smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC12CN3CC(C[NH+](C1)CC3)/C2=N\N=C1/C2CN3CC1(CCCC)C[N@@H+](C2)CC3	ZINC000019359576	556745614	/nfs/dbraw/zinc/74/56/14/556745614.db2.gz	PDAAVCPESIAHIB-LMCGJEQXSA-N	2	2	440.680	2.659	50	30		IFEALP
CCCCC12CN3CC(C[NH+](C1)CC3)/C2=N\N=C1/C2CN3CC1(CCCC)C[N@H+](C2)CC3	ZINC000019359576	556745616	/nfs/dbraw/zinc/74/56/16/556745616.db2.gz	PDAAVCPESIAHIB-LMCGJEQXSA-N	2	2	440.680	2.659	50	30		IFEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C2	ZINC000014537837	519288845	/nfs/dbraw/zinc/28/88/45/519288845.db2.gz	DPEJSTQIIUIWKD-IBGZPJMESA-N	2	2	427.980	2.757	50	30		IFEALP
C=CCOC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(F)cc2)CC1	ZINC000036340793	518996699	/nfs/dbraw/zinc/99/66/99/518996699.db2.gz	XEYCMQHRHSSKKF-OAQYLSRUSA-N	2	2	428.552	2.763	50	30		IFEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2	ZINC000014537836	519290176	/nfs/dbraw/zinc/29/01/76/519290176.db2.gz	DPEJSTQIIUIWKD-LJQANCHMSA-N	2	2	427.980	2.757	50	30		IFEALP
C=CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(F)cc2)CC1	ZINC000036340792	123251121	/nfs/dbraw/zinc/25/11/21/123251121.db2.gz	XEYCMQHRHSSKKF-NRFANRHFSA-N	2	2	428.552	2.763	50	30		IFEALP
CCCCC12CN3CC(C[N@H+](C1)CC3)C2=N/N=C1\C2CN3CC1(CCCC)C[NH+](C2)CC3	ZINC000252327536	569183107	/nfs/dbraw/zinc/18/31/07/569183107.db2.gz	PDAAVCPESIAHIB-BCYWNMDCSA-N	2	2	440.680	2.659	50	30		IFEALP
CCCCC12CN3CC(C[N@@H+](C1)CC3)C2=N/N=C1\C2CN3CC1(CCCC)C[NH+](C2)CC3	ZINC000252327536	569183108	/nfs/dbraw/zinc/18/31/08/569183108.db2.gz	PDAAVCPESIAHIB-BCYWNMDCSA-N	2	2	440.680	2.659	50	30		IFEALP
CCCCC12CN3CC(C[NH+](C1)CC3)C2=N/N=C1\C2CN3CC1(CCCC)C[N@H+](C2)CC3	ZINC000252327536	569183109	/nfs/dbraw/zinc/18/31/09/569183109.db2.gz	PDAAVCPESIAHIB-BCYWNMDCSA-N	2	2	440.680	2.659	50	30		IFEALP
CCCCC12CN3CC(C[NH+](C1)CC3)C2=N/N=C1\C2CN3CC1(CCCC)C[N@@H+](C2)CC3	ZINC000252327536	569183110	/nfs/dbraw/zinc/18/31/10/569183110.db2.gz	PDAAVCPESIAHIB-BCYWNMDCSA-N	2	2	440.680	2.659	50	30		IFEALP