smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN1C(=O)N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	ZINC000408595973	231072810	/nfs/dbraw/zinc/07/28/10/231072810.db2.gz	YJCHNLCJQKRJFV-WQLSENKSSA-N	-1	0	376.325	0.409	40	5		GCBBRM
Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000102627979	212072264	/nfs/dbraw/zinc/07/22/64/212072264.db2.gz	IPYDNWNQABVDRB-MDZLAQPJSA-N	-1	0	397.413	0.122	40	5		GCBBRM
Cc1nn(CCC(=O)N[C@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000017081247	570926590	/nfs/dbraw/zinc/92/65/90/570926590.db2.gz	IPYDNWNQABVDRB-LOWVWBTDSA-N	-1	0	397.413	0.122	40	5		GCBBRM
O=C([O-])[C@@H]1O[C@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005046097	204107343	/nfs/dbraw/zinc/10/73/43/204107343.db2.gz	HJQHEJWZHVHCSL-RDHIYWLCSA-N	-1	0	388.328	0.217	40	5		GCBBRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@H]2SC1	ZINC000035678343	204995781	/nfs/dbraw/zinc/99/57/81/204995781.db2.gz	QEHHUFJINZLAJE-LTRYTXMFSA-N	-1	0	395.397	0.186	40	5		GCBBRM
Cc1nc([O-])c(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1	ZINC000016363267	570331911	/nfs/dbraw/zinc/33/19/11/570331911.db2.gz	KHJAQXAKIINCJD-UHFFFAOYSA-N	-1	0	385.336	0.970	40	5		GCBBRM
O=C([O-])c1ccccc1S(=O)(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000016449375	570420336	/nfs/dbraw/zinc/42/03/36/570420336.db2.gz	DXNHHQDBGAXSOE-HIFRSBDPSA-N	-1	0	396.377	0.666	40	5		GCBBRM
O=C([O-])[C@@H]1O[C@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000005046095	204105544	/nfs/dbraw/zinc/10/55/44/204105544.db2.gz	HJQHEJWZHVHCSL-MUDKKEKZSA-N	-1	0	388.328	0.217	40	5		GCBBRM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000005046096	204106856	/nfs/dbraw/zinc/10/68/56/204106856.db2.gz	HJQHEJWZHVHCSL-FSNPWBFUSA-N	-1	0	388.328	0.217	40	5		GCBBRM
C[C@H]1O[C@@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]12	ZINC000102777962	136190368	/nfs/dbraw/zinc/19/03/68/136190368.db2.gz	FQYREZYGRNGXNE-ZMIKFJDLSA-N	-1	0	388.380	0.828	40	5		GCBBRM
Cc1nc([O-])c(C(c2ccccc2[N+](=O)[O-])C2C(=O)N=C(C)NC2=O)c(=O)[nH]1	ZINC000016363281	210188032	/nfs/dbraw/zinc/18/80/32/210188032.db2.gz	HIBSLUOWIXXPEL-UHFFFAOYSA-N	-1	0	385.336	0.970	40	5		GCBBRM
Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000017081248	205597396	/nfs/dbraw/zinc/59/73/96/205597396.db2.gz	IPYDNWNQABVDRB-WZRBSPASSA-N	-1	0	397.413	0.122	40	5		GCBBRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1	ZINC000002787143	1199937043	/nfs/dbraw/zinc/93/70/43/1199937043.db2.gz	QEHHUFJINZLAJE-WLGBHJCYSA-N	-1	0	395.397	0.186	40	5		GCBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OS(C)(=O)=O	ZINC000107571140	1192481735	/nfs/dbraw/zinc/48/17/35/1192481735.db2.gz	YQVZOLYRERMCAG-HWKANZROSA-N	-1	0	383.338	0.489	40	5		GCBBRM
Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000102627973	570854324	/nfs/dbraw/zinc/85/43/24/570854324.db2.gz	IPYDNWNQABVDRB-NTZNESFSSA-N	-1	0	397.413	0.122	40	5		GCBBRM
Cc1nn(CCC(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000017081249	208364357	/nfs/dbraw/zinc/36/43/57/208364357.db2.gz	IPYDNWNQABVDRB-DMDPSCGWSA-N	-1	0	397.413	0.122	40	5		GCBBRM
O=c1[n-]/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C\c1ccc([N+](=O)[O-])cc1	ZINC000005513171	570621452	/nfs/dbraw/zinc/62/14/52/570621452.db2.gz	LOSNRJCFOKIHOY-CKOAPEAFSA-N	-1	0	380.316	0.537	40	5		GCBBRM
O=C([O-])c1ccccc1S(=O)(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000016449379	221363439	/nfs/dbraw/zinc/36/34/39/221363439.db2.gz	DXNHHQDBGAXSOE-UKRRQHHQSA-N	-1	0	396.377	0.666	40	5		GCBBRM
O=C([O-])c1ccccc1S(=O)(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000016449377	221364125	/nfs/dbraw/zinc/36/41/25/221364125.db2.gz	DXNHHQDBGAXSOE-ZFWWWQNUSA-N	-1	0	396.377	0.666	40	5		GCBBRM
O=c1[n-]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccccc1[N+](=O)[O-]	ZINC000003173355	1199994601	/nfs/dbraw/zinc/99/46/01/1199994601.db2.gz	LSZORODYBADFLT-FOIMCPNXSA-N	-1	0	380.316	0.537	40	5		GCBBRM
O=C([O-])c1ccccc1S(=O)(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000016449380	221363411	/nfs/dbraw/zinc/36/34/11/221363411.db2.gz	DXNHHQDBGAXSOE-DZGCQCFKSA-N	-1	0	396.377	0.666	40	5		GCBBRM
C[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013522965	570642506	/nfs/dbraw/zinc/64/25/06/570642506.db2.gz	APALOONUKPGKGU-UWVGGRQHSA-N	-1	0	380.357	0.408	40	5		GCBBRM
Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000002786701	220563865	/nfs/dbraw/zinc/56/38/65/220563865.db2.gz	IPYDNWNQABVDRB-NQBHXWOUSA-N	-1	0	397.413	0.122	40	5		GCBBRM
COC(=O)CN1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)N(C)C1=S	ZINC000409213369	533500901	/nfs/dbraw/zinc/50/09/01/533500901.db2.gz	TUXQLSWMKYXZDF-YHYXMXQVSA-N	-1	0	381.366	0.882	40	5		GCBBRM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005046098	570425911	/nfs/dbraw/zinc/42/59/11/570425911.db2.gz	HJQHEJWZHVHCSL-DIKXUDHVSA-N	-1	0	388.328	0.217	40	5		GCBBRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1	ZINC000013959688	570907801	/nfs/dbraw/zinc/90/78/01/570907801.db2.gz	QEHHUFJINZLAJE-LXORQNMDSA-N	-1	0	395.397	0.186	40	5		GCBBRM