smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]=C(NCC[NH+]1CCCCC1)NC[C@H]1CN(C)CCO1	ZINC000115952457	220204371	/nfs/dbraw/zinc/20/43/71/220204371.db2.gz	UZRGQVBIQASERL-AWEZNQCLSA-N	2	0	297.447	-0.032	10	30		CBEERP
C[n+]1ccc([C@@H](O)[NH2+]CCC[N+](C)(C)C)cc1/C=N/[O-]	ZINC000020293508	171134448	/nfs/dbraw/zinc/13/44/48/171134448.db2.gz	VXSZESOTZXIIEG-CQSZACIVSA-O	2	0	282.388	-0.004	10	30		CBEERP
C[C@@H](C/C(N)=N/O)[NH+]1CCN(CC[NH+](C)C)CC1	ZINC000061644605	524309143	/nfs/dbraw/zinc/30/91/43/524309143.db2.gz	NJNMTSWAPAHRSC-NSHDSACASA-N	2	0	257.382	-0.309	10	30		CBEERP
CC[C@](C)(O)[C@H]([NH3+])C(=O)N/C=N/CCC[N+](C)(C)C	ZINC000604934900	717185433	/nfs/dbraw/zinc/18/54/33/717185433.db2.gz	OVHHHCYADLQTQD-YPMHNXCESA-O	2	0	273.401	-0.285	10	30		CBEERP
C[n+]1ccc([C@H](O)[NH2+]CCC[N+](C)(C)C)cc1/C=N/[O-]	ZINC000020293511	171134766	/nfs/dbraw/zinc/13/47/66/171134766.db2.gz	VXSZESOTZXIIEG-AWEZNQCLSA-O	2	0	282.388	-0.004	10	30		CBEERP
CNC(=O)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C	ZINC000261961048	656128009	/nfs/dbraw/zinc/12/80/09/656128009.db2.gz	KFELSJABKGUTOK-WDEREUQCSA-N	2	0	269.393	-0.374	10	30		CBEERP
C[NH+](C)CCN1CC[NH+](C[C@@]2(C=O)CCOC2)CC1	ZINC000061653408	521765253	/nfs/dbraw/zinc/76/52/53/521765253.db2.gz	QECBEWHFIPJBHI-CQSZACIVSA-N	2	0	269.389	-0.229	10	30		CBEERP
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261971687	656127799	/nfs/dbraw/zinc/12/77/99/656127799.db2.gz	MZEXORWNFHSTDO-NWDGAFQWSA-N	2	0	283.420	-0.032	10	30		CBEERP
CC[C@](C)(O)[C@@H]([NH3+])C(=O)N/C=N/CCC[N+](C)(C)C	ZINC000604934898	717185675	/nfs/dbraw/zinc/18/56/75/717185675.db2.gz	OVHHHCYADLQTQD-AAEUAGOBSA-O	2	0	273.401	-0.285	10	30		CBEERP
C[NH+]=C(NCCN1CCSCC1)N[C@H]1CCC(=O)NC1	ZINC000262767276	220257848	/nfs/dbraw/zinc/25/78/48/220257848.db2.gz	GKCQHWJTCCDDAI-NSHDSACASA-N	2	0	299.444	-0.521	10	30		CBEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC#N)CC1	ZINC000108867533	278395199	/nfs/dbraw/zinc/39/51/99/278395199.db2.gz	FLLPOPLPYGGGKQ-GFCCVEGCSA-N	2	0	282.388	-0.349	10	30		CBEERP
C[C@H](C/C(N)=N/O)[NH+]1CCN(CC[NH+](C)C)CC1	ZINC000061644606	526196774	/nfs/dbraw/zinc/19/67/74/526196774.db2.gz	NJNMTSWAPAHRSC-LLVKDONJSA-N	2	0	257.382	-0.309	10	30		CBEERP
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261971689	656127570	/nfs/dbraw/zinc/12/75/70/656127570.db2.gz	MZEXORWNFHSTDO-VXGBXAGGSA-N	2	0	283.420	-0.032	10	30		CBEERP
COc1ccc(CCNC(=[NH2+])NC(N)=[NH2+])cc1OC	ZINC000006484638	170204718	/nfs/dbraw/zinc/20/47/18/170204718.db2.gz	GQKIIAZZPKFZAK-UHFFFAOYSA-N	2	0	265.317	-0.166	10	30		CBEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC#N)CC1	ZINC000108867530	290084304	/nfs/dbraw/zinc/08/43/04/290084304.db2.gz	FLLPOPLPYGGGKQ-LBPRGKRZSA-N	2	0	282.388	-0.349	10	30		CBEERP
C[NH+]=C(NCC[NH+]1CCCCC1)NC[C@@H]1CN(C)CCO1	ZINC000115952456	220204715	/nfs/dbraw/zinc/20/47/15/220204715.db2.gz	UZRGQVBIQASERL-CQSZACIVSA-N	2	0	297.447	-0.032	10	30		CBEERP
C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CCC(=O)NC1	ZINC000262767274	220258273	/nfs/dbraw/zinc/25/82/73/220258273.db2.gz	GKCQHWJTCCDDAI-LLVKDONJSA-N	2	0	299.444	-0.521	10	30		CBEERP
C[NH+](C)CCN1CC[NH+](C[C@]2(C=O)CCOC2)CC1	ZINC000061653407	521765228	/nfs/dbraw/zinc/76/52/28/521765228.db2.gz	QECBEWHFIPJBHI-AWEZNQCLSA-N	2	0	269.389	-0.229	10	30		CBEERP
CNC(=O)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C	ZINC000261961045	656128004	/nfs/dbraw/zinc/12/80/04/656128004.db2.gz	KFELSJABKGUTOK-GHMZBOCLSA-N	2	0	269.393	-0.374	10	30		CBEERP
C[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCN(C(C)=O)CC1	ZINC000263237814	419601117	/nfs/dbraw/zinc/60/11/17/419601117.db2.gz	KEMHOOBNWKUYTB-ZDUSSCGKSA-N	2	0	297.403	-0.944	10	30		CBEERP
C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CN(C)CCO1	ZINC000113863873	582116597	/nfs/dbraw/zinc/11/65/97/582116597.db2.gz	MJSPQBLWWXTHBF-NWDGAFQWSA-N	2	0	270.377	-0.339	10	30		CBEERP
C[N@@H+]1CCCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1	ZINC000261948082	220246395	/nfs/dbraw/zinc/24/63/95/220246395.db2.gz	GLXZDCRVMAXDAW-ZDUSSCGKSA-N	2	0	283.420	-0.293	10	30		CBEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCOCC1	ZINC000261626444	220244162	/nfs/dbraw/zinc/24/41/62/220244162.db2.gz	CJBWEIUKMJQWDF-CYBMUJFWSA-N	2	0	281.404	-0.670	10	30		CBEERP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCOCC1	ZINC000261626445	220244457	/nfs/dbraw/zinc/24/44/57/220244457.db2.gz	CJBWEIUKMJQWDF-ZDUSSCGKSA-N	2	0	281.404	-0.670	10	30		CBEERP
C[NH+](C)CCN1CC[NH+](CCC/C(N)=N/O)CC1	ZINC000061644596	521765850	/nfs/dbraw/zinc/76/58/50/521765850.db2.gz	POPRSZKPJRHVQH-UHFFFAOYSA-N	2	0	257.382	-0.308	10	30		CBEERP