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[N+](C)(C)CCCC(=O)[O-]	169309004	166222092	/nfs/dbraw/zinc/22/20/92/166222092.db2.gz	HJFPKBPLSHSOES-UHFFFAOYSA-O	0	0	158.221	1.071	1	5		ADBFRN
CCCC[N+](C)(C)CCCC(=O)[O-]	115255621	166930873	/nfs/dbraw/zinc/93/08/73/166930873.db2.gz	KWHJROWADMZWFK-UHFFFAOYSA-O	0	0	188.291	1.728	1	5		ADBFRN
CCC[N+](C)(C)CCCC(=O)[O-]	169308696	167096457	/nfs/dbraw/zinc/09/64/57/167096457.db2.gz	HGTURUMGCQNQGE-UHFFFAOYSA-O	0	0	174.264	1.338	1	5		ADBFRN
CN1Cc2cc([N+](=O)[O-])ccc2N1	27869749	167945340	/nfs/dbraw/zinc/94/53/40/167945340.db2.gz	PLZROKXKYVBPHD-UHFFFAOYSA-N	0	0	179.179	1.367	1	5		ADBFRN
C[N+](C)(C)C[C@H](CC(=O)[O-])C1CC1	6482977	168691954	/nfs/dbraw/zinc/69/19/54/168691954.db2.gz	OPAJNXGNDLFPLS-VIFPVBQESA-O	0	0	186.275	1.194	1	5		ADBFRN
C[N+](C)(C)CCCCCCC(=O)[O-]	84669167	168692057	/nfs/dbraw/zinc/69/20/57/168692057.db2.gz	JSDADMHUMPHJHI-UHFFFAOYSA-O	0	0	188.291	1.728	1	5		ADBFRN
O=C1N/C(=C\[N+](=O)[O-])c2ccccc21	5808633	169383773	/nfs/dbraw/zinc/38/37/73/169383773.db2.gz	QULTWTXKICJKPZ-YVMONPNESA-N	0	0	190.158	1.005	1	5		ADBFRN
C[N+](C)(C)[C@@H]1CCCC[C@H]1C(=O)[O-]	27999384	171046544	/nfs/dbraw/zinc/04/65/44/171046544.db2.gz	QVHGHNUSUKFRQM-RKDXNWHRSA-O	0	0	186.275	1.336	1	5		ADBFRN
C[N+]1(CCCC(=O)[O-])CCCC1	98209032	171142986	/nfs/dbraw/zinc/14/29/86/171142986.db2.gz	MXRVDXQFAGJLAO-UHFFFAOYSA-O	0	0	172.248	1.092	1	5	in-vitro	ADBFRN
C[N+](C)(C)[C@H]1CCC[C@H](C(=O)[O-])C1	169309010	171165300	/nfs/dbraw/zinc/16/53/00/171165300.db2.gz	VGCWWDJKXVOJBP-IUCAKERBSA-O	0	0	186.275	1.336	1	5		ADBFRN
C[N+](C)(CCCC(=O)[O-])CC1CC1	169308691	171165376	/nfs/dbraw/zinc/16/53/76/171165376.db2.gz	ACVMPLVKOIRTLB-UHFFFAOYSA-O	0	0	186.275	1.338	1	5		ADBFRN
C[N+](C)(C)[C@@H]1CCC[C@@H](C(=O)[O-])C1	169309006	171165520	/nfs/dbraw/zinc/16/55/20/171165520.db2.gz	VGCWWDJKXVOJBP-RKDXNWHRSA-O	0	0	186.275	1.336	1	5		ADBFRN
C[N+](C)(C)[C@@H]1CCC[C@H](C(=O)[O-])C1	169309008	171165528	/nfs/dbraw/zinc/16/55/28/171165528.db2.gz	VGCWWDJKXVOJBP-DTWKUNHWSA-O	0	0	186.275	1.336	1	5		ADBFRN
