smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H](NCC[NH2+][C@@H](c2ccc(OC)c(OC)c2)c2cc3c(cc2O)OCO3)c2cc3c(cc2O)OCO3)cc1OC	ZINC000022859765	553762207	/nfs/dbraw/zinc/76/22/07/553762207.db2.gz	URYLRAKDSCHUMZ-AQOUDTPCSA-N	1	1	632.666	4.648	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	ZINC000223144155	571435913	/nfs/dbraw/zinc/43/59/13/571435913.db2.gz	QCMJXVBVLQSXDG-FQLXRVMXSA-N	1	1	532.758	4.640	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	ZINC000223144215	571435959	/nfs/dbraw/zinc/43/59/59/571435959.db2.gz	QCMJXVBVLQSXDG-WDYNHAJCSA-N	1	1	532.758	4.640	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	ZINC000223144266	571435931	/nfs/dbraw/zinc/43/59/31/571435931.db2.gz	QCMJXVBVLQSXDG-URLMMPGGSA-N	1	1	532.758	4.640	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	ZINC000223144337	571435866	/nfs/dbraw/zinc/43/58/66/571435866.db2.gz	QCMJXVBVLQSXDG-VMPREFPWSA-N	1	1	532.758	4.640	40	10		KJCBMO
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C	ZINC000223655784	571521499	/nfs/dbraw/zinc/52/14/99/571521499.db2.gz	BEPDHZYBPNBQOT-SVBPBHIXSA-N	1	1	505.688	4.871	40	10		KJCBMO
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C	ZINC000223655831	571521441	/nfs/dbraw/zinc/52/14/41/571521441.db2.gz	BEPDHZYBPNBQOT-SXOMAYOGSA-N	1	1	505.688	4.871	40	10		KJCBMO
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C	ZINC000223655886	571521430	/nfs/dbraw/zinc/52/14/30/571521430.db2.gz	BEPDHZYBPNBQOT-RRPNLBNLSA-N	1	1	505.688	4.871	40	10		KJCBMO
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C	ZINC000223655940	571521459	/nfs/dbraw/zinc/52/14/59/571521459.db2.gz	BEPDHZYBPNBQOT-KAYWLYCHSA-N	1	1	505.688	4.871	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1	ZINC000223691522	571527942	/nfs/dbraw/zinc/52/79/42/571527942.db2.gz	RJORAICUKWKHAE-KAYWLYCHSA-N	1	1	505.688	4.871	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1	ZINC000223691565	571527929	/nfs/dbraw/zinc/52/79/29/571527929.db2.gz	RJORAICUKWKHAE-SXOMAYOGSA-N	1	1	505.688	4.871	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1	ZINC000223691603	571527891	/nfs/dbraw/zinc/52/78/91/571527891.db2.gz	RJORAICUKWKHAE-RRPNLBNLSA-N	1	1	505.688	4.871	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1	ZINC000223691652	571527881	/nfs/dbraw/zinc/52/78/81/571527881.db2.gz	RJORAICUKWKHAE-SVBPBHIXSA-N	1	1	505.688	4.871	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=O)N(c4ccccc4)C3=O)c2C)cc1	ZINC000409015531	1066769949	/nfs/dbraw/zinc/76/99/49/1066769949.db2.gz	SKCURXZBAWVLPL-OOAXWGSJSA-N	1	1	514.626	4.966	40	10		KJCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1	ZINC000409212696	1066965798	/nfs/dbraw/zinc/96/57/98/1066965798.db2.gz	PNNMVBIEYBUFMM-PCLIKHOPSA-N	1	1	503.578	4.611	40	10		KJCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	ZINC000585282632	1066388871	/nfs/dbraw/zinc/38/88/71/1066388871.db2.gz	LXDYRYORKDQBHQ-AREMUKBSSA-N	1	1	509.474	4.629	40	10		KJCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	ZINC000585282634	1066388690	/nfs/dbraw/zinc/38/86/90/1066388690.db2.gz	LXDYRYORKDQBHQ-SANMLTNESA-N	1	1	509.474	4.629	40	10		KJCBMO
CC1(C)COCCC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O	ZINC001534612129	1067200412	/nfs/dbraw/zinc/20/04/12/1067200412.db2.gz	HHAKTVQDZURBRI-DPZBCOQUSA-N	1	1	552.703	4.778	40	10		KJCBMO