smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O	ZINC000012529612	436050296	/nfs/dbraw/zinc/05/02/96/436050296.db2.gz	RTDMFQKCLDHULZ-HSFUPAIVSA-N	1	0	334.416	0.821	40	10	biogenic,in-vitro	ECCBRO
CCOCc1cc(C[NH2+]C[C@@H]2COC[C@@H](O)[C@H]2O)ccc1OC	ZINC000585285551	439639774	/nfs/dbraw/zinc/63/97/74/439639774.db2.gz	FEICWWLCFMDHPH-INMHGKMJSA-N	1	0	325.405	0.690	40	10		ECCBRO
COc1ccc(N2CC[NH2+][C@H](C(=O)NCCn3ccc(C)n3)C2)cc1	ZINC000257262206	536705202	/nfs/dbraw/zinc/70/52/02/536705202.db2.gz	LKOZPGZWQSVNOU-KRWDZBQOSA-N	1	0	343.431	0.795	40	10		ECCBRO
CCOC(=O)CNC(=O)C([N+]#N)=C(O)CCOc1ccccc1OC	ZINC000004934728	210328550	/nfs/dbraw/zinc/32/85/50/210328550.db2.gz	ROHXCWDRJRLMJW-UHFFFAOYSA-N	1	0	349.343	0.383	40	10		ECCBRO
CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3O)CCN2[C@](C)(CO)C1	ZINC000514288325	438814066	/nfs/dbraw/zinc/81/40/66/438814066.db2.gz	BYGYPBMKUWFKPT-WMZOPIPTSA-N	1	0	333.432	0.492	40	10	biogenic,in-vitro	ECCBRO
COC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420143	219099303	/nfs/dbraw/zinc/09/93/03/219099303.db2.gz	VSRPPMMZWAVKTF-AHXJXLJNSA-N	1	0	345.399	0.560	40	10		ECCBRO
Nc1nc2c(c(N)n1)C[C@@]1(COCC[N@H+](Cc3ccccc3O)C1)O2	ZINC000257279655	436861238	/nfs/dbraw/zinc/86/12/38/436861238.db2.gz	OHPILFCNILODDO-QGZVFWFLSA-N	1	0	343.387	0.553	40	10		ECCBRO
O=C1c2ccccc2C(=O)c2c(O)c(NCC[NH2+]CCO)cc(O)c21	ZINC000005390382	435988320	/nfs/dbraw/zinc/98/83/20/435988320.db2.gz	QVDYNRJLVYYQRZ-UHFFFAOYSA-N	1	0	342.351	0.867	40	10		ECCBRO
COc1ccc(N2CC[NH2+][C@@H](C(=O)NCCN3CCCC3=O)C2)cc1	ZINC000257330246	436872763	/nfs/dbraw/zinc/87/27/63/436872763.db2.gz	XNOFBMKYTTYOKT-MRXNPFEDSA-N	1	0	346.431	0.212	40	10		ECCBRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O)C1CCCC1	ZINC000077264065	436229382	/nfs/dbraw/zinc/22/93/82/436229382.db2.gz	VUNPBNNYCOFATJ-OIISXLGYSA-N	1	0	334.416	0.917	40	10	biogenic,in-vitro	ECCBRO
COc1ccc(N2CC[NH2+][C@@H](C(=O)N3CCC(CO)CC3)C2)cc1	ZINC000257305370	436867741	/nfs/dbraw/zinc/86/77/41/436867741.db2.gz	SPRNTMBBCOMUFV-QGZVFWFLSA-N	1	0	333.432	0.704	40	10		ECCBRO
O=S1(=O)N[C@@H]2CN(Cc3ccccc3O)C[C@@H]2Oc2ncccc21	ZINC000514289561	438813329	/nfs/dbraw/zinc/81/33/29/438813329.db2.gz	LDHBHESZNGIKLU-OCCSQVGLSA-N	1	0	347.396	0.711	40	10	biogenic,in-vitro	ECCBRO
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3O)C2)C1	ZINC000514289517	438811937	/nfs/dbraw/zinc/81/19/37/438811937.db2.gz	NAJXUFYBZPNIAV-JKSUJKDBSA-N	1	0	331.416	0.244	40	10	biogenic,in-vitro	ECCBRO
CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3O)C2)C1	ZINC000514289516	438814047	/nfs/dbraw/zinc/81/40/47/438814047.db2.gz	NAJXUFYBZPNIAV-HZPDHXFCSA-N	1	0	331.416	0.244	40	10	biogenic,in-vitro	ECCBRO
COc1ccc(N2CC[NH2+][C@@H](C(=O)NCCn3ccc(C)n3)C2)cc1	ZINC000257262207	536705952	/nfs/dbraw/zinc/70/59/52/536705952.db2.gz	LKOZPGZWQSVNOU-QGZVFWFLSA-N	1	0	343.431	0.795	40	10		ECCBRO
COc1ccc(N2CC[NH2+][C@H](C(=O)NCCN3CCCC3=O)C2)cc1	ZINC000257330245	436872718	/nfs/dbraw/zinc/87/27/18/436872718.db2.gz	XNOFBMKYTTYOKT-INIZCTEOSA-N	1	0	346.431	0.212	40	10		ECCBRO
COc1ccc(N2CC[NH2+][C@H](C(=O)N3CCC(CO)CC3)C2)cc1	ZINC000257305369	436869026	/nfs/dbraw/zinc/86/90/26/436869026.db2.gz	SPRNTMBBCOMUFV-KRWDZBQOSA-N	1	0	333.432	0.704	40	10		ECCBRO
Nc1nc2c(c(N)n1)C[C@]1(COCC[N@H+](Cc3ccccc3O)C1)O2	ZINC000257279654	436861489	/nfs/dbraw/zinc/86/14/89/436861489.db2.gz	OHPILFCNILODDO-KRWDZBQOSA-N	1	0	343.387	0.553	40	10		ECCBRO