smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[NH2+]Cc2ccncc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1	ZINC000012298767	568463188	/nfs/dbraw/zinc/46/31/88/568463188.db2.gz	BPACBUXOCZRRLS-HSZRJFAPSA-N	2	1	421.541	3.252	10	0		HGAEMP
COc1ccc(C[NH2+]Cc2ccncc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1	ZINC000012298766	568463234	/nfs/dbraw/zinc/46/32/34/568463234.db2.gz	BPACBUXOCZRRLS-QHCPKHFHSA-N	2	1	421.541	3.252	10	0		HGAEMP
OCC[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000013732911	558587296	/nfs/dbraw/zinc/58/72/96/558587296.db2.gz	QSJLZRDUCYNDJA-UHFFFAOYSA-N	2	1	411.315	3.229	10	0		HGAEMP
COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000012073204	558318229	/nfs/dbraw/zinc/31/82/29/558318229.db2.gz	JYLAYBXBNJBHSE-QFIPXVFZSA-N	2	1	400.563	3.416	10	0		HGAEMP
O[C@@H](COc1ccccc1C[NH2+]CCc1ccncc1)C[N@H+]1CCc2ccccc2C1	ZINC000015072308	568749156	/nfs/dbraw/zinc/74/91/56/568749156.db2.gz	BXOZQOHYXGDGFR-RUZDIDTESA-N	2	1	417.553	3.212	10	0		HGAEMP
COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1ccccc1	ZINC000013732791	558587273	/nfs/dbraw/zinc/58/72/73/558587273.db2.gz	FYOKWEMYFBLWPX-UHFFFAOYSA-N	2	1	423.351	3.098	10	0		HGAEMP
COC1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1	ZINC000019146889	568862237	/nfs/dbraw/zinc/86/22/37/568862237.db2.gz	BAIHGOMIWUQWGU-HSZRJFAPSA-N	2	1	410.558	3.095	10	0		HGAEMP
COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000012073206	558318286	/nfs/dbraw/zinc/31/82/86/558318286.db2.gz	JYLAYBXBNJBHSE-JOCHJYFZSA-N	2	1	400.563	3.416	10	0		HGAEMP
CCn1ccnc1CN(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000020536697	523525722	/nfs/dbraw/zinc/52/57/22/523525722.db2.gz	KEJJSGLBVAWECQ-FQEVSTJZSA-N	2	1	401.574	3.318	10	0		HGAEMP
CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC	ZINC000012579629	568863633	/nfs/dbraw/zinc/86/36/33/568863633.db2.gz	KUOGNHRPSTVBFP-IBGZPJMESA-N	2	1	404.576	3.397	10	0		HGAEMP
CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC	ZINC000012579629	568863636	/nfs/dbraw/zinc/86/36/36/568863636.db2.gz	KUOGNHRPSTVBFP-IBGZPJMESA-N	2	1	404.576	3.397	10	0		HGAEMP
OCC[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F	ZINC000013732920	558587279	/nfs/dbraw/zinc/58/72/79/558587279.db2.gz	ARTVZXFAZOKTLL-UHFFFAOYSA-N	2	1	411.315	3.229	10	0		HGAEMP
CCn1ccnc1CN(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000020536695	523525407	/nfs/dbraw/zinc/52/54/07/523525407.db2.gz	KEJJSGLBVAWECQ-HXUWFJFHSA-N	2	1	401.574	3.318	10	0		HGAEMP
COc1ccc(C[N@@H+](C)CCOc2ccccc2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000012437717	568722939	/nfs/dbraw/zinc/72/29/39/568722939.db2.gz	GOHXCHRTRQYWFS-NRFANRHFSA-N	2	1	414.546	3.042	10	0		HGAEMP
Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1	ZINC000005055847	559237665	/nfs/dbraw/zinc/23/76/65/559237665.db2.gz	SVZLCCIFTAEOCZ-HXUWFJFHSA-N	2	1	410.562	3.382	10	0		HGAEMP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC	ZINC000012579622	568863560	/nfs/dbraw/zinc/86/35/60/568863560.db2.gz	KUOGNHRPSTVBFP-LJQANCHMSA-N	2	1	404.576	3.397	10	0		HGAEMP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC	ZINC000012579622	568863562	/nfs/dbraw/zinc/86/35/62/568863562.db2.gz	KUOGNHRPSTVBFP-LJQANCHMSA-N	2	1	404.576	3.397	10	0		HGAEMP
COc1ccc(C[N@@H+](C)CCOc2ccccc2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000012437718	568722920	/nfs/dbraw/zinc/72/29/20/568722920.db2.gz	GOHXCHRTRQYWFS-OAQYLSRUSA-N	2	1	414.546	3.042	10	0		HGAEMP
CCCOc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1Br	ZINC000020967572	558424793	/nfs/dbraw/zinc/42/47/93/558424793.db2.gz	RPQASRQRKRRQGV-UHFFFAOYSA-N	2	1	424.177	3.062	10	0		HGAEMP
O[C@H](COc1ccccc1C[NH2+]CCc1ccncc1)C[N@H+]1CCc2ccccc2C1	ZINC000015072311	568749175	/nfs/dbraw/zinc/74/91/75/568749175.db2.gz	BXOZQOHYXGDGFR-VWLOTQADSA-N	2	1	417.553	3.212	10	0		HGAEMP
Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCC[NH2+]CCO)cc1	ZINC000013733227	558587513	/nfs/dbraw/zinc/58/75/13/558587513.db2.gz	AMPKSTVKTMPWHF-UHFFFAOYSA-N	2	1	407.352	3.398	10	0		HGAEMP
Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1	ZINC000005055839	559237683	/nfs/dbraw/zinc/23/76/83/559237683.db2.gz	SVZLCCIFTAEOCZ-FQEVSTJZSA-N	2	1	410.562	3.382	10	0		HGAEMP
COC1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1	ZINC000019146885	568862183	/nfs/dbraw/zinc/86/21/83/568862183.db2.gz	BAIHGOMIWUQWGU-QHCPKHFHSA-N	2	1	410.558	3.095	10	0		HGAEMP