smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000012412976	462852784	/nfs/dbraw/zinc/85/27/84/462852784.db2.gz	SIAIQIYHXHDQKM-CYVLTUHYSA-N	-2	0	338.323	2.281	50	30		EEEARL
O=C([O-])C(N=Nc1ccccc1)=C(NNc1ccccc1)C(=O)[O-]	ZINC000252613422	464984487	/nfs/dbraw/zinc/98/44/87/464984487.db2.gz	JBCIWHUXUYBMAH-UHFFFAOYSA-N	-2	0	326.312	2.092	50	30		EEEARL
O=C([O-])c1cc(-c2ccc(CN=Nc3nnn[n-]3)o2)ccc1Cl	ZINC000005016152	526342423	/nfs/dbraw/zinc/34/24/23/526342423.db2.gz	ZROATMLDGZFLOL-GIDUJCDVSA-N	-2	0	332.707	2.257	50	30		EEEARL
O=C([O-])COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)[O-])cc1)C2=O	ZINC000009419065	211081192	/nfs/dbraw/zinc/08/11/92/211081192.db2.gz	OALZMAHAJXVZEH-CHHVJCJISA-N	-2	0	340.287	2.464	50	30		EEEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([S@@](=O)[O-])cc1	ZINC000023549876	212382547	/nfs/dbraw/zinc/38/25/47/212382547.db2.gz	RTGIXUPSIZCQDZ-SDXDJHTJSA-N	-2	0	342.380	2.458	50	30		EEEARL
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1[O-]	ZINC000032227836	202222420	/nfs/dbraw/zinc/22/24/20/202222420.db2.gz	KXVRBJUAMICLSH-PXNMLYILSA-N	-2	0	331.284	2.453	50	30		EEEARL
C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000013123904	462885263	/nfs/dbraw/zinc/88/52/63/462885263.db2.gz	JFZVMBGEIFPVOK-ALCCZGGFSA-N	-2	0	345.311	2.128	50	30		EEEARL
O=C([O-])c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/[O-]	ZINC000020065841	304227885	/nfs/dbraw/zinc/22/78/85/304227885.db2.gz	XZJGHMGXVLOYSQ-SQFISAMPSA-N	-2	0	329.224	2.408	50	30		EEEARL
CC(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-]	ZINC000003086825	278996870	/nfs/dbraw/zinc/99/68/70/278996870.db2.gz	XOMHVLOQFFOXKX-RXMQYKEDSA-N	-2	0	327.196	2.435	50	30		EEEARL
CC(C)C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-]	ZINC000003086824	279184310	/nfs/dbraw/zinc/18/43/10/279184310.db2.gz	XOMHVLOQFFOXKX-YFKPBYRVSA-N	-2	0	327.196	2.435	50	30		EEEARL
O=C([O-])CN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccccc1	ZINC000005819255	462669774	/nfs/dbraw/zinc/66/97/74/462669774.db2.gz	ZPARPFNLINHCFO-IBOXJLQUSA-N	-2	0	337.331	2.193	50	30		EEEARL
O=C([O-])CN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccccc1	ZINC000009350247	211072453	/nfs/dbraw/zinc/07/24/53/211072453.db2.gz	ZPARPFNLINHCFO-UYTDBDHRSA-N	-2	0	337.331	2.193	50	30		EEEARL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1	ZINC000023371048	212372819	/nfs/dbraw/zinc/37/28/19/212372819.db2.gz	LUWLVGKYIWABNE-UHFFFAOYSA-N	-2	0	331.349	2.176	50	30		EEEARL
O=C([O-])CCC(N=Nc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-]	ZINC000012955965	462878105	/nfs/dbraw/zinc/87/81/05/462878105.db2.gz	CWMOLBNXRMPNTF-IDUWFGFVSA-N	-2	0	339.657	2.471	50	30		EEEARL
C=CCOc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cccc1OC	ZINC000009235225	211056716	/nfs/dbraw/zinc/05/67/16/211056716.db2.gz	ZQAJREPFEMZQPA-BQYQJAHWSA-N	-2	0	345.311	2.128	50	30		EEEARL
O=[N+]([O-])c1ccc([O-])c(/C=N/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000006861885	462708682	/nfs/dbraw/zinc/70/86/82/462708682.db2.gz	ULNJZDPQMMBRNH-BGPOSVGRSA-N	-2	0	330.256	2.367	50	30		EEEARL
O=[N+]([O-])c1cc(C=NNC(=S)NCc2ccccc2)c([O-])cc1[O-]	ZINC000011903720	211266716	/nfs/dbraw/zinc/26/67/16/211266716.db2.gz	QWPIOIIYWCGPOY-RQZCQDPDSA-N	-2	0	346.368	2.416	50	30		EEEARL
COc1cc([N+](=O)[O-])cc(C=NNc2ccccc2C(=O)[O-])c1[O-]	ZINC000035240400	213015811	/nfs/dbraw/zinc/01/58/11/213015811.db2.gz	HKBHTRGHZLSZSR-LZYBPNLTSA-N	-2	0	331.284	2.453	50	30		EEEARL
COc1cc(C=NNc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000011903700	211266188	/nfs/dbraw/zinc/26/61/88/211266188.db2.gz	KIQAMSFVCWTVTA-LZYBPNLTSA-N	-2	0	331.284	2.453	50	30		EEEARL
O=C([O-])C(N=Nc1ccccc1)=C(NNc1ccccc1)C(=O)[O-]	ZINC000100293579	219096288	/nfs/dbraw/zinc/09/62/88/219096288.db2.gz	JBCIWHUXUYBMAH-AXPXABNXSA-N	-2	0	326.312	2.092	50	30		EEEARL
O=[N+]([O-])c1ccc(/C=N/N=C/c2cc([N+](=O)[O-])c([O-])cc2[O-])cc1	ZINC000004705093	210255060	/nfs/dbraw/zinc/25/50/60/210255060.db2.gz	LWGFNUOLGFNTTP-BGPOSVGRSA-N	-2	0	330.256	2.367	50	30		EEEARL
O=C(/C=N/[O-])Nc1ccc(Cc2ccc(NC(=O)/C=N/[O-])cc2)cc1	ZINC000071770350	463424552	/nfs/dbraw/zinc/42/45/52/463424552.db2.gz	BDXFZMBDQSWHAI-XOBNHNQQSA-N	-2	0	340.339	2.074	50	30		EEEARL