smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1	ZINC000126684561	324709612	/nfs/dbraw/zinc/70/96/12/324709612.db2.gz	PJVGABZQGCRZHY-RYUDHWBXSA-N	1	0	245.391	4.517	20	30		BJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1	ZINC000126684775	388699892	/nfs/dbraw/zinc/69/98/92/388699892.db2.gz	PJVGABZQGCRZHY-NEPJUHHUSA-N	1	0	245.391	4.517	20	30		BJEDRO
C=CC[C@H](C)[NH2+][C@H](C)c1cc2ccccc2s1	ZINC000126685015	323998379	/nfs/dbraw/zinc/99/83/79/323998379.db2.gz	PJVGABZQGCRZHY-NWDGAFQWSA-N	1	0	245.391	4.517	20	30		BJEDRO
C=CC[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2s1	ZINC000126685270	324709658	/nfs/dbraw/zinc/70/96/58/324709658.db2.gz	PJVGABZQGCRZHY-VXGBXAGGSA-N	1	0	245.391	4.517	20	30		BJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccsc1	ZINC000132000715	491134434	/nfs/dbraw/zinc/13/44/34/491134434.db2.gz	INKMKKHJCXMBTE-STQMWFEESA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1	ZINC000132000926	491134446	/nfs/dbraw/zinc/13/44/46/491134446.db2.gz	INKMKKHJCXMBTE-OLZOCXBDSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccsc1	ZINC000132001127	491134457	/nfs/dbraw/zinc/13/44/57/491134457.db2.gz	INKMKKHJCXMBTE-QWHCGFSZSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccsc1	ZINC000132001328	491134424	/nfs/dbraw/zinc/13/44/24/491134424.db2.gz	INKMKKHJCXMBTE-CHWSQXEVSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cccs1	ZINC000132003731	386216346	/nfs/dbraw/zinc/21/63/46/386216346.db2.gz	BUVOPZJWONAAMP-STQMWFEESA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccs1	ZINC000132003904	386217231	/nfs/dbraw/zinc/21/72/31/386217231.db2.gz	BUVOPZJWONAAMP-OLZOCXBDSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@H](C)[NH2+][C@H](C)c1cccs1	ZINC000132004136	386216995	/nfs/dbraw/zinc/21/69/95/386216995.db2.gz	BUVOPZJWONAAMP-QWHCGFSZSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cccs1	ZINC000132004333	191022148	/nfs/dbraw/zinc/02/21/48/191022148.db2.gz	BUVOPZJWONAAMP-CHWSQXEVSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](CC)c1cccs1	ZINC000133105987	191036026	/nfs/dbraw/zinc/03/60/26/191036026.db2.gz	FMTIUZJGTWNXGP-STQMWFEESA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCC[C@H](C)[NH2+][C@H](CC)c1cccs1	ZINC000133106195	191036042	/nfs/dbraw/zinc/03/60/42/191036042.db2.gz	FMTIUZJGTWNXGP-QWHCGFSZSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](CC)c1cccs1	ZINC000133106406	191036299	/nfs/dbraw/zinc/03/62/99/191036299.db2.gz	FMTIUZJGTWNXGP-OLZOCXBDSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCC[C@@H](C)[NH2+][C@H](CC)c1cccs1	ZINC000133106566	191036192	/nfs/dbraw/zinc/03/61/92/191036192.db2.gz	FMTIUZJGTWNXGP-CHWSQXEVSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CC[C@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1	ZINC000163311188	202368639	/nfs/dbraw/zinc/36/86/39/202368639.db2.gz	AGXBUIDXMDEHNC-SWLSCSKDSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CC[C@@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1	ZINC000163311309	