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@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1O	ZINC000817966740	586855703	/nfs/dbraw/zinc/85/57/03/586855703.db2.gz	UVEFKXOOGTUENY-MNOVXSKESA-N	2	2	244.338	2.543	20	10		BFCDLP
CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1O	ZINC000020126917	590076467	/nfs/dbraw/zinc/07/64/67/590076467.db2.gz	HJPKAAPOXTWHLE-CQSZACIVSA-N	2	2	248.370	2.529	20	10		BFCDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1O	ZINC000248531676	359273572	/nfs/dbraw/zinc/27/35/72/359273572.db2.gz	PIZNCZPIFFVWHE-OLZOCXBDSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1O	ZINC000248531676	359273575	/nfs/dbraw/zinc/27/35/75/359273575.db2.gz	PIZNCZPIFFVWHE-OLZOCXBDSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1O	ZINC000817948531	586846872	/nfs/dbraw/zinc/84/68/72/586846872.db2.gz	BDNHWZZJFOYCFI-GXTWGEPZSA-N	2	2	248.370	2.575	20	10		BFCDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O	ZINC000019959998	342964965	/nfs/dbraw/zinc/96/49/65/342964965.db2.gz	PIZNCZPIFFVWHE-QWHCGFSZSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O	ZINC000019959998	342964967	/nfs/dbraw/zinc/96/49/67/342964967.db2.gz	PIZNCZPIFFVWHE-QWHCGFSZSA-N	2	2	248.370	2.527	20	10		BFCDLP
C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc([NH3+])cc1	ZINC000841040978	584117115	/nfs/dbraw/zinc/11/71/15/584117115.db2.gz	WPTVVRMDSSAQOY-WFASDCNBSA-N	2	2	247.386	2.992	20	10		BFCDLP
CC(C)(C)CC[C@@H]([NH3+])CNc1ccc([NH3+])cc1	ZINC000904354490	584870431	/nfs/dbraw/zinc/87/04/31/584870431.db2.gz	ZZAAPLWBKFZCKC-GFCCVEGCSA-N	2	2	235.375	2.834	20	10		BFCDLP
C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc([NH3+])cc1	ZINC000841040976	584117079	/nfs/dbraw/zinc/11/70/79/584117079.db2.gz	WPTVVRMDSSAQOY-IUODEOHRSA-N	2	2	247.386	2.992	20	10		BFCDLP
CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O	ZINC000863546060	589297639	/nfs/dbraw/zinc/29/76/39/589297639.db2.gz	IYZMQZMYWPUXLG-SCRDCRAPSA-N	2	2	248.370	2.573	20	10		BFCDLP
CC[N@H+](CC1CC[NH2+]CC1)c1ccc(OC)cc1	ZINC000294736207	385889777	/nfs/dbraw/zinc/88/97/77/385889777.db2.gz	JKIVRVZEDCJOCO-UHFFFAOYSA-N	2	2	248.370	2.521	20	10		BFCDLP
CC[N@@H+](CC1CC[NH2+]CC1)c1ccc(OC)cc1	ZINC000294736207	385889782	/nfs/dbraw/zinc/88/97/82/385889782.db2.gz	JKIVRVZEDCJOCO-UHFFFAOYSA-N	2	2	248.370	2.521	20	10		BFCDLP
C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2ccccc2c1O	ZINC000817970408	586857340	/nfs/dbraw/zinc/85/73/40/586857340.db2.gz	UVEFKXOOGTUENY-WDEREUQCSA-N	2	2	244.338	2.543	20	10		BFCDLP
[NH3+]c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1	ZINC000841040368	587938499	/nfs/dbraw/zinc/93/84/99/587938499.db2.gz	LCBUDYPZPJFKPR-QLFBSQMISA-N	2	2	245.370	2.601	20	10		BFCDLP
COc1ccc([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1	ZINC000300132144	592503199	/nfs/dbraw/zinc/50/31/99/592503199.db2.gz	CBRTZAJWHDHNDE-CHWSQXEVSA-N	2	2	248.370	2.520	20	10		BFCDLP
