smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000012381032	132359232	/nfs/dbraw/zinc/35/92/32/132359232.db2.gz	KMSRNEIUMVWFIJ-WIWNTQSISA-N	-1	2	414.801	2.858	50	10		HFCALM
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-]	ZINC000002961733	536597536	/nfs/dbraw/zinc/59/75/36/536597536.db2.gz	AMXZIJCRTPDPJL-NTEUORMPSA-N	-1	2	400.774	2.713	50	10		HFCALM
COc1ccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-]	ZINC000016226082	560859525	/nfs/dbraw/zinc/85/95/25/560859525.db2.gz	HWNTZGPNIAVPCP-ZSOIEALJSA-N	-1	2	411.326	2.808	50	10		HFCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1C	ZINC000002979468	132261108	/nfs/dbraw/zinc/26/11/08/132261108.db2.gz	VIXVRUGOXFYVEY-SWEABUAFSA-N	-1	2	408.410	2.822	50	10		HFCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1	ZINC000002982932	557777400	/nfs/dbraw/zinc/77/74/00/557777400.db2.gz	ARUXVSYIRBTWIW-RIYZIHGNSA-N	-1	2	414.801	2.778	50	10		HFCALM
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000017057512	558813342	/nfs/dbraw/zinc/81/33/42/558813342.db2.gz	CZEJIMLLFXJWQC-SXGWCWSVSA-N	-1	2	424.409	2.646	50	10		HFCALM
Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c(C)c1	ZINC000004821930	559150017	/nfs/dbraw/zinc/15/00/17/559150017.db2.gz	IHWAINKISWKVAP-LICLKQGHSA-N	-1	2	408.410	2.742	50	10		HFCALM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000002305059	132252172	/nfs/dbraw/zinc/25/21/72/132252172.db2.gz	SKSTVFWOEDQNMA-FHXOWUIVSA-N	-1	2	424.409	2.604	50	10		HFCALM
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000002375663	132253684	/nfs/dbraw/zinc/25/36/84/132253684.db2.gz	UIJKGSQGFSTCOS-WOJGMQOQSA-N	-1	2	408.410	2.940	50	10		HFCALM
C[C@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000015821992	558754731	/nfs/dbraw/zinc/75/47/31/558754731.db2.gz	HSNFDVHQWJDGPX-UXYFDLPDSA-N	-1	2	424.365	2.774	50	10		HFCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000004859893	132290725	/nfs/dbraw/zinc/29/07/25/132290725.db2.gz	HVBWMXJFAXKJGL-JVVDOCDTSA-N	-1	2	408.410	2.822	50	10		HFCALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000016225728	560859520	/nfs/dbraw/zinc/85/95/20/560859520.db2.gz	UVYITSJCMOQOLN-RIYZIHGNSA-N	-1	2	411.326	2.565	50	10		HFCALM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1	ZINC000004677923	132282491	/nfs/dbraw/zinc/28/24/91/132282491.db2.gz	WWXGTIMEKLWIGO-MHWRWJLKSA-N	-1	2	403.350	2.706	50	10		HFCALM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccnc4)C3=O)o2)c1	ZINC000004677909	132282538	/nfs/dbraw/zinc/28/25/38/132282538.db2.gz	DZQMAKATZBSZII-YBEGLDIGSA-N	-1	2	403.350	2.706	50	10		HFCALM
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000009168635	132336832	/nfs/dbraw/zinc/33/68/32/132336832.db2.gz	UIJKGSQGFSTCOS-WQRHYEAKSA-N	-1	2	408.410	2.940	50	10		HFCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000010059503	132345048	/nfs/dbraw/zinc/34/50/48/132345048.db2.gz	SHNJCESDUMUPLB-VLURKWGBSA-N	-1	2	424.409	2.604	50	10		HFCALM
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000012381031	132359250	/nfs/dbraw/zinc/35/92/50/132359250.db2.gz	KMSRNEIUMVWFIJ-RCEBRVLHSA-N	-1	2	414.801	2.858	50	10		HFCALM
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002355855	132253262	/nfs/dbraw/zinc/25/32/62/132253262.db2.gz	KMSRNEIUMVWFIJ-UJFYRASASA-N	-1	2	414.801	2.858	50	10		HFCALM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000004711863	132285324	/nfs/dbraw/zinc/28/53/24/132285324.db2.gz	WPDNGBFAIBAUHF-QGOAFFKASA-N	-1	2	401.378	2.842	50	10		HFCALM
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000002990802	132261298	/nfs/dbraw/zinc/26/12/98/132261298.db2.gz	DEHRSIBXJPHMFA-NTEUORMPSA-N	-1	2	400.774	2.713	50	10		HFCALM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl	ZINC000002971276	132261087	/nfs/dbraw/zinc/26/10/87/132261087.db2.gz	BXHBXGLJMWLQKW-AWNIVKPZSA-N	-1	2	418.764	2.609	50	10		HFCALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000033455674	559194011	/nfs/dbraw/zinc/19/40/11/559194011.db2.gz	XRYAKJJVIVQYDU-ZROIWOOFSA-N	-1	2	411.326	2.565	50	10		HFCALM
