smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH3+]	ZINC000013529566	181058167	/nfs/dbraw/zinc/05/81/67/181058167.db2.gz	QDTZVUPUBDCGCD-IUCAKERBSA-N	2	1	210.281	-0.433	10	30		BBEEMP
C[NH+]1CCN(C2(C#N)CC[NH2+]CC2)CC1	ZINC000019685227	173076827	/nfs/dbraw/zinc/07/68/27/173076827.db2.gz	KTPCOOGKXMIUTE-UHFFFAOYSA-N	2	1	208.309	-0.120	10	30		BBEEMP
N#C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH3+]	ZINC000027555572	181058742	/nfs/dbraw/zinc/05/87/42/181058742.db2.gz	QDTZVUPUBDCGCD-DTWKUNHWSA-N	2	1	210.281	-0.433	10	30		BBEEMP
CCCCOC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]	ZINC000034154472	398343236	/nfs/dbraw/zinc/34/32/36/398343236.db2.gz	UQTGZDUYNOOQRP-QMMMGPOBSA-N	2	1	230.312	-0.289	10	30		BBEEMP
N#CCNC(=O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1	ZINC000037904808	188289429	/nfs/dbraw/zinc/28/94/29/188289429.db2.gz	KGQRCAQORJRYBH-SNVBAGLBSA-N	2	1	236.319	-0.300	10	30		BBEEMP
N#CCNC(=O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1	ZINC000037904808	188289426	/nfs/dbraw/zinc/28/94/26/188289426.db2.gz	KGQRCAQORJRYBH-SNVBAGLBSA-N	2	1	236.319	-0.300	10	30		BBEEMP
C#CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038031396	166135049	/nfs/dbraw/zinc/13/50/49/166135049.db2.gz	DNPMGVQMHNWTNO-UHFFFAOYSA-N	2	1	209.293	-0.627	10	30		BBEEMP
C=C(C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038031400	187317848	/nfs/dbraw/zinc/31/78/48/187317848.db2.gz	GBINCBKDPXKTQB-UHFFFAOYSA-N	2	1	211.309	-0.074	10	30		BBEEMP
C#CCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1	ZINC000038042969	187318400	/nfs/dbraw/zinc/31/84/00/187318400.db2.gz	IHDCVYNOFGHQOG-LBPRGKRZSA-N	2	1	235.331	-0.048	10	30		BBEEMP
C#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1	ZINC000038042969	187318399	/nfs/dbraw/zinc/31/83/99/187318399.db2.gz	IHDCVYNOFGHQOG-LBPRGKRZSA-N	2	1	235.331	-0.048	10	30		BBEEMP
C#CCNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1	ZINC000038042970	188007752	/nfs/dbraw/zinc/00/77/52/188007752.db2.gz	IHDCVYNOFGHQOG-GFCCVEGCSA-N	2	1	235.331	-0.048	10	30		BBEEMP
C#CCNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1	ZINC000038042970	188007750	/nfs/dbraw/zinc/00/77/50/188007750.db2.gz	IHDCVYNOFGHQOG-GFCCVEGCSA-N	2	1	235.331	-0.048	10	30		BBEEMP
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1	ZINC000040508424	188396621	/nfs/dbraw/zinc/39/66/21/188396621.db2.gz	SEFVCKRHFJDHCU-NSHDSACASA-N	2	1	221.304	-0.484	10	30		BBEEMP
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1	ZINC000040508424	188396620	/nfs/dbraw/zinc/39/66/20/188396620.db2.gz	SEFVCKRHFJDHCU-NSHDSACASA-N	2	1	221.304	-0.484	10	30		BBEEMP
C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749946	188145519	/nfs/dbraw/zinc/14/55/19/188145519.db2.gz	UCZBLGLYEYELCP-FGWVZKOKSA-N	2	1	221.304	-0.310	10	30		BBEEMP
C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749946	188145518	/nfs/dbraw/zinc/14/55/18/188145518.db2.gz	UCZBLGLYEYELCP-FGWVZKOKSA-N	2	1	221.304	-0.310	10	30		BBEEMP
N#Cc1cccc(OC[C@H](O)C[NH2+]CC[NH3+])c1	ZINC000050523660	181143302	/nfs/dbraw/zinc/14/33/02/181143302.db2.gz	GLLAHKDQHUKQMV-LLVKDONJSA-N	2	1	235.287	-0.154	10	30		BBEEMP
N#Cc1cccc(OC[C@@H](O)C[NH2+]CC[NH3+])c1	ZINC000050523662	181142490	/nfs/dbraw/zinc/14/24/90/181142490.db2.gz	GLLAHKDQHUKQMV-NSHDSACASA-N	2	1	235.287	-0.154	10	30		BBEEMP
C#CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC	ZINC000083352872	166206829	/nfs/dbraw/zinc/20/68/29/166206829.db2.gz	LUXVRKKFFYURHL-MNOVXSKESA-N	2	1	223.320	-0.063	10	30		BBEEMP
C#CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1	ZINC000083367226	166206266	/nfs/dbraw/zinc/20/62/66/166206266.db2.gz	WZSJHDWAUAEKLX-NSHDSACASA-N	2	1	239.319	-0.825	10	30		BBEEMP