COc1ccc([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1	ZINC000300132144	592503201	/nfs/dbraw/zinc/50/32/01/592503201.db2.gz	CBRTZAJWHDHNDE-CHWSQXEVSA-N	2	2	248.370	2.520	20	10		BFCDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O	ZINC000019960002	342964621	/nfs/dbraw/zinc/96/46/21/342964621.db2.gz	PIZNCZPIFFVWHE-STQMWFEESA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O	ZINC000019960002	342964622	/nfs/dbraw/zinc/96/46/22/342964622.db2.gz	PIZNCZPIFFVWHE-STQMWFEESA-N	2	2	248.370	2.527	20	10		BFCDLP
[NH3+]c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1	ZINC000841040371	587938728	/nfs/dbraw/zinc/93/87/28/587938728.db2.gz	LCBUDYPZPJFKPR-SOUVJXGZSA-N	2	2	245.370	2.601	20	10		BFCDLP
CC(C)(C)CC[C@H]([NH3+])CNc1ccc([NH3+])cc1	ZINC000904354491	584870518	/nfs/dbraw/zinc/87/05/18/584870518.db2.gz	ZZAAPLWBKFZCKC-LBPRGKRZSA-N	2	2	235.375	2.834	20	10		BFCDLP
CC[N@H+](CC[C@H]1CC[NH2+]C1)c1ccc(OC)cc1	ZINC000842471560	584897618	/nfs/dbraw/zinc/89/76/18/584897618.db2.gz	JBBYQHHKYMQDGX-CYBMUJFWSA-N	2	2	248.370	2.521	20	10		BFCDLP
CC[N@@H+](CC[C@H]1CC[NH2+]C1)c1ccc(OC)cc1	ZINC000842471560	584897620	/nfs/dbraw/zinc/89/76/20/584897620.db2.gz	JBBYQHHKYMQDGX-CYBMUJFWSA-N	2	2	248.370	2.521	20	10		BFCDLP
CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O	ZINC000863546056	589297672	/nfs/dbraw/zinc/29/76/72/589297672.db2.gz	IYZMQZMYWPUXLG-DYEKYZERSA-N	2	2	248.370	2.573	20	10		BFCDLP
C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc([NH3+])cc1	ZINC000841040975	584117077	/nfs/dbraw/zinc/11/70/77/584117077.db2.gz	WPTVVRMDSSAQOY-DOMZBBRYSA-N	2	2	247.386	2.992	20	10		BFCDLP
CCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000841044698	584121783	/nfs/dbraw/zinc/12/17/83/584121783.db2.gz	FGSVMXSHVULQGJ-WFASDCNBSA-N	2	2	249.402	2.531	20	10		BFCDLP
CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O	ZINC000863546055	589298177	/nfs/dbraw/zinc/29/81/77/589298177.db2.gz	IYZMQZMYWPUXLG-BZPMIXESSA-N	2	2	248.370	2.573	20	10		BFCDLP
CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1O	ZINC000020126918	590076704	/nfs/dbraw/zinc/07/67/04/590076704.db2.gz	HJPKAAPOXTWHLE-AWEZNQCLSA-N	2	2	248.370	2.529	20	10		BFCDLP
CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1O	ZINC000155313134	385385855	/nfs/dbraw/zinc/38/58/55/385385855.db2.gz	JTCYPLXLRKSVIZ-OCCSQVGLSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1O	ZINC000155313134	385385860	/nfs/dbraw/zinc/38/58/60/385385860.db2.gz	JTCYPLXLRKSVIZ-OCCSQVGLSA-N	2	2	248.370	2.527	20	10		BFCDLP
[NH3+]c1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1	ZINC000841040370	587938698	/nfs/dbraw/zinc/93/86/98/587938698.db2.gz	LCBUDYPZPJFKPR-RRFJBIMHSA-N	2	2	245.370	2.601	20	10		BFCDLP
CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O	ZINC000863546057	589297662	/nfs/dbraw/zinc/29/76/62/589297662.db2.gz	IYZMQZMYWPUXLG-OBJOEFQTSA-N	2	2	248.370	2.573	20	10		BFCDLP
