smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000004098011	560195205	/nfs/dbraw/zinc/19/52/05/560195205.db2.gz	BZIKDLPHKDIUHH-PCYHDRSOSA-N	1	3	475.633	5.113	10	0	in-vitro	JKAEHO
C[NH2+]CCc1c2ccccc2[nH]c1[C@@H]1[C@@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CCN3C	ZINC000004097888	560195155	/nfs/dbraw/zinc/19/51/55/560195155.db2.gz	PHMBUGRSZKDHNS-QGEDZZHQSA-N	1	3	480.700	6.031	10	0	in-vitro	JKAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](N)c1ccc(OCc2ccccc2)cc1	ZINC000077273044	569705364	/nfs/dbraw/zinc/70/53/64/569705364.db2.gz	KVFFIPPYDYAULM-BXGNMYTQSA-N	1	3	473.665	5.547	10	0	in-vitro	JKAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](N)c1ccc(OCc2ccccc2)cc1	ZINC000077273044	569705365	/nfs/dbraw/zinc/70/53/65/569705365.db2.gz	KVFFIPPYDYAULM-BXGNMYTQSA-N	1	3	473.665	5.547	10	0	in-vitro	JKAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1	ZINC000077273044	569705366	/nfs/dbraw/zinc/70/53/66/569705366.db2.gz	KVFFIPPYDYAULM-BXGNMYTQSA-N	1	3	473.665	5.547	10	0	in-vitro	JKAEHO
COc1cccc(C[C@@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)[N@H+](C)Cc2ccncc2)c1	ZINC000011790147	555825640	/nfs/dbraw/zinc/82/56/40/555825640.db2.gz	QDEYCUDENKAVDF-HKBQPEDESA-N	1	3	495.671	5.231	10	0		JKAEHO
COc1cccc(C[C@@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)[N@@H+](C)Cc2ccncc2)c1	ZINC000011790147	555825644	/nfs/dbraw/zinc/82/56/44/555825644.db2.gz	QDEYCUDENKAVDF-HKBQPEDESA-N	1	3	495.671	5.231	10	0		JKAEHO
CN1CCC(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)CC1	ZINC000014993739	523272523	/nfs/dbraw/zinc/27/25/23/523272523.db2.gz	UJVSRSNTIPAUEX-SANMLTNESA-N	1	3	499.699	5.431	10	0		JKAEHO
CN1CCC(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)CC1	ZINC000014993739	523272531	/nfs/dbraw/zinc/27/25/31/523272531.db2.gz	UJVSRSNTIPAUEX-SANMLTNESA-N	1	3	499.699	5.431	10	0		JKAEHO
COc1cccc(C[C@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)[N@H+](C)Cc2ccncc2)c1	ZINC000011790148	555825675	/nfs/dbraw/zinc/82/56/75/555825675.db2.gz	QDEYCUDENKAVDF-WJOKGBTCSA-N	1	3	495.671	5.231	10	0		JKAEHO
COc1cccc(C[C@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)[N@@H+](C)Cc2ccncc2)c1	ZINC000011790148	555825676	/nfs/dbraw/zinc/82/56/76/555825676.db2.gz	QDEYCUDENKAVDF-WJOKGBTCSA-N	1	3	495.671	5.231	10	0		JKAEHO
COc1cccc(-c2nc3cc(Cl)ccc3cc2CNC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1OC	ZINC000064609605	569622962	/nfs/dbraw/zinc/62/29/62/569622962.db2.gz	RHENZTAMNRYXLL-NBGIEHNGSA-N	1	3	480.052	5.927	10	0		JKAEHO
COc1cccc(-c2nc3cc(Cl)ccc3cc2CNC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1OC	ZINC000064609605	569622963	/nfs/dbraw/zinc/62/29/63/569622963.db2.gz	RHENZTAMNRYXLL-NBGIEHNGSA-N	1	3	480.052	5.927	10	0		JKAEHO
COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	ZINC000020876355	195236109	/nfs/dbraw/zinc/23/61/09/195236109.db2.gz	TVTJDIIEUMVRBV-UHFFFAOYSA-N	1	3	476.242	5.385	10	0		JKAEHO
CN1CCC(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)CC1	ZINC000014993737	523271622	/nfs/dbraw/zinc/27/16/22/523271622.db2.gz	UJVSRSNTIPAUEX-AREMUKBSSA-N	1	3	499.699	5.431	10	0		JKAEHO
CN1CCC(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)CC1	ZINC000014993737	523271635	/nfs/dbraw/zinc/27/16/35/523271635.db2.gz	UJVSRSNTIPAUEX-AREMUKBSSA-N	1	3	499.699	5.431	10	0		JKAEHO
CC1=C[C@H]2[C@@H]([C@@H](c3[nH]c4ccccc4c3CC[NH+](C)C)[C@]34CCN(C)[C@]23Nc2ccccc24)C(C)(C)C1	ZINC000004097861	560194966	/nfs/dbraw/zinc/19/49/66/560194966.db2.gz	RTHNIWHULJBNTJ-BXFVMDGOSA-N	1	3	494.727	6.373	10	0	in-vitro	JKAEHO
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000004102226	560196678	/nfs/dbraw/zinc/19/66/78/560196678.db2.gz	AVJZNOIWPGXYKM-LXFCCGDJSA-N	1	3	459.634	5.408	10	0	in-vitro	JKAEHO