smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CC[C@H](Oc2ccc([C@H](Oc3ccc4c(c3)CN(C(N)=[NH2+])CC4)C(=O)OCC)cc2)C1	ZINC000013782217	562992445	/nfs/dbraw/zinc/99/24/45/562992445.db2.gz	LXPHZHBUHUZDRJ-DQEYMECFSA-N	1	3	478.593	3.260	1	30		JGEFHO
C=CCN1C[C@@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000003830351	554470924	/nfs/dbraw/zinc/47/09/24/554470924.db2.gz	KORNTPPJEAJQIU-WPYKKVEZSA-N	1	3	451.615	3.194	1	30		JGEFHO
N#Cc1ccc2[nH]cc(CN3CCC4(CC3)CN(CC[NH2+]Cc3ccccc3)C(=O)CO4)c2c1	ZINC000045303228	563187238	/nfs/dbraw/zinc/18/72/38/563187238.db2.gz	ABTJUSAHIIMOKK-UHFFFAOYSA-N	1	3	457.578	3.023	1	30		JGEFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1	ZINC000013440126	562962930	/nfs/dbraw/zinc/96/29/30/562962930.db2.gz	YMTNCGNKMLTCMT-DEOSSOPVSA-N	1	3	456.594	3.273	1	30		JGEFHO
CCCN1CCN(c2nc3ccc(/[NH+]=C(\C)N(C)C)cc3nc2N2CCN(CCC)CC2)CC1	ZINC000053257464	563205465	/nfs/dbraw/zinc/20/54/65/563205465.db2.gz	LLUOISSKBLGILA-SZXQPVLSSA-N	1	3	466.678	3.305	1	30		JGEFHO
COc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2c(N2CC[NH2+]CC2)nc2ccccc12	ZINC000059202047	563208909	/nfs/dbraw/zinc/20/89/09/563208909.db2.gz	BVRIMJHZCNXUKZ-URGPHPNLSA-N	1	3	457.578	3.498	1	30		JGEFHO
CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCNC(N)=[NH2+]	ZINC000043845887	563171135	/nfs/dbraw/zinc/17/11/35/563171135.db2.gz	KJOIXGYPGBBKHG-YADHBBJMSA-N	1	3	466.715	3.176	1	30		JGEFHO
O=C(CCCCC(=O)NCCC[NH2+]CCCC[NH2+]Cc1ccccc1-c1ccccc1)N[O-]	ZINC000029053821	563093282	/nfs/dbraw/zinc/09/32/82/563093282.db2.gz	PAFAAGHUEHQWPS-UHFFFAOYSA-N	1	3	454.615	3.385	1	30		JGEFHO
O=C(CCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCSc1ccccc1)N[O-]	ZINC000029052695	563093090	/nfs/dbraw/zinc/09/30/90/563093090.db2.gz	FOMJBXUADDDUCW-UHFFFAOYSA-N	1	3	452.665	3.090	1	30		JGEFHO
C=CCN1CC[C@H](Oc2ccc([C@@H](Oc3ccc4c(c3)CN(C(N)=[NH2+])CC4)C(=O)OCC)cc2)C1	ZINC000013782218	562992400	/nfs/dbraw/zinc/99/24/00/562992400.db2.gz	LXPHZHBUHUZDRJ-LOSJGSFVSA-N	1	3	478.593	3.260	1	30		JGEFHO
CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCNC(N)=[NH2+]	ZINC000043845889	563171089	/nfs/dbraw/zinc/17/10/89/563171089.db2.gz	KJOIXGYPGBBKHG-VXKWHMMOSA-N	1	3	466.715	3.176	1	30		JGEFHO
C(=CN=NC1=NCCN1)Cc1c2ccccc2c(CC=CN=NC2=[NH+]CCN2)c2ccccc21	ZINC000027559379	563046634	/nfs/dbraw/zinc/04/66/34/563046634.db2.gz	GPRLXYJCIXNIEZ-KNJGJBEISA-N	1	3	450.550	3.089	1	30		JGEFHO