smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218120848	568926136	/nfs/dbraw/zinc/92/61/36/568926136.db2.gz	CQYDTCINLMRQQT-HNNXBMFYSA-N	1	1	407.413	3.305	50	70		HGIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	ZINC000217869335	568916880	/nfs/dbraw/zinc/91/68/80/568916880.db2.gz	HRXDSFDFJZJLED-YZVOILCLSA-N	1	1	407.917	3.213	50	70	biogenic	HGIAMO
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n(C)n2)c(OC)c1	ZINC000217639079	568901257	/nfs/dbraw/zinc/90/12/57/568901257.db2.gz	MQBBIEKHQOAWIV-OXJNMPFZSA-N	1	1	412.534	3.099	50	70	biogenic	HGIAMO
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n(C)n2)cc1OC	ZINC000217613903	568898885	/nfs/dbraw/zinc/89/88/85/568898885.db2.gz	VUVUAKGBDKCXAB-PKOBYXMFSA-N	1	1	412.534	3.099	50	70	biogenic	HGIAMO
COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217721477	568907876	/nfs/dbraw/zinc/90/78/76/568907876.db2.gz	KXNNDHHUDWFVON-SFHVURJKSA-N	1	1	401.459	3.035	50	70	biogenic	HGIAMO
COc1ncccc1C(=O)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217599679	568896641	/nfs/dbraw/zinc/89/66/41/568896641.db2.gz	RSYAWAWPIGQYNJ-OAQYLSRUSA-N	1	1	409.530	3.376	50	70		HGIAMO
COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217721388	568907889	/nfs/dbraw/zinc/90/78/89/568907889.db2.gz	KXNNDHHUDWFVON-GOSISDBHSA-N	1	1	401.459	3.035	50	70	biogenic	HGIAMO
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O	ZINC000218348158	568929581	/nfs/dbraw/zinc/92/95/81/568929581.db2.gz	RCXHRYURBWISGZ-JXMROGBWSA-N	1	1	423.557	3.162	50	70		HGIAMO
COC(=O)C[C@H](c1ccccc1OC)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217635561	568900964	/nfs/dbraw/zinc/90/09/64/568900964.db2.gz	MKTVLLJINBIAJL-QGZVFWFLSA-N	1	1	401.459	3.035	50	70	biogenic	HGIAMO
Cc1sc2nc(C)n(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2c1C	ZINC000217762392	568910998	/nfs/dbraw/zinc/91/09/98/568910998.db2.gz	NPIOYZSTVVAYJO-ZWKOTPCHSA-N	1	1	416.591	3.154	50	70	biogenic	HGIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	ZINC000217869255	568916952	/nfs/dbraw/zinc/91/69/52/568916952.db2.gz	HRXDSFDFJZJLED-QMTMVMCOSA-N	1	1	407.917	3.213	50	70	biogenic	HGIAMO
COc1ncccc1C(=O)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217599766	568896609	/nfs/dbraw/zinc/89/66/09/568896609.db2.gz	RSYAWAWPIGQYNJ-NRFANRHFSA-N	1	1	409.530	3.376	50	70		HGIAMO
COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218120763	568926075	/nfs/dbraw/zinc/92/60/75/568926075.db2.gz	CQYDTCINLMRQQT-OAHLLOKOSA-N	1	1	407.413	3.305	50	70		HGIAMO
COC(=O)C[C@@H](c1ccccc1OC)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217635476	568901012	/nfs/dbraw/zinc/90/10/12/568901012.db2.gz	MKTVLLJINBIAJL-KRWDZBQOSA-N	1	1	401.459	3.035	50	70	biogenic	HGIAMO