smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(OC)ccc2O)nc[nH+]1	ZINC000185992531	509467530	/nfs/dbraw/zinc/46/75/30/509467530.db2.gz	VPQQJUUPZRBHPJ-ZIAGYGMSSA-N	2	2	357.458	2.552	10	10		FFCELP
CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2O)nc[nH+]1	ZINC000185992511	509467301	/nfs/dbraw/zinc/46/73/01/509467301.db2.gz	VPQQJUUPZRBHPJ-UONOGXRCSA-N	2	2	357.458	2.552	10	10		FFCELP
CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(OC)ccc2O)nc[nH+]1	ZINC000185992490	509468322	/nfs/dbraw/zinc/46/83/22/509468322.db2.gz	VPQQJUUPZRBHPJ-KGLIPLIRSA-N	2	2	357.458	2.552	10	10		FFCELP
CCOc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000121232153	509153644	/nfs/dbraw/zinc/15/36/44/509153644.db2.gz	IKHYLOUETCHBPI-UHFFFAOYSA-N	2	2	358.486	2.584	10	10		FFCELP
CCOc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000121232153	509153650	/nfs/dbraw/zinc/15/36/50/509153650.db2.gz	IKHYLOUETCHBPI-UHFFFAOYSA-N	2	2	358.486	2.584	10	10		FFCELP
c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]c1	ZINC000092812616	508102383	/nfs/dbraw/zinc/10/23/83/508102383.db2.gz	QMMMENOJEDCDRS-IBGZPJMESA-N	2	2	352.482	2.852	10	10		FFCELP
c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]c1	ZINC000092812616	508102384	/nfs/dbraw/zinc/10/23/84/508102384.db2.gz	QMMMENOJEDCDRS-IBGZPJMESA-N	2	2	352.482	2.852	10	10		FFCELP
CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2O)nc[nH+]1	ZINC000185992468	509467990	/nfs/dbraw/zinc/46/79/90/509467990.db2.gz	VPQQJUUPZRBHPJ-KBPBESRZSA-N	2	2	357.458	2.552	10	10		FFCELP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Br)c2O)CC1	ZINC000121126503	728621104	/nfs/dbraw/zinc/62/11/04/728621104.db2.gz	ZIWKQRZXNKHTQX-CYBMUJFWSA-N	2	2	371.319	2.679	10	10		FFCELP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Br)c2O)CC1	ZINC000121126503	728621105	/nfs/dbraw/zinc/62/11/05/728621105.db2.gz	ZIWKQRZXNKHTQX-CYBMUJFWSA-N	2	2	371.319	2.679	10	10		FFCELP
CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000175648510	510712913	/nfs/dbraw/zinc/71/29/13/510712913.db2.gz	BQUOHRTVWWILQJ-UHFFFAOYSA-N	2	2	374.460	2.527	10	10		FFCELP
CC(=O)c1cc(F)cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000175648510	510712916	/nfs/dbraw/zinc/71/29/16/510712916.db2.gz	BQUOHRTVWWILQJ-UHFFFAOYSA-N	2	2	374.460	2.527	10	10		FFCELP
CCOc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000121209292	509150393	/nfs/dbraw/zinc/15/03/93/509150393.db2.gz	VXAMCNLCISJOFH-UHFFFAOYSA-N	2	2	358.486	2.584	10	10		FFCELP
CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000121209292	509150395	/nfs/dbraw/zinc/15/03/95/509150395.db2.gz	VXAMCNLCISJOFH-UHFFFAOYSA-N	2	2	358.486	2.584	10	10		FFCELP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Br)c2O)CC1	ZINC000121126329	728621124	/nfs/dbraw/zinc/62/11/24/728621124.db2.gz	ZIWKQRZXNKHTQX-ZDUSSCGKSA-N	2	2	371.319	2.679	10	10		FFCELP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Br)c2O)CC1	ZINC000121126329	728621126	/nfs/dbraw/zinc/62/11/26/728621126.db2.gz	ZIWKQRZXNKHTQX-ZDUSSCGKSA-N	2	2	371.319	2.679	10	10		FFCELP
C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CC[NH+](CCn2cccn2)CC1	ZINC000191338380	510611546	/nfs/dbraw/zinc/61/15/46/510611546.db2.gz	DJCHFRYHDZINGH-UHFFFAOYSA-N	2	2	366.868	2.978	10	10		FFCELP
