smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)o1	ZINC000036157286	518688092	/nfs/dbraw/zinc/68/80/92/518688092.db2.gz	ZZMNPEAQHIWZEX-OAQYLSRUSA-N	1	1	381.516	4.801	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCCOC)Cc2ccc(C)cc2)o1	ZINC000036202839	518687455	/nfs/dbraw/zinc/68/74/55/518687455.db2.gz	XVXQKLBJLRPZDE-UHFFFAOYSA-N	1	1	383.532	4.967	10	30		GJEEMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCCOC)Cc2ccc(C)cc2)o1	ZINC000036202841	518587445	/nfs/dbraw/zinc/58/74/45/518587445.db2.gz	KZSBRZYCFNVSOD-UHFFFAOYSA-N	1	1	383.532	4.967	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCCOC)Cc2ccc(F)cc2)o1	ZINC000036167747	518687770	/nfs/dbraw/zinc/68/77/70/518687770.db2.gz	ISZWCLVOURRSAS-UHFFFAOYSA-N	1	1	387.495	4.797	10	30		GJEEMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCCOC)Cc2ccc(OC)cc2)o1	ZINC000036167671	518586561	/nfs/dbraw/zinc/58/65/61/518586561.db2.gz	UEYHIBXYTAQSAK-UHFFFAOYSA-N	1	1	399.531	4.667	10	30		GJEEMO
C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1Oc1ccccc1	ZINC000033925260	523967869	/nfs/dbraw/zinc/96/78/69/523967869.db2.gz	NKVBNQFLXFFBAU-NQDQBVNISA-N	1	1	376.378	4.981	10	30		GJEEMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCCOC)Cc2cccs2)o1	ZINC000036154664	570552953	/nfs/dbraw/zinc/55/29/53/570552953.db2.gz	HHHDZOBSFAMLSV-UHFFFAOYSA-N	1	1	375.534	4.720	10	30		GJEEMO
Cc1ccsc1C[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)Cc1ccccn1	ZINC000055060840	525842178	/nfs/dbraw/zinc/84/21/78/525842178.db2.gz	CPJYJSPUENNVBS-UHFFFAOYSA-N	1	1	390.552	4.776	10	30		GJEEMO
Cc1ccsc1C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)Cc1ccccn1	ZINC000055060840	525842186	/nfs/dbraw/zinc/84/21/86/525842186.db2.gz	CPJYJSPUENNVBS-UHFFFAOYSA-N	1	1	390.552	4.776	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1	ZINC000036157282	518688218	/nfs/dbraw/zinc/68/82/18/518688218.db2.gz	ZZMNPEAQHIWZEX-NRFANRHFSA-N	1	1	381.516	4.801	10	30		GJEEMO
C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1Oc1ccccc1	ZINC000033925261	523967520	/nfs/dbraw/zinc/96/75/20/523967520.db2.gz	NKVBNQFLXFFBAU-ZJQKOVPWSA-N	1	1	376.378	4.981	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCCOC)Cc2cccs2)o1	ZINC000036154658	570552935	/nfs/dbraw/zinc/55/29/35/570552935.db2.gz	FWZGITSFQDLLAO-UHFFFAOYSA-N	1	1	375.534	4.720	10	30		GJEEMO
C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1Oc1ccccc1	ZINC000102671429	523967761	/nfs/dbraw/zinc/96/77/61/523967761.db2.gz	NKVBNQFLXFFBAU-SQIWNDBBSA-N	1	1	376.378	4.981	10	30		GJEEMO
C=CCC1(CC=C)CCC[N@@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1	ZINC000012301428	209163725	/nfs/dbraw/zinc/16/37/25/209163725.db2.gz	BNJLJYIZIRZLEX-UHFFFAOYSA-N	1	1	397.519	4.589	10	30		GJEEMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1	ZINC000036157297	518587328	/nfs/dbraw/zinc/58/73/28/518587328.db2.gz	NDHSNSRWSDNMBQ-NRFANRHFSA-N	1	1	381.516	4.801	10	30		GJEEMO
Cc1ccc(C[N@H+](Cc2ccc(C#CC(C)(C)O)s2)Cc2ccncc2)s1	ZINC000055327501	524417685	/nfs/dbraw/zinc/41/76/85/524417685.db2.gz	JHJXAYBTIHEYMQ-UHFFFAOYSA-N	1	1	396.581	4.838	10	30		GJEEMO
Cc1ccc(C[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)Cc2ccncc2)s1	ZINC000055327501	524417690	/nfs/dbraw/zinc/41/76/90/524417690.db2.gz	JHJXAYBTIHEYMQ-UHFFFAOYSA-N	1	1	396.581	4.838	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCCOC)Cc2ccc(OC)cc2)o1	ZINC000036167667	518688710	/nfs/dbraw/zinc/68/87/10/518688710.db2.gz	RQLJHLRPXRDSCX-UHFFFAOYSA-N	1	1	399.531	4.667	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1	ZINC000036203018	120304731	/nfs/dbraw/zinc/30/47/31/120304731.db2.gz	OSHIRZARYXBGDK-OAQYLSRUSA-N	1	1	399.506	4.940	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1	ZINC000036203018	120304733	/nfs/dbraw/zinc/30/47/33/120304733.db2.gz	OSHIRZARYXBGDK-OAQYLSRUSA-N	1	1	399.506	4.940	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1	ZINC000036203013	518687562	/nfs/dbraw/zinc/68/75/62/518687562.db2.gz	OSHIRZARYXBGDK-NRFANRHFSA-N	1	1	399.506	4.940	10	30		GJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1	ZINC000036203013	518687571	/nfs/dbraw/zinc/68/75/71/518687571.db2.gz	OSHIRZARYXBGDK-NRFANRHFSA-N	1	1	399.506	4.940	10	30		GJEEMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)o1	ZINC000036157300	518587124	/nfs/dbraw/zinc/58/71/24/518587124.db2.gz	NDHSNSRWSDNMBQ-OAQYLSRUSA-N	1	1	381.516	4.801	10	30		GJEEMO