smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C	ZINC000008963960	395685062	/nfs/dbraw/zinc/68/50/62/395685062.db2.gz	YBMLRNRKLNUAGS-CQSZACIVSA-N	0	3	304.394	0.144	50	10		DCCAHN
CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000005340454	285474629	/nfs/dbraw/zinc/47/46/29/285474629.db2.gz	FDOLSVLMSCRDIX-CQSZACIVSA-N	0	3	306.410	0.608	50	10		DCCAHN
CN1C(=O)C(=CNCCN2CCCCC2)C(=O)N(C)C1=S	ZINC000019948962	182169197	/nfs/dbraw/zinc/16/91/97/182169197.db2.gz	NFDXEFWQTSNSHS-UHFFFAOYSA-N	0	3	310.423	0.161	50	10		DCCAHN
Cn1cc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)cn1	ZINC000095970942	415568580	/nfs/dbraw/zinc/56/85/80/415568580.db2.gz	BFGGQLFQOPQJBQ-UHFFFAOYSA-N	0	3	317.368	0.899	50	10		DCCAHN
COc1ccc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)c([O-])c1	ZINC000072133132	191044205	/nfs/dbraw/zinc/04/42/05/191044205.db2.gz	BFBQWDALORNDHI-INIZCTEOSA-N	0	3	308.378	0.592	50	10		DCCAHN
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)N(C)C)cc1	ZINC000005340459	181231832	/nfs/dbraw/zinc/23/18/32/181231832.db2.gz	NCNHQHHUSDWPOZ-HNNXBMFYSA-N	0	3	318.421	0.750	50	10		DCCAHN
CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000005340455	279557901	/nfs/dbraw/zinc/55/79/01/279557901.db2.gz	CZYBCQMXIIQQSY-HNNXBMFYSA-N	0	3	320.437	0.996	50	10		DCCAHN
CN(C)c1ccc(CNCCNC(=O)c2nonc2N)cc1	ZINC000002325836	395681443	/nfs/dbraw/zinc/68/14/43/395681443.db2.gz	FOTYRQLLPIGYBR-UHFFFAOYSA-N	0	3	304.354	0.237	50	10		DCCAHN
CN(C)CCN1C[C@@H](C(=O)NCc2ccc(O)cc2O)CC1=O	ZINC000095354417	415552615	/nfs/dbraw/zinc/55/26/15/415552615.db2.gz	WQAXXRXOWWDHAO-LBPRGKRZSA-N	0	3	321.377	0.124	50	10		DCCAHN
CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000005340212	283356664	/nfs/dbraw/zinc/35/66/64/283356664.db2.gz	UWMRJHRIHCHZFU-OAHLLOKOSA-N	0	3	320.437	0.998	50	10		DCCAHN
CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000005340456	415133529	/nfs/dbraw/zinc/13/35/29/415133529.db2.gz	CZYBCQMXIIQQSY-OAHLLOKOSA-N	0	3	320.437	0.996	50	10		DCCAHN
CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000005340210	283356606	/nfs/dbraw/zinc/35/66/06/283356606.db2.gz	UWMRJHRIHCHZFU-HNNXBMFYSA-N	0	3	320.437	0.998	50	10		DCCAHN
CN(C)CCN1C[C@H](C(=O)NCc2ccc(O)cc2O)CC1=O	ZINC000095354416	415552501	/nfs/dbraw/zinc/55/25/01/415552501.db2.gz	WQAXXRXOWWDHAO-GFCCVEGCSA-N	0	3	321.377	0.124	50	10		DCCAHN
NC(=O)[C@H](CO)NC1CCN(c2ccc3c(c2)CCC3)CC1	ZINC001506417975	1017263554	/nfs/dbraw/zinc/26/35/54/1017263554.db2.gz	MZAGMXZVCWPCAL-INIZCTEOSA-N	0	3	303.406	0.580	50	10		DCCAHN
CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C	ZINC000008963959	395685009	/nfs/dbraw/zinc/68/50/09/395685009.db2.gz	YBMLRNRKLNUAGS-AWEZNQCLSA-N	0	3	304.394	0.144	50	10		DCCAHN
COc1cccc(CN2CCC(NS(C)(=O)=O)CC2)c1O	ZINC000065430507	184343754	/nfs/dbraw/zinc/34/37/54/184343754.db2.gz	CESCZPOUWSHHQS-UHFFFAOYSA-N	0	3	314.407	0.914	50	10		DCCAHN
COc1ccc(O)c(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1	ZINC000039429764	183017989	/nfs/dbraw/zinc/01/79/89/183017989.db2.gz	TWHYRNUWXJULRC-HOCLYGCPSA-N	0	3	308.378	0.278	50	10		DCCAHN
CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000005340453	285474767	/nfs/dbraw/zinc/47/47/67/285474767.db2.gz	FDOLSVLMSCRDIX-AWEZNQCLSA-N	0	3	306.410	0.608	50	10		DCCAHN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)N(C)C)cc1	ZINC000005340457	181231784	/nfs/dbraw/zinc/23/17/84/181231784.db2.gz	NCNHQHHUSDWPOZ-OAHLLOKOSA-N	0	3	318.421	0.750	50	10		DCCAHN
COc1ccc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)c([O-])c1	ZINC000072133131	191044272	/nfs/dbraw/zinc/04/42/72/191044272.db2.gz	BFBQWDALORNDHI-MRXNPFEDSA-N	0	3	308.378	0.592	50	10		DCCAHN