smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)cc1	ZINC000029749213	553851234	/nfs/dbraw/zinc/85/12/34/553851234.db2.gz	HZCRKXRLUBLGBW-UHFFFAOYSA-N	1	1	575.714	2.739	40	10		KFCBMO
COc1ccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccccc3)CC2)cc1	ZINC000097986861	554026306	/nfs/dbraw/zinc/02/63/06/554026306.db2.gz	PWNCRVPFJFMOPQ-UHFFFAOYSA-N	1	1	565.678	2.972	40	10		KFCBMO
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NCCC[NH+]3CCOCC3)C2=O)SC1=S)NCCCN1CCOCC1	ZINC000150406930	571480038	/nfs/dbraw/zinc/48/00/38/571480038.db2.gz	AWPLSSGFIUSHEJ-BYYHNAKLSA-N	1	1	743.056	2.716	40	10		KFCBMO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccccc1O)CC2=O)N1CC[C@@H](O)C1	ZINC000253400986	572285190	/nfs/dbraw/zinc/28/51/90/572285190.db2.gz	MFVYSTDNWLVUDU-RJLMYAFLSA-N	1	1	519.642	2.791	40	10		KFCBMO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccccc1O)CC2=O)N1CC[C@@H](O)C1	ZINC000253400986	572285189	/nfs/dbraw/zinc/28/51/89/572285189.db2.gz	MFVYSTDNWLVUDU-RJLMYAFLSA-N	1	1	519.642	2.791	40	10		KFCBMO
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000409092603	1059003060	/nfs/dbraw/zinc/00/30/60/1059003060.db2.gz	XGYAWNRJDAIYNT-HDFSHUSISA-N	1	1	634.759	2.781	40	10		KFCBMO
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000409092606	1059003365	/nfs/dbraw/zinc/00/33/65/1059003365.db2.gz	XGYAWNRJDAIYNT-LAUBZIAYSA-N	1	1	634.759	2.781	40	10		KFCBMO
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000409099243	1059676551	/nfs/dbraw/zinc/67/65/51/1059676551.db2.gz	KIHHWWBHIHXKPS-QYTZQGLJSA-N	1	1	604.733	2.772	40	10		KFCBMO
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000409099244	1059677433	/nfs/dbraw/zinc/67/74/33/1059677433.db2.gz	KIHHWWBHIHXKPS-RBRLEXCSSA-N	1	1	604.733	2.772	40	10		KFCBMO
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)[N@@H+](Cc1ccccc1O)C2	ZINC000514287453	1059543779	/nfs/dbraw/zinc/54/37/79/1059543779.db2.gz	CXBXCXAOJBUVCL-PKLCKOPZSA-N	1	1	572.662	2.634	40	10		KFCBMO
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)[N@H+](Cc1ccccc1O)C2	ZINC000514287453	1059543765	/nfs/dbraw/zinc/54/37/65/1059543765.db2.gz	CXBXCXAOJBUVCL-PKLCKOPZSA-N	1	1	572.662	2.634	40	10		KFCBMO
COc1ccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCC(C)C)CC2)cc1	ZINC000585148594	1059050238	/nfs/dbraw/zinc/05/02/38/1059050238.db2.gz	QJNMYIUBIOAAOT-UHFFFAOYSA-N	1	1	545.688	2.970	40	10		KFCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@@](O)(COc4ccc(C)c(C)c4)C3)CC2)cc1	ZINC000585282465	1059069197	/nfs/dbraw/zinc/06/91/97/1059069197.db2.gz	KQXRYGTYTDGDQQ-GDLZYMKVSA-N	1	1	511.663	2.618	40	10		KFCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@](O)(COc4ccc(C)c(C)c4)C3)CC2)cc1	ZINC000585282467	1059068774	/nfs/dbraw/zinc/06/87/74/1059068774.db2.gz	KQXRYGTYTDGDQQ-LJAQVGFWSA-N	1	1	511.663	2.618	40	10		KFCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@@](O)(COc4cc(C)cc(C)c4)C3)CC2)cc1	ZINC000585287358	1059070978	/nfs/dbraw/zinc/07/09/78/1059070978.db2.gz	NHBVRLLHGSFIMT-GDLZYMKVSA-N	1	1	511.663	2.618	40	10		KFCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@](O)(COc4cc(C)cc(C)c4)C3)CC2)cc1	ZINC000585287360	1059071785	/nfs/dbraw/zinc/07/17/85/1059071785.db2.gz	NHBVRLLHGSFIMT-LJAQVGFWSA-N	1	1	511.663	2.618	40	10		KFCBMO
Cc1c(C(=O)N2CCOCC2)sc2[nH]cnc(=NC3CCN(Cc4ccc(O)c(C[NH+](C)C)c4)CC3)c12	ZINC000585293473	1059074486	/nfs/dbraw/zinc/07/44/86/1059074486.db2.gz	XWGYJZSAIKPSTG-UHFFFAOYSA-N	1	1	524.691	2.738	40	10		KFCBMO
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@@H+](Cc1ccccc1O)CC2=O)N1CC[C@@H](O)C1	ZINC000958317776	1059749478	/nfs/dbraw/zinc/74/94/78/1059749478.db2.gz	MFVYSTDNWLVUDU-JCYRPKCISA-N	1	1	519.642	2.791	40	10		KFCBMO
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@H+](Cc1ccccc1O)CC2=O)N1CC[C@@H](O)C1	ZINC000958317776	1059749458	/nfs/dbraw/zinc/74/94/58/1059749458.db2.gz	MFVYSTDNWLVUDU-JCYRPKCISA-N	1	1	519.642	2.791	40	10		KFCBMO