CCOc1ccc([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1	ZINC000903439918	584763004	/nfs/dbraw/zinc/76/30/04/584763004.db2.gz	QDBJIIBSAHYJDR-OLZOCXBDSA-N	2	2	248.370	2.649	20	10		BFCDLP
CCOc1ccc([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1	ZINC000903439918	584763003	/nfs/dbraw/zinc/76/30/03/584763003.db2.gz	QDBJIIBSAHYJDR-OLZOCXBDSA-N	2	2	248.370	2.649	20	10		BFCDLP
CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1O	ZINC000817948534	586846945	/nfs/dbraw/zinc/84/69/45/586846945.db2.gz	BDNHWZZJFOYCFI-TZMCWYRMSA-N	2	2	248.370	2.575	20	10		BFCDLP
CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1O	ZINC000817948533	586847418	/nfs/dbraw/zinc/84/74/18/586847418.db2.gz	BDNHWZZJFOYCFI-OCCSQVGLSA-N	2	2	248.370	2.575	20	10		BFCDLP
CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1O	ZINC000155313228	346345614	/nfs/dbraw/zinc/34/56/14/346345614.db2.gz	JTCYPLXLRKSVIZ-TZMCWYRMSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1O	ZINC000155313228	346345617	/nfs/dbraw/zinc/34/56/17/346345617.db2.gz	JTCYPLXLRKSVIZ-TZMCWYRMSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1O	ZINC000155312936	385386083	/nfs/dbraw/zinc/38/60/83/385386083.db2.gz	JTCYPLXLRKSVIZ-JSGCOSHPSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1O	ZINC000155312936	385386085	/nfs/dbraw/zinc/38/60/85/385386085.db2.gz	JTCYPLXLRKSVIZ-JSGCOSHPSA-N	2	2	248.370	2.527	20	10		BFCDLP
C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc([NH3+])cc1	ZINC000841040977	584117221	/nfs/dbraw/zinc/11/72/21/584117221.db2.gz	WPTVVRMDSSAQOY-SWLSCSKDSA-N	2	2	247.386	2.992	20	10		BFCDLP
CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1O	ZINC000817948532	586847331	/nfs/dbraw/zinc/84/73/31/586847331.db2.gz	BDNHWZZJFOYCFI-JSGCOSHPSA-N	2	2	248.370	2.575	20	10		BFCDLP
C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2c1O	ZINC000817966739	586855304	/nfs/dbraw/zinc/85/53/04/586855304.db2.gz	UVEFKXOOGTUENY-GHMZBOCLSA-N	2	2	244.338	2.543	20	10		BFCDLP
[NH3+]c1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1	ZINC000841040369	587938285	/nfs/dbraw/zinc/93/82/85/587938285.db2.gz	LCBUDYPZPJFKPR-RBSFLKMASA-N	2	2	245.370	2.601	20	10		BFCDLP
CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000841044690	587939246	/nfs/dbraw/zinc/93/92/46/587939246.db2.gz	FGSVMXSHVULQGJ-IUODEOHRSA-N	2	2	249.402	2.531	20	10		BFCDLP
COc1ccc([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1	ZINC000300132147	592503143	/nfs/dbraw/zinc/50/31/43/592503143.db2.gz	CBRTZAJWHDHNDE-OLZOCXBDSA-N	2	2	248.370	2.520	20	10		BFCDLP
COc1ccc([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1	ZINC000300132147	592503145	/nfs/dbraw/zinc/50/31/45/592503145.db2.gz	CBRTZAJWHDHNDE-OLZOCXBDSA-N	2	2	248.370	2.520	20	10		BFCDLP
