smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c(cc3c4ccccc4ccc13)C[N+]1(C2)CCCCC1	ZINC000003205188	717095270	/nfs/dbraw/zinc/09/52/70/717095270.db2.gz	CQPOVJVHEPURII-UHFFFAOYSA-N	1	0	302.441	5.316	1	5		DKBFRO
CC[N+](CC)(CC)COc1ccc(/C=C/c2ccccc2)cc1	ZINC000004475267	181112008	/nfs/dbraw/zinc/11/20/08/181112008.db2.gz	QXMGSJSQHWXUQG-OUKQBFOZSA-N	1	0	310.461	5.070	1	5		DKBFRO
CC(C)(C)c1cc2cc3cc(C(C)(C)C)c(N)cc3[nH+]c2cc1N	ZINC000005314324	181229105	/nfs/dbraw/zinc/22/91/05/181229105.db2.gz	MJGGZONRLLIBJX-UHFFFAOYSA-N	1	0	321.468	5.147	1	5		DKBFRO
CC[N+](CC)(CC)COc1ccc(/C=C\c2ccccc2)cc1	ZINC000007997254	717106008	/nfs/dbraw/zinc/10/60/08/717106008.db2.gz	QXMGSJSQHWXUQG-SEYXRHQNSA-N	1	0	310.461	5.070	1	5		DKBFRO
C[N+]1(C)[C@@H](/C=C/c2ccccc2)CCC[C@H]1/C=C/c1ccccc1	ZINC000013671757	717109334	/nfs/dbraw/zinc/10/93/34/717109334.db2.gz	WQOPRBNLTAHLNU-BKJAFQMZSA-N	1	0	318.484	5.411	1	5		DKBFRO
C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@H]1/C=C/c1ccccc1	ZINC000013671758	181876161	/nfs/dbraw/zinc/87/61/61/181876161.db2.gz	WQOPRBNLTAHLNU-CHCWKLOASA-N	1	0	318.484	5.411	1	5		DKBFRO
C[N+]1(C)[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000013671760	717109199	/nfs/dbraw/zinc/10/91/99/717109199.db2.gz	JQDGHZVJQFDVDC-ZRZAMGCNSA-N	1	0	322.516	5.250	1	5		DKBFRO
C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000013671762	717109441	/nfs/dbraw/zinc/10/94/41/717109441.db2.gz	JQDGHZVJQFDVDC-GOTSBHOMSA-N	1	0	322.516	5.250	1	5		DKBFRO
CCC[C@@H](Cc1ccccc1)[N+](C)(C)CCCc1ccccc1	ZINC000013735992	717109315	/nfs/dbraw/zinc/10/93/15/717109315.db2.gz	JQLRJDMOWGOLOE-QFIPXVFZSA-N	1	0	310.505	5.107	1	5		DKBFRO
CCC[C@H](Cc1ccccc1)[N+](C)(C)CCCc1ccccc1	ZINC000013735995	717109485	/nfs/dbraw/zinc/10/94/85/717109485.db2.gz	JQLRJDMOWGOLOE-JOCHJYFZSA-N	1	0	310.505	5.107	1	5		DKBFRO
C[N@@H+]1CCCC[C@H]1/C=C/c1c2ccccc2cc2ccccc21	ZINC000028253813	182517747	/nfs/dbraw/zinc/51/77/47/182517747.db2.gz	HSNXYFHBWRGJNE-KQDNUWKFSA-N	1	0	301.433	5.491	1	5		DKBFRO
CC(C)(C)c1cc(Cl)c2c(c1)C[N+](C)(C)C1(CCCCC1)O2	ZINC000039318375	183016519	/nfs/dbraw/zinc/01/65/19/183016519.db2.gz	LKRGEYSUWSBRPB-UHFFFAOYSA-N	1	0	322.900	5.267	1	5		DKBFRO
CC[C@H](C[C@H](CC)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1	ZINC000040526186	183092773	/nfs/dbraw/zinc/09/27/73/183092773.db2.gz	PNGAAUYGDNJBAB-LEWJYISDSA-N	1	0	324.532	5.970	1	5		DKBFRO
CC[C@H](C[C@@H](CC)c1ccc(C[N+](C)(C)C)cc1)c1ccccc1	ZINC000040526188	183092894	/nfs/dbraw/zinc/09/28/94/183092894.db2.gz	PNGAAUYGDNJBAB-NHCUHLMSSA-N	1	0	324.532	5.970	1	5		DKBFRO
CC[C@@H](C[C@H](CC)c1ccc(C[N+](C)(C)C)cc1)c1ccccc1	ZINC000040526190	183092588	/nfs/dbraw/zinc/09/25/88/183092588.db2.gz	PNGAAUYGDNJBAB-SFTDATJTSA-N	1	0	324.532	5.970	1	5		DKBFRO
CC[C@H](C[C@H](CC)c1ccc(C[N+](C)(C)C)cc1)c1ccccc1	ZINC000040526192	183092592	/nfs/dbraw/zinc/09/25/92/183092592.db2.gz	PNGAAUYGDNJBAB-RTWAWAEBSA-N	1	0	324.532	5.970	1	5		DKBFRO
C[n+]1c2c3ccccc3[nH]c2c(Nc2ccccc2)c2ccccc21	ZINC000064560426	184299819	/nfs/dbraw/zinc/29/98/19/184299819.db2.gz	JDZIZNYWQVUZPS-UHFFFAOYSA-O	1	0	324.407	5.042	1	5		DKBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](C=C(c1ccccc1)c1ccccc1)C2	ZINC000103233976	717146681	/nfs/dbraw/zinc/14/66/81/717146681.db2.gz	CTONCXSGQXCJCF-FJPGZJACSA-N	1	0	318.484	5.136	1	5		DKBFRO