smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1	ZINC000171651390	187227274	/nfs/dbraw/zinc/22/72/74/187227274.db2.gz	CKBHQIJUWIOSPD-CQSZACIVSA-N	2	1	245.370	2.700	10	30		BFEEMP
C=C(C)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000171651390	187227277	/nfs/dbraw/zinc/22/72/77/187227277.db2.gz	CKBHQIJUWIOSPD-CQSZACIVSA-N	2	1	245.370	2.700	10	30		BFEEMP
C=C(C)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000171651390	187227279	/nfs/dbraw/zinc/22/72/79/187227279.db2.gz	CKBHQIJUWIOSPD-CQSZACIVSA-N	2	1	245.370	2.700	10	30		BFEEMP
C=C[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1	ZINC000235213740	344846525	/nfs/dbraw/zinc/84/65/25/344846525.db2.gz	UUYHATHDDXTUGC-CQSZACIVSA-N	2	1	232.371	2.673	10	30		BFEEMP
C=CC[C@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1	ZINC000307626864	345867410	/nfs/dbraw/zinc/86/74/10/345867410.db2.gz	KUNHQCKODIHQOQ-HNNXBMFYSA-N	2	1	230.355	2.556	10	30		BFEEMP
C=CC[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1	ZINC000307626864	345867413	/nfs/dbraw/zinc/86/74/13/345867413.db2.gz	KUNHQCKODIHQOQ-HNNXBMFYSA-N	2	1	230.355	2.556	10	30		BFEEMP
C=CC[NH+](CC=C)CC1(C[NH2+]C2CC2)CCCC1	ZINC000051216317	166334131	/nfs/dbraw/zinc/33/41/31/166334131.db2.gz	OZMCTIZQNMPPPJ-UHFFFAOYSA-N	2	1	248.414	2.973	10	30		BFEEMP
C=CC[NH+](CC=C)CC[C@@H]([NH3+])c1ccccc1	ZINC000020071281	166335534	/nfs/dbraw/zinc/33/55/34/166335534.db2.gz	YYTPFSULSSWAAC-OAHLLOKOSA-N	2	1	230.355	2.751	10	30		BFEEMP
C=CC[NH2+]C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000053492319	187306056	/nfs/dbraw/zinc/30/60/56/187306056.db2.gz	DVMFLPHVJMSADH-QLFBSQMISA-N	2	1	236.403	2.663	10	30		BFEEMP
C=CC[NH2+]C[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000053492319	187306058	/nfs/dbraw/zinc/30/60/58/187306058.db2.gz	DVMFLPHVJMSADH-QLFBSQMISA-N	2	1	236.403	2.663	10	30		BFEEMP
C=CC[NH+](CC=C)Cc1cc(C[NH2+]CCC)co1	ZINC000052376596	166334745	/nfs/dbraw/zinc/33/47/45/166334745.db2.gz	ZGCWQSSILTXEOH-UHFFFAOYSA-N	2	1	248.370	2.953	10	30		BFEEMP
C=CC[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1	ZINC000307626865	345867521	/nfs/dbraw/zinc/86/75/21/345867521.db2.gz	KUNHQCKODIHQOQ-OAHLLOKOSA-N	2	1	230.355	2.556	10	30		BFEEMP
C=CC[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1	ZINC000307626865	345867523	/nfs/dbraw/zinc/86/75/23/345867523.db2.gz	KUNHQCKODIHQOQ-OAHLLOKOSA-N	2	1	230.355	2.556	10	30		BFEEMP
C=C(C)C[N@@H+](CC)CCCCCCC[NH3+]	ZINC000020074235	187315400	/nfs/dbraw/zinc/31/54/00/187315400.db2.gz	AFYYPZSMBQEBLI-UHFFFAOYSA-N	2	1	212.381	2.794	10	30		BFEEMP
