smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1=C(C(=O)OC)C1(C(=O)OC)C1=C(C(=O)OC)C2(C(=O)OC)OC1(OC)C(C(=O)OC)=C2C(=O)OC	ZINC000005813205	552510088	/nfs/dbraw/zinc/51/00/88/552510088.db2.gz	WRQGNQGZJAHJOH-BJKOFHAPSA-N	0	2	568.440	-1.788	40	0		KAABLN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-]	ZINC000017655297	553599368	/nfs/dbraw/zinc/59/93/68/553599368.db2.gz	VWJLJHZPMZGDDV-HOCDWTQPSA-N	0	2	565.628	-1.260	40	0		KAABLN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-]	ZINC000017655297	553599367	/nfs/dbraw/zinc/59/93/67/553599367.db2.gz	VWJLJHZPMZGDDV-HOCDWTQPSA-N	0	2	565.628	-1.260	40	0		KAABLN
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000072104512	553640340	/nfs/dbraw/zinc/64/03/40/553640340.db2.gz	VVBDLEHCIKUJSA-XLIKFSOKSA-N	0	2	702.725	-1.081	40	0		KAABLN
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000072104512	553640339	/nfs/dbraw/zinc/64/03/39/553640339.db2.gz	VVBDLEHCIKUJSA-XLIKFSOKSA-N	0	2	702.725	-1.081	40	0		KAABLN
CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CNC(=O)CNC(=O)Cn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O	ZINC000082185421	553675014	/nfs/dbraw/zinc/67/50/14/553675014.db2.gz	ZDYVIFJKDRDTLO-UHFFFAOYSA-N	0	2	720.653	-4.764	40	0		KAABLN
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000095680138	553707438	/nfs/dbraw/zinc/70/74/38/553707438.db2.gz	AFEHBIGDWIGTEH-LWOUEDSTSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000095680138	553707436	/nfs/dbraw/zinc/70/74/36/553707436.db2.gz	AFEHBIGDWIGTEH-LWOUEDSTSA-N	0	2	813.935	-1.223	40	0		KAABLN
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccsc2)C3)[C@H](O)[C@@H]1O	ZINC000097976363	553969064	/nfs/dbraw/zinc/96/90/64/553969064.db2.gz	NBGABBXYRQMHOW-WREBCAICSA-N	0	2	535.623	-2.124	40	0		KAABLN
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc(C(F)(F)F)cc2)C3)[C@H](O)[C@@H]1O	ZINC000097976370	553969170	/nfs/dbraw/zinc/96/91/70/553969170.db2.gz	DTWHVMGUSIRRQJ-KDTKDTIDSA-N	0	2	597.591	-1.167	40	0		KAABLN
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C3)[C@H](O)[C@@H]1O	ZINC000097976371	553969099	/nfs/dbraw/zinc/96/90/99/553969099.db2.gz	HUKSARXXESBPBF-WXBVCODHSA-N	0	2	613.590	-1.287	40	0		KAABLN
CS(=O)(=O)N1CC2OC(CC(=O)NC3CC(C(=O)N4CCOC(C1)C4)N(Cc1cccc(Cl)c1)C3)C(O)C2O	ZINC000097976566	553971425	/nfs/dbraw/zinc/97/14/25/553971425.db2.gz	OQWYIQRSSGHSHU-KDTKDTIDSA-N	0	2	587.095	-1.219	40	0		KAABLN
CS(=O)(=O)N1CC2OC(CC(=O)NC3CC(C(=O)N4CCOC(C1)C4)N(Cc1ccc(F)cc1)C3)C(O)C2O	ZINC000097976567	553971529	/nfs/dbraw/zinc/97/15/29/553971529.db2.gz	YPZMOCLLJOAVBG-KDTKDTIDSA-N	0	2	570.640	-1.733	40	0		KAABLN
O=C([O-])CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000150350663	571461949	/nfs/dbraw/zinc/46/19/49/571461949.db2.gz	HBRSBSZURRWMML-ZIUUJSQJSA-N	0	2	759.777	-1.965	40	0		KAABLN
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651708	571525547	/nfs/dbraw/zinc/52/55/47/571525547.db2.gz	AFEHBIGDWIGTEH-FVRLLRBRSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651708	571525545	/nfs/dbraw/zinc/52/55/45/571525545.db2.gz	AFEHBIGDWIGTEH-FVRLLRBRSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651709	571525634	/nfs/dbraw/zinc/52/56/34/571525634.db2.gz	AFEHBIGDWIGTEH-OROIKLIRSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651709	571525633	/nfs/dbraw/zinc/52/56/33/571525633.db2.gz	AFEHBIGDWIGTEH-OROIKLIRSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651711	571525626	/nfs/dbraw/zinc/52/56/26/571525626.db2.gz	AFEHBIGDWIGTEH-IIEOXXIKSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651711	571525625	/nfs/dbraw/zinc/52/56/25/571525625.db2.gz	AFEHBIGDWIGTEH-IIEOXXIKSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651713	571525588	/nfs/dbraw/zinc/52/55/88/571525588.db2.gz	AFEHBIGDWIGTEH-SDPIAUFMSA-N	0	2	813.935	-1.223	40	0		KAABLN
CSCC[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000150651713	571525586	/nfs/dbraw/zinc/52/55/86/571525586.db2.gz	AFEHBIGDWIGTEH-SDPIAUFMSA-N	0	2	813.935	-1.223	40	0		KAABLN
CC(=O)OC[C@H]1O[C@@H](n2cc(CSc3nn([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)c(=O)[nH]c3=O)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000195815808	1066203222	/nfs/dbraw/zinc/20/32/22/1066203222.db2.gz	ZHVZJWXPTBQEIS-JGEADQBPSA-N	0	2	785.694	-2.278	40	0		KAABLN
O=C1C[C@@H]2O[C@H](C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[NH2+]3)N1)[C@@H](O)[C@H]2O	ZINC000225443817	571814860	/nfs/dbraw/zinc/81/48/60/571814860.db2.gz	PFUYKBKZJNLOQW-SYDHNELDSA-N	0	2	510.538	-1.266	40	0		KAABLN
CC(=O)OC[C@H]1O[C@@H](n2cc(CSc3nn([C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(=O)[nH]c3=O)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253506939	572297616	/nfs/dbraw/zinc/29/76/16/572297616.db2.gz	ZHVZJWXPTBQEIS-JEFOESKRSA-N	0	2	785.694	-1.454	40	0		KAABLN
CC(=O)OC[C@H]1O[C@@H](n2cc(CSc3nn([C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=O)[nH]c3=O)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253506940	572297653	/nfs/dbraw/zinc/29/76/53/572297653.db2.gz	ZHVZJWXPTBQEIS-PZMHLZSWSA-N	0	2	785.694	-1.454	40	0		KAABLN
CC(=O)OC[C@H]1O[C@@H](n2cc(CSc3nn([C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c(=O)[nH]c3=O)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253506943	572297642	/nfs/dbraw/zinc/29/76/42/572297642.db2.gz	ZHVZJWXPTBQEIS-UOFJUDCISA-N	0	2	785.694	-1.454	40	0		KAABLN