smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCCNCc1c[nH]c2ccccc12	ZINC000013440106	181190382	/nfs/dbraw/zinc/19/03/82/181190382.db2.gz	MATURKKSYUGPNH-UHFFFAOYSA-N	1	3	245.330	1.131	1	0		BDAFHO
CCc1ccccc1N1C(=[NH2+])NC(=N)NC1(C)C	ZINC000028247990	535941472	/nfs/dbraw/zinc/94/14/72/535941472.db2.gz	MCUJWFHYDZMPKS-UHFFFAOYSA-N	1	3	245.330	1.435	1	0		BDAFHO
CCc1ccccc1N1C(=N)NC(=[NH2+])NC1(C)C	ZINC000028247990	535941478	/nfs/dbraw/zinc/94/14/78/535941478.db2.gz	MCUJWFHYDZMPKS-UHFFFAOYSA-N	1	3	245.330	1.435	1	0		BDAFHO
c1ccc(C2=[NH+]C[C@@]3(CN4CCC3CC4)N2)cc1	ZINC000073141632	183388755	/nfs/dbraw/zinc/38/87/55/183388755.db2.gz	PFFDUVATZBBEFV-HNNXBMFYSA-N	1	3	241.338	1.501	1	0		BDAFHO
NCCC[NH2+]CCCCCC(=O)C(F)(F)F	ZINC000096282273	181381850	/nfs/dbraw/zinc/38/18/50/181381850.db2.gz	LYHQJWHAOKHZFC-UHFFFAOYSA-N	1	3	240.269	1.617	1	0		BDAFHO
Cc1cccc(N2C(=N)NC(=[NH2+])NC2(C)C)c1C	ZINC000045301437	132354717	/nfs/dbraw/zinc/35/47/17/132354717.db2.gz	ADDHMQDYCGJBSA-UHFFFAOYSA-N	1	3	245.330	1.489	1	0		BDAFHO
CCC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccccc1	ZINC000045302591	535496589	/nfs/dbraw/zinc/49/65/89/535496589.db2.gz	XDXYYCZGVGBEOJ-SNVBAGLBSA-N	1	3	231.303	1.262	1	0		BDAFHO
CCC[NH2+][C@H]1CC[C@@H]2N=C(N)S[C@@H]2C1	ZINC000033961847	169292679	/nfs/dbraw/zinc/29/26/79/169292679.db2.gz	FBDPRQPQWAADRA-XHNCKOQMSA-N	1	3	213.350	1.337	1	0		BDAFHO
C[N@@H+]1CC[C@]2(N)C[C@H]1Cc1ccc(O)cc12	ZINC000026383171	173166351	/nfs/dbraw/zinc/16/63/51/173166351.db2.gz	LCDVKHXYUIXHBW-MFKMUULPSA-N	1	3	218.300	1.197	1	0		BDAFHO
C[N@H+]1CC[C@]2(N)C[C@H]1Cc1ccc(O)cc12	ZINC000026383171	173166354	/nfs/dbraw/zinc/16/63/54/173166354.db2.gz	LCDVKHXYUIXHBW-MFKMUULPSA-N	1	3	218.300	1.197	1	0		BDAFHO
N=C(SCCNCCC[NH3+])c1cccnc1	ZINC000027211650	181206924	/nfs/dbraw/zinc/20/69/24/181206924.db2.gz	LHJXSTCFBLOCDT-UHFFFAOYSA-N	1	3	238.360	1.079	1	0		BDAFHO
CCC[C@H]1NC(=N)NC(=[NH2+])N1c1ccccc1	ZINC000045302592	132354593	/nfs/dbraw/zinc/35/45/93/132354593.db2.gz	XDXYYCZGVGBEOJ-JTQLQIEISA-N	1	3	231.303	1.262	1	0		BDAFHO
Cc1ccc(N2C(=[NH2+])NC(=N)N[C@@H]2C(C)C)cc1	ZINC000013809239	132322307	/nfs/dbraw/zinc/32/23/07/132322307.db2.gz	VZUPZCGJBVZOJK-NSHDSACASA-N	1	3	245.330	1.427	1	0		BDAFHO
COc1cccc2nc(N)n(CCC[NH+](C)C)c21	ZINC000013675169	175307835	/nfs/dbraw/zinc/30/78/35/175307835.db2.gz	UPNACDYVUYTPCI-UHFFFAOYSA-N	1	3	248.330	1.579	1	0		BDAFHO
