smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ncn(CCC[NH+]3CCN(c4nccnc4Cl)CC3)c2c(=O)n(C)c1=O	ZINC000000576312	132228688	/nfs/dbraw/zinc/22/86/88/132228688.db2.gz	GYMCOKPXRPMEDY-UHFFFAOYSA-N	1	1	418.889	0.089	1	0		HCAFMO
Cc1cc(S(=O)(=O)C2CC2)c(N)c(=O)n1CC(=O)NCc1ccc(N)[nH+]c1C	ZINC000013489222	581093989	/nfs/dbraw/zinc/09/39/89/581093989.db2.gz	YKBVOAICLHQJBM-UHFFFAOYSA-N	1	1	405.480	0.277	1	0		HCAFMO
Cc1cc(S(=O)(=O)CC2CC2)c(N)c(=O)n1CC(=O)NCc1ccc(N)[nH+]c1C	ZINC000013489223	581093903	/nfs/dbraw/zinc/09/39/03/581093903.db2.gz	DFVYWLUYNUVCNI-UHFFFAOYSA-N	1	1	419.507	0.525	1	0		HCAFMO
Nc1nc(N2CC[N@H+]3C[C@@H](Cn4cncn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585862	581095882	/nfs/dbraw/zinc/09/58/82/581095882.db2.gz	WYUVXSPWYZTIEW-KBPBESRZSA-N	1	1	421.469	0.554	1	0		HCAFMO
CS(=O)(=O)NCCN([C@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O	ZINC000014953689	560227936	/nfs/dbraw/zinc/22/79/36/560227936.db2.gz	VSQCTWPNMPWYSD-RDJZCZTQSA-N	1	1	401.554	0.559	1	0	in-vitro	HCAFMO
Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCO[NH+]=C(N)N	ZINC000049109415	581094019	/nfs/dbraw/zinc/09/40/19/581094019.db2.gz	IDCKXHIGLKQWMM-UHFFFAOYSA-N	1	1	423.424	0.286	1	0	in-vitro	HCAFMO
C[C@H](O)[C@](C)(O)C(=O)OC[C@@H]1CC[N@H+]2CC[C@@H](OC(=O)Cc3cccc(O)c3)[C@@H]12	ZINC000069482418	291181239	/nfs/dbraw/zinc/18/12/39/291181239.db2.gz	LNBMZZKLBHDBAH-SSXBFIPSSA-N	1	1	407.463	0.616	1	0	biogenic,in-vitro	HCAFMO
CC[N@H+]1C[C@@]2(C)[C@H]3C[C@H]4[C@@H]1[C@@]3([C@@H]1C[C@H]3[C@H](O)[C@@H]1[C@]4(OC)C[C@@H]3OC)[C@@H](O)C[C@H]2O	ZINC000095910229	291174289	/nfs/dbraw/zinc/17/42/89/291174289.db2.gz	OUHXFIWCHDIJBE-GLJVVQBPSA-N	1	1	407.551	0.876	1	0	biogenic,in-vitro	HCAFMO
COC(=O)[C@]12CC[C@]3(C1)[C@@H]1[N@@H+](CC[C@@]14c1cccc(OC)c1N[C@@]24O)C[C@@H](O)[C@@H]3O	ZINC000095912648	291177138	/nfs/dbraw/zinc/17/71/38/291177138.db2.gz	GNXKRDYLQPMSRO-XXWJJZDTSA-N	1	1	416.474	0.200	1	0	biogenic,in-vitro	HCAFMO
CC[N@H+]1C[C@]2(C)CC[C@H](O)[C@]34[C@@H]2C[C@@]2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@@H]3[C@]5(O)[C@H]2O)[C@@H]14	ZINC000095918896	291174277	/nfs/dbraw/zinc/17/42/77/291174277.db2.gz	ONGBEVLXHZYLKN-YNSSLJIVSA-N	1	1	421.534	0.500	1	0	biogenic,in-vitro	HCAFMO
CC[N@H+]1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@H]23)[C@@H]14	ZINC000095919302	291174283	/nfs/dbraw/zinc/17/42/83/291174283.db2.gz	FHJXOGXXDNBSMN-ISLXIILFSA-N	1	1	423.550	0.254	1	0	biogenic,in-vitro	HCAFMO