smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[N@H+](CC2CCCCC2)C1	ZINC000012246540	558361681	/nfs/dbraw/zinc/36/16/81/558361681.db2.gz	KHYDPOVSUZHTMP-UXHICEINSA-N	2	0	419.639	2.700	10	0		HFAERP
CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](CCC[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000001532447	560181816	/nfs/dbraw/zinc/18/18/16/560181816.db2.gz	WTQHFOVGYYYXQG-GOTSBHOMSA-N	2	0	418.541	2.914	10	0	in-vitro	HFAERP
C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCC[NH+]1CCCCC1	ZINC000012455948	558417077	/nfs/dbraw/zinc/41/70/77/558417077.db2.gz	ATGBETLJXRKIHH-XZOQPEGZSA-N	2	0	400.611	2.821	10	0		HFAERP
C[NH+](C)Cc1csc(CN2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)c1	ZINC000012717057	558455784	/nfs/dbraw/zinc/45/57/84/558455784.db2.gz	QWEPOIFXKMSZRZ-UHFFFAOYSA-N	2	0	404.624	2.765	10	0		HFAERP
CC(C)[NH2+]C[C@H](O)COc1ccccc1-c1ccccc1OC[C@@H](O)C[NH2+]C(C)C	ZINC000004655721	557576447	/nfs/dbraw/zinc/57/64/47/557576447.db2.gz	PXRIZNRNFALWJR-PMACEKPBSA-N	2	0	416.562	2.829	10	0		HFAERP
COc1ccc(C[NH2+]CCOc2ccccc2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000012432647	568722450	/nfs/dbraw/zinc/72/24/50/568722450.db2.gz	LVYYPBTULXHNFT-HXUWFJFHSA-N	2	0	400.519	2.699	10	0		HFAERP
COc1ccc(C[NH2+]CCOc2ccccc2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000012432646	568722518	/nfs/dbraw/zinc/72/25/18/568722518.db2.gz	LVYYPBTULXHNFT-FQEVSTJZSA-N	2	0	400.519	2.699	10	0		HFAERP
CC[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600435	521688806	/nfs/dbraw/zinc/68/88/06/521688806.db2.gz	QMVRKSWAFIILPC-XMMPIXPASA-N	2	0	409.574	2.622	10	0		HFAERP
CC(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1OC[C@H](O)C[NH2+]C(C)C	ZINC000004655720	557576495	/nfs/dbraw/zinc/57/64/95/557576495.db2.gz	PXRIZNRNFALWJR-WOJBJXKFSA-N	2	0	416.562	2.829	10	0		HFAERP
CC[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600434	521688949	/nfs/dbraw/zinc/68/89/49/521688949.db2.gz	QMVRKSWAFIILPC-DEOSSOPVSA-N	2	0	409.574	2.622	10	0		HFAERP
CC(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1OC[C@@H](O)C[NH2+]C(C)C	ZINC000004655719	557576413	/nfs/dbraw/zinc/57/64/13/557576413.db2.gz	PXRIZNRNFALWJR-BGYRXZFFSA-N	2	0	416.562	2.829	10	0		HFAERP
CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000020600382	519844647	/nfs/dbraw/zinc/84/46/47/519844647.db2.gz	XWCZFAZQUIEQNG-UNMCSNQZSA-N	2	0	404.574	2.757	10	0		HFAERP
C[NH+](C)CCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1	ZINC000015673491	291220211	/nfs/dbraw/zinc/22/02/11/291220211.db2.gz	DABMEXVWSZZGFU-ROUUACIJSA-N	2	0	416.591	2.803	10	0		HFAERP