C[N+](C)(C)[C@H]1CCC[C@@H](C(=O)[O-])C1	169309007	171165602	/nfs/dbraw/zinc/16/56/02/171165602.db2.gz	VGCWWDJKXVOJBP-BDAKNGLRSA-O	0	0	186.275	1.336	1	5		ADBFRN
C[N+](C)(CCCC(=O)[O-])C1CCC1	169308688	171165613	/nfs/dbraw/zinc/16/56/13/171165613.db2.gz	MJKCIFWVKRGQDG-UHFFFAOYSA-O	0	0	186.275	1.480	1	5		ADBFRN
C[N+](C)(CCCC(=O)[O-])C1CC1	169308687	171165630	/nfs/dbraw/zinc/16/56/30/171165630.db2.gz	NURRUWKKFVPFME-UHFFFAOYSA-O	0	0	172.248	1.090	1	5		ADBFRN
[O-][N@+]12CCCC[C@@H]1CCC[C@H]2CO	253982905	171219597	/nfs/dbraw/zinc/21/95/97/171219597.db2.gz	NANZFTBGLDRCFX-OUAUKWLOSA-N	0	0	185.267	1.398	3	5	in-vitro	ADBFRN
[O-][N@+]12CCCC[C@H]1CCC[C@H]2CO	253982901	171219706	/nfs/dbraw/zinc/21/97/06/171219706.db2.gz	NANZFTBGLDRCFX-GARJFASQSA-N	0	0	185.267	1.398	3	5	in-vitro	ADBFRN
[O-][N@+]12CCCC[C@H]1CCC[C@@H]2CO	253982904	171219896	/nfs/dbraw/zinc/21/98/96/171219896.db2.gz	NANZFTBGLDRCFX-HBNTYKKESA-N	0	0	185.267	1.398	3	5	in-vitro	ADBFRN
[O-][N@+]12CCCC[C@@H]1CCC[C@@H]2CO	253982903	171219936	/nfs/dbraw/zinc/21/99/36/171219936.db2.gz	NANZFTBGLDRCFX-GMTAPVOTSA-N	0	0	185.267	1.398	3	5	in-vitro	ADBFRN
C[N+](C)(C)C[C@@H](CC(=O)[O-])C1CC1	1629069	717088651	/nfs/dbraw/zinc/08/86/51/717088651.db2.gz	OPAJNXGNDLFPLS-SECBINFHSA-O	0	0	186.275	1.194	1	5		ADBFRN
[O-][N+]12CCCC[C@@H]1[C@@H](CO)CCC2	15151892	717111100	/nfs/dbraw/zinc/11/11/00/717111100.db2.gz	DPDAZDMDSXQXJW-DIOIDXFWSA-N	0	0	185.267	1.256	1	5		ADBFRN
CC[N+](C)(CC)CCCCC(=O)[O-]	84385817	717135704	/nfs/dbraw/zinc/13/57/04/717135704.db2.gz	QKYJVVXFJOLPPH-UHFFFAOYSA-O	0	0	188.291	1.728	1	5		ADBFRN
CC[N+](C)(CC)CCCC(=O)[O-]	88246511	717137783	/nfs/dbraw/zinc/13/77/83/717137783.db2.gz	JVRBBPXITQNGAX-UHFFFAOYSA-O	0	0	174.264	1.338	1	5		ADBFRN
CC(C)[N+](C)(C)CCCC(=O)[O-]	169308699	717155352	/nfs/dbraw/zinc/15/53/52/717155352.db2.gz	DQMZLUQYQBFKMG-UHFFFAOYSA-O	0	0	174.264	1.336	1	5		ADBFRN
C[C@@H]1C[N+](C)([O-])C[C@]2(O)[C@@H](C)CC[C@H]12	238765555	717163073	/nfs/dbraw/zinc/16/30/73/717163073.db2.gz	WNNYIIINIZJRMW-OGZKGVCFSA-N	0	0	199.294	1.358	1	5		ADBFRN
C[N+](C)([O-])CCc1ccc(O)cc1	238780963	717163693	/nfs/dbraw/zinc/16/36/93/717163693.db2.gz	ISGYPCLZCYVZEG-UHFFFAOYSA-N	0	0	181.235	1.509	1	5		ADBFRN