smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674764	195199467	/nfs/dbraw/zinc/19/94/67/195199467.db2.gz	WABYOOLKUVCBPS-SFTDATJTSA-N	0	3	454.502	2.363	40	10		JECBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674758	195199350	/nfs/dbraw/zinc/19/93/50/195199350.db2.gz	WABYOOLKUVCBPS-LEWJYISDSA-N	0	3	454.502	2.363	40	10		JECBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674755	195199488	/nfs/dbraw/zinc/19/94/88/195199488.db2.gz	WABYOOLKUVCBPS-NHCUHLMSSA-N	0	3	454.502	2.363	40	10		JECBHN
COc1cc(/C=C2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc(OC)c1OC	ZINC000013399972	555395521	/nfs/dbraw/zinc/39/55/21/555395521.db2.gz	QVPQOQHFYJCXSN-VBKFSLOCSA-N	0	3	454.570	2.409	40	10		JECBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817816	556384118	/nfs/dbraw/zinc/38/41/18/556384118.db2.gz	PDRUQBVXNVMOOZ-XZOQPEGZSA-N	0	3	496.564	2.241	40	10		JECBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817814	556384178	/nfs/dbraw/zinc/38/41/78/556384178.db2.gz	PDRUQBVXNVMOOZ-DHIUTWEWSA-N	0	3	496.564	2.241	40	10		JECBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817818	556384204	/nfs/dbraw/zinc/38/42/04/556384204.db2.gz	PDRUQBVXNVMOOZ-PKTZIBPZSA-N	0	3	496.564	2.241	40	10		JECBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020674863	195199770	/nfs/dbraw/zinc/19/97/70/195199770.db2.gz	NFWFGTKTMDDEAH-DHIUTWEWSA-N	0	3	496.564	2.328	40	10		JECBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000020674872	195199723	/nfs/dbraw/zinc/19/97/23/195199723.db2.gz	NFWFGTKTMDDEAH-GOTSBHOMSA-N	0	3	496.564	2.328	40	10		JECBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000020674869	195199713	/nfs/dbraw/zinc/19/97/13/195199713.db2.gz	NFWFGTKTMDDEAH-PKTZIBPZSA-N	0	3	496.564	2.328	40	10		JECBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817821	556384191	/nfs/dbraw/zinc/38/41/91/556384191.db2.gz	PDRUQBVXNVMOOZ-GOTSBHOMSA-N	0	3	496.564	2.241	40	10		JECBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020674866	195199850	/nfs/dbraw/zinc/19/98/50/195199850.db2.gz	NFWFGTKTMDDEAH-XZOQPEGZSA-N	0	3	496.564	2.328	40	10		JECBHN
[O-]c1ccccc1C[NH2+][C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O	ZINC000514288416	560034812	/nfs/dbraw/zinc/03/48/12/560034812.db2.gz	DKWLIICYZCUBNZ-ILWGZMRPSA-N	0	3	451.489	2.451	40	10	biogenic,in-vitro	JECBHN
CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCc2ccc(N(C)C)cc2)nn1)Cc1ccccc1	ZINC000005396385	554489663	/nfs/dbraw/zinc/48/96/63/554489663.db2.gz	LDUOXRVGZHFFKW-QEGGNFSNSA-N	0	3	462.598	2.473	40	10	biogenic,in-vitro	JECBHN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3)N2C)cc1	ZINC000022920928	555974593	/nfs/dbraw/zinc/97/45/93/555974593.db2.gz	WVWUZHHMPIMZQJ-RELGLDOUSA-N	0	3	493.652	2.231	40	10	biogenic,in-vitro	JECBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674761	195199546	/nfs/dbraw/zinc/19/95/46/195199546.db2.gz	WABYOOLKUVCBPS-RTWAWAEBSA-N	0	3	454.502	2.363	40	10		JECBHN