smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)cc1C	ZINC000006276067	204173595	/nfs/dbraw/zinc/17/35/95/204173595.db2.gz	DUDOFWCTXZUFMF-MHWRWJLKSA-N	-1	2	379.372	2.580	50	10		GFCALM
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc(C(=O)[O-])ccc3C)C2=O)c1	ZINC000004797351	204076363	/nfs/dbraw/zinc/07/63/63/204076363.db2.gz	DKIUJYWDITYAEH-GDNBJRDFSA-N	-1	2	379.372	2.580	50	10		GFCALM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cl	ZINC000019117592	207103405	/nfs/dbraw/zinc/10/34/05/207103405.db2.gz	ZZJVXFBBYFBCOO-LCYFTJDESA-N	-1	2	385.763	2.617	50	10		GFCALM
O=C([O-])c1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000004459194	570785910	/nfs/dbraw/zinc/78/59/10/570785910.db2.gz	FENMMQFOJXRKGE-ZROIWOOFSA-N	-1	2	385.763	2.617	50	10		GFCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c1	ZINC000009045160	570546692	/nfs/dbraw/zinc/54/66/92/570546692.db2.gz	IDIGBPJPEGXFHG-YBEGLDIGSA-N	-1	2	380.356	2.965	50	10		GFCALM
O=C([O-])c1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000103790762	570888956	/nfs/dbraw/zinc/88/89/56/570888956.db2.gz	MJKMSOWAQWSIOA-UKTHLTGXSA-N	-1	2	385.763	2.617	50	10		GFCALM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)cc1	ZINC000001137914	136196012	/nfs/dbraw/zinc/19/60/12/136196012.db2.gz	JAABPPKJHHDVPY-XNTDXEJSSA-N	-1	2	375.340	2.533	50	10		GFCALM
Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000001406461	136193294	/nfs/dbraw/zinc/19/32/94/136193294.db2.gz	NDCNOZOSQVRTCN-MHWRWJLKSA-N	-1	2	389.367	2.841	50	10		GFCALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000015769852	136201905	/nfs/dbraw/zinc/20/19/05/136201905.db2.gz	NYVFGODZDZXCOJ-XFXZXTDPSA-N	-1	2	384.319	2.796	50	10		GFCALM
O=C1[N-]C(=O)/C(=C/C=Cc2coc3ccc(Br)cc3c2=O)C(=O)N1	ZINC000002359901	654436223	/nfs/dbraw/zinc/43/62/23/654436223.db2.gz	FDATVVQAQIPPAG-OWOJBTEDSA-N	-1	2	389.161	2.701	50	10		GFCALM
O=C1[N-]C(=O)/C(=C\C=Cc2coc3ccc(Br)cc3c2=O)C(=O)N1	ZINC000002359901	654436229	/nfs/dbraw/zinc/43/62/29/654436229.db2.gz	FDATVVQAQIPPAG-OWOJBTEDSA-N	-1	2	389.161	2.701	50	10		GFCALM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1=O	ZINC000002805852	570517662	/nfs/dbraw/zinc/51/76/62/570517662.db2.gz	FNEDIXIYGNRHRF-XDUBLRSXSA-N	-1	2	394.383	2.513	50	10		GFCALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c(C(=O)[O-])c3)C2=O)cc1	ZINC000020233856	570249413	/nfs/dbraw/zinc/24/94/13/570249413.db2.gz	NUMDPEJYAAXPIO-ZROIWOOFSA-N	-1	2	399.790	2.925	50	10		GFCALM
O=C([O-])c1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000004459199	570785929	/nfs/dbraw/zinc/78/59/29/570785929.db2.gz	GBJDFCDOXMPEHK-LCYFTJDESA-N	-1	2	385.763	2.617	50	10		GFCALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000101084630	136196271	/nfs/dbraw/zinc/19/62/71/136196271.db2.gz	BDDUGEVGAXZWAK-MHWRWJLKSA-N	-1	2	379.372	2.580	50	10		GFCALM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cl	ZINC000100261466	526347964	/nfs/dbraw/zinc/34/79/64/526347964.db2.gz	ZZJVXFBBYFBCOO-UKTHLTGXSA-N	-1	2	385.763	2.617	50	10		GFCALM
O=C([O-])COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	ZINC000017028859	136202094	/nfs/dbraw/zinc/20/20/94/136202094.db2.gz	NVPVFFMZDATEQL-LCYFTJDESA-N	-1	2	384.319	2.796	50	10		GFCALM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1	ZINC000004553160	209495940	/nfs/dbraw/zinc/49/59/40/209495940.db2.gz	RROQLCSOQPNLTB-OQLLNIDSSA-N	-1	2	375.340	2.533	50	10		GFCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000002589573	209369269	/nfs/dbraw/zinc/36/92/69/209369269.db2.gz	NZIORINKVSYPHW-GZTJUZNOSA-N	-1	2	394.383	2.583	50	10		GFCALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000028632414	570462168	/nfs/dbraw/zinc/46/21/68/570462168.db2.gz	OAEGGGAPIWTUNY-GDNBJRDFSA-N	-1	2	379.372	2.580	50	10		GFCALM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1=O	ZINC000002805854	570517704	/nfs/dbraw/zinc/51/77/04/570517704.db2.gz	FNEDIXIYGNRHRF-KWWJGWKXSA-N	-1	2	394.383	2.513	50	10		GFCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000002299723	570989125	/nfs/dbraw/zinc/98/91/25/570989125.db2.gz	NISXBIXFMSVWGO-VVBXCHJUSA-N	-1	2	394.383	2.513	50	10		GFCALM
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000001184015	136196154	/nfs/dbraw/zinc/19/61/54/136196154.db2.gz	QZIIQOQCENUWDR-RVDMUPIBSA-N	-1	2	394.383	2.758	50	10		GFCALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)cc1C	ZINC000006276068	570356689	/nfs/dbraw/zinc/35/66/89/570356689.db2.gz	XXSMDTMRNNWJST-XNTDXEJSSA-N	-1	2	379.372	2.580	50	10		GFCALM
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013801336	221289561	/nfs/dbraw/zinc/28/95/61/221289561.db2.gz	GMGNNHQEQGGMKB-ZROIWOOFSA-N	-1	2	396.355	2.665	50	10		GFCALM
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C(=O)[O-]	ZINC000002957965	536598271	/nfs/dbraw/zinc/59/82/71/536598271.db2.gz	DFAYYATWTQTYMT-MHWRWJLKSA-N	-1	2	394.383	2.677	50	10		GFCALM