smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1	ZINC001236310893	825526610	/nfs/dbraw/zinc/52/66/10/825526610.db2.gz	AVOIABPIMGGSQC-UHFFFAOYSA-N	3	2	293.415	-0.115	20	10		CBCDLP
Nc1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1	ZINC001236310893	825526614	/nfs/dbraw/zinc/52/66/14/825526614.db2.gz	AVOIABPIMGGSQC-UHFFFAOYSA-N	3	2	293.415	-0.115	20	10		CBCDLP
COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(O)c1O	ZINC001206465306	884758226	/nfs/dbraw/zinc/75/82/26/884758226.db2.gz	ZPIXGOCCFGKLLF-GXSJLCMTSA-N	2	2	268.313	-0.142	20	10		CBCDLP
COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(O)c1O	ZINC001206465306	884758235	/nfs/dbraw/zinc/75/82/35/884758235.db2.gz	ZPIXGOCCFGKLLF-GXSJLCMTSA-N	2	2	268.313	-0.142	20	10		CBCDLP
COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(O)c1O	ZINC001206513218	824401345	/nfs/dbraw/zinc/40/13/45/824401345.db2.gz	ZPIXGOCCFGKLLF-ONGXEEELSA-N	2	2	268.313	-0.142	20	10		CBCDLP
COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(O)c1O	ZINC001206513218	824401348	/nfs/dbraw/zinc/40/13/48/824401348.db2.gz	ZPIXGOCCFGKLLF-ONGXEEELSA-N	2	2	268.313	-0.142	20	10		CBCDLP
O=C(NCc1ccccc1O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2	ZINC001219923144	824914916	/nfs/dbraw/zinc/91/49/16/824914916.db2.gz	DEHIBBSYULRYPR-FZMZJTMJSA-N	2	2	261.325	-0.040	20	10		CBCDLP
O=C(NCc1ccccc1O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2	ZINC001219923145	824915277	/nfs/dbraw/zinc/91/52/77/824915277.db2.gz	DEHIBBSYULRYPR-RISCZKNCSA-N	2	2	261.325	-0.040	20	10		CBCDLP
N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccccc1O	ZINC001219923423	824916674	/nfs/dbraw/zinc/91/66/74/824916674.db2.gz	MHBZMWKWAVFXQN-CYBMUJFWSA-N	2	2	292.383	-0.241	20	10		CBCDLP
C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](C[NH3+])C1	ZINC000834299368	583119713	/nfs/dbraw/zinc/11/97/13/583119713.db2.gz	PSSYBIISIWWOFF-ZDUSSCGKSA-N	2	2	262.357	-0.087	20	10		CBCDLP
C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](C[NH3+])C1	ZINC000834299368	583119715	/nfs/dbraw/zinc/11/97/15/583119715.db2.gz	PSSYBIISIWWOFF-ZDUSSCGKSA-N	2	2	262.357	-0.087	20	10		CBCDLP
CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1	ZINC000844226001	583261403	/nfs/dbraw/zinc/26/14/03/583261403.db2.gz	YMIKGAZLPAZXDB-CQSZACIVSA-N	2	2	294.399	-0.380	20	10		CBCDLP
CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1	ZINC000844226001	583261407	/nfs/dbraw/zinc/26/14/07/583261407.db2.gz	YMIKGAZLPAZXDB-CQSZACIVSA-N	2	2	294.399	-0.380	20	10		CBCDLP
O=C(NCc1ccccc1O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2	ZINC001219923143	824914512	/nfs/dbraw/zinc/91/45/12/824914512.db2.gz	DEHIBBSYULRYPR-BXUZGUMPSA-N	2	2	261.325	-0.040	20	10		CBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)C[NH3+])CC2)cc1	ZINC000269288000	352465940	/nfs/dbraw/zinc/46/59/40/352465940.db2.gz	JIQLNVIHLFTGJY-UHFFFAOYSA-N	2	2	292.383	-0.108	20	10		CBCDLP
