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+](CCCC)(CCCC)Cc1ccc(C(=O)c2ccccc2)cc1	ZINC000039184499	717126710	/nfs/dbraw/zinc/12/67/10/717126710.db2.gz	VBRCEONPZGNDDE-UHFFFAOYSA-N	1	0	380.596	6.635	10	5		GKBERO
CCCC[C@@H](CC)C[N+](CC)(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC	ZINC000033637622	717121360	/nfs/dbraw/zinc/12/13/60/717121360.db2.gz	QQLSRNSHHAHJMZ-KKUQBAQOSA-N	1	0	382.741	8.472	10	5		GKBERO
CC[N+](CCC(=O)c1c[nH]c2ccccc12)(Cc1ccccc1)Cc1ccccc1	ZINC000690395193	717188401	/nfs/dbraw/zinc/18/84/01/717188401.db2.gz	CUAYWZGLGUYLFL-UHFFFAOYSA-O	1	0	397.542	5.978	10	5		GKBERO
CCCCc1ccc(C[N@+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2ccccc2)C3)cc1	ZINC000725443829	717188607	/nfs/dbraw/zinc/18/86/07/717188607.db2.gz	DQPJDEJVHUURLQ-XAOWJVOESA-N	1	0	392.563	5.526	10	5		GKBERO
CCCCc1ccc(C[N@@+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)c2ccccc2)C3)cc1	ZINC000725443826	717188948	/nfs/dbraw/zinc/18/89/48/717188948.db2.gz	DQPJDEJVHUURLQ-GSWVMBINSA-N	1	0	392.563	5.526	10	5		GKBERO
CC[n+]1ccc(C=Cc2cc(C)n(-c3ccccc3)c2)c2ccc3ccccc3c21	ZINC000003147451	570330867	/nfs/dbraw/zinc/33/08/67/570330867.db2.gz	QEHJXFOJBKHXML-UHFFFAOYSA-N	1	0	389.522	6.570	10	5		GKBERO
CCCCc1ccc(C[N@@+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2ccccc2)C3)cc1	ZINC000725443827	717188716	/nfs/dbraw/zinc/18/87/16/717188716.db2.gz	DQPJDEJVHUURLQ-HPHCVZRRSA-N	1	0	392.563	5.526	10	5		GKBERO
c1ccc(C[N+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1	ZINC000114525112	717149626	/nfs/dbraw/zinc/14/96/26/717149626.db2.gz	OSWMMVUHYHQYCV-UHFFFAOYSA-N	1	0	378.539	6.604	10	5		GKBERO
CCCCCC[C@H](C)Cc1ccccc1OCC[N+](C)(C)Cc1ccccc1	ZINC000033606178	717121652	/nfs/dbraw/zinc/12/16/52/717121652.db2.gz	DWWGGHZZJWKBED-QHCPKHFHSA-N	1	0	382.612	6.491	10	5		GKBERO
C[N@+]1(Cc2cccs2)CCC[C@@H]1C(O)(Cc1ccccc1)Cc1ccccc1	ZINC000255994966	717173400	/nfs/dbraw/zinc/17/34/00/717173400.db2.gz	PNYXYNWNYPRYSM-AOYPEHQESA-N	1	0	392.588	5.074	10	5		GKBERO
CCCC[C@@H](CC)C[N+](CC)(C[C@H](CC)CCCC)C[C@H](CC)CCCC	ZINC000256089506	717175963	/nfs/dbraw/zinc/17/59/63/717175963.db2.gz	QQLSRNSHHAHJMZ-TWJOJJKGSA-N	1	0	382.741	8.472	10	5		GKBERO
CCOC(=O)c1cc2c3ccccc3c3cccc4c5ccccc5c(c1)[n+]2c34	ZINC000005333914	204125537	/nfs/dbraw/zinc/12/55/37/204125537.db2.gz	UTNPDLFJZYBAPN-UHFFFAOYSA-N	1	0	376.435	5.653	10	5		GKBERO
CN(C)c1ccc(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)cc1	ZINC000005318153	204125732	/nfs/dbraw/zinc/12/57/32/204125732.db2.gz	HVYCKQDPTBNJBA-UHFFFAOYSA-N	1	0	375.495	6.003	10	5		GKBERO