202368126	/nfs/dbraw/zinc/36/81/26/202368126.db2.gz	AGXBUIDXMDEHNC-IUODEOHRSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CC[C@H](C)[NH2+][C@H](c1cccs1)C1CCCC1	ZINC000163311416	202366976	/nfs/dbraw/zinc/36/69/76/202366976.db2.gz	AGXBUIDXMDEHNC-WFASDCNBSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CC[C@@H](C)[NH2+][C@H](c1cccs1)C1CCCC1	ZINC000163311564	202367868	/nfs/dbraw/zinc/36/78/68/202367868.db2.gz	AGXBUIDXMDEHNC-DOMZBBRYSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccsc1	ZINC000310034874	487911487	/nfs/dbraw/zinc/91/14/87/487911487.db2.gz	SRKDEKGYDQVBFP-GXTWGEPZSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccsc1	ZINC000310034875	487911232	/nfs/dbraw/zinc/91/12/32/487911232.db2.gz	SRKDEKGYDQVBFP-JSGCOSHPSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccsc1	ZINC000310034876	487910848	/nfs/dbraw/zinc/91/08/48/487910848.db2.gz	SRKDEKGYDQVBFP-OCCSQVGLSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccsc1	ZINC000310034877	487911643	/nfs/dbraw/zinc/91/16/43/487911643.db2.gz	SRKDEKGYDQVBFP-TZMCWYRMSA-N	1	0	237.412	4.534	20	30		BJEDRO
CCCCCCC[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1	ZINC000310147524	635245499	/nfs/dbraw/zinc/24/54/99/635245499.db2.gz	GWKOZGGOWKSRCQ-CHWSQXEVSA-N	1	0	247.373	4.513	20	30		BJEDRO
CCCCCCC[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1	ZINC000310147525	635244353	/nfs/dbraw/zinc/24/43/53/635244353.db2.gz	GWKOZGGOWKSRCQ-OLZOCXBDSA-N	1	0	247.373	4.513	20	30		BJEDRO
CCCCCCC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1	ZINC000310147526	635243733	/nfs/dbraw/zinc/24/37/33/635243733.db2.gz	GWKOZGGOWKSRCQ-QWHCGFSZSA-N	1	0	247.373	4.513	20	30		BJEDRO
CCCCCCC[C@H](C)[NH2+][C@H]1CCC(F)(F)C1	ZINC000310147527	635244899	/nfs/dbraw/zinc/24/48/99/635244899.db2.gz	GWKOZGGOWKSRCQ-STQMWFEESA-N	1	0	247.373	4.513	20	30		BJEDRO
C=C(C)CC[NH2+][C@H](C)c1cc2ccccc2s1	ZINC000386807858	368024325	/nfs/dbraw/zinc/02/43/25/368024325.db2.gz	RGSDBJUVDCLNSZ-GFCCVEGCSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=C(C)CC[NH2+][C@@H](C)c1cc2ccccc2s1	ZINC000386807859	368024205	/nfs/dbraw/zinc/02/42/05/368024205.db2.gz	RGSDBJUVDCLNSZ-LBPRGKRZSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=CC[C@H](CC)[NH2+][C@@H](CCC)c1ccsc1	ZINC000390746722	259399571	/nfs/dbraw/zinc/39/95/71/259399571.db2.gz	ANTVSPDFOTUUJK-KBPBESRZSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](CCC)c1ccsc1	ZINC000390746723	259399566	/nfs/dbraw/zinc/39/95/66/259399566.db2.gz	ANTVSPDFOTUUJK-KGLIPLIRSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CC[C@H](CC)[NH2+][C@H](CCC)c1ccsc1	ZINC000390746725	259399270	/nfs/dbraw/zinc/39/92/70/259399270.db2.gz	ANTVSPDFOTUUJK-UONOGXRCSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CC[C@@H](CC)[NH2+][C@H](CCC)c1ccsc1	ZINC000390746726	259399486	/nfs/dbraw/zinc/39/94/86/259399486.db2.gz	ANTVSPDFOTUUJK-ZIAGYGMSSA-N	1	0	237.412	4.534	20	30		BJEDRO