C=CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1	ZINC000083369648	188270573	/nfs/dbraw/zinc/27/05/73/188270573.db2.gz	WOMOLHKSMJNCEP-NSHDSACASA-N	2	1	241.335	-0.272	10	30		BBEEMP
CC[N@@H+](CCC[NH+](C)C)CCNC(=O)/C=N/O	ZINC000095115844	521008078	/nfs/dbraw/zinc/00/80/78/521008078.db2.gz	JAGGFPYFVPFKOA-JLHYYAGUSA-N	2	1	244.339	-0.164	10	30		BBEEMP
CC[N@H+](CCC[NH+](C)C)CCNC(=O)/C=N/O	ZINC000095115844	521008069	/nfs/dbraw/zinc/00/80/69/521008069.db2.gz	JAGGFPYFVPFKOA-JLHYYAGUSA-N	2	1	244.339	-0.164	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261598447	135237222	/nfs/dbraw/zinc/23/72/22/135237222.db2.gz	ZNSWJMKEBSRTFW-AXFHLTTASA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261598447	135237221	/nfs/dbraw/zinc/23/72/21/135237221.db2.gz	ZNSWJMKEBSRTFW-AXFHLTTASA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261598450	135236624	/nfs/dbraw/zinc/23/66/24/135236624.db2.gz	ZNSWJMKEBSRTFW-DCAQKATOSA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261598450	135236622	/nfs/dbraw/zinc/23/66/22/135236622.db2.gz	ZNSWJMKEBSRTFW-DCAQKATOSA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261598453	135237215	/nfs/dbraw/zinc/23/72/15/135237215.db2.gz	ZNSWJMKEBSRTFW-GARJFASQSA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261598453	135237214	/nfs/dbraw/zinc/23/72/14/135237214.db2.gz	ZNSWJMKEBSRTFW-GARJFASQSA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261598455	135237174	/nfs/dbraw/zinc/23/71/74/135237174.db2.gz	ZNSWJMKEBSRTFW-HBNTYKKESA-N	2	1	223.320	-0.042	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261598455	135237173	/nfs/dbraw/zinc/23/71/73/135237173.db2.gz	ZNSWJMKEBSRTFW-HBNTYKKESA-N	2	1	223.320	-0.042	10	30		BBEEMP
COCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1C	ZINC000261876201	135258948	/nfs/dbraw/zinc/25/89/48/135258948.db2.gz	PXOJSBFOWUCYSW-SECBINFHSA-N	2	1	214.313	-0.369	10	30		BBEEMP
COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C	ZINC000261876202	135259233	/nfs/dbraw/zinc/25/92/33/135259233.db2.gz	PXOJSBFOWUCYSW-VIFPVBQESA-N	2	1	214.313	-0.369	10	30		BBEEMP
N[NH+]=C(N)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC000307365108	352451092	/nfs/dbraw/zinc/45/10/92/352451092.db2.gz	KXKDTLFOSJCVGD-GDNZZTSVSA-N	2	1	245.330	-0.105	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1	ZINC000631842837	372640908	/nfs/dbraw/zinc/64/09/08/372640908.db2.gz	GUQBQOSGNHIZBR-UWVGGRQHSA-N	2	1	211.309	-0.185	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1	ZINC000631842837	372640901	/nfs/dbraw/zinc/64/09/01/372640901.db2.gz	GUQBQOSGNHIZBR-UWVGGRQHSA-N	2	1	211.309	-0.185	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1	ZINC000631842838	372640946	/nfs/dbraw/zinc/64/09/46/372640946.db2.gz	GUQBQOSGNHIZBR-VHSXEESVSA-N	2	1	211.309	-0.185	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1	ZINC000631842838	372640939	/nfs/dbraw/zinc/64/09/39/372640939.db2.gz	GUQBQOSGNHIZBR-VHSXEESVSA-N	2	1	211.309	-0.185	10	30		BBEEMP
C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000631842839	372641740	/nfs/dbraw/zinc/64/17/40/372641740.db2.gz	GUQBQOSGNHIZBR-ZJUUUORDSA-N	2	1	211.309	-0.185	10	30		BBEEMP
C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000631842839	372641735	/nfs/dbraw/zinc/64/17/35/372641735.db2.gz	GUQBQOSGNHIZBR-ZJUUUORDSA-N	2	1	211.309	-0.185	10	30		BBEEMP
C#CC[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1	ZINC000725258115	582788708	/nfs/dbraw/zinc/78/87/08/582788708.db2.gz	HCCDVSCQMZQDHI-UHFFFAOYSA-N	2	1	233.275	-0.811	10	30		BBEEMP