CCC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(C)cc1	ZINC000013809233	535496364	/nfs/dbraw/zinc/49/63/64/535496364.db2.gz	JOIGYABBXVVXCW-LLVKDONJSA-N	1	3	245.330	1.571	1	0		BDAFHO
CCC[NH2+][C@H]1CC[C@H]2N=C(N)S[C@@H]2C1	ZINC000033961845	169292580	/nfs/dbraw/zinc/29/25/80/169292580.db2.gz	FBDPRQPQWAADRA-DJLDLDEBSA-N	1	3	213.350	1.337	1	0		BDAFHO
CC[C@H]1NC(=N)NC(=[NH2+])N1c1ccc(C)cc1	ZINC000013809231	132322463	/nfs/dbraw/zinc/32/24/63/132322463.db2.gz	JVSPLIKLKSADIK-JTQLQIEISA-N	1	3	231.303	1.181	1	0		BDAFHO
CCC[NH2+][C@H]1CC[C@@H]2N=C(N)S[C@H]2C1	ZINC000034548893	169293087	/nfs/dbraw/zinc/29/30/87/169293087.db2.gz	FBDPRQPQWAADRA-CIUDSAMLSA-N	1	3	213.350	1.337	1	0		BDAFHO
Cc1ccc(N2C(=[NH2+])NC(=N)N[C@H]2C(C)C)cc1	ZINC000013809237	132322288	/nfs/dbraw/zinc/32/22/88/132322288.db2.gz	VZUPZCGJBVZOJK-LLVKDONJSA-N	1	3	245.330	1.427	1	0		BDAFHO
CC[C@@]1(C)NC(=[NH2+])NC(=N)N1c1ccccc1	ZINC000045227090	536070149	/nfs/dbraw/zinc/07/01/49/536070149.db2.gz	KRGKPEHYNIPZRV-LBPRGKRZSA-N	1	3	231.303	1.262	1	0		BDAFHO
CC[C@@]1(C)NC(=N)NC(=[NH2+])N1c1ccccc1	ZINC000045227090	536070151	/nfs/dbraw/zinc/07/01/51/536070151.db2.gz	KRGKPEHYNIPZRV-LBPRGKRZSA-N	1	3	231.303	1.262	1	0		BDAFHO
CC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(C)cc1	ZINC000013809229	132322460	/nfs/dbraw/zinc/32/24/60/132322460.db2.gz	JVSPLIKLKSADIK-SNVBAGLBSA-N	1	3	231.303	1.181	1	0		BDAFHO
CCC[NH2+][C@H]1CC[C@H]2N=C(N)S[C@H]2C1	ZINC000034548891	169292347	/nfs/dbraw/zinc/29/23/47/169292347.db2.gz	FBDPRQPQWAADRA-YIZRAAEISA-N	1	3	213.350	1.337	1	0		BDAFHO
CC[C@]1(C)NC(=[NH2+])NC(=N)N1c1ccccc1	ZINC000045227086	132354667	/nfs/dbraw/zinc/35/46/67/132354667.db2.gz	KRGKPEHYNIPZRV-GFCCVEGCSA-N	1	3	231.303	1.262	1	0		BDAFHO
CC[C@]1(C)NC(=N)NC(=[NH2+])N1c1ccccc1	ZINC000045227086	132354668	/nfs/dbraw/zinc/35/46/68/132354668.db2.gz	KRGKPEHYNIPZRV-GFCCVEGCSA-N	1	3	231.303	1.262	1	0		BDAFHO
c1ccc(C2=[NH+]C[C@]3(CN4CCC3CC4)N2)cc1	ZINC000073141633	183389583	/nfs/dbraw/zinc/38/95/83/183389583.db2.gz	PFFDUVATZBBEFV-OAHLLOKOSA-N	1	3	241.338	1.501	1	0		BDAFHO
CCC[C@H]1NC(=N)NC(=[NH2+])N1c1ccc(C)cc1	ZINC000013809235	132322221	/nfs/dbraw/zinc/32/22/21/132322221.db2.gz	JOIGYABBXVVXCW-NSHDSACASA-N	1	3	245.330	1.571	1	0		BDAFHO