C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CC[NH+](CCn2cccn2)CC1	ZINC000191338380	510611553	/nfs/dbraw/zinc/61/15/53/510611553.db2.gz	DJCHFRYHDZINGH-UHFFFAOYSA-N	2	2	366.868	2.978	10	10		FFCELP
COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487831	510161669	/nfs/dbraw/zinc/16/16/69/510161669.db2.gz	IDPJARFSNKDDSO-KRWDZBQOSA-N	2	2	371.481	2.758	10	10		FFCELP
COc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487831	510161673	/nfs/dbraw/zinc/16/16/73/510161673.db2.gz	IDPJARFSNKDDSO-KRWDZBQOSA-N	2	2	371.481	2.758	10	10		FFCELP
COc1cc(O)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487831	510161676	/nfs/dbraw/zinc/16/16/76/510161676.db2.gz	IDPJARFSNKDDSO-KRWDZBQOSA-N	2	2	371.481	2.758	10	10		FFCELP
COc1cc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487831	510161679	/nfs/dbraw/zinc/16/16/79/510161679.db2.gz	IDPJARFSNKDDSO-KRWDZBQOSA-N	2	2	371.481	2.758	10	10		FFCELP
c1ccc(NC[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]c1	ZINC000092812617	508102148	/nfs/dbraw/zinc/10/21/48/508102148.db2.gz	QMMMENOJEDCDRS-LJQANCHMSA-N	2	2	352.482	2.852	10	10		FFCELP
c1ccc(NC[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH+]c1	ZINC000092812617	508102152	/nfs/dbraw/zinc/10/21/52/508102152.db2.gz	QMMMENOJEDCDRS-LJQANCHMSA-N	2	2	352.482	2.852	10	10		FFCELP
Oc1cc2c(cc1C[NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)OCO2	ZINC000192354707	509478379	/nfs/dbraw/zinc/47/83/79/509478379.db2.gz	GFHTZMPNDFNYKB-SFHVURJKSA-N	2	2	370.449	2.502	10	10		FFCELP
Oc1cc2c(cc1C[NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)OCO2	ZINC000192354707	509478384	/nfs/dbraw/zinc/47/83/84/509478384.db2.gz	GFHTZMPNDFNYKB-SFHVURJKSA-N	2	2	370.449	2.502	10	10		FFCELP
CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(F)ccc1O)[NH2+][C@]2(CO)c1ccccc1	ZINC000065527664	221231686	/nfs/dbraw/zinc/23/16/86/221231686.db2.gz	NJSIIIFDLWEPBO-KOUHRCEDSA-N	2	2	356.441	2.631	10	10		FFCELP
CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(F)ccc1O)[NH2+][C@]2(CO)c1ccccc1	ZINC000065527664	221231690	/nfs/dbraw/zinc/23/16/90/221231690.db2.gz	NJSIIIFDLWEPBO-KOUHRCEDSA-N	2	2	356.441	2.631	10	10		FFCELP
Oc1cc2c(cc1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)OCO2	ZINC000192354701	509477142	/nfs/dbraw/zinc/47/71/42/509477142.db2.gz	GFHTZMPNDFNYKB-GOSISDBHSA-N	2	2	370.449	2.502	10	10		FFCELP
Oc1cc2c(cc1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)OCO2	ZINC000192354701	509477146	/nfs/dbraw/zinc/47/71/46/509477146.db2.gz	GFHTZMPNDFNYKB-GOSISDBHSA-N	2	2	370.449	2.502	10	10		FFCELP
COc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487856	510160968	/nfs/dbraw/zinc/16/09/68/510160968.db2.gz	IDPJARFSNKDDSO-QGZVFWFLSA-N	2	2	371.481	2.758	10	10		FFCELP
COc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487856	510160976	/nfs/dbraw/zinc/16/09/76/510160976.db2.gz	IDPJARFSNKDDSO-QGZVFWFLSA-N	2	2	371.481	2.758	10	10		FFCELP
COc1cc(O)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487856	510160983	/nfs/dbraw/zinc/16/09/83/510160983.db2.gz	IDPJARFSNKDDSO-QGZVFWFLSA-N	2	2	371.481	2.758	10	10		FFCELP
COc1cc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1OC	ZINC000190487856	510160993	/nfs/dbraw/zinc/16/09/93/510160993.db2.gz	IDPJARFSNKDDSO-QGZVFWFLSA-N	2	2	371.481	2.758	10	10		FFCELP