smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@@H+](CCC(=O)[O-])c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000001600576	571160546	/nfs/dbraw/zinc/16/05/46/571160546.db2.gz	YJLFPXQJCSLPSB-DHZHZOJOSA-N	0	2	374.484	5.486	50	10		FKCALN
CCCC[N@H+](CCC(=O)[O-])c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000001600576	571160541	/nfs/dbraw/zinc/16/05/41/571160541.db2.gz	YJLFPXQJCSLPSB-DHZHZOJOSA-N	0	2	374.484	5.486	50	10		FKCALN
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(Cl)c1Cl	ZINC000005618121	263342181	/nfs/dbraw/zinc/34/21/81/263342181.db2.gz	HYVULDYADKQFIG-XNTDXEJSSA-N	0	2	374.271	5.329	50	10		FKCALN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000006234059	571167718	/nfs/dbraw/zinc/16/77/18/571167718.db2.gz	FFHZIPQGPFKDSB-XNTDXEJSSA-N	0	2	360.244	5.020	50	10		FKCALN
O=C(CC(O)(c1ccccc1)c1ccccc1)c1sc2ccccc2c1O	ZINC000007078909	570659660	/nfs/dbraw/zinc/65/96/60/570659660.db2.gz	SOSPFDGAUFCBTI-UHFFFAOYSA-N	0	2	374.461	5.116	50	10		FKCALN
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cccc([N+](=O)[O-])c1O)N2	ZINC000013217220	211028818	/nfs/dbraw/zinc/02/88/18/211028818.db2.gz	MEEGICGIZJNXSX-LJQANCHMSA-N	0	2	370.449	5.399	50	10		FKCALN
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cccc([N+](=O)[O-])c1O)N2	ZINC000013217224	220060848	/nfs/dbraw/zinc/06/08/48/220060848.db2.gz	MEEGICGIZJNXSX-IBGZPJMESA-N	0	2	370.449	5.399	50	10		FKCALN
CCCC[N@@H+](CCC(=O)[O-])c1ccc(/C=C\c2ccnc3ccccc23)cc1	ZINC000017162416	571275272	/nfs/dbraw/zinc/27/52/72/571275272.db2.gz	YJLFPXQJCSLPSB-FLIBITNWSA-N	0	2	374.484	5.486	50	10		FKCALN
CCCC[N@H+](CCC(=O)[O-])c1ccc(/C=C\c2ccnc3ccccc23)cc1	ZINC000017162416	571275271	/nfs/dbraw/zinc/27/52/71/571275271.db2.gz	YJLFPXQJCSLPSB-FLIBITNWSA-N	0	2	374.484	5.486	50	10		FKCALN
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cc([N+](=O)[O-])ccc1O)N2	ZINC000019855028	211260215	/nfs/dbraw/zinc/26/02/15/211260215.db2.gz	MHRXHFLJSIDINX-LJQANCHMSA-N	0	2	370.449	5.399	50	10		FKCALN
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cc([N+](=O)[O-])ccc1O)N2	ZINC000019855030	220302233	/nfs/dbraw/zinc/30/22/33/220302233.db2.gz	MHRXHFLJSIDINX-IBGZPJMESA-N	0	2	370.449	5.399	50	10		FKCALN
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)ccc1O	ZINC000020110039	207725976	/nfs/dbraw/zinc/72/59/76/207725976.db2.gz	NSVOOKQOVSUPIS-YVHKJVDXSA-N	0	2	358.397	5.280	50	10		FKCALN
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)ccc1O	ZINC000020110040	211269092	/nfs/dbraw/zinc/26/90/92/211269092.db2.gz	NSVOOKQOVSUPIS-JKSBSHDWSA-N	0	2	358.397	5.280	50	10		FKCALN
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)ccc1O	ZINC000036046430	208142233	/nfs/dbraw/zinc/14/22/33/208142233.db2.gz	NSVOOKQOVSUPIS-JLHGSKIFSA-N	0	2	358.397	5.280	50	10		FKCALN
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)ccc1O	ZINC000036046431	571079565	/nfs/dbraw/zinc/07/95/65/571079565.db2.gz	NSVOOKQOVSUPIS-HOIFWPIMSA-N	0	2	358.397	5.280	50	10		FKCALN
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000095471550	571330635	/nfs/dbraw/zinc/33/06/35/571330635.db2.gz	DAVRMOZPAFIZEW-YBEGLDIGSA-N	0	2	374.271	5.329	50	10		FKCALN
Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccccc1Cl	ZINC000101114008	570816691	/nfs/dbraw/zinc/81/66/91/570816691.db2.gz	LOFCGPLVMBLORQ-GHRIWEEISA-N	0	2	361.832	5.212	50	10		FKCALN
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(Cl)c1Cl	ZINC000136402491	570652923	/nfs/dbraw/zinc/65/29/23/570652923.db2.gz	HYVULDYADKQFIG-GDNBJRDFSA-N	0	2	374.271	5.329	50	10		FKCALN
CC1=NN(c2cccc(Cl)c2)C(=O)C1=NNc1ccc(C(C)(C)C)cc1	ZINC000252428548	571317351	/nfs/dbraw/zinc/31/73/51/571317351.db2.gz	LQKDZERKNAAEFG-UHFFFAOYSA-N	0	2	368.868	6.253	50	10		FKCALN