CC[C@@H]1Cc2c(cccc2-c2[nH+]ccn2C)C[NH2+]1	ZINC000630052516	361921044	/nfs/dbraw/zinc/92/10/44/361921044.db2.gz	LOUTUCFGXRIHLI-GFCCVEGCSA-N	2	2	241.338	2.511	20	10		BFCDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O	ZINC000248531674	359273472	/nfs/dbraw/zinc/27/34/72/359273472.db2.gz	PIZNCZPIFFVWHE-CHWSQXEVSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O	ZINC000248531674	359273476	/nfs/dbraw/zinc/27/34/76/359273476.db2.gz	PIZNCZPIFFVWHE-CHWSQXEVSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[N@H+](CC[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1	ZINC000842471561	584897440	/nfs/dbraw/zinc/89/74/40/584897440.db2.gz	JBBYQHHKYMQDGX-ZDUSSCGKSA-N	2	2	248.370	2.521	20	10		BFCDLP
CC[N@@H+](CC[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1	ZINC000842471561	584897441	/nfs/dbraw/zinc/89/74/41/584897441.db2.gz	JBBYQHHKYMQDGX-ZDUSSCGKSA-N	2	2	248.370	2.521	20	10		BFCDLP
C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1O	ZINC000817970407	586857461	/nfs/dbraw/zinc/85/74/61/586857461.db2.gz	UVEFKXOOGTUENY-QWRGUYRKSA-N	2	2	244.338	2.543	20	10		BFCDLP
CC[C@H]1Cc2c(cccc2-c2[nH+]ccn2C)C[NH2+]1	ZINC000630052521	361920861	/nfs/dbraw/zinc/92/08/61/361920861.db2.gz	LOUTUCFGXRIHLI-LBPRGKRZSA-N	2	2	241.338	2.511	20	10		BFCDLP
CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1O	ZINC000155313036	385385641	/nfs/dbraw/zinc/38/56/41/385385641.db2.gz	JTCYPLXLRKSVIZ-GXTWGEPZSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1O	ZINC000155313036	385385650	/nfs/dbraw/zinc/38/56/50/385385650.db2.gz	JTCYPLXLRKSVIZ-GXTWGEPZSA-N	2	2	248.370	2.527	20	10		BFCDLP
CC(C)Oc1ccc([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1	ZINC000904347451	584868603	/nfs/dbraw/zinc/86/86/03/584868603.db2.gz	GIDCLOCGJDURIS-BETUJISGSA-N	2	2	248.370	2.647	20	10		BFCDLP
CC(C)Oc1ccc([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1	ZINC000904347451	584868604	/nfs/dbraw/zinc/86/86/04/584868604.db2.gz	GIDCLOCGJDURIS-BETUJISGSA-N	2	2	248.370	2.647	20	10		BFCDLP
[NH3+]c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1	ZINC000841040158	587938425	/nfs/dbraw/zinc/93/84/25/587938425.db2.gz	KNWGGLHQNRFSRA-UHFFFAOYSA-N	2	2	245.370	2.555	20	10		BFCDLP
CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)cc1	ZINC000903429269	584761623	/nfs/dbraw/zinc/76/16/23/584761623.db2.gz	CBNSAZKLJOBEPZ-OLZOCXBDSA-N	2	2	248.370	2.649	20	10		BFCDLP
CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)cc1	ZINC000903429269	584761624	/nfs/dbraw/zinc/76/16/24/584761624.db2.gz	CBNSAZKLJOBEPZ-OLZOCXBDSA-N	2	2	248.370	2.649	20	10		BFCDLP
CCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000841044684	587939187	/nfs/dbraw/zinc/93/91/87/587939187.db2.gz	FGSVMXSHVULQGJ-DOMZBBRYSA-N	2	2	249.402	2.531	20	10		BFCDLP
CCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000841044694	587939284	/nfs/dbraw/zinc/93/92/84/587939284.db2.gz	FGSVMXSHVULQGJ-SWLSCSKDSA-N	2	2	249.402	2.531	20	10		BFCDLP