smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1)NC1CC1	ZINC000161176307	377339193	/nfs/dbraw/zinc/33/91/93/377339193.db2.gz	ZUWIQVSJGDPNMX-CYBMUJFWSA-N	0	0	347.423	-0.801	10	70		EBIERN
O=C(Cn1nc2ccccn2c1=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000160378828	377866067	/nfs/dbraw/zinc/86/60/67/377866067.db2.gz	CHPIXDFHWCFGOQ-CYBMUJFWSA-N	0	0	331.376	-0.525	10	70		EBIERN
CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161179956	519706575	/nfs/dbraw/zinc/70/65/75/519706575.db2.gz	TXBWFWXOUNTEBC-ZDUSSCGKSA-N	0	0	349.439	-0.555	10	70		EBIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2cnccn2)CC1	ZINC000161037836	527072725	/nfs/dbraw/zinc/07/27/25/527072725.db2.gz	IIMRJIGDFGTLCB-LBPRGKRZSA-N	0	0	328.380	-0.085	10	70		EBIERN
CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161175790	379807778	/nfs/dbraw/zinc/80/77/78/379807778.db2.gz	SGCXPCSRSDVOQN-GFCCVEGCSA-N	0	0	335.412	-0.944	10	70		EBIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cccnn2)CC1	ZINC000161205749	377339232	/nfs/dbraw/zinc/33/92/32/377339232.db2.gz	ZLROKUJZKGLTFC-GFCCVEGCSA-N	0	0	328.380	-0.085	10	70		EBIERN
O=C(Cn1nc2ccccn2c1=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000160378916	377867342	/nfs/dbraw/zinc/86/73/42/377867342.db2.gz	CHPIXDFHWCFGOQ-ZDUSSCGKSA-N	0	0	331.376	-0.525	10	70		EBIERN
CCNC(=O)CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161175918	379807418	/nfs/dbraw/zinc/80/74/18/379807418.db2.gz	SGCXPCSRSDVOQN-LBPRGKRZSA-N	0	0	335.412	-0.944	10	70		EBIERN
O=C(CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1)NC1CC1	ZINC000161176423	377339308	/nfs/dbraw/zinc/33/93/08/377339308.db2.gz	ZUWIQVSJGDPNMX-ZDUSSCGKSA-N	0	0	347.423	-0.801	10	70		EBIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ncccn2)CC1	ZINC000161054571	377337159	/nfs/dbraw/zinc/33/71/59/377337159.db2.gz	FNIKHDCMCPKVTC-LBPRGKRZSA-N	0	0	328.380	-0.085	10	70		EBIERN
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161179839	377338000	/nfs/dbraw/zinc/33/80/00/377338000.db2.gz	TXBWFWXOUNTEBC-CYBMUJFWSA-N	0	0	349.439	-0.555	10	70		EBIERN
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)N1CCOCC1)CC2	ZINC000159369484	378432562	/nfs/dbraw/zinc/43/25/62/378432562.db2.gz	DNHTWRSZNCCUGZ-LLVKDONJSA-N	0	0	329.426	-0.117	10	70		EBIERN
CS(=O)(=O)CCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160578710	154092318	/nfs/dbraw/zinc/09/23/18/154092318.db2.gz	GMUUAMPEBMUXNP-NEPJUHHUSA-N	0	0	325.452	-0.012	10	70		EBIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cnccn2)CC1	ZINC000161037724	377336757	/nfs/dbraw/zinc/33/67/57/377336757.db2.gz	IIMRJIGDFGTLCB-GFCCVEGCSA-N	0	0	328.380	-0.085	10	70		EBIERN
NC(=O)[C@H]1CCCN(C(=O)CN2CCN(Cc3ccncc3)CC2)C1	ZINC000161208246	380900219	/nfs/dbraw/zinc/90/02/19/380900219.db2.gz	PDANNWJIWVIMNG-INIZCTEOSA-N	0	0	345.447	-0.077	10	70		EBIERN
NS(=O)(=O)CCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1	ZINC000160075775	377045472	/nfs/dbraw/zinc/04/54/72/377045472.db2.gz	ASJQNJFOYMEVQD-LURJTMIESA-N	0	0	340.327	-0.062	10	70		EBIERN
NS(=O)(=O)CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1	ZINC000160075899	377047367	/nfs/dbraw/zinc/04/73/67/377047367.db2.gz	ASJQNJFOYMEVQD-ZCFIWIBFSA-N	0	0	340.327	-0.062	10	70		EBIERN
NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(Cc3ccncc3)CC2)C1	ZINC000161208377	380900556	/nfs/dbraw/zinc/90/05/56/380900556.db2.gz	PDANNWJIWVIMNG-MRXNPFEDSA-N	0	0	345.447	-0.077	10	70		EBIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2ncccn2)CC1	ZINC000161054449	526959102	/nfs/dbraw/zinc/95/91/02/526959102.db2.gz	FNIKHDCMCPKVTC-GFCCVEGCSA-N	0	0	328.380	-0.085	10	70		EBIERN
C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cc(=O)[nH]c(N)n1)C2	ZINC000216909101	379680152	/nfs/dbraw/zinc/68/01/52/379680152.db2.gz	HBRMNBYTPUQXCF-VIFPVBQESA-N	0	0	332.364	-0.423	10	70		EBIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2cccnn2)CC1	ZINC000161205815	377339100	/nfs/dbraw/zinc/33/91/00/377339100.db2.gz	ZLROKUJZKGLTFC-LBPRGKRZSA-N	0	0	328.380	-0.085	10	70		EBIERN
CS(=O)(=O)CCS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160578577	295504758	/nfs/dbraw/zinc/50/47/58/295504758.db2.gz	GMUUAMPEBMUXNP-VXGBXAGGSA-N	0	0	325.452	-0.012	10	70		EBIERN
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)N1CCOCC1)CC2	ZINC000159369614	378432771	/nfs/dbraw/zinc/43/27/71/378432771.db2.gz	DNHTWRSZNCCUGZ-NSHDSACASA-N	0	0	329.426	-0.117	10	70		EBIERN
CC(=O)N1CCN(CCNC(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000159698231	379172046	/nfs/dbraw/zinc/17/20/46/379172046.db2.gz	BRILHODYTIQVPE-UHFFFAOYSA-N	0	0	330.392	-0.138	10	70		EBIERN
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cc(=O)[nH]c(N)n1)C2	ZINC000216909070	379680247	/nfs/dbraw/zinc/68/02/47/379680247.db2.gz	HBRMNBYTPUQXCF-SECBINFHSA-N	0	0	332.364	-0.423	10	70		EBIERN