smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCC(O)(C[N@H+]3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)cc1	ZINC000585284701	557224046	/nfs/dbraw/zinc/22/40/46/557224046.db2.gz	VIRMZFJZGUMAHM-VXKWHMMOSA-N	1	1	445.560	1.117	40	10		IDCBMO
COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)CCn4cnnn4)CC3)CC2)cc1	ZINC000072338562	524405416	/nfs/dbraw/zinc/40/54/16/524405416.db2.gz	JAPRSCDIAWQIQS-UHFFFAOYSA-N	1	1	427.553	1.523	40	10		IDCBMO
CN(C)c1ccc([C@@H]2NC3=NCN(N4CC[NH+](C)CC4)CN3c3nc4ccccc4n32)cc1	ZINC000019172412	556707392	/nfs/dbraw/zinc/70/73/92/556707392.db2.gz	MGAWABCWRYQRJM-JOCHJYFZSA-N	1	1	445.575	1.808	40	10		IDCBMO
CN(C)c1ccc([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1	ZINC000022929692	557273896	/nfs/dbraw/zinc/27/38/96/557273896.db2.gz	YSXBUWQNMLDWET-JOCHJYFZSA-N	1	1	435.532	1.853	40	10		IDCBMO
COc1ccc(N2CC[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)[C@@H](C(N)=O)C2)cc1	ZINC000257306855	568714392	/nfs/dbraw/zinc/71/43/92/568714392.db2.gz	SWHKVMVZMUDFMY-JOCHJYFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)[C@@H](C(N)=O)C2)cc1	ZINC000257306855	568714395	/nfs/dbraw/zinc/71/43/95/568714395.db2.gz	SWHKVMVZMUDFMY-JOCHJYFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@H+](CC3(O)CCN(c4ccccc4F)CC3)[C@@H](C(N)=O)C2)cc1	ZINC000257317342	568718850	/nfs/dbraw/zinc/71/88/50/568718850.db2.gz	VJJTXAOOUDPOQJ-JOCHJYFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)[C@@H](C(N)=O)C2)cc1	ZINC000257317342	568718851	/nfs/dbraw/zinc/71/88/51/568718851.db2.gz	VJJTXAOOUDPOQJ-JOCHJYFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCCN4CC(N)=O)CC2)cc1	ZINC000585285345	557224977	/nfs/dbraw/zinc/22/49/77/557224977.db2.gz	XRIUJCOKOOQAJK-SIKLNZKXSA-N	1	1	430.593	1.688	40	10		IDCBMO
CCC(NN1CC[NH+](C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC	ZINC000019894242	556940413	/nfs/dbraw/zinc/94/04/13/556940413.db2.gz	JFQJOQFFDIPAEY-XMHGGMMESA-N	1	1	442.545	1.978	40	10		IDCBMO
C[NH+]1CCN(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1	ZINC000008819625	556219328	/nfs/dbraw/zinc/21/93/28/556219328.db2.gz	UHSAVIUKHXFAOO-ATVHPVEESA-N	1	1	448.570	1.675	40	10		IDCBMO
CN(C)c1ccc([C@H]2NC3=NCN(N4CC[NH+](C)CC4)CN3c3nc4ccccc4n32)cc1	ZINC000019172414	556707406	/nfs/dbraw/zinc/70/74/06/556707406.db2.gz	MGAWABCWRYQRJM-QFIPXVFZSA-N	1	1	445.575	1.808	40	10		IDCBMO
CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1	ZINC000022929690	557273958	/nfs/dbraw/zinc/27/39/58/557273958.db2.gz	YSXBUWQNMLDWET-QFIPXVFZSA-N	1	1	435.532	1.853	40	10		IDCBMO
COc1ccc(N2CC[N@H+](CC3(O)CCN(c4ccccc4F)CC3)[C@H](C(N)=O)C2)cc1	ZINC000257317343	568718921	/nfs/dbraw/zinc/71/89/21/568718921.db2.gz	VJJTXAOOUDPOQJ-QFIPXVFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)[C@H](C(N)=O)C2)cc1	ZINC000257317343	568718926	/nfs/dbraw/zinc/71/89/26/568718926.db2.gz	VJJTXAOOUDPOQJ-QFIPXVFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCC[NH+]1CCOCC1	ZINC000019643287	557504141	/nfs/dbraw/zinc/50/41/41/557504141.db2.gz	VSQMMCVWQAVRIQ-HKWRFOASSA-N	1	1	445.476	1.446	40	10		IDCBMO
C[NH+]1CCN(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1	ZINC000027530516	569265447	/nfs/dbraw/zinc/26/54/47/569265447.db2.gz	UHSAVIUKHXFAOO-SFQUDFHCSA-N	1	1	448.570	1.675	40	10		IDCBMO
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NN3CC[NH+](C)CC3)C2=O)c1	ZINC000008819198	556218958	/nfs/dbraw/zinc/21/89/58/556218958.db2.gz	ANXSFLKTWYDLEH-SAPNQHFASA-N	1	1	434.587	1.955	40	10		IDCBMO
COc1ccc(N2CC[N@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)[C@@H](C(N)=O)C2)cc1	ZINC000257214555	568671662	/nfs/dbraw/zinc/67/16/62/568671662.db2.gz	CMKWOHYMABELCO-JOCHJYFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)[C@@H](C(N)=O)C2)cc1	ZINC000257214555	568671663	/nfs/dbraw/zinc/67/16/63/568671663.db2.gz	CMKWOHYMABELCO-JOCHJYFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)[C@H](C(N)=O)C2)cc1	ZINC000257214556	568671642	/nfs/dbraw/zinc/67/16/42/568671642.db2.gz	CMKWOHYMABELCO-QFIPXVFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)[C@H](C(N)=O)C2)cc1	ZINC000257214556	568671643	/nfs/dbraw/zinc/67/16/43/568671643.db2.gz	CMKWOHYMABELCO-QFIPXVFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)[C@H](C(N)=O)C2)cc1	ZINC000257306856	568714283	/nfs/dbraw/zinc/71/42/83/568714283.db2.gz	SWHKVMVZMUDFMY-QFIPXVFZSA-N	1	1	442.535	1.842	40	10		IDCBMO
COc1ccc(N2CC[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)[C@H](C(N)=O)C2)cc1	ZINC000257306856	568714286	/nfs/dbraw/zinc/71/42/86/568714286.db2.gz	SWHKVMVZMUDFMY-QFIPXVFZSA-N	1	1	442.535	1.842	40	10		IDCBMO