smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNCc1cn(C[C@H]2O[C@@H](CC(=O)N3CCC[C@@H]3COC)[C@H](O)[C@@H]2O)nn1	ZINC000008643715	221049107	/nfs/dbraw/zinc/04/91/07/221049107.db2.gz	KSCPMIIGYRWNIG-SSOQLKFYSA-N	0	1	383.449	-1.486	40	0	biogenic,in-vitro	GAABMN
Nc1ncnc2c1n[nH]c2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O	ZINC000032138281	570510009	/nfs/dbraw/zinc/51/00/09/570510009.db2.gz	IRJBTFARPMCXJX-ZIPCMVOOSA-N	0	1	384.418	-1.368	40	0		GAABMN
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(I)c1F	ZINC000035322604	204168833	/nfs/dbraw/zinc/16/88/33/204168833.db2.gz	ATXHATZRJXXACM-UMMCILCDSA-N	0	1	388.089	-2.108	40	0		GAABMN
CS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O	ZINC000077264554	530182426	/nfs/dbraw/zinc/18/24/26/530182426.db2.gz	DOEFYKBDWYGMRN-MCIONIFRSA-N	0	1	378.472	-1.143	40	0	biogenic,in-vitro	GAABMN
CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccccc2C(N)=O)[nH]c1=O	ZINC000104611012	570303090	/nfs/dbraw/zinc/30/30/90/570303090.db2.gz	BAZMCDIQGXZOKY-UHFFFAOYSA-N	0	1	377.382	-1.026	40	0		GAABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)CNS(C)(=O)=O)CC2)CC1	ZINC000257259334	209061736	/nfs/dbraw/zinc/06/17/36/209061736.db2.gz	KXVVUHLZBWENBI-INIZCTEOSA-N	0	1	390.506	-1.557	40	0		GAABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)CNS(C)(=O)=O)CC2)CC1	ZINC000257259335	209062657	/nfs/dbraw/zinc/06/26/57/209062657.db2.gz	KXVVUHLZBWENBI-MRXNPFEDSA-N	0	1	390.506	-1.557	40	0		GAABMN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426370	530103270	/nfs/dbraw/zinc/10/32/70/530103270.db2.gz	SBRWRKKPWPUDHG-NEPJUHHUSA-N	0	1	392.455	-1.281	40	0		GAABMN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426371	530103262	/nfs/dbraw/zinc/10/32/62/530103262.db2.gz	SBRWRKKPWPUDHG-NWDGAFQWSA-N	0	1	392.455	-1.281	40	0		GAABMN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426372	530103337	/nfs/dbraw/zinc/10/33/37/530103337.db2.gz	SBRWRKKPWPUDHG-RYUDHWBXSA-N	0	1	392.455	-1.281	40	0		GAABMN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426373	530103379	/nfs/dbraw/zinc/10/33/79/530103379.db2.gz	SBRWRKKPWPUDHG-VXGBXAGGSA-N	0	1	392.455	-1.281	40	0		GAABMN
C[NH+](C)CCn1nnnc1SC[C@@H]1CS[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000584578788	530109300	/nfs/dbraw/zinc/10/93/00/530109300.db2.gz	ZPVMFSAZTVIFLR-FTYOSLGDSA-N	0	1	387.491	-1.361	40	0		GAABMN
C[NH+](C)CCn1nnnc1SC[C@@H]1CS[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000584578789	530109206	/nfs/dbraw/zinc/10/92/06/530109206.db2.gz	ZPVMFSAZTVIFLR-QCBRBAQYSA-N	0	1	387.491	-1.361	40	0		GAABMN
C[NH+](C)CCn1nnnc1SC[C@@H]1CS[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)[O-]	ZINC000584578790	530109324	/nfs/dbraw/zinc/10/93/24/530109324.db2.gz	ZPVMFSAZTVIFLR-WYOJIJJFSA-N	0	1	387.491	-1.361	40	0		GAABMN
C[NH+](C)CCn1nnnc1SC[C@@H]1CS[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)[O-]	ZINC000584578791	530109364	/nfs/dbraw/zinc/10/93/64/530109364.db2.gz	ZPVMFSAZTVIFLR-YSSBGUOXSA-N	0	1	387.491	-1.361	40	0		GAABMN