C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002355858	132253271	/nfs/dbraw/zinc/25/32/71/132253271.db2.gz	KMSRNEIUMVWFIJ-LKBVRNOZSA-N	-1	2	414.801	2.858	50	10		HFCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1C	ZINC000002979466	132261070	/nfs/dbraw/zinc/26/10/70/132261070.db2.gz	VIXVRUGOXFYVEY-MPMPPSQCSA-N	-1	2	408.410	2.822	50	10		HFCALM
O=C([O-])Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000004703308	132283861	/nfs/dbraw/zinc/28/38/61/132283861.db2.gz	RZPYGPYBRPXIIF-CXUHLZMHSA-N	-1	2	407.357	2.531	50	10		HFCALM
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000002989336	132261270	/nfs/dbraw/zinc/26/12/70/132261270.db2.gz	OCUFYYIUYCCLCN-LFIBNONCSA-N	-1	2	424.409	2.849	50	10		HFCALM
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000004724979	558926310	/nfs/dbraw/zinc/92/63/10/558926310.db2.gz	UXTDCPVRDJCQTI-WQLSENKSSA-N	-1	2	404.176	2.524	50	10		HFCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000010059504	132345099	/nfs/dbraw/zinc/34/50/99/132345099.db2.gz	SHNJCESDUMUPLB-LVLBFHFTSA-N	-1	2	424.409	2.604	50	10		HFCALM
C[C@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000019996512	568586236	/nfs/dbraw/zinc/58/62/36/568586236.db2.gz	HSNFDVHQWJDGPX-LWHXSLQUSA-N	-1	2	424.365	2.774	50	10		HFCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000004859892	132290785	/nfs/dbraw/zinc/29/07/85/132290785.db2.gz	HVBWMXJFAXKJGL-DZBQEORWSA-N	-1	2	408.410	2.822	50	10		HFCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000002289626	536183865	/nfs/dbraw/zinc/18/38/65/536183865.db2.gz	UNLLRSTZQFSXME-RNEAKCBISA-N	-1	2	408.410	2.767	50	10		HFCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000002289624	536183973	/nfs/dbraw/zinc/18/39/73/536183973.db2.gz	UNLLRSTZQFSXME-HTMJNSLASA-N	-1	2	408.410	2.767	50	10		HFCALM
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000001137759	536597991	/nfs/dbraw/zinc/59/79/91/536597991.db2.gz	FNYRCDCUUMTGQD-MDWZMJQESA-N	-1	2	400.774	2.713	50	10		HFCALM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000009311412	132338523	/nfs/dbraw/zinc/33/85/23/132338523.db2.gz	SKSTVFWOEDQNMA-FHNWIRHTSA-N	-1	2	424.409	2.604	50	10		HFCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C2=O)cc1	ZINC000002365447	132253282	/nfs/dbraw/zinc/25/32/82/132253282.db2.gz	GPLGIAWFASZQDT-LICLKQGHSA-N	-1	2	403.394	2.701	50	10		HFCALM
O=C([O-])CC1(CNC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)CCCCC1	ZINC000020622745	558394428	/nfs/dbraw/zinc/39/44/28/558394428.db2.gz	YMHXAFMKQKBPMC-PTNGSMBKSA-N	-1	2	419.865	2.822	50	10		HFCALM
O=C([O-])Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000004704517	558913734	/nfs/dbraw/zinc/91/37/34/558913734.db2.gz	GUKNQTILINBBLV-ZROIWOOFSA-N	-1	2	407.357	2.531	50	10		HFCALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016225927	560859537	/nfs/dbraw/zinc/85/95/37/560859537.db2.gz	XRYAKJJVIVQYDU-NTEUORMPSA-N	-1	2	411.326	2.565	50	10		HFCALM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000017057377	558813359	/nfs/dbraw/zinc/81/33/59/558813359.db2.gz	SKSTVFWOEDQNMA-NCUBORBFSA-N	-1	2	424.409	2.808	50	10		HFCALM
C[C@@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000015821988	558754769	/nfs/dbraw/zinc/75/47/69/558754769.db2.gz	HSNFDVHQWJDGPX-OXFWXOROSA-N	-1	2	424.365	2.774	50	10		HFCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000013546644	558537885	/nfs/dbraw/zinc/53/78/85/558537885.db2.gz	OLTCKKLHEMLIBQ-SDQBBNPISA-N	-1	2	401.762	2.929	50	10		HFCALM
O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000000715914	558774146	/nfs/dbraw/zinc/77/41/46/558774146.db2.gz	ZFMGFZJIHDSKHL-UHFFFAOYSA-N	-1	2	414.262	2.953	50	10		HFCALM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000002305061	132252159	/nfs/dbraw/zinc/25/21/59/132252159.db2.gz	SKSTVFWOEDQNMA-VBEHJTROSA-N	-1	2	424.409	2.604	50	10		HFCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1	ZINC000022229396	568477226	/nfs/dbraw/zinc/47/72/26/568477226.db2.gz	PYPJOIZIRSZQHS-SFQUDFHCSA-N	-1	2	424.409	2.849	50	10		HFCALM