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(=N\[O-])c1ccc(F)c(F)c1	40448116	343218444	/nfs/dbraw/zinc/21/84/44/343218444.db2.gz	HDHBSDWCLCBNAK-FMIVXFBMSA-N	-1	1	185.173	2.553	50	30		AFEAMM
C/C(COc1ccc(Cl)cc1)=N\[O-]	6668519	166055520	/nfs/dbraw/zinc/05/55/20/166055520.db2.gz	XITXOEYZWKFBHF-YRNVUSSQSA-N	-1	1	199.637	2.569	50	30		AFEAMM
[O-]/N=C/c1cccc(Cl)c1Cl	118618	169313887	/nfs/dbraw/zinc/31/38/87/169313887.db2.gz	UDEADLUKAYYZNF-ONNFQVAWSA-N	-1	1	190.029	2.802	50	30	in-vitro	AFEAMM
[O-]/N=C/c1cc(Cl)ccc1Cl	2529972	169314398	/nfs/dbraw/zinc/31/43/98/169314398.db2.gz	PVWPZYDYIAOBOP-ONNFQVAWSA-N	-1	1	190.029	2.802	50	30		AFEAMM
[O-]/N=C/c1ccc(Cl)c(Cl)c1	95917822	169314544	/nfs/dbraw/zinc/31/45/44/169314544.db2.gz	ROBIUDOANJUDHD-ONNFQVAWSA-N	-1	1	190.029	2.802	50	30		AFEAMM
[O-]/N=C\c1cccc(Cl)c1Cl	100003938	169314896	/nfs/dbraw/zinc/31/48/96/169314896.db2.gz	UDEADLUKAYYZNF-WMZJFQQLSA-N	-1	1	190.029	2.802	50	30		AFEAMM
[O-]N=Cc1ccc(Cl)c(Cl)c1	252370120	169441325	/nfs/dbraw/zinc/44/13/25/169441325.db2.gz	ROBIUDOANJUDHD-UHFFFAOYSA-N	-1	1	190.029	2.802	50	30		AFEAMM
[O-]/N=C(/c1ccc(Cl)cc1)C1CC1	17322753	171031974	/nfs/dbraw/zinc/03/19/74/171031974.db2.gz	ZAWYKLRZLXIEGC-ZRDIBKRKSA-N	-1	1	195.649	2.928	50	30		AFEAMM
N#CC=C([O-])c1ccc(Cl)cc1F	19508207	171034899	/nfs/dbraw/zinc/03/48/99/171034899.db2.gz	WKLDNFFONJZRBF-UHFFFAOYSA-N	-1	1	197.596	2.575	50	30	in-vitro	AFEAMM
[N-]=[N+]=Nc1nc2ccccc2[n-]1	33373847	171050860	/nfs/dbraw/zinc/05/08/60/171050860.db2.gz	CFRSLTHRDZOACJ-UHFFFAOYSA-N	-1	1	159.152	2.505	50	30		AFEAMM
[O-]/N=C(\c1ccc(Cl)cc1)C1CC1	100467612	171144928	/nfs/dbraw/zinc/14/49/28/171144928.db2.gz	ZAWYKLRZLXIEGC-BENRWUELSA-N	-1	1	195.649	2.928	50	30		AFEAMM
O=C1C=Cc2cccc3c([O-])ccc1c23	3080757	171163586	/nfs/dbraw/zinc/16/35/86/171163586.db2.gz	BESDIAJTHBDPFY-UHFFFAOYSA-N	-1	1	196.205	2.755	50	30		AFEAMM
CCCCCCCC[P@](=O)([O-])O	2565967	342977344	/nfs/dbraw/zinc/97/73/44/342977344.db2.gz	NJGCRMAPOWGWMW-UHFFFAOYSA-N	-1	1	194.211	2.525	50	30		AFEAMM
Cc1ccc2c(c1)/C(=N/[O-])CCS2	12338644	343028242	/nfs/dbraw/zinc/02/82/42/343028242.db2.gz	CDDXVJKMORSSTJ-PKNBQFBNSA-N	-1	1	193.271	2.669	50	30		AFEAMM
CC[C@H](C)c1ccc(O)c(/C=N/[O-])c1	13120179	343033008	/nfs/dbraw/zinc/03/30/08/343033008.db2.gz	QQJYDMQRLRLPKP-OTIXFSKASA-N	-1	1	193.246	2.714	50	30		AFEAMM
CC/C(=N\[O-])c1ccc(Cl)cc1	57324261	343336783	/nfs/dbraw/zinc/33/67/83/343336783.db2.gz	JOHMPLNVDHNKFD-PKNBQFBNSA-N	-1	1	183.638	2.928	50	30		AFEAMM
CC[C@@H](C)c1ccc(O)c(/C=N/[O-])c1	13120177	351367897	/nfs/dbraw/zinc/36/78/97/351367897.db2.gz	QQJYDMQRLRLPKP-LQGZHCLWSA-N	-1	1	193.246	2.714	50	30		AFEAMM
CCOc1ccc(Cl)cc1/C=N/[O-]	13111957	351367925	/nfs/dbraw/zinc/36/79/25/351367925.db2.gz	SZQSNXQHMPOTLI-IZZDOVSWSA-N	-1	1	199.637	2.547	50	30		AFEAMM