smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCC[NH2+]CC[NH2+]CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000005760429	561698165	/nfs/dbraw/zinc/69/81/65/561698165.db2.gz	CCJPPGQFARCWSX-UHFFFAOYSA-N	2	1	624.610	3.661	1	5		KHBFMP
C[NH+](C)CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000026275771	561778143	/nfs/dbraw/zinc/77/81/43/561778143.db2.gz	KEHHOOLKJYHAPT-PMERELPUSA-N	2	1	710.927	3.718	1	5		KHBFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4CO)cc3nc2c1	ZINC000026490052	561793143	/nfs/dbraw/zinc/79/31/43/561793143.db2.gz	CJDRVVUXCIZWRZ-MKPDMIMOSA-N	2	1	547.700	3.739	1	5		KHBFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2cc3ccc(NC(=O)CC[N@@H+]4CCCC[C@@H]4CO)cc3nc2c1	ZINC000026490052	561793142	/nfs/dbraw/zinc/79/31/42/561793142.db2.gz	CJDRVVUXCIZWRZ-MKPDMIMOSA-N	2	1	547.700	3.739	1	5		KHBFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2cc3ccc(NC(=O)CC[N@@H+]4CCCC[C@H]4CO)cc3nc2c1	ZINC000026490052	561793141	/nfs/dbraw/zinc/79/31/41/561793141.db2.gz	CJDRVVUXCIZWRZ-MKPDMIMOSA-N	2	1	547.700	3.739	1	5		KHBFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2cc3ccc(NC(=O)CC[N@@H+]4CCCC[C@@H]4CO)cc3nc2c1	ZINC000026490058	561793178	/nfs/dbraw/zinc/79/31/78/561793178.db2.gz	CJDRVVUXCIZWRZ-KAYWLYCHSA-N	2	1	547.700	3.739	1	5		KHBFMP
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000026575899	561799567	/nfs/dbraw/zinc/79/95/67/561799567.db2.gz	GUICELNKCLOEIC-UHFFFAOYSA-N	2	1	547.081	3.585	1	5		KHBFMP
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c1	ZINC000026576350	561800106	/nfs/dbraw/zinc/80/01/06/561800106.db2.gz	MXFUFEKLWANXJH-UHFFFAOYSA-N	2	1	547.081	3.585	1	5		KHBFMP
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000026577346	561801333	/nfs/dbraw/zinc/80/13/33/561801333.db2.gz	COEBIKUMGQIILJ-UHFFFAOYSA-N	2	1	561.108	3.893	1	5		KHBFMP
C[N+](C)(C)CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000026674661	561813664	/nfs/dbraw/zinc/81/36/64/561813664.db2.gz	BZGIEZVXZGYLPM-CBZTZNMZSA-O	2	1	500.663	3.821	1	5		KHBFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)CC1	ZINC000028461607	561925375	/nfs/dbraw/zinc/92/53/75/561925375.db2.gz	DZZDITVRZUEXFJ-AREMUKBSSA-N	2	1	648.592	3.947	1	5		KHBFMP
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@@](=O)(NCC[NH3+])Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CC[N@H+](C)C2	ZINC000049695089	562670195	/nfs/dbraw/zinc/67/01/95/562670195.db2.gz	IWOJDONSKKRNGD-DVGRNYFXSA-N	2	1	530.518	3.518	1	5		KHBFMP
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@](=O)(NCC[NH3+])Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CC[N@H+](C)C2	ZINC000049695092	562670189	/nfs/dbraw/zinc/67/01/89/562670189.db2.gz	IWOJDONSKKRNGD-ZDXQGDSVSA-N	2	1	530.518	3.518	1	5		KHBFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2cc3ccc(NC(=O)CC[N@@H+]4CCCC[C@H]4CO)cc3nc2c1	ZINC000058668444	562701466	/nfs/dbraw/zinc/70/14/66/562701466.db2.gz	CJDRVVUXCIZWRZ-SVBPBHIXSA-N	2	1	547.700	3.739	1	5		KHBFMP
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCC[N+](C)(C)C)CC5)CCN(C)CC4)c3Cl)c2n1	ZINC000095612677	562785727	/nfs/dbraw/zinc/78/57/27/562785727.db2.gz	WJEPXRSGCSZBGV-PMERELPUSA-N	2	1	777.840	3.965	1	5		KHBFMP
C[NH+](C)CCCn1c(=O)c2ccc(NCCC[N@@H+](C)CCCN3C(=O)c4cccc5cc([N+](=O)[O-])cc(c54)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	ZINC000150531461	562843806	/nfs/dbraw/zinc/84/38/06/562843806.db2.gz	WWWOKXAQXCHXIC-UHFFFAOYSA-N	2	1	717.783	3.999	1	5		KHBFMP
COc1cc2c(=O)c3c(NCCC[N@@H+](C)CCCN4C(=O)c5cccc6cc([N+](=O)[O-])cc(c65)C4=O)ccc4c(=O)n(CC[NH+](C)C)c(=O)n(c2cc1OC)c43	ZINC000150586011	562845823	/nfs/dbraw/zinc/84/58/23/562845823.db2.gz	JKOQPESMYFGRLS-UHFFFAOYSA-N	2	1	763.808	3.626	1	5		KHBFMP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCC[N@@H+](C)CCCC[NH3+])c5=O	ZINC000150596640	562846724	/nfs/dbraw/zinc/84/67/24/562846724.db2.gz	HSFCNQMUYOFRBY-UHFFFAOYSA-N	4	1	660.819	3.695	1	5		KHBFMP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCC[N@H+](C)CCCC[NH3+])c5=O	ZINC000150596640	562846723	/nfs/dbraw/zinc/84/67/23/562846723.db2.gz	HSFCNQMUYOFRBY-UHFFFAOYSA-N	4	1	660.819	3.695	1	5		KHBFMP
C[NH+](CCCC[NH3+])CCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCC[N@@H+](C)CCC[NH3+])c5=O	ZINC000150596640	562846722	/nfs/dbraw/zinc/84/67/22/562846722.db2.gz	HSFCNQMUYOFRBY-UHFFFAOYSA-N	4	1	660.819	3.695	1	5		KHBFMP