smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3ccccn3)CC2)CC1	ZINC000020465651	575368038	/nfs/dbraw/zinc/36/80/38/575368038.db2.gz	FOBZFFMDHQNRCA-YXYSEUPNSA-N	1	3	405.543	-0.623	40	0	biogenic,in-vitro	HBABHO
CN1[C@@H]2CCN(C3CC[NH+](C)CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1	ZINC000022923279	291164947	/nfs/dbraw/zinc/16/49/47/291164947.db2.gz	SATKHVNCMMZPHT-NSHGMRRFSA-N	1	3	407.559	-0.407	40	0	biogenic,in-vitro	HBABHO
CN1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C3CC[NH+](C)CC3)N2C)CC1	ZINC000022923472	291164963	/nfs/dbraw/zinc/16/49/63/291164963.db2.gz	MVJABNIWOYMNMA-ZVDOUQERSA-N	1	3	420.602	-0.492	40	0	biogenic,in-vitro	HBABHO
CN1CCC([N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(C)CC2)N3C)CC1	ZINC000022923472	291164961	/nfs/dbraw/zinc/16/49/61/291164961.db2.gz	MVJABNIWOYMNMA-ZVDOUQERSA-N	1	3	420.602	-0.492	40	0	biogenic,in-vitro	HBABHO
CN1CCC([N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(C)CC2)N3C)CC1	ZINC000022923472	291164959	/nfs/dbraw/zinc/16/49/59/291164959.db2.gz	MVJABNIWOYMNMA-ZVDOUQERSA-N	1	3	420.602	-0.492	40	0	biogenic,in-vitro	HBABHO
Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNC4CC[NH+](C)CC4)[C@@H](O)[C@H]3O2)cn1	ZINC000225517327	291165075	/nfs/dbraw/zinc/16/50/75/291165075.db2.gz	VVONWXMYFJIBSV-PNDFQMOFSA-N	1	3	407.515	-0.604	40	0	biogenic,in-vitro	HBABHO
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000225520421	291164985	/nfs/dbraw/zinc/16/49/85/291164985.db2.gz	MHMJCLVIRSJWAD-AFJOWOCMSA-N	1	3	407.515	-0.604	40	0	biogenic,in-vitro	HBABHO
C[C@]1(O)COC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)C[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257272081	568796185	/nfs/dbraw/zinc/79/61/85/568796185.db2.gz	NAZVUHWQXZJWPR-DOXZYTNZSA-N	1	3	423.514	-0.521	40	0		HBABHO
C[C@]1(O)COC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)C[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257272082	568796173	/nfs/dbraw/zinc/79/61/73/568796173.db2.gz	NAZVUHWQXZJWPR-VCBZYWHSSA-N	1	3	423.514	-0.521	40	0		HBABHO
CN1CCN(C[C@]2(O)CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)CC1	ZINC000257277376	568797846	/nfs/dbraw/zinc/79/78/46/568797846.db2.gz	NXSRXYISZWVGPE-NRFANRHFSA-N	1	3	409.575	-0.435	40	0		HBABHO
CN1CCN(C[C@@]2(O)CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)CC1	ZINC000257277377	568797718	/nfs/dbraw/zinc/79/77/18/568797718.db2.gz	NXSRXYISZWVGPE-OAQYLSRUSA-N	1	3	409.575	-0.435	40	0		HBABHO
CN1CCN(C[C@]2(O)CCCN(C(=O)C3CC[NH+](CCC(N)=O)CC3)CC2)CC1	ZINC000257293142	568802459	/nfs/dbraw/zinc/80/24/59/568802459.db2.gz	QOHVQYTUPNKRBN-NRFANRHFSA-N	1	3	409.575	-0.435	40	0		HBABHO
CN1CCN(C[C@@]2(O)CCCN(C(=O)C3CC[NH+](CCC(N)=O)CC3)CC2)CC1	ZINC000257293143	568802431	/nfs/dbraw/zinc/80/24/31/568802431.db2.gz	QOHVQYTUPNKRBN-OAQYLSRUSA-N	1	3	409.575	-0.435	40	0		HBABHO
C[C@]1(O)CC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)OC[C@@H]1n1ccc(N)nc1=O	ZINC000257303575	568805435	/nfs/dbraw/zinc/80/54/35/568805435.db2.gz	SHTKDEZLNQUVDZ-VCBZYWHSSA-N	1	3	422.530	-0.645	40	0		HBABHO
C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257304334	568805840	/nfs/dbraw/zinc/80/58/40/568805840.db2.gz	SLCLFORQYQQPSY-DOXZYTNZSA-N	1	3	423.514	-0.521	40	0		HBABHO
C[C@]1(O)CC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257304335	568805904	/nfs/dbraw/zinc/80/59/04/568805904.db2.gz	SLCLFORQYQQPSY-VCBZYWHSSA-N	1	3	423.514	-0.521	40	0		HBABHO
C[C@]1(O)COC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)C[C@@H]1n1ccc(N)nc1=O	ZINC000257320132	568810446	/nfs/dbraw/zinc/81/04/46/568810446.db2.gz	VVMKDGSAXIBDKV-DOXZYTNZSA-N	1	3	422.530	-0.645	40	0		HBABHO