smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCN3CCOCC3)[NH+]3CCCC3)ccc21	ZINC000008964077	569491194	/nfs/dbraw/zinc/49/11/94/569491194.db2.gz	YZNBMQPUTDIRES-OAQYLSRUSA-N	1	0	429.565	0.380	50	10		ICCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCCN3CCOCC3)[NH+]3CCCC3)ccc21	ZINC000008964078	569491146	/nfs/dbraw/zinc/49/11/46/569491146.db2.gz	YZNBMQPUTDIRES-NRFANRHFSA-N	1	0	429.565	0.380	50	10		ICCARO
COc1ccc(N2CC[NH+](CCn3c(C)cn4c3nc3c4c(=O)[nH]c(=O)n3C)CC2)cc1	ZINC000009059688	536699349	/nfs/dbraw/zinc/69/93/49/536699349.db2.gz	DSBGIBVAUACXHR-UHFFFAOYSA-N	1	0	437.504	0.815	50	10		ICCARO
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)c3ccco3)CC2)cc1	ZINC000009828956	132241621	/nfs/dbraw/zinc/24/16/21/132241621.db2.gz	WVLAPMWVHZIEMC-FQEVSTJZSA-N	1	0	443.548	0.946	50	10		ICCARO
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCC[NH+](C)C)c3ccco3)CC2)cc1	ZINC000009828957	132241731	/nfs/dbraw/zinc/24/17/31/132241731.db2.gz	WVLAPMWVHZIEMC-HXUWFJFHSA-N	1	0	443.548	0.946	50	10		ICCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCN3CCOCC3)[NH+]3CCCCC3)ccc21	ZINC000013007941	569306382	/nfs/dbraw/zinc/30/63/82/569306382.db2.gz	JOLXKYJGPUOAQP-JOCHJYFZSA-N	1	0	443.592	0.771	50	10		ICCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCCN3CCOCC3)[NH+]3CCCCC3)ccc21	ZINC000013007944	569306422	/nfs/dbraw/zinc/30/64/22/569306422.db2.gz	JOLXKYJGPUOAQP-QFIPXVFZSA-N	1	0	443.592	0.771	50	10		ICCARO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21	ZINC000016021906	523808294	/nfs/dbraw/zinc/80/82/94/523808294.db2.gz	GMTLGGOKWONVCH-ZMHGRXQUSA-N	1	0	437.452	0.707	50	10		ICCARO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21	ZINC000016021907	556574945	/nfs/dbraw/zinc/57/49/45/556574945.db2.gz	GMTLGGOKWONVCH-HZNUMKHLSA-N	1	0	437.452	0.707	50	10		ICCARO
O=C1c2c(O)ccc(O)c2C(=O)c2c3c(cc(NCC[NH2+]CCO)c21)N(CCO)CCN3	ZINC000019802029	556917802	/nfs/dbraw/zinc/91/78/02/556917802.db2.gz	GJMHXLAWJIOZMT-UHFFFAOYSA-N	1	0	442.472	0.091	50	10	in-vitro	ICCARO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000020548289	523807385	/nfs/dbraw/zinc/80/73/85/523807385.db2.gz	GMTLGGOKWONVCH-JYISGYRJSA-N	1	0	437.452	0.707	50	10		ICCARO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000020548291	523807897	/nfs/dbraw/zinc/80/78/97/523807897.db2.gz	GMTLGGOKWONVCH-NSNOHRKYSA-N	1	0	437.452	0.707	50	10		ICCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022734399	523998224	/nfs/dbraw/zinc/99/82/24/523998224.db2.gz	NNYDYNOYEUPWTB-FPOVZHCZSA-N	1	0	429.565	0.379	50	10		ICCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022734402	523998567	/nfs/dbraw/zinc/99/85/67/523998567.db2.gz	NNYDYNOYEUPWTB-PZJWPPBQSA-N	1	0	429.565	0.379	50	10		ICCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NC[C@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022734405	523998569	/nfs/dbraw/zinc/99/85/69/523998569.db2.gz	NNYDYNOYEUPWTB-CTNGQTDRSA-N	1	0	429.565	0.379	50	10		ICCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NC[C@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022734408	523998493	/nfs/dbraw/zinc/99/84/93/523998493.db2.gz	