smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2(C)CC[C@H](O)[C@@H]12)[C@@H](C)O	ZINC000004073733	181069457	/nfs/dbraw/zinc/06/94/57/181069457.db2.gz	RQCPSSAEPWERKH-MCAMCBDESA-N	1	0	314.402	-0.183	40	5		DBBBRO
CC[N+](C)(C)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000001652982	374241042	/nfs/dbraw/zinc/24/10/42/374241042.db2.gz	MWYKDTSPJPDYEI-UHFFFAOYSA-N	1	0	310.378	-0.554	40	5		DBBBRO
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@H]12)[C@@H](C)O	ZINC000005368484	181235247	/nfs/dbraw/zinc/23/52/47/181235247.db2.gz	RQCPSSAEPWERKH-XOONIPECSA-N	1	0	314.402	-0.183	40	5		DBBBRO
CC[N+](C)(CC)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000001652989	180884268	/nfs/dbraw/zinc/88/42/68/180884268.db2.gz	JKYHMOFIAWKLQW-UHFFFAOYSA-N	1	0	324.405	-0.164	40	5		DBBBRO
NC(=[NH2+])NC[C@@H](C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-])[N+](=O)[O-]	ZINC000096316334	295006408	/nfs/dbraw/zinc/00/64/08/295006408.db2.gz	BYWDHWRLYVYSFJ-MNOVXSKESA-N	1	0	309.326	-0.252	40	5	biogenic,in-vitro	DBBBRO
NC(=[NH2+])NC[C@H](C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-])[N+](=O)[O-]	ZINC000096316333	382609431	/nfs/dbraw/zinc/60/94/31/382609431.db2.gz	BYWDHWRLYVYSFJ-QWRGUYRKSA-N	1	0	309.326	-0.252	40	5	biogenic,in-vitro	DBBBRO
CC(C)[C@@](O)(C(=O)OCC1=CC[N@+]2(C)CC[C@H](O)[C@@H]12)[C@@H](C)O	ZINC000252462340	391967037	/nfs/dbraw/zinc/96/70/37/391967037.db2.gz	RQCPSSAEPWERKH-UQTKTIGESA-N	1	0	314.402	-0.183	40	5	biogenic	DBBBRO
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@H]12)[C@H](C)O	ZINC000005368488	181234953	/nfs/dbraw/zinc/23/49/53/181234953.db2.gz	RQCPSSAEPWERKH-QNBSSWPYSA-N	1	0	314.402	-0.183	40	5		DBBBRO
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@H]12)[C@H](C)O	ZINC000005368489	181235378	/nfs/dbraw/zinc/23/53/78/181235378.db2.gz	RQCPSSAEPWERKH-IZQLYZSVSA-N	1	0	314.402	-0.183	40	5		DBBBRO
CC(C)[C@@](O)(C(=O)OCC1=CC[N@@+]2(C)CC[C@H](O)[C@@H]12)[C@@H](C)O	ZINC000252462339	256611248	/nfs/dbraw/zinc/61/12/48/256611248.db2.gz	RQCPSSAEPWERKH-PTBVWIJOSA-N	1	0	314.402	-0.183	40	5	biogenic	DBBBRO
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@H]12)[C@@H](C)O	ZINC000005368485	181235190	/nfs/dbraw/zinc/23/51/90/181235190.db2.gz	RQCPSSAEPWERKH-LQLHWILNSA-N	1	0	314.402	-0.183	40	5		DBBBRO