C=CCCC[NH2+][C@H](C)c1cc2ccccc2s1	ZINC000393938768	386169037	/nfs/dbraw/zinc/16/90/37/386169037.db2.gz	VCDQEZAVYBFOTP-GFCCVEGCSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=CCCC[NH2+][C@@H](C)c1cc2ccccc2s1	ZINC000393938770	386168530	/nfs/dbraw/zinc/16/85/30/386168530.db2.gz	VCDQEZAVYBFOTP-LBPRGKRZSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=CCC[C@H](CC)[NH2+][C@@H](c1cccs1)C1CC1	ZINC000461803403	259505241	/nfs/dbraw/zinc/50/52/41/259505241.db2.gz	PRZYSNROZNWQSQ-DZGCQCFKSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CCC[C@@H](CC)[NH2+][C@H](c1cccs1)C1CC1	ZINC000461803404	388262058	/nfs/dbraw/zinc/26/20/58/388262058.db2.gz	PRZYSNROZNWQSQ-HIFRSBDPSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CCC[C@@H](CC)[NH2+][C@@H](c1cccs1)C1CC1	ZINC000461803405	388262493	/nfs/dbraw/zinc/26/24/93/388262493.db2.gz	PRZYSNROZNWQSQ-UKRRQHHQSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CCC[C@H](CC)[NH2+][C@H](c1cccs1)C1CC1	ZINC000461803406	398006296	/nfs/dbraw/zinc/00/62/96/398006296.db2.gz	PRZYSNROZNWQSQ-ZFWWWQNUSA-N	1	0	249.423	4.534	20	30		BJEDRO
C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000538097438	388678513	/nfs/dbraw/zinc/67/85/13/388678513.db2.gz	KAHJVMWNNTYODV-DZGCQCFKSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccsc1	ZINC000538097439	388677850	/nfs/dbraw/zinc/67/78/50/388677850.db2.gz	KAHJVMWNNTYODV-HIFRSBDPSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000538097440	388678113	/nfs/dbraw/zinc/67/81/13/388678113.db2.gz	KAHJVMWNNTYODV-UKRRQHHQSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@H](C)[N@@H+]1CCC[C@H]1c1ccsc1	ZINC000538097441	388677932	/nfs/dbraw/zinc/67/79/32/388677932.db2.gz	KAHJVMWNNTYODV-ZFWWWQNUSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@H](C)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000538097463	388678452	/nfs/dbraw/zinc/67/84/52/388678452.db2.gz	HJVYRNLYFRSTQV-KBPBESRZSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000538097464	388678529	/nfs/dbraw/zinc/67/85/29/388678529.db2.gz	HJVYRNLYFRSTQV-KGLIPLIRSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000538097466	388678641	/nfs/dbraw/zinc/67/86/41/388678641.db2.gz	HJVYRNLYFRSTQV-UONOGXRCSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000538097467	388677969	/nfs/dbraw/zinc/67/79/69/388677969.db2.gz	HJVYRNLYFRSTQV-ZIAGYGMSSA-N	1	0	249.423	4.630	20	30		BJEDRO
C=CCCC[NH2+][C@H](C)c1csc2ccccc12	ZINC000754740892	585290176	/nfs/dbraw/zinc/29/01/76/585290176.db2.gz	URXFTXXXCVXCPL-GFCCVEGCSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=CCCC[NH2+][C@@H](C)c1csc2ccccc12	ZINC000754740910	585290088	/nfs/dbraw/zinc/29/00/88/585290088.db2.gz	URXFTXXXCVXCPL-LBPRGKRZSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=C(C)CC[NH2+][C@H](C)c1csc2ccccc21	ZINC000775667230	585682852	/nfs/dbraw/zinc/68/28/52/585682852.db2.gz	XLZJVVNBENHNPE-GFCCVEGCSA-N	1	0	245.391	4.518	20	30		BJEDRO
C=C(C)CC[NH2+][C@@H](C)c1csc2ccccc21	ZINC000775667231	585682818	/nfs/dbraw/zinc/68/28/18/585682818.db2.gz	XLZJVVNBENHNPE-LBPRGKRZSA-N	1	0	245.391	4.518	20	30		BJEDRO