smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCO[C@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000237014144	132245425	/nfs/dbraw/zinc/24/54/25/132245425.db2.gz	CJEMSWGFTMIRMT-KRWDZBQOSA-N	0	3	350.438	0.572	50	10		FCCAHN
COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C	ZINC000013008562	487561253	/nfs/dbraw/zinc/56/12/53/487561253.db2.gz	KTBLVPRBVGUMBO-KRWDZBQOSA-N	0	3	362.474	0.551	50	10		FCCAHN
NC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000237898491	488457716	/nfs/dbraw/zinc/45/77/16/488457716.db2.gz	KQJVYEWALQMQOJ-AWEZNQCLSA-N	0	3	363.437	0.642	50	10		FCCAHN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000670460373	493569992	/nfs/dbraw/zinc/56/99/92/493569992.db2.gz	XGLPBUBRWWFCBU-RHSMWYFYSA-N	0	3	368.455	0.786	50	10		FCCAHN
CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000236819379	132231189	/nfs/dbraw/zinc/23/11/89/132231189.db2.gz	RZFOJVOHVMVHEW-MRXNPFEDSA-N	0	3	366.462	0.773	50	10		FCCAHN
CC(=O)N1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H](O)C1	ZINC000091770723	132203757	/nfs/dbraw/zinc/20/37/57/132203757.db2.gz	LWQCMZZFHSQQSR-KRWDZBQOSA-N	0	3	361.442	0.909	50	10		FCCAHN
COc1ccc(N2CCC(N[C@@H]3COCC[C@@H]3OCC(N)=O)CC2)cc1	ZINC000222523916	536670367	/nfs/dbraw/zinc/67/03/67/536670367.db2.gz	DMNOAZHFSRNNCY-MSOLQXFVSA-N	0	3	363.458	0.913	50	10		FCCAHN
CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)CCN2C	ZINC000022733846	206394373	/nfs/dbraw/zinc/39/43/73/206394373.db2.gz	PCESVYKZJCSVIT-SJLPKXTDSA-N	0	3	374.485	0.693	50	10		FCCAHN
CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)CCN2C	ZINC000022733843	487623494	/nfs/dbraw/zinc/62/34/94/487623494.db2.gz	PCESVYKZJCSVIT-AEFFLSMTSA-N	0	3	374.485	0.693	50	10		FCCAHN
NC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000237898409	488457591	/nfs/dbraw/zinc/45/75/91/488457591.db2.gz	KQJVYEWALQMQOJ-CQSZACIVSA-N	0	3	363.437	0.642	50	10		FCCAHN
NC(=O)c1ccc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)nc1	ZINC000237744674	132248622	/nfs/dbraw/zinc/24/86/22/132248622.db2.gz	MXSRXNSDKKNZDU-UHFFFAOYSA-N	0	3	357.389	0.659	50	10		FCCAHN
CCN1CCO[C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000237013940	132245441	/nfs/dbraw/zinc/24/54/41/132245441.db2.gz	CJEMSWGFTMIRMT-QGZVFWFLSA-N	0	3	350.438	0.572	50	10		FCCAHN
CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000236820755	132231514	/nfs/dbraw/zinc/23/15/14/132231514.db2.gz	RZFOJVOHVMVHEW-INIZCTEOSA-N	0	3	366.462	0.773	50	10		FCCAHN
COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C	ZINC000013008559	132865660	/nfs/dbraw/zinc/86/56/60/132865660.db2.gz	KTBLVPRBVGUMBO-QGZVFWFLSA-N	0	3	362.474	0.551	50	10		FCCAHN
CC(=O)N1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H](O)C1	ZINC000091770721	132203810	/nfs/dbraw/zinc/20/38/10/132203810.db2.gz	LWQCMZZFHSQQSR-QGZVFWFLSA-N	0	3	361.442	0.909	50	10		FCCAHN
O=C(NC1CC1)[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CCN1	ZINC000072164624	136143436	/nfs/dbraw/zinc/14/34/36/136143436.db2.gz	KORBAILPIRYYEG-QGZVFWFLSA-N	0	3	372.469	0.937	50	10		FCCAHN
CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CCN2C	ZINC000008963932	487522038	/nfs/dbraw/zinc/52/20/38/487522038.db2.gz	PCESVYKZJCSVIT-WMZOPIPTSA-N	0	3	374.485	0.693	50	10		FCCAHN
Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CC[NH2+]CC3)c(F)c2)cn1C	ZINC000237777858	132248562	/nfs/dbraw/zinc/24/85/62/132248562.db2.gz	VDBLTVKXFILANP-UHFFFAOYSA-N	0	3	367.450	0.756	50	10		FCCAHN
CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CCN2C	ZINC000008963931	487522501	/nfs/dbraw/zinc/52/25/01/487522501.db2.gz	PCESVYKZJCSVIT-FUHWJXTLSA-N	0	3	374.485	0.693	50	10		FCCAHN
CC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(OC)c(COC)c3)CN2C1=O	ZINC000014742427	1183131701	/nfs/dbraw/zinc/13/17/01/1183131701.db2.gz	XHZXHDRMVQSINR-JYJNAYRXSA-N	0	3	361.442	0.809	50	10		FCCAHN
CN(C)S(=O)(=O)CCNC1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067712900	221273880	/nfs/dbraw/zinc/27/38/80/221273880.db2.gz	DSKVNECEDZRJJR-UHFFFAOYSA-N	0	3	355.460	0.865	50	10		FCCAHN
O=C(NC1CC1)[C@@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CCN1	ZINC000072164623	136143568	/nfs/dbraw/zinc/14/35/68/136143568.db2.gz	KORBAILPIRYYEG-KRWDZBQOSA-N	0	3	372.469	0.937	50	10		FCCAHN