smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2c(cccc2Cl)[N-]/C1=C1/[N-]c2cccc(Cl)c2C1=O	ZINC000104347044	204106495	/nfs/dbraw/zinc/10/64/95/204106495.db2.gz	ARRVPHBRLHNLMH-BUHFOSPRSA-N	-2	3	331.158	4.122	40	30		EIEBHL
O=C1c2c(cccc2Cl)[N-]/C1=C1\[N-]c2cccc(Cl)c2C1=O	ZINC000100305499	563982496	/nfs/dbraw/zinc/98/24/96/563982496.db2.gz	ARRVPHBRLHNLMH-YPKPFQOOSA-N	-2	3	331.158	4.122	40	30	in-vitro	EIEBHL
[O-]c1ccc(/N=C\c2ccc(O)cc2[O-])cc1-c1nc2ccccc2o1	ZINC000005605056	526341615	/nfs/dbraw/zinc/34/16/15/526341615.db2.gz	ZUMLYRAKSWWFCL-NHDPSOOVSA-N	-2	3	346.342	4.362	40	30		EIEBHL
C=CCc1cc(/C=N/c2cccc(C(=O)[O-])c2C)cc(OCC)c1[O-]	ZINC000408857779	564007636	/nfs/dbraw/zinc/00/76/36/564007636.db2.gz	WOKHYJBQBOFRFO-CIAFOILYSA-N	-2	3	339.391	4.277	40	30		EIEBHL
[O-]c1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000051376659	214092794	/nfs/dbraw/zinc/09/27/94/214092794.db2.gz	LZVRAPDGMBUQQD-NDENLUEZSA-N	-2	3	346.415	4.349	40	30		EIEBHL
O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccccc2[O-])cc1	ZINC000408858391	564007654	/nfs/dbraw/zinc/00/76/54/564007654.db2.gz	RZBAKSSCUFTNNF-XKZIYDEJSA-N	-2	3	347.370	4.420	40	30		EIEBHL
O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/[O-])cc2Cl)cc1	ZINC000409064404	564009361	/nfs/dbraw/zinc/00/93/61/564009361.db2.gz	CSVMLOCQEIVVHD-CNHKJKLMSA-N	-2	3	340.162	4.079	40	30		EIEBHL
Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c([O-])c1	ZINC000003115515	564155221	/nfs/dbraw/zinc/15/52/21/564155221.db2.gz	WUVOJFUZOALKBD-CNHKJKLMSA-N	-2	3	334.759	4.335	40	30		EIEBHL
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)cc(OCC)c1[O-]	ZINC000059248197	257851048	/nfs/dbraw/zinc/85/10/48/257851048.db2.gz	CWCPBYFPUJITBO-CIAFOILYSA-N	-2	3	339.391	4.277	40	30		EIEBHL
[O-]C1=CC(c2cccc(Cl)c2)C=C([O-])C1c1nc2ccccc2[nH]1	ZINC000009287728	211061321	/nfs/dbraw/zinc/06/13/21/211061321.db2.gz	NEQVOYKIQFNAAA-UHFFFAOYSA-N	-2	3	338.794	4.105	40	30		EIEBHL
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409214502	564011138	/nfs/dbraw/zinc/01/11/38/564011138.db2.gz	XVXCYHMYRIIRQF-MTJSOVHGSA-N	-2	3	334.375	4.249	40	30		EIEBHL