smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1	ZINC000218306390	343215830	/nfs/dbraw/zinc/21/58/30/343215830.db2.gz	ZTSREBCMQWCTRO-CHWSQXEVSA-N	1	0	209.333	2.047	50	70		BEIARO
Cc1ncn(CCC[NH+]2CCCCC2)c1C	ZINC000161097615	323009488	/nfs/dbraw/zinc/00/94/88/323009488.db2.gz	CXFJFFSWADFLAN-UHFFFAOYSA-N	1	0	221.348	2.376	50	70		BEIARO
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@H](C)[NH3+])C1	ZINC000161288719	179348694	/nfs/dbraw/zinc/34/86/94/179348694.db2.gz	ZYJWGKORXCVAQI-AVGNSLFASA-N	1	0	246.354	2.047	50	70		BEIARO
CC[C@H]([NH3+])C(=O)N1CCCc2ccc(C)cc21	ZINC000159749429	385728533	/nfs/dbraw/zinc/72/85/33/385728533.db2.gz	HFPWPEJIGOBOLD-LBPRGKRZSA-N	1	0	232.327	2.012	50	70		BEIARO
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)[NH3+])C1	ZINC000161289747	179330158	/nfs/dbraw/zinc/33/01/58/179330158.db2.gz	ZYJWGKORXCVAQI-JHJVBQTASA-N	1	0	246.354	2.047	50	70		BEIARO
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H](C)[NH3+])C1	ZINC000161289858	179349818	/nfs/dbraw/zinc/34/98/18/179349818.db2.gz	ZYJWGKORXCVAQI-UPJWGTAASA-N	1	0	246.354	2.047	50	70		BEIARO
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)C[NH3+])cc1	ZINC000161234676	388443974	/nfs/dbraw/zinc/44/39/74/388443974.db2.gz	BIRGLZHIHITJAN-SWLSCSKDSA-N	1	0	246.354	2.253	50	70		BEIARO
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@H](C)[NH3+])C1	ZINC000161288969	179349804	/nfs/dbraw/zinc/34/98/04/179349804.db2.gz	ZYJWGKORXCVAQI-AGIUHOORSA-N	1	0	246.354	2.047	50	70		BEIARO
COC(C[N@@H+]1CCC[C@H]1CC(C)C)OC	ZINC000160756128	358433343	/nfs/dbraw/zinc/43/33/43/358433343.db2.gz	JRPBZAHUZMDSMV-NSHDSACASA-N	1	0	215.337	2.116	50	70		BEIARO
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCc1ccccc1)C2	ZINC000217215943	183213363	/nfs/dbraw/zinc/21/33/63/183213363.db2.gz	MNSAONVBUPKIOD-ZSHCYNCHSA-N	1	0	245.366	2.322	50	70		BEIARO
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)C[NH3+])cc1	ZINC000161234442	388442962	/nfs/dbraw/zinc/44/29/62/388442962.db2.gz	BIRGLZHIHITJAN-IUODEOHRSA-N	1	0	246.354	2.253	50	70		BEIARO
Cc1ccc(C[C@H](C)N(C)C(=O)CCC[NH3+])cc1	ZINC000161157727	178651794	/nfs/dbraw/zinc/65/17/94/178651794.db2.gz	YAZYGHJUFURUOQ-ZDUSSCGKSA-N	1	0	248.370	2.123	50	70		BEIARO
CC(=O)Nc1ccc2c(c1)CN1CCCC1=[NH+]2	ZINC000217876309	188179421	/nfs/dbraw/zinc/17/94/21/188179421.db2.gz	UCZBCDAAJYWAIS-UHFFFAOYSA-N	1	0	229.283	2.284	50	70	biogenic	BEIARO
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C[NH3+])cc1	ZINC000161234319	388443062	/nfs/dbraw/zinc/44/30/62/388443062.db2.gz	BIRGLZHIHITJAN-DOMZBBRYSA-N	1	0	246.354	2.253	50	70		BEIARO
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C[NH3+])cc1	ZINC000161234568	388444178	/nfs/dbraw/zinc/44/41/78/388444178.db2.gz	BIRGLZHIHITJAN-WFASDCNBSA-N	1	0	246.354	2.253	50	70		BEIARO
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H](C)[NH3+])C1	ZINC000161288571	179332291	/nfs/dbraw/zinc/33/22/91/179332291.db2.gz	ZYJWGKORXCVAQI-RWMBFGLXSA-N	1	0	246.354	2.047	50	70		BEIARO
Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C1	ZINC000160215841	179333238	/nfs/dbraw/zinc/33/32/38/179333238.db2.gz	CYNAYGVNCHCDDS-CHWSQXEVSA-N	1	0	246.354	2.048	50	70		BEIARO
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H](C)[NH3+])C1	ZINC000161288851	179330313	/nfs/dbraw/zinc/33/03/13/179330313.db2.gz	ZYJWGKORXCVAQI-FRRDWIJNSA-N	1	0	246.354	2.047	50	70		BEIARO
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)[NH3+])C1	ZINC000161289505	179331992	/nfs/dbraw/zinc/33/19/92/179331992.db2.gz	ZYJWGKORXCVAQI-YNEHKIRRSA-N	1	0	246.354	2.047	50	70		BEIARO
Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C1	ZINC000160215710	179316202	/nfs/dbraw/zinc/31/62/02/179316202.db2.gz	CYNAYGVNCHCDDS-QWHCGFSZSA-N	1	0	246.354	2.048	50	70		BEIARO
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H](C)[NH3+])C1	ZINC000161289617	179349781	/nfs/dbraw/zinc/34/97/81/179349781.db2.gz	ZYJWGKORXCVAQI-XQQFMLRXSA-N	1	0	246.354	2.047	50	70		BEIARO
COC(C[N@@H+]1CCC[C@@H]1CC(C)C)OC	ZINC000160756249	358432834	/nfs/dbraw/zinc/43/28/34/358432834.db2.gz	JRPBZAHUZMDSMV-LLVKDONJSA-N	1	0	215.337	2.116	50	70		BEIARO
Cc1ccc(C[C@@H](C)N(C)C(=O)CCC[NH3+])cc1	ZINC000161157589	388676652	/nfs/dbraw/zinc/67/66/52/388676652.db2.gz	YAZYGHJUFURUOQ-CYBMUJFWSA-N	1	0	248.370	2.123	50	70		BEIARO