C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C[NH3+])C1	ZINC000834299365	583119673	/nfs/dbraw/zinc/11/96/73/583119673.db2.gz	PSSYBIISIWWOFF-CYBMUJFWSA-N	2	2	262.357	-0.087	20	10		CBCDLP
C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C[NH3+])C1	ZINC000834299365	583119675	/nfs/dbraw/zinc/11/96/75/583119675.db2.gz	PSSYBIISIWWOFF-CYBMUJFWSA-N	2	2	262.357	-0.087	20	10		CBCDLP
[NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2cccc(O)c2C1	ZINC001160872370	815681772	/nfs/dbraw/zinc/68/17/72/815681772.db2.gz	KUUFSZYSGTUKHU-JQWIXIFHSA-N	2	2	261.325	-0.176	20	10		CBCDLP
O=C(NCc1ccccc1O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1	ZINC001219923755	824917313	/nfs/dbraw/zinc/91/73/13/824917313.db2.gz	ZYEKBBDMHJWETQ-SDDRHHMPSA-N	2	2	261.325	-0.042	20	10		CBCDLP
O=C(NCc1ccccc1O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2	ZINC001219923146	824915412	/nfs/dbraw/zinc/91/54/12/824915412.db2.gz	DEHIBBSYULRYPR-SMDDNHRTSA-N	2	2	261.325	-0.040	20	10		CBCDLP
Oc1cc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1O	ZINC001235064302	825485797	/nfs/dbraw/zinc/48/57/97/825485797.db2.gz	WSISBMGVTXNBOT-AWEZNQCLSA-N	2	2	279.340	-0.059	20	10		CBCDLP
Oc1cc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1O	ZINC001235064302	825485802	/nfs/dbraw/zinc/48/58/02/825485802.db2.gz	WSISBMGVTXNBOT-AWEZNQCLSA-N	2	2	279.340	-0.059	20	10		CBCDLP
[NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)C1	ZINC001220490279	825047894	/nfs/dbraw/zinc/04/78/94/825047894.db2.gz	ZTMYDOIOAFUSFK-BDAKNGLRSA-N	2	2	279.296	-0.914	20	10		CBCDLP
Oc1cc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1O	ZINC001235064307	825485878	/nfs/dbraw/zinc/48/58/78/825485878.db2.gz	WSISBMGVTXNBOT-CQSZACIVSA-N	2	2	279.340	-0.059	20	10		CBCDLP
Oc1cc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1O	ZINC001235064307	825485891	/nfs/dbraw/zinc/48/58/91/825485891.db2.gz	WSISBMGVTXNBOT-CQSZACIVSA-N	2	2	279.340	-0.059	20	10		CBCDLP
[NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3cccc(O)c3C2)C1	ZINC001160872677	815681983	/nfs/dbraw/zinc/68/19/83/815681983.db2.gz	OYHAMYVNHDKURK-PWSUYJOCSA-N	2	2	261.325	-0.034	20	10		CBCDLP
N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccccc1O	ZINC001219923424	824917372	/nfs/dbraw/zinc/91/73/72/824917372.db2.gz	MHBZMWKWAVFXQN-ZDUSSCGKSA-N	2	2	292.383	-0.241	20	10		CBCDLP
[NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1	ZINC001160925359	815688820	/nfs/dbraw/zinc/68/88/20/815688820.db2.gz	YNFXBJFJJHRPET-RYUDHWBXSA-N	2	2	291.351	-0.081	20	10		CBCDLP
CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1	ZINC000844226000	583261349	/nfs/dbraw/zinc/26/13/49/583261349.db2.gz	YMIKGAZLPAZXDB-AWEZNQCLSA-N	2	2	294.399	-0.380	20	10		CBCDLP
CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1	ZINC000844226000	583261351	/nfs/dbraw/zinc/26/13/51/583261351.db2.gz	YMIKGAZLPAZXDB-AWEZNQCLSA-N	2	2	294.399	-0.380	20	10		CBCDLP