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)c1cnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c(S(=O)(=O)F)c1	ZINC001164780152	721376979	/nfs/dbraw/zinc/37/69/79/721376979.db2.gz	DZFZDMOSHKXOAF-QFIPXVFZSA-N	0	0	496.561	2.250	20	70		JEIDRN
COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164715187	720158172	/nfs/dbraw/zinc/15/81/72/720158172.db2.gz	SZKMYWDXSKFPTB-IBGZPJMESA-N	0	0	492.573	2.429	20	70		JEIDRN
COC(=O)c1cnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(S(=O)(=O)F)c1	ZINC001164987298	722186633	/nfs/dbraw/zinc/18/66/33/722186633.db2.gz	JISCZUVMHVETCV-IRXDYDNUSA-N	0	0	484.575	2.161	20	70		JEIDRN
COC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164903112	721566737	/nfs/dbraw/zinc/56/67/37/721566737.db2.gz	AOGLMSRKBUZNJP-DOTOQJQBSA-N	0	0	453.467	2.007	20	70		JEIDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc(S(=O)(=O)F)cc4C)CC3)C2=O)cs1	ZINC001164824929	720385328	/nfs/dbraw/zinc/38/53/28/720385328.db2.gz	SLTDRMLRIZCXPX-UHFFFAOYSA-N	0	0	467.592	2.126	20	70		JEIDRN
COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164903114	721567086	/nfs/dbraw/zinc/56/70/86/721567086.db2.gz	AOGLMSRKBUZNJP-RDJZCZTQSA-N	0	0	453.467	2.007	20	70		JEIDRN
COC[C@H]1CC2(CN1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164715190	720157799	/nfs/dbraw/zinc/15/77/99/720157799.db2.gz	SZKMYWDXSKFPTB-LJQANCHMSA-N	0	0	492.573	2.429	20	70		JEIDRN
COC(=O)c1cnc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c(S(=O)(=O)F)c1	ZINC001164780151	721377052	/nfs/dbraw/zinc/37/70/52/721377052.db2.gz	DZFZDMOSHKXOAF-JOCHJYFZSA-N	0	0	496.561	2.250	20	70		JEIDRN
COC(=O)c1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(S(=O)(=O)F)c1	ZINC001164987296	722186665	/nfs/dbraw/zinc/18/66/65/722186665.db2.gz	JISCZUVMHVETCV-DLBZAZTESA-N	0	0	484.575	2.161	20	70		JEIDRN
COC(=O)c1cnc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c(S(=O)(=O)F)c1	ZINC001164987299	722186680	/nfs/dbraw/zinc/18/66/80/722186680.db2.gz	JISCZUVMHVETCV-SJORKVTESA-N	0	0	484.575	2.161	20	70		JEIDRN
COC(=O)c1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c(S(=O)(=O)F)c1	ZINC001164987297	722186690	/nfs/dbraw/zinc/18/66/90/722186690.db2.gz	JISCZUVMHVETCV-IAGOWNOFSA-N	0	0	484.575	2.161	20	70		JEIDRN
COC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164903113	721567213	/nfs/dbraw/zinc/56/72/13/721567213.db2.gz	AOGLMSRKBUZNJP-NVXWUHKLSA-N	0	0	453.467	2.007	20	70		JEIDRN
COC(=O)c1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(S(=O)(=O)F)c1	ZINC001164966277	722062516	/nfs/dbraw/zinc/06/25/16/722062516.db2.gz	PPMACOUWABXKJK-UHFFFAOYSA-N	0	0	478.546	2.040	20	70		JEIDRN
COC(=O)c1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(S(=O)(=O)F)c1	ZINC001164707881	719910099	/nfs/dbraw/zinc/91/00/99/719910099.db2.gz	YCJHMEBUEDNLGN-UHFFFAOYSA-N	0	0	469.560	2.459	20	70		JEIDRN
COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164903115	721566897	/nfs/dbraw/zinc/56/68/97/721566897.db2.gz	AOGLMSRKBUZNJP-WBVHZDCISA-N	0	0	453.467	2.007	20	70		JEIDRN