smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O	ZINC000015064446	569004507	/nfs/dbraw/zinc/00/45/07/569004507.db2.gz	LPHHSEZIQTUGSF-DNQXCXABSA-N	2	2	407.558	2.314	50	30		HEEALP
C[N@@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O	ZINC000015064446	569004508	/nfs/dbraw/zinc/00/45/08/569004508.db2.gz	LPHHSEZIQTUGSF-DNQXCXABSA-N	2	2	407.558	2.314	50	30		HEEALP
C[NH+](CCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O	ZINC000015064446	569004510	/nfs/dbraw/zinc/00/45/10/569004510.db2.gz	LPHHSEZIQTUGSF-DNQXCXABSA-N	2	2	407.558	2.314	50	30		HEEALP
C[NH+](CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O	ZINC000015064446	569004512	/nfs/dbraw/zinc/00/45/12/569004512.db2.gz	LPHHSEZIQTUGSF-DNQXCXABSA-N	2	2	407.558	2.314	50	30		HEEALP
CN(C)c1ccc(C=[NH+]Nc2cc(N3CC[NH+](CCO)CC3)ccc2[N+](=O)[O-])cc1	ZINC000020024816	558322086	/nfs/dbraw/zinc/32/20/86/558322086.db2.gz	HZZQFRQPRAMHND-CJLVFECKSA-N	2	2	412.494	2.221	50	30		HEEALP
C[N@@H+]1CCc2c(C#N)c(SCC[NH+]3CCCCC3)nc(N3CCOCC3)c2C1	ZINC000013728256	558860876	/nfs/dbraw/zinc/86/08/76/558860876.db2.gz	XLNKOGRTQCAVLG-UHFFFAOYSA-N	2	2	401.580	2.356	50	30		HEEALP
C[N@H+]1CCc2c(C#N)c(SCC[NH+]3CCCCC3)nc(N3CCOCC3)c2C1	ZINC000013728256	558860878	/nfs/dbraw/zinc/86/08/78/558860878.db2.gz	XLNKOGRTQCAVLG-UHFFFAOYSA-N	2	2	401.580	2.356	50	30		HEEALP
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC[NH+](CC)CC)C2	ZINC000023153590	519289454	/nfs/dbraw/zinc/28/94/54/519289454.db2.gz	UQFHDFAXCNJGFX-KRWDZBQOSA-N	2	2	405.612	2.047	50	30		HEEALP
N#Cc1ccc(C[NH+]2CCN(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1	ZINC000024969308	568516017	/nfs/dbraw/zinc/51/60/17/568516017.db2.gz	IGAMRFRPFAZOSV-DEOSSOPVSA-N	2	2	417.557	2.067	50	30		HEEALP
N#Cc1ccc(C[NH+]2CCN(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1	ZINC000024969308	568516018	/nfs/dbraw/zinc/51/60/18/568516018.db2.gz	IGAMRFRPFAZOSV-DEOSSOPVSA-N	2	2	417.557	2.067	50	30		HEEALP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1	ZINC000022851322	518599196	/nfs/dbraw/zinc/59/91/96/518599196.db2.gz	CIRFEPWRPJULKD-OAQYLSRUSA-N	2	2	405.583	2.470	50	30		HEEALP
C=C(C)C[N@H+](CC)Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1	ZINC000022851322	518599206	/nfs/dbraw/zinc/59/92/06/518599206.db2.gz	CIRFEPWRPJULKD-OAQYLSRUSA-N	2	2	405.583	2.470	50	30		HEEALP
CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1	ZINC000095501528	559082411	/nfs/dbraw/zinc/08/24/11/559082411.db2.gz	DBCMFBQSJWQPAA-NRFANRHFSA-N	2	2	400.567	2.189	50	30		HEEALP
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC[NH+](CC)CC)C2	ZINC000023153589	519289546	/nfs/dbraw/zinc/28/95/46/519289546.db2.gz	UQFHDFAXCNJGFX-QGZVFWFLSA-N	2	2	405.612	2.047	50	30		HEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]CCc1ccccc1)C2	ZINC000014742276	569003610	/nfs/dbraw/zinc/00/36/10/569003610.db2.gz	WMBHCIWGANHNTG-FQEVSTJZSA-N	2	2	407.562	2.146	50	30		HEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2	ZINC000020256263	569018723	/nfs/dbraw/zinc/01/87/23/569018723.db2.gz	JYLCSDIYKZSIHK-LJQANCHMSA-N	2	2	411.525	2.243	50	30		HEEALP
N#Cc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1	ZINC000024969302	568516025	/nfs/dbraw/zinc/51/60/25/568516025.db2.gz	IGAMRFRPFAZOSV-XMMPIXPASA-N	2	2	417.557	2.067	50	30		HEEALP
N#Cc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1	ZINC000024969302	568516026	/nfs/dbraw/zinc/51/60/26/568516026.db2.gz	IGAMRFRPFAZOSV-XMMPIXPASA-N	2	2	417.557	2.067	50	30		HEEALP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1	ZINC000022851320	518600070	/nfs/dbraw/zinc/60/00/70/518600070.db2.gz	CIRFEPWRPJULKD-NRFANRHFSA-N	2	2	405.583	2.470	50	30		HEEALP
C=C(C)C[N@H+](CC)Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1	ZINC000022851320	518600072	/nfs/dbraw/zinc/60/00/72/518600072.db2.gz	CIRFEPWRPJULKD-NRFANRHFSA-N	2	2	405.583	2.470	50	30		HEEALP
CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1	ZINC000095501529	559082404	/nfs/dbraw/zinc/08/24/04/559082404.db2.gz	DBCMFBQSJWQPAA-OAQYLSRUSA-N	2	2	400.567	2.189	50	30		HEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2	ZINC000014745887	569003614	/nfs/dbraw/zinc/00/36/14/569003614.db2.gz	AGIANANKQSPURP-HXUWFJFHSA-N	2	2	419.573	2.071	50	30		HEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2	ZINC000020256265	569018788	/nfs/dbraw/zinc/01/87/88/569018788.db2.gz	JYLCSDIYKZSIHK-IBGZPJMESA-N	2	2	411.525	2.243	50	30		HEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2	ZINC000014745888	569003461	/nfs/dbraw/zinc/00/34/61/569003461.db2.gz	AGIANANKQSPURP-FQEVSTJZSA-N	2	2	419.573	2.071	50	30		HEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1)C2	ZINC000014742275	569003665	/nfs/dbraw/zinc/00/36/65/569003665.db2.gz	WMBHCIWGANHNTG-HXUWFJFHSA-N	2	2	407.562	2.146	50	30		HEEALP
N#Cc1ccc(C[NH+]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)cc1	ZINC000024053918	559189291	/nfs/dbraw/zinc/18/92/91/559189291.db2.gz	APZYDLWLCBDNRH-UHFFFAOYSA-N	2	2	418.549	2.266	50	30		HEEALP