smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN(CC=C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012744958	568996338	/nfs/dbraw/zinc/99/63/38/568996338.db2.gz	CSQSCMRWJXYBEE-QHCPKHFHSA-N	1	3	407.602	3.531	50	30		HHEAHO
Nc1c(-c2nc(-c3ccccc3)cs2)c(O)cn1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000218127992	568926327	/nfs/dbraw/zinc/92/63/27/568926327.db2.gz	LQEWMOSYKJXTSO-PKOBYXMFSA-N	1	3	408.571	3.587	50	30	biogenic	HHEAHO
Nc1c(-c2nc(-c3ccccc3)cs2)c(O)cn1C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000218127992	568926329	/nfs/dbraw/zinc/92/63/29/568926329.db2.gz	LQEWMOSYKJXTSO-PKOBYXMFSA-N	1	3	408.571	3.587	50	30	biogenic	HHEAHO
COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(C#CCCO)cc3)C2)cc1	ZINC000055211614	523949876	/nfs/dbraw/zinc/94/98/76/523949876.db2.gz	WXGGJWDSPPORQJ-SANMLTNESA-N	1	3	420.597	3.816	50	30		HHEAHO
COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(C#CCCO)cc3)C2)cc1	ZINC000055211614	523949882	/nfs/dbraw/zinc/94/98/82/523949882.db2.gz	WXGGJWDSPPORQJ-SANMLTNESA-N	1	3	420.597	3.816	50	30		HHEAHO
CC1(C)CC(n2cc(O)c(-c3nc(-c4ccc(F)cc4)cs3)c2N)CC(C)(C)[NH2+]1	ZINC000003281749	568871763	/nfs/dbraw/zinc/87/17/63/568871763.db2.gz	IFPWOOXSDDWNRT-UHFFFAOYSA-N	1	3	414.550	3.770	50	30		HHEAHO
C=CCC(O)(CC=C)CNCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000012020334	568992995	/nfs/dbraw/zinc/99/29/95/568992995.db2.gz	KSTNGLZDSDDAAK-HSZRJFAPSA-N	1	3	416.606	3.664	50	30		HHEAHO
C=CCC(O)(CC=C)CNCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012020334	568992996	/nfs/dbraw/zinc/99/29/96/568992996.db2.gz	KSTNGLZDSDDAAK-HSZRJFAPSA-N	1	3	416.606	3.664	50	30		HHEAHO
C=CCN(CC=C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000012744956	568996252	/nfs/dbraw/zinc/99/62/52/568996252.db2.gz	CSQSCMRWJXYBEE-HSZRJFAPSA-N	1	3	407.602	3.531	50	30		HHEAHO
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1	ZINC000012207735	560891877	/nfs/dbraw/zinc/89/18/77/560891877.db2.gz	FWEZOTIDPHFNEI-HSZRJFAPSA-N	1	3	412.574	3.965	50	30		HHEAHO
C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1	ZINC000012207735	560891878	/nfs/dbraw/zinc/89/18/78/560891878.db2.gz	FWEZOTIDPHFNEI-HSZRJFAPSA-N	1	3	412.574	3.965	50	30		HHEAHO
C=C(C)CC[C@H](C)[NH+]1CCC(Oc2cc(C(=O)NCCN(C)C)ccc2OC)CC1	ZINC000011844349	568992377	/nfs/dbraw/zinc/99/23/77/568992377.db2.gz	UHCUPEOBSABLPB-IBGZPJMESA-N	1	3	417.594	3.575	50	30		HHEAHO
C[N@@H+](Cc1ccc(C#CCCO)cc1)CC1CCN(CCc2cccc(F)c2)CC1	ZINC000011775150	568992326	/nfs/dbraw/zinc/99/23/26/568992326.db2.gz	BTJKAVPEDMTIAW-UHFFFAOYSA-N	1	3	408.561	3.946	50	30		HHEAHO
C[N@H+](Cc1ccc(C#CCCO)cc1)CC1CCN(CCc2cccc(F)c2)CC1	ZINC000011775150	568992328	/nfs/dbraw/zinc/99/23/28/568992328.db2.gz	BTJKAVPEDMTIAW-UHFFFAOYSA-N	1	3	408.561	3.946	50	30		HHEAHO
C=C(C)CC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1	ZINC000011818560	568992492	/nfs/dbraw/zinc/99/24/92/568992492.db2.gz	HQKCQGKTVLTNOO-HXUWFJFHSA-N	1	3	401.595	3.908	50	30		HHEAHO
COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(C#CCCO)cc3)C2)cc1	ZINC000055211615	523948638	/nfs/dbraw/zinc/94/86/38/523948638.db2.gz	WXGGJWDSPPORQJ-AREMUKBSSA-N	1	3	420.597	3.816	50	30		HHEAHO
COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(C#CCCO)cc3)C2)cc1	ZINC000055211615	523948644	/nfs/dbraw/zinc/94/86/44/523948644.db2.gz	WXGGJWDSPPORQJ-AREMUKBSSA-N	1	3	420.597	3.816	50	30		HHEAHO
C=C(C)CC[C@@H](C)[NH+]1CCC(Oc2cc(C(=O)NCCN(C)C)ccc2OC)CC1	ZINC000011844350	568992466	/nfs/dbraw/zinc/99/24/66/568992466.db2.gz	UHCUPEOBSABLPB-LJQANCHMSA-N	1	3	417.594	3.575	50	30		HHEAHO
C=C(C)CC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1	ZINC000011818559	568992682	/nfs/dbraw/zinc/99/26/82/568992682.db2.gz	HQKCQGKTVLTNOO-FQEVSTJZSA-N	1	3	401.595	3.908	50	30		HHEAHO
Cc1ccc(-c2csc(-c3c(O)cn(C4CC(C)(C)[NH2+]C(C)(C)C4)c3N)n2)cc1	ZINC000003281740	568871780	/nfs/dbraw/zinc/87/17/80/568871780.db2.gz	UKWJQERRZHRZJZ-UHFFFAOYSA-N	1	3	410.587	3.940	50	30		HHEAHO
C=CCC(O)(CC=C)CNCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000012020342	568993091	/nfs/dbraw/zinc/99/30/91/568993091.db2.gz	KSTNGLZDSDDAAK-QHCPKHFHSA-N	1	3	416.606	3.664	50	30		HHEAHO
C=CCC(O)(CC=C)CNCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012020342	568993094	/nfs/dbraw/zinc/99/30/94/568993094.db2.gz	KSTNGLZDSDDAAK-QHCPKHFHSA-N	1	3	416.606	3.664	50	30		HHEAHO
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1	ZINC000012207728	560891835	/nfs/dbraw/zinc/89/18/35/560891835.db2.gz	FWEZOTIDPHFNEI-QHCPKHFHSA-N	1	3	412.574	3.965	50	30		HHEAHO
C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1	ZINC000012207728	560891837	/nfs/dbraw/zinc/89/18/37/560891837.db2.gz	FWEZOTIDPHFNEI-QHCPKHFHSA-N	1	3	412.574	3.965	50	30		HHEAHO