C=CC[NH+](CC=C)C[C@@H]1CCC[C@@H]1[NH2+]CCC	ZINC000053866170	166336071	/nfs/dbraw/zinc/33/60/71/166336071.db2.gz	NQMUOOTUWATTEG-GJZGRUSLSA-N	2	1	236.403	2.829	10	30		BFEEMP
C=C(C)C[N@H+](CC)Cc1ccc(C[NH3+])cc1	ZINC000020074163	187206457	/nfs/dbraw/zinc/20/64/57/187206457.db2.gz	UXVCOFMFQZQINB-UHFFFAOYSA-N	2	1	218.344	2.543	10	30		BFEEMP
CCC[N@@H+](Cc1ccccc1C#CC[NH3+])C(C)C	ZINC000049608954	169178110	/nfs/dbraw/zinc/17/81/10/169178110.db2.gz	JOJOCMOAGUOUPZ-UHFFFAOYSA-N	2	1	244.382	2.617	10	30		BFEEMP
CCCCCCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1	ZINC000300046828	592501654	/nfs/dbraw/zinc/50/16/54/592501654.db2.gz	AIVCQZCVHTZZIA-QWHCGFSZSA-N	2	1	212.381	2.626	10	30		BFEEMP
C=C(C)C[N@H+](CC)CC[C@H]([NH3+])c1ccccc1	ZINC000020074206	187206271	/nfs/dbraw/zinc/20/62/71/187206271.db2.gz	XXIIIKSEDCJRPT-HNNXBMFYSA-N	2	1	232.371	2.975	10	30		BFEEMP
C=C(C)C[N@@H+](CC)CC[C@H]([NH3+])c1ccccc1	ZINC000020074206	187206273	/nfs/dbraw/zinc/20/62/73/187206273.db2.gz	XXIIIKSEDCJRPT-HNNXBMFYSA-N	2	1	232.371	2.975	10	30		BFEEMP
CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049609307	169365293	/nfs/dbraw/zinc/36/52/93/169365293.db2.gz	HAFSGOIUAANAHC-CQSZACIVSA-N	2	1	244.382	2.617	10	30		BFEEMP
C=CC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000714996058	712503291	/nfs/dbraw/zinc/50/32/91/712503291.db2.gz	MLDADWMQFPUDFS-BMFZPTHFSA-N	2	1	244.382	2.625	10	30		BFEEMP
CCC(CC)[N@@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049609248	168369736	/nfs/dbraw/zinc/36/97/36/168369736.db2.gz	ZGYLASQKIKPKJF-UHFFFAOYSA-N	2	1	244.382	2.617	10	30		BFEEMP
CCC[N@@H+](Cc1cccc(C#CC[NH3+])c1)C(C)C	ZINC000049608960	169175696	/nfs/dbraw/zinc/17/56/96/169175696.db2.gz	XYIZPQKNPYJBPS-UHFFFAOYSA-N	2	1	244.382	2.617	10	30		BFEEMP
CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1	ZINC000049609309	169364965	/nfs/dbraw/zinc/36/49/65/169364965.db2.gz	QARXRXTYEZEQQG-CQSZACIVSA-N	2	1	244.382	2.617	10	30		BFEEMP
C=CC[NH+](CC=C)C[C@H]1CCC[C@@H]1[NH2+]CCC	ZINC000053866168	166335277	/nfs/dbraw/zinc/33/52/77/166335277.db2.gz	NQMUOOTUWATTEG-CABCVRRESA-N	2	1	236.403	2.829	10	30		BFEEMP
CC[C@H](C)[N@@H+](CC)Cc1ccccc1C#CC[NH3+]	ZINC000049608936	171312714	/nfs/dbraw/zinc/31/27/14/171312714.db2.gz	GAJZRLZSTDRDJR-AWEZNQCLSA-N	2	1	244.382	2.617	10	30		BFEEMP
CCC(CC)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1	ZINC000049609249	168369844	/nfs/dbraw/zinc/36/98/44/168369844.db2.gz	YHVJMFZOCNLXDJ-UHFFFAOYSA-N	2	1	244.382	2.617	10	30		BFEEMP
