smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899816	721430177	/nfs/dbraw/zinc/43/01/77/721430177.db2.gz	ZEBMUVHLZJDIKI-WIOPSUGQSA-N	0	3	439.604	2.419	20	30		IEEDHN
CN(Cc1ccc(N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1)C1CC1	ZINC001164695197	719784329	/nfs/dbraw/zinc/78/43/29/719784329.db2.gz	KAJLNGMIBGWINQ-VWLOTQADSA-N	0	3	447.539	2.186	20	30		IEEDHN
CC(C)N(C)Cc1nnc2n1CCCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001165010326	721718646	/nfs/dbraw/zinc/71/86/46/721718646.db2.gz	GDYNCBAIZPYASK-MRXNPFEDSA-N	0	3	440.552	2.267	20	30		IEEDHN
CN(Cc1ccc(N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1)C1CC1	ZINC001164695196	719783451	/nfs/dbraw/zinc/78/34/51/719783451.db2.gz	KAJLNGMIBGWINQ-RUZDIDTESA-N	0	3	447.539	2.186	20	30		IEEDHN
CSc1nc(Cl)c(C=N[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1	ZINC001164999531	722251652	/nfs/dbraw/zinc/25/16/52/722251652.db2.gz	AFPKYAIZGLMKCY-UHFFFAOYSA-N	0	3	439.973	2.345	20	30		IEEDHN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899813	721429982	/nfs/dbraw/zinc/42/99/82/721429982.db2.gz	ZEBMUVHLZJDIKI-RCZVLFRGSA-N	0	3	439.604	2.419	20	30		IEEDHN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899811	721430252	/nfs/dbraw/zinc/43/02/52/721430252.db2.gz	ZEBMUVHLZJDIKI-DHLKQENFSA-N	0	3	439.604	2.419	20	30		IEEDHN
N#Cc1ccc(N2C[C@]3(COCCN(c4ccc(CN5CCCC5)cn4)C3)OCC2=O)cc1	ZINC001164690543	719783753	/nfs/dbraw/zinc/78/37/53/719783753.db2.gz	DNHLLSBAEKFTOY-RUZDIDTESA-N	0	3	447.539	2.188	20	30		IEEDHN
CC(C)N(C)Cc1nnc2n1CCCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001165010317	721718333	/nfs/dbraw/zinc/71/83/33/721718333.db2.gz	GDYNCBAIZPYASK-INIZCTEOSA-N	0	3	440.552	2.267	20	30		IEEDHN
N#C[C@H](c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1)c1ccccc1F	ZINC001164737511	720725576	/nfs/dbraw/zinc/72/55/76/720725576.db2.gz	CCJFMQOUXAZQEN-QKLQHJQFSA-N	0	3	431.475	2.403	20	30		IEEDHN
N#C[C@H](c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1)c1ccccc1F	ZINC001164737513	720725904	/nfs/dbraw/zinc/72/59/04/720725904.db2.gz	CCJFMQOUXAZQEN-ZWOKBUDYSA-N	0	3	431.475	2.403	20	30		IEEDHN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899814	721430148	/nfs/dbraw/zinc/43/01/48/721430148.db2.gz	ZEBMUVHLZJDIKI-RDGATRHJSA-N	0	3	439.604	2.419	20	30		IEEDHN
Cc1cnc2n1CCN(C)C21CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1	ZINC001164919107	721820681	/nfs/dbraw/zinc/82/06/81/721820681.db2.gz	MGXXXQDLNUXUHX-QGZVFWFLSA-N	0	3	437.548	2.372	20	30		IEEDHN
N#C[C@H](c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1)c1ccccc1F	ZINC001164737510	720726459	/nfs/dbraw/zinc/72/64/59/720726459.db2.gz	CCJFMQOUXAZQEN-HLIPFELVSA-N	0	3	431.475	2.403	20	30		IEEDHN
Cc1cnc2n1CCN(C)C21CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1	ZINC001164919106	721820866	/nfs/dbraw/zinc/82/08/66/721820866.db2.gz	MGXXXQDLNUXUHX-KRWDZBQOSA-N	0	3	437.548	2.372	20	30		IEEDHN
N#Cc1ccc(N2C[C@@]3(COCCN(c4ccc(CN5CCCC5)cn4)C3)OCC2=O)cc1	ZINC001164690544	719783946	/nfs/dbraw/zinc/78/39/46/719783946.db2.gz	DNHLLSBAEKFTOY-VWLOTQADSA-N	0	3	447.539	2.188	20	30		IEEDHN
CNC(=O)CN1CCCC12CCN(c1nccc(C#C[Si](C)(C)C)c1C(=O)OC)CC2	ZINC001164684471	719727884	/nfs/dbraw/zinc/72/78/84/719727884.db2.gz	HGYPECYFRXVKTN-UHFFFAOYSA-N	0	3	442.636	2.278	20	30		IEEDHN
N#C[C@H](c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1)c1ccccc1F	ZINC001164737512	720725313	/nfs/dbraw/zinc/72/53/13/720725313.db2.gz	CCJFMQOUXAZQEN-UWVAXJGDSA-N	0	3	431.475	2.403	20	30		IEEDHN