smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(C)c3[nH+]c3c(C(=O)NCC[NH+](C)C)cccc23)c1	ZINC000027525077	561865898	/nfs/dbraw/zinc/86/58/98/561865898.db2.gz	ZLVUYAVWCQRVCC-UHFFFAOYSA-N	2	1	515.614	4.792	1	10		KJCFMP
Cc1ccccc1[C@@H]1C[N@@H+](CCCc2cn(CCC[NH+]3CCN(c4ccccc4O)CC3)nn2)CCc2cc(O)c(O)cc21	ZINC000049708636	562670986	/nfs/dbraw/zinc/67/09/86/562670986.db2.gz	OMRHDIQWWVVEPC-HKBQPEDESA-N	2	1	596.776	4.538	1	10		KJCFMP
Cc1ccccc1[C@H]1C[N@@H+](CCCc2cn(CCC[NH+]3CCN(c4ccccc4O)CC3)nn2)CCc2cc(O)c(O)cc21	ZINC000049708639	562670995	/nfs/dbraw/zinc/67/09/95/562670995.db2.gz	OMRHDIQWWVVEPC-WJOKGBTCSA-N	2	1	596.776	4.538	1	10		KJCFMP
COc1ccccc1N1CC[NH+](CCCc2cn(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709759	562671400	/nfs/dbraw/zinc/67/14/00/562671400.db2.gz	ACWOUFNDQFUXQN-YTTGMZPUSA-N	2	1	610.803	4.841	1	10		KJCFMP
COc1ccccc1N1CC[NH+](CCCc2cn(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709766	562671433	/nfs/dbraw/zinc/67/14/33/562671433.db2.gz	ACWOUFNDQFUXQN-JGCGQSQUSA-N	2	1	610.803	4.841	1	10		KJCFMP
COc1ccccc1N1CC[NH+](CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709929	562671469	/nfs/dbraw/zinc/67/14/69/562671469.db2.gz	MPLKOFSZQUCZEC-YTTGMZPUSA-N	2	1	610.803	4.841	1	10		KJCFMP
COc1ccccc1N1CC[NH+](CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709935	562671464	/nfs/dbraw/zinc/67/14/64/562671464.db2.gz	MPLKOFSZQUCZEC-JGCGQSQUSA-N	2	1	610.803	4.841	1	10		KJCFMP
COc1ccccc1N1CC[NH+](CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744843	562673541	/nfs/dbraw/zinc/67/35/41/562673541.db2.gz	PSLDCUMPPHBRTH-YTTGMZPUSA-N	2	1	610.803	4.841	1	10		KJCFMP
COc1ccccc1N1CC[NH+](CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744846	562673526	/nfs/dbraw/zinc/67/35/26/562673526.db2.gz	PSLDCUMPPHBRTH-JGCGQSQUSA-N	2	1	610.803	4.841	1	10		KJCFMP
CC[NH2+][C@@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592596	291863962	/nfs/dbraw/zinc/86/39/62/291863962.db2.gz	NIWLAFNUDPQSNU-BCXUFODISA-N	2	1	714.904	4.544	1	10	biogenic,in-vitro	KJCFMP
CCC[NH+](CCC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCN(C)CC3)cc2)ccc1O	ZINC000095587785	562774407	/nfs/dbraw/zinc/77/44/07/562774407.db2.gz	MIRXJTKGBUPTME-XBASIVPDSA-N	2	1	615.863	4.819	1	10		KJCFMP
CCC[NH+](CCC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCN(C)CC3)cc2)ccc1O	ZINC000095587786	562774417	/nfs/dbraw/zinc/77/44/17/562774417.db2.gz	MIRXJTKGBUPTME-HZEQOGGFSA-N	2	1	615.863	4.819	1	10		KJCFMP
CC[C@@]12CC[C@@H]3N(C)c4ccc([C@@H]5[C@H]6O[C@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8c(cc(O)c(OC)c8OC)[C@@]78CC[N@H+]5[C@H]86)cc4[C@@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42	ZINC000096921467	562801447	/nfs/dbraw/zinc/80/14/47/562801447.db2.gz	AXBZVPIBJWOFHO-XMONSFOZSA-N	2	1	736.910	4.998	1	10		KJCFMP
CC[C@@]12CC[C@@H]3N(C)c4ccc([C@@H]5[C@H]6O[C@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8c(cc(O)c(OC)c8OC)[C@@]78CC[N@@H+]5[C@H]86)cc4[C@@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42	ZINC000096921467	562801446	/nfs/dbraw/zinc/80/14/46/562801446.db2.gz	AXBZVPIBJWOFHO-XMONSFOZSA-N	2	1	736.910	4.998	1	10		KJCFMP
CC[C@@]12CC[C@@H]3N(C)c4ccc([C@@H]5[C@H]6O[C@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8c(cc(O)c(OC)c8OC)[C@@]78CC[NH+]5[C@H]86)cc4[C@@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42	ZINC000096921467	562801445	/nfs/dbraw/zinc/80/14/45/562801445.db2.gz	AXBZVPIBJWOFHO-XMONSFOZSA-N	2	1	736.910	4.998	1	10		KJCFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[N@H+]6[C@H]%107)[C@H](C(=O)OC)C8)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854752	/nfs/dbraw/zinc/85/47/52/562854752.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	2	1	702.852	4.899	1	10		KJCFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[N@@H+]6[C@H]%107)[C@H](C(=O)OC)C8)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854751	/nfs/dbraw/zinc/85/47/51/562854751.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	2	1	702.852	4.899	1	10		KJCFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[NH+]6[C@H]%107)[C@H](C(=O)OC)C8)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854750	/nfs/dbraw/zinc/85/47/50/562854750.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	2	1	702.852	4.899	1	10		KJCFMP
CN1C=CC(=C2C3=[NH+]C(=C(c4cc[n+](C)cc4)C4=NC(=C(c5cc[n+](C)cc5)C5=NC(=C(c6cc[n+](C)cc6)[C@H]6C=C[C@H]2[NH2+]6)C=C5)C=C4)C=C3)C=C1	ZINC000377843308	562896325	/nfs/dbraw/zinc/89/63/25/562896325.db2.gz	FYIWTHFYBPAMML-VLZNPVHKSA-N	5	1	679.852	4.906	1	10		KJCFMP
CCc1[nH+]c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1N(C)Cc1ccc(N(C)C)cc1	ZINC000061905275	562703016	/nfs/dbraw/zinc/70/30/16/562703016.db2.gz	PQGGODMCIZLLSP-UHFFFAOYSA-N	2	1	524.713	4.994	3	10		KJCFMP