smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc[nH+]c(NCc2ccc(N(C)C)cc2)c1	ZINC000000804328	388652601	/nfs/dbraw/zinc/65/26/01/388652601.db2.gz	LKWIHHSRRZVGAD-UHFFFAOYSA-N	1	1	241.338	3.068	40	10		BGCBMO
C[NH+](C)Cc1cc(C(C)(C)C)cc(Cl)c1O	ZINC000001596758	322810414	/nfs/dbraw/zinc/81/04/14/322810414.db2.gz	GGWKYJPTHAROCN-UHFFFAOYSA-N	1	1	241.762	3.405	40	10		BGCBMO
Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c1	ZINC000001615790	342706101	/nfs/dbraw/zinc/70/61/01/342706101.db2.gz	OQMFRLHFAVGPRP-KBPBESRZSA-N	1	1	245.366	3.323	40	10		BGCBMO
Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c(O)c1	ZINC000001615872	342706154	/nfs/dbraw/zinc/70/61/54/342706154.db2.gz	ILSQZOMLDXGFOV-KBPBESRZSA-N	1	1	245.366	3.323	40	10		BGCBMO
CN(C)c1ccc(/C=C/C2=CC[N@@H+](C)CC2)cc1	ZINC000005003320	384095080	/nfs/dbraw/zinc/09/50/80/384095080.db2.gz	PPYMVOLPVMJVPL-SNAWJCMRSA-N	1	1	242.366	3.028	40	10		BGCBMO
Nc1ccc([NH2+]CCCc2ccccc2)cc1	ZINC000005459058	342764276	/nfs/dbraw/zinc/76/42/76/342764276.db2.gz	HIDJHBWNNRIHRY-UHFFFAOYSA-N	1	1	226.323	3.314	40	10		BGCBMO
CC[N@@H+](Cc1ccco1)Cc1ccccc1O	ZINC000013993021	342875235	/nfs/dbraw/zinc/87/52/35/342875235.db2.gz	QAHITFWUFPBECV-UHFFFAOYSA-N	1	1	231.295	3.007	40	10		BGCBMO
Nc1ccc(/N=N/c2ccccc2Cl)c(N)[nH+]1	ZINC000015990245	342904304	/nfs/dbraw/zinc/90/43/04/342904304.db2.gz	FMSVBEHFAIKRNX-WUKNDPDISA-N	1	1	247.689	3.315	40	10		BGCBMO
C[C@@H]1CCC[C@@H](C)[NH+]1c1ccc(N)cc1	ZINC000022177559	132332749	/nfs/dbraw/zinc/33/27/49/132332749.db2.gz	XRRLNJAEEDHWQZ-GHMZBOCLSA-N	1	1	204.317	3.036	40	10		BGCBMO
C[C@@H]1CCC[C@H](C)[N@@H+]1c1ccc(N)cc1	ZINC000022177562	132332599	/nfs/dbraw/zinc/33/25/99/132332599.db2.gz	XRRLNJAEEDHWQZ-PHIMTYICSA-N	1	1	204.317	3.036	40	10		BGCBMO
C[C@@H]1CCC[C@H](C)[N@H+]1c1ccc(N)cc1	ZINC000022177562	132332598	/nfs/dbraw/zinc/33/25/98/132332598.db2.gz	XRRLNJAEEDHWQZ-PHIMTYICSA-N	1	1	204.317	3.036	40	10		BGCBMO
C[C@H]1CCC[C@H](C)[NH+]1c1ccc(N)cc1	ZINC000022177566	132332642	/nfs/dbraw/zinc/33/26/42/132332642.db2.gz	XRRLNJAEEDHWQZ-QWRGUYRKSA-N	1	1	204.317	3.036	40	10		BGCBMO
Cc1ccc(C)n1-c1ccc(C2=[NH+]CCC2)cn1	ZINC000072216743	259527739	/nfs/dbraw/zinc/52/77/39/259527739.db2.gz	NNXUPUFHIJIZIB-UHFFFAOYSA-N	1	1	239.322	3.072	40	10		BGCBMO
Nc1ccc([NH+]2CCC(C(F)(F)F)CC2)cc1	ZINC000085652813	384960234	/nfs/dbraw/zinc/96/02/34/384960234.db2.gz	MRTVLSNZOHIYRU-UHFFFAOYSA-N	1	1	244.260	3.048	40	10		BGCBMO
Nc1ccc(/N=N\c2ccccc2Cl)c(N)[nH+]1	ZINC000100366582	384635610	/nfs/dbraw/zinc/63/56/10/384635610.db2.gz	FMSVBEHFAIKRNX-MSUUIHNZSA-N	1	1	247.689	3.315	40	10		BGCBMO
CC(F)(F)C1CC[NH+](c2ccc(N)cc2)CC1	ZINC000409431185	343809687	/nfs/dbraw/zinc/80/96/87/343809687.db2.gz	SFPJTVNYZCCGQO-UHFFFAOYSA-N	1	1	240.297	3.140	40	10		BGCBMO