C[N+](C)(Cc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Br)cc1	ZINC000038972771	717126772	/nfs/dbraw/zinc/12/67/72/717126772.db2.gz	IJSPDBKXDAKECL-UHFFFAOYSA-N	1	0	395.320	5.447	10	5		GKBERO
CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C	ZINC000005955187	717102887	/nfs/dbraw/zinc/10/28/87/717102887.db2.gz	PDPQOUABMCNPBG-UHFFFAOYSA-O	1	0	397.712	6.706	10	5		GKBERO
CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)C	ZINC000104853817	717147689	/nfs/dbraw/zinc/14/76/89/717147689.db2.gz	NYGFQRKIKKRNLC-MEWQITQSSA-O	1	0	397.668	5.207	10	5		GKBERO
C[N@+]1(Cc2cccs2)CCC[C@H]1C(O)(Cc1ccccc1)Cc1ccccc1	ZINC000255994967	717173770	/nfs/dbraw/zinc/17/37/70/717173770.db2.gz	PNYXYNWNYPRYSM-AZGAKELHSA-N	1	0	392.588	5.074	10	5		GKBERO
CCCCCC[C@@H](C)Cc1ccccc1OCC[N+](C)(C)Cc1ccccc1	ZINC000033606175	717121677	/nfs/dbraw/zinc/12/16/77/717121677.db2.gz	DWWGGHZZJWKBED-HSZRJFAPSA-N	1	0	382.612	6.491	10	5		GKBERO
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)C	ZINC000084403514	205394379	/nfs/dbraw/zinc/39/43/79/205394379.db2.gz	NYGFQRKIKKRNLC-MGYADMTCSA-O	1	0	397.668	5.207	10	5		GKBERO
CCCC[C@@H](CC)C[N+](CC)(C[C@H](CC)CCCC)C[C@@H](CC)CCCC	ZINC000033637626	717121462	/nfs/dbraw/zinc/12/14/62/717121462.db2.gz	QQLSRNSHHAHJMZ-CYXNTTPDSA-N	1	0	382.741	8.472	10	5		GKBERO
CCCC[C@H](CC)C[N+](CC)(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC	ZINC000033637624	717121468	/nfs/dbraw/zinc/12/14/68/717121468.db2.gz	QQLSRNSHHAHJMZ-GSDHBNRESA-N	1	0	382.741	8.472	10	5		GKBERO
C[N@@+]1(Cc2cccs2)CCC[C@H]1C(O)(Cc1ccccc1)Cc1ccccc1	ZINC000255994965	717173538	/nfs/dbraw/zinc/17/35/38/717173538.db2.gz	PNYXYNWNYPRYSM-AHWVRZQESA-N	1	0	392.588	5.074	10	5		GKBERO
C[N@@+]1(Cc2cccs2)CCC[C@@H]1C(O)(Cc1ccccc1)Cc1ccccc1	ZINC000255994968	717173652	/nfs/dbraw/zinc/17/36/52/717173652.db2.gz	PNYXYNWNYPRYSM-RSXGOPAZSA-N	1	0	392.588	5.074	10	5		GKBERO
CCCCc1ccc(C[N@+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)c2ccccc2)C3)cc1	ZINC000725443828	717188861	/nfs/dbraw/zinc/18/88/61/717188861.db2.gz	DQPJDEJVHUURLQ-PLNQYMIFSA-N	1	0	392.563	5.526	10	5		GKBERO
Cc1ccc(C[N+]2(C[C@H](O)COc3c(C)cc(C)cc3C)CCCCCC2)cc1	ZINC000256029582	717174614	/nfs/dbraw/zinc/17/46/14/717174614.db2.gz	AEEJUJGKBGGYES-VWLOTQADSA-N	1	0	396.595	5.251	10	5		GKBERO
Cc1ccc(C[N+]2(C[C@@H](O)COc3c(C)cc(C)cc3C)CCCCCC2)cc1	ZINC000256029581	717174635	/nfs/dbraw/zinc/17/46/35/717174635.db2.gz	AEEJUJGKBGGYES-RUZDIDTESA-N	1	0	396.595	5.251	10	5		GKBERO