smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028756561	563063440	/nfs/dbraw/zinc/06/34/40/563063440.db2.gz	GDQAIPJZUYROQS-UHFFFAOYSA-N	2	0	425.489	1.214	1	10		IDCFRP
CC[NH+](CC)C[C@H](O)Cn1nc2c3c1ccc(NCC[NH3+])c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758897	563063578	/nfs/dbraw/zinc/06/35/78/563063578.db2.gz	JNOJGHBIICBQKF-ZDUSSCGKSA-N	2	0	439.516	1.732	1	10		IDCFRP
COc1cc(OC)c2c(c1)C(=O)c1cc(C[NH2+]CCCNCCC[NH3+])cc(OC)c1C2=O	ZINC000096932561	563198878	/nfs/dbraw/zinc/19/88/78/563198878.db2.gz	WDPWTBUMDUYJCF-UHFFFAOYSA-N	2	0	441.528	1.906	1	10		IDCFRP
CN(C)CC[NH2+]CCNc1ccc2c3c(nn2CCC[NH3+])-c2c(O)ccc(O)c2C(=O)c31	ZINC000028758002	563063496	/nfs/dbraw/zinc/06/34/96/563063496.db2.gz	NICIMQKVSNNRMS-UHFFFAOYSA-N	2	0	438.532	1.571	1	10		IDCFRP
[NH3+]CCCNc1ccc2c3c(nn2CCC[NH2+]CCO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028757741	563063515	/nfs/dbraw/zinc/06/35/15/563063515.db2.gz	LEWUCFVLNICFHJ-UHFFFAOYSA-N	2	0	425.489	1.392	1	10		IDCFRP
CC[NH+](CC)C[C@@H](O)Cn1nc2c3c1ccc(NCC[NH3+])c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758894	563063601	/nfs/dbraw/zinc/06/36/01/563063601.db2.gz	JNOJGHBIICBQKF-CYBMUJFWSA-N	2	0	439.516	1.732	1	10		IDCFRP
CC(C)(CO)[NH2+]CCNc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000005545065	562944143	/nfs/dbraw/zinc/94/41/43/562944143.db2.gz	NZESPWKYNKODGI-UHFFFAOYSA-N	2	0	440.544	1.228	1	10		IDCFRP
C[NH+](C)CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758781	563063543	/nfs/dbraw/zinc/06/35/43/563063543.db2.gz	JMTTXWWVFNEVRL-UHFFFAOYSA-N	2	0	425.489	1.214	1	10		IDCFRP
[NH3+]CCCCNc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000026480024	563032227	/nfs/dbraw/zinc/03/22/27/563032227.db2.gz	GCNYYTITDCMIMT-UHFFFAOYSA-N	2	0	428.489	1.018	1	10		IDCFRP
COCC[NH2+]CCNc1ccc(NCC[NH2+]CCOC)c2c1C(=O)c1ccncc1C2=O	ZINC000027903522	563048434	/nfs/dbraw/zinc/04/84/34/563048434.db2.gz	QZIGILJWAQNNFB-UHFFFAOYSA-N	2	0	441.532	1.153	1	10		IDCFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000028705492	563061992	/nfs/dbraw/zinc/06/19/92/563061992.db2.gz	JMCWBBIRRJRZAY-UHFFFAOYSA-N	3	0	436.556	1.890	1	10		IDCFRP
[NH3+]CCCCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028759707	563063587	/nfs/dbraw/zinc/06/35/87/563063587.db2.gz	LOFJFVXTJYCALE-UHFFFAOYSA-N	2	0	425.489	1.392	1	10		IDCFRP
C[NH+](C)CCCn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758778	563063462	/nfs/dbraw/zinc/06/34/62/563063462.db2.gz	LCZFCPUFXVWARD-UHFFFAOYSA-N	2	0	439.516	1.604	1	10		IDCFRP
[NH3+]CCCCCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028757818	563063522	/nfs/dbraw/zinc/06/35/22/563063522.db2.gz	DDMDITXZVYZJGR-UHFFFAOYSA-N	2	0	439.516	1.782	1	10		IDCFRP