CC[C@H](C)[N@@H+](CC)Cc1ccc(C#CC[NH3+])cc1	ZINC000049608938	171311740	/nfs/dbraw/zinc/31/17/40/171311740.db2.gz	MJNAOOPFBKHYNX-AWEZNQCLSA-N	2	1	244.382	2.617	10	30		BFEEMP
CC[C@H](C)[N@@H+](CC)Cc1cccc(C#CC[NH3+])c1	ZINC000049608948	171312261	/nfs/dbraw/zinc/31/22/61/171312261.db2.gz	VFPNITPUDPCAGU-AWEZNQCLSA-N	2	1	244.382	2.617	10	30		BFEEMP
CCC(CC)[N@@H+](C)Cc1cccc(C#CC[NH3+])c1	ZINC000049609254	168369197	/nfs/dbraw/zinc/36/91/97/168369197.db2.gz	GYEYSHULRPYWTI-UHFFFAOYSA-N	2	1	244.382	2.617	10	30		BFEEMP
CCC[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C(C)C	ZINC000049608955	169175592	/nfs/dbraw/zinc/17/55/92/169175592.db2.gz	UCORFHAVYLQMKR-UHFFFAOYSA-N	2	1	244.382	2.617	10	30		BFEEMP
C=CC[NH+](CC=C)C[C@H]1CCC[C@H]1[NH2+]CCC	ZINC000053866167	166335257	/nfs/dbraw/zinc/33/52/57/166335257.db2.gz	NQMUOOTUWATTEG-HUUCEWRRSA-N	2	1	236.403	2.829	10	30		BFEEMP
C=C(CC)C[N@@H+](CCC[NH3+])Cc1ccccc1	ZINC000230029319	371636130	/nfs/dbraw/zinc/63/61/30/371636130.db2.gz	RDNZDYJRQKCWPS-UHFFFAOYSA-N	2	1	232.371	2.804	10	30		BFEEMP
C=CC[NH+](CC=C)C[C@@H]1CCC[C@H]1[NH2+]CCC	ZINC000053866169	166335284	/nfs/dbraw/zinc/33/52/84/166335284.db2.gz	NQMUOOTUWATTEG-LSDHHAIUSA-N	2	1	236.403	2.829	10	30		BFEEMP
C=CC[NH+](CC=C)Cc1ccoc1C[NH2+]CC	ZINC000052376488	166337728	/nfs/dbraw/zinc/33/77/28/166337728.db2.gz	UOJHGSVTEJZWQW-UHFFFAOYSA-N	2	1	234.343	2.563	10	30		BFEEMP
C=C(C)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000171651387	188079804	/nfs/dbraw/zinc/07/98/04/188079804.db2.gz	CKBHQIJUWIOSPD-AWEZNQCLSA-N	2	1	245.370	2.700	10	30		BFEEMP
C=C(C)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000171651387	188079806	/nfs/dbraw/zinc/07/98/06/188079806.db2.gz	CKBHQIJUWIOSPD-AWEZNQCLSA-N	2	1	245.370	2.700	10	30		BFEEMP
CCC[C@@H](C)[N@@H+](C)Cc1cccc(C#CC[NH3+])c1	ZINC000049609319	169365604	/nfs/dbraw/zinc/36/56/04/169365604.db2.gz	NDUBQBOJVJYCPO-CQSZACIVSA-N	2	1	244.382	2.617	10	30		BFEEMP
C=CC[NH+](CC=C)CC[C@H]([NH3+])c1ccccc1	ZINC000020071278	166335504	/nfs/dbraw/zinc/33/55/04/166335504.db2.gz	YYTPFSULSSWAAC-HNNXBMFYSA-N	2	1	230.355	2.751	10	30		BFEEMP
C=C[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1	ZINC000235516230	344928994	/nfs/dbraw/zinc/92/89/94/344928994.db2.gz	UUYHATHDDXTUGC-AWEZNQCLSA-N	2	1	232.371	2.673	10	30		BFEEMP
C=CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000714996060	712503319	/nfs/dbraw/zinc/50/33/19/712503319.db2.gz	MLDADWMQFPUDFS-IMJJTQAJSA-N	2	1	244.382	2.625	10	30		BFEEMP