N	1	1	475.589	3.871	10	30		JHEEMO
C=CC[N+]1([C@@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)CCCC1	ZINC000306146467	717181838	/nfs/dbraw/zinc/18/18/38/717181838.db2.gz	IHSGDUHUXOPCHC-QAACTNDDSA-N	1	1	487.749	3.837	10	30		JHEEMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1	ZINC000105003018	569849244	/nfs/dbraw/zinc/84/92/44/569849244.db2.gz	SGWULWHXUBOMQZ-NOZRDPDXSA-N	1	1	475.589	3.871	10	30		JHEEMO
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102735209	130279820	/nfs/dbraw/zinc/27/98/20/130279820.db2.gz	WMKDJZSQJZQRCZ-PIJNJCDPSA-N	1	1	491.632	3.924	10	30		JHEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1	ZINC000036308320	518300351	/nfs/dbraw/zinc/30/03/51/518300351.db2.gz	SGWULWHXUBOMQZ-ZCYQVOJMSA-N	1	1	475.589	3.871	10	30		JHEEMO
C=CC[N+]1([C@@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000306146465	717181905	/nfs/dbraw/zinc/18/19/05/717181905.db2.gz	IHSGDUHUXOPCHC-FHLVZNOWSA-N	1	1	487.749	3.837	10	30		JHEEMO
CC[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1ccc(C#CC(C)(C)O)o1)CCO2	ZINC000012132573	521423137	/nfs/dbraw/zinc/42/31/37/521423137.db2.gz	YVMSBWRPZJLYBH-UHFFFAOYSA-N	1	1	473.573	3.854	10	30		JHEEMO