smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3c[nH]c(=O)[nH]c3=O)C4=O)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000003099962	552287978	/nfs/dbraw/zinc/28/79/78/552287978.db2.gz	DQMGSWOJTDSCFU-UHFFFAOYSA-N	-1	3	576.459	-1.126	50	0		KAAAHM
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)C(N)=O	ZINC000095543647	553703047	/nfs/dbraw/zinc/70/30/47/553703047.db2.gz	CKNPSJOMUQBPLA-WTWMNNMUSA-N	-1	3	780.946	-2.106	50	0	in-vitro	KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[n-]c3c2c(=O)[nH]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000197980822	571566259	/nfs/dbraw/zinc/56/62/59/571566259.db2.gz	KXOJYBCJOSRIIP-IKQYDMQMSA-N	-1	3	684.564	-2.173	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c2c(=O)[n-]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000197980822	571566258	/nfs/dbraw/zinc/56/62/58/571566258.db2.gz	KXOJYBCJOSRIIP-IKQYDMQMSA-N	-1	3	684.564	-2.173	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[n-]c3c2c(=O)[nH]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253529579	572297995	/nfs/dbraw/zinc/29/79/95/572297995.db2.gz	KXOJYBCJOSRIIP-HNNGEFFZSA-N	-1	3	684.564	-1.760	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c2c(=O)[n-]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253529579	572297994	/nfs/dbraw/zinc/29/79/94/572297994.db2.gz	KXOJYBCJOSRIIP-HNNGEFFZSA-N	-1	3	684.564	-1.760	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[n-]c3c2c(=O)[nH]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253529580	572297999	/nfs/dbraw/zinc/29/79/99/572297999.db2.gz	KXOJYBCJOSRIIP-LYRCYSCOSA-N	-1	3	684.564	-1.760	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c2c(=O)[n-]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253529580	572297998	/nfs/dbraw/zinc/29/79/98/572297998.db2.gz	KXOJYBCJOSRIIP-LYRCYSCOSA-N	-1	3	684.564	-1.760	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[n-]c3c2c(=O)[nH]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253529581	572298002	/nfs/dbraw/zinc/29/80/02/572298002.db2.gz	KXOJYBCJOSRIIP-NCUDXUSDSA-N	-1	3	684.564	-1.760	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c2c(=O)[n-]c(=O)n3[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253529581	572298001	/nfs/dbraw/zinc/29/80/01/572298001.db2.gz	KXOJYBCJOSRIIP-NCUDXUSDSA-N	-1	3	684.564	-1.760	50	0		KAAAHM
CC(C)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000255961916	572304260	/nfs/dbraw/zinc/30/42/60/572304260.db2.gz	AFAFFVKJJYBBTC-HZMTTXTESA-N	-1	3	616.673	-4.001	50	0		KAAAHM
CC(C)[C@@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000255961917	572304263	/nfs/dbraw/zinc/30/42/63/572304263.db2.gz	AFAFFVKJJYBBTC-KPARLWCHSA-N	-1	3	616.673	-4.001	50	0		KAAAHM
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000255961918	572304268	/nfs/dbraw/zinc/30/42/68/572304268.db2.gz	AFAFFVKJJYBBTC-MRNSRZSKSA-N	-1	3	616.673	-4.001	50	0		KAAAHM
CC(C)[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000255961919	572304239	/nfs/dbraw/zinc/30/42/39/572304239.db2.gz	AFAFFVKJJYBBTC-OYFMXXACSA-N	-1	3	616.673	-4.001	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[n-]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c3c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157897	572152564	/nfs/dbraw/zinc/15/25/64/572152564.db2.gz	KXOJYBCJOSRIIP-GCVOWIRXSA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[nH]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c3c(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157897	572152562	/nfs/dbraw/zinc/15/25/62/572152562.db2.gz	KXOJYBCJOSRIIP-GCVOWIRXSA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[n-]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c3c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157898	572152542	/nfs/dbraw/zinc/15/25/42/572152542.db2.gz	KXOJYBCJOSRIIP-QUVKOCRXSA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[nH]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c3c(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157898	572152538	/nfs/dbraw/zinc/15/25/38/572152538.db2.gz	KXOJYBCJOSRIIP-QUVKOCRXSA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[n-]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c3c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157899	572152641	/nfs/dbraw/zinc/15/26/41/572152641.db2.gz	KXOJYBCJOSRIIP-SMCCEYOLSA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[nH]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c3c(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157899	572152639	/nfs/dbraw/zinc/15/26/39/572152639.db2.gz	KXOJYBCJOSRIIP-SMCCEYOLSA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[n-]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)c3c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157900	572152599	/nfs/dbraw/zinc/15/25/99/572152599.db2.gz	KXOJYBCJOSRIIP-YNKBCYEESA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(=O)OC[C@H]1O[C@@H](n2c3[nH]c(=O)n([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)c3c(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334157900	572152595	/nfs/dbraw/zinc/15/25/95/572152595.db2.gz	KXOJYBCJOSRIIP-YNKBCYEESA-N	-1	3	684.564	-1.348	50	0		KAAAHM
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O	ZINC000952856853	1066214605	/nfs/dbraw/zinc/21/46/05/1066214605.db2.gz	HPCIJWAIAHWWCF-FOTAHMFVSA-N	-1	3	750.858	-1.569	50	0		KAAAHM
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](NC(=O)c3cn[n-]n3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O	ZINC000952856859	1066214570	/nfs/dbraw/zinc/21/45/70/1066214570.db2.gz	HPCIJWAIAHWWCF-SIWMIJKGSA-N	-1	3	750.858	-1.569	50	0		KAAAHM