smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)NC	ZINC000009225070	556258965	/nfs/dbraw/zinc/25/89/65/556258965.db2.gz	PBLHFKNKUZLJSR-UHFFFAOYSA-N	0	0	443.551	-0.313	50	10		IBCARN
CCCCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)NC1=S	ZINC000013282733	556501829	/nfs/dbraw/zinc/50/18/29/556501829.db2.gz	ZHASRXLMPUWHLW-HJWRWDBZSA-N	0	0	434.482	-0.774	50	10		IBCARN
CN1C(=O)C(=CNCCCCCCNC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O	ZINC000020791786	523677649	/nfs/dbraw/zinc/67/76/49/523677649.db2.gz	GTCXKSLNRMPCLD-UHFFFAOYSA-N	0	0	448.480	-0.405	50	10		IBCARN
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CCOCC3)ccc21	ZINC000022733966	523997011	/nfs/dbraw/zinc/99/70/11/523997011.db2.gz	GEIORJJMIZGTOX-OAQYLSRUSA-N	0	0	445.564	-0.383	50	10		IBCARN
CN1CCc2cc([C@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CCOCC3)ccc21	ZINC000022733969	523998190	/nfs/dbraw/zinc/99/81/90/523998190.db2.gz	GEIORJJMIZGTOX-NRFANRHFSA-N	0	0	445.564	-0.383	50	10		IBCARN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CCOCC2)cc1	ZINC000022998808	556841302	/nfs/dbraw/zinc/84/13/02/556841302.db2.gz	YXGDIJNIMCJSES-HXUWFJFHSA-N	0	0	433.553	-0.310	50	10		IBCARN
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CCOCC2)cc1	ZINC000022998810	556841285	/nfs/dbraw/zinc/84/12/85/556841285.db2.gz	YXGDIJNIMCJSES-FQEVSTJZSA-N	0	0	433.553	-0.310	50	10		IBCARN
CC(=O)N1CCN(C(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)CC1	ZINC000022998923	556841331	/nfs/dbraw/zinc/84/13/31/556841331.db2.gz	XEPPUPHQIZYYHY-HXUWFJFHSA-N	0	0	431.537	-0.067	50	10		IBCARN
CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)CC1	ZINC000022998925	556841355	/nfs/dbraw/zinc/84/13/55/556841355.db2.gz	XEPPUPHQIZYYHY-FQEVSTJZSA-N	0	0	431.537	-0.067	50	10		IBCARN
COc1ccc(-n2nnnc2CN2CCN(C(=O)CSc3nnnn3C)CC2)cc1	ZINC000023134925	557017699	/nfs/dbraw/zinc/01/76/99/557017699.db2.gz	HOHRBHHDBJACOC-UHFFFAOYSA-N	0	0	430.498	-0.369	50	10		IBCARN
COc1ccc(N2CCN(C(=O)c3cc(=O)n(C)c4c3c(=O)n(C)c(=O)n4C)CC2)cc1	ZINC000035422453	524418707	/nfs/dbraw/zinc/41/87/07/524418707.db2.gz	PZLYUGJQQFINKB-UHFFFAOYSA-N	0	0	439.472	-0.093	50	10		IBCARN
COC(=O)Cn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056895995	563142693	/nfs/dbraw/zinc/14/26/93/563142693.db2.gz	RRQMPJBWFUTHPP-UHFFFAOYSA-N	0	0	442.476	-0.073	50	10		IBCARN
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CC(N)=O)CC2)cc1	ZINC000057010926	569429130	/nfs/dbraw/zinc/42/91/30/569429130.db2.gz	OMFAZHUFMJRNNF-UHFFFAOYSA-N	0	0	441.492	-0.750	50	10		IBCARN
COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CC(N)=O)CC2)cc1	ZINC000057388153	569433034	/nfs/dbraw/zinc/43/30/34/569433034.db2.gz	ZQKPSCPJWGEQOR-UHFFFAOYSA-N	0	0	427.465	-0.761	50	10		IBCARN
COc1c(O)c(CN2CCSCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079194737	569328268	/nfs/dbraw/zinc/32/82/68/569328268.db2.gz	ZTUNNYRKNQBCRN-HBPTYVBASA-N	0	0	443.474	-0.652	50	10	biogenic	IBCARN
COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000097141133	556992548	/nfs/dbraw/zinc/99/25/48/556992548.db2.gz	HHIQWTJSGMLGJX-QGZVFWFLSA-N	0	0	425.507	-0.384	50	10		IBCARN
COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000097141135	556992590	/nfs/dbraw/zinc/99/25/90/556992590.db2.gz	HHIQWTJSGMLGJX-KRWDZBQOSA-N	0	0	425.507	-0.384	50	10		IBCARN