smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1O	ZINC001206481237	824400899	/nfs/dbraw/zinc/40/08/99/824400899.db2.gz	QELOLWPWVQALBG-QPUJVOFHSA-N	2	1	254.286	-0.445	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)C[C@H]1O	ZINC001206481237	824400902	/nfs/dbraw/zinc/40/09/02/824400902.db2.gz	QELOLWPWVQALBG-QPUJVOFHSA-N	2	1	254.286	-0.445	20	10		CBCDMP
[NH3+]C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1O	ZINC001206530821	824402641	/nfs/dbraw/zinc/40/26/41/824402641.db2.gz	QELOLWPWVQALBG-UFBFGSQYSA-N	2	1	254.286	-0.445	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1O	ZINC001206530821	824402648	/nfs/dbraw/zinc/40/26/48/824402648.db2.gz	QELOLWPWVQALBG-UFBFGSQYSA-N	2	1	254.286	-0.445	20	10		CBCDMP
Oc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1O	ZINC001234987095	825480066	/nfs/dbraw/zinc/48/00/66/825480066.db2.gz	DFHXOUZRIHHTJY-CQSZACIVSA-N	2	1	279.340	-0.059	20	10		CBCDMP
C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cc2)CC1	ZINC000775702305	582353110	/nfs/dbraw/zinc/35/31/10/582353110.db2.gz	OMOMGRAVFNOENM-IYBDPMFKSA-N	2	1	291.395	-0.024	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O	ZINC001206474862	824401062	/nfs/dbraw/zinc/40/10/62/824401062.db2.gz	GURNXLKAHBOYCM-JVXZTZIISA-N	2	1	254.286	-0.445	20	10		CBCDMP
Oc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1	ZINC001234988630	825479960	/nfs/dbraw/zinc/47/99/60/825479960.db2.gz	NJJFCRCMYIOWIU-AWEZNQCLSA-N	2	1	279.340	-0.059	20	10		CBCDMP
COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)cc1O	ZINC001206476856	824400942	/nfs/dbraw/zinc/40/09/42/824400942.db2.gz	WKPVPJIMKYMSEQ-JOYOIKCWSA-N	2	1	268.313	-0.142	20	10		CBCDMP
COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)cc1O	ZINC001206476856	824400945	/nfs/dbraw/zinc/40/09/45/824400945.db2.gz	WKPVPJIMKYMSEQ-JOYOIKCWSA-N	2	1	268.313	-0.142	20	10		CBCDMP
Oc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1	ZINC001234988635	825480670	/nfs/dbraw/zinc/48/06/70/825480670.db2.gz	NJJFCRCMYIOWIU-CQSZACIVSA-N	2	1	279.340	-0.059	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1O	ZINC001206467811	884758312	/nfs/dbraw/zinc/75/83/12/884758312.db2.gz	AEXXLXPVAYOZKI-GOEBONIOSA-N	3	1	290.411	-0.152	20	10		CBCDMP
[NH3+]C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1O	ZINC001206467811	884758317	/nfs/dbraw/zinc/75/83/17/884758317.db2.gz	AEXXLXPVAYOZKI-GOEBONIOSA-N	2	1	290.411	-0.152	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1O	ZINC001206525113	824402145	/nfs/dbraw/zinc/40/21/45/824402145.db2.gz	GURNXLKAHBOYCM-MADCSZMMSA-N	2	1	254.286	-0.445	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1O	ZINC001206524913	824402197	/nfs/dbraw/zinc/40/21/97/824402197.db2.gz	AEXXLXPVAYOZKI-HOCLYGCPSA-N	3	1	290.411	-0.152	20	10		CBCDMP
[NH3+]C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1O	ZINC001206524913	824402200	/nfs/dbraw/zinc/40/22/00/824402200.db2.gz	AEXXLXPVAYOZKI-HOCLYGCPSA-N	2	1	290.411	-0.152	20	10		CBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1O	ZINC001206481673	824400674	/nfs/dbraw/zinc/40/06/74/824400674.db2.gz	XUDCVSMVXXVQTM-GXTWGEPZSA-N	3	1	293.367	-0.374	20	10		CBCDMP
[NH3+]C[C@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1O	ZINC001206481673	824400677	/nfs/dbraw/zinc/40/06/77/824400677.db2.gz	XUDCVSMVXXVQTM-GXTWGEPZSA-N	2	1	293.367	-0.374	20	10		CBCDMP
Oc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc(O)c1O	ZINC001234989032	825480356	/nfs/dbraw/zinc/48/03/56/825480356.db2.gz	LCDXZWYOYRKGNA-CQSZACIVSA-N	2	1	279.340	-0.059	20	10		CBCDMP
Oc1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1	ZINC001235871921	825517077	/nfs/dbraw/zinc/51/70/77/825517077.db2.gz	YYCBWPMBGPTXRX-UHFFFAOYSA-N	2	1	294.399	-0.318	20	10		CBCDMP
COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)cc1O	ZINC001206525633	824402248	/nfs/dbraw/zinc/40/22/48/824402248.db2.gz	WKPVPJIMKYMSEQ-CABZTGNLSA-N	2	1	268.313	-0.142	20	10		CBCDMP
COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)cc1O	ZINC001206525633	824402255	/nfs/dbraw/zinc/40/22/55/824402255.db2.gz	WKPVPJIMKYMSEQ-CABZTGNLSA-N	2	1	268.313	-0.142	20	10		CBCDMP
Oc1ccccc1C[NH+]1CCNCC[NH2+]CCNCC1	ZINC001235871615	825516626	/nfs/dbraw/zinc/51/66/26/825516626.db2.gz	VKDKKGGBXXFACU-UHFFFAOYSA-N	2	1	278.400	-0.023	20	10		CBCDMP
Oc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1O	ZINC001234987071	825480075	/nfs/dbraw/zinc/48/00/75/825480075.db2.gz	DFHXOUZRIHHTJY-AWEZNQCLSA-N	2	1	279.340	-0.059	20	10		CBCDMP
[NH3+][C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O	ZINC001205959270	824391230	/nfs/dbraw/zinc/39/12/30/824391230.db2.gz	MGFIUKHNBLFJFO-BXKDBHETSA-N	2	1	254.286	-0.303	20	10		CBCDMP
[NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1O	ZINC001205959719	824391194	/nfs/dbraw/zinc/39/11/94/824391194.db2.gz	TZDDAMLTEWQNMY-HZPDHXFCSA-N	3	1	290.411	-0.010	20	10		CBCDMP
[NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1O	ZINC001205959719	824391196	/nfs/dbraw/zinc/39/11/96/824391196.db2.gz	TZDDAMLTEWQNMY-HZPDHXFCSA-N	3	1	290.411	-0.010	20	10		CBCDMP
COC(=O)Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1	ZINC001206491821	824400406	/nfs/dbraw/zinc/40/04/06/824400406.db2.gz	MSEZCPDQMKFNAX-GXTWGEPZSA-N	2	1	294.351	-0.141	20	10		CBCDMP
Oc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc(O)c1O	ZINC001234989030	825480387	/nfs/dbraw/zinc/48/03/87/825480387.db2.gz	LCDXZWYOYRKGNA-AWEZNQCLSA-N	2	1	279.340	-0.059	20	10		CBCDMP