NNYDYNOYEUPWTB-TZIWHRDSSA-N	1	0	429.565	0.379	50	10		ICCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022735176	523916413	/nfs/dbraw/zinc/91/64/13/523916413.db2.gz	BRJIAGXSKIYPBB-UNMCSNQZSA-N	1	0	443.592	0.769	50	10		ICCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022735179	523920139	/nfs/dbraw/zinc/92/01/39/523920139.db2.gz	BRJIAGXSKIYPBB-RBBKRZOGSA-N	1	0	443.592	0.769	50	10		ICCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC[C@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022735182	523916242	/nfs/dbraw/zinc/91/62/42/523916242.db2.gz	BRJIAGXSKIYPBB-IRLDBZIGSA-N	1	0	443.592	0.769	50	10		ICCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC[C@H]3CCCO3)N3CC[NH+](C)CC3)ccc21	ZINC000022735185	523919958	/nfs/dbraw/zinc/91/99/58/523919958.db2.gz	BRJIAGXSKIYPBB-IFMALSPDSA-N	1	0	443.592	0.769	50	10		ICCARO
CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(CCO)CC2)SC1=S	ZINC000027016716	568937981	/nfs/dbraw/zinc/93/79/81/568937981.db2.gz	RVBJQSUUCNXCFY-WYMLVPIESA-N	1	0	431.543	0.640	50	10		ICCARO
COc1c(O)c(C[N@@H+]2CCC[C@@H](C)C2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189483	569327926	/nfs/dbraw/zinc/32/79/26/569327926.db2.gz	TZEJTLIGOOUPPJ-OZCNJMHKSA-N	1	0	439.461	0.031	50	10	biogenic	ICCARO
COc1c(O)c(C[N@@H+]2CCC[C@H](C)C2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189487	569327918	/nfs/dbraw/zinc/32/79/18/569327918.db2.gz	TZEJTLIGOOUPPJ-TXIZVEKNSA-N	1	0	439.461	0.031	50	10	biogenic	ICCARO
COc1c(O)c(C[NH+]2CCC(C)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079191471	569328048	/nfs/dbraw/zinc/32/80/48/569328048.db2.gz	ORUOEMXUBNEZRA-NSJDZECESA-N	1	0	439.461	0.031	50	10	biogenic	ICCARO
CC1(C)OC(=O)C(=CN[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	ZINC000100751486	556663801	/nfs/dbraw/zinc/66/38/01/556663801.db2.gz	ZYPAWFIMSKABGV-AWEZNQCLSA-N	1	0	448.436	0.475	50	10		ICCARO
CC1(C)OC(=O)C(=CN[C@H](CCCNC(N)=[NH2+])C(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	ZINC000100751488	556664076	/nfs/dbraw/zinc/66/40/76/556664076.db2.gz	ZYPAWFIMSKABGV-CQSZACIVSA-N	1	0	448.436	0.475	50	10		ICCARO
COc1c(O)c(C[NH+]2CCC(C)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622012	569147746	/nfs/dbraw/zinc/14/77/46/569147746.db2.gz	ORUOEMXUBNEZRA-ZYLXAOHQSA-N	1	0	439.461	0.031	50	10		ICCARO
COc1c(O)c(C[NH+]2CCC(C)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622013	569147766	/nfs/dbraw/zinc/14/77/66/569147766.db2.gz	ORUOEMXUBNEZRA-FIABAKSMSA-N	1	0	439.461	0.031	50	10		ICCARO
COc1c(O)c(C[NH+]2CCC(C)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170622014	569147714	/nfs/dbraw/zinc/14/77/14/569147714.db2.gz	ORUOEMXUBNEZRA-KWKYVVQTSA-N	1	0	439.461	0.031	50	10		ICCARO
COc1c(O)c(C[N@@H+]2CCC[C@H](C)C2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622046	569147756	/nfs/dbraw/zinc/14/77/56/569147756.db2.gz	TZEJTLIGOOUPPJ-RPPRCVNYSA-N	1	0	439.461	0.031	50	10		ICCARO
COc1c(O)c(C[N@@H+]2CCC[C@H](C)C2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000223880736	568878006	/nfs/dbraw/zinc/87/80/06/568878006.db2.gz	TZEJTLIGOOUPPJ-WOYOINSBSA-N	1	0	439.461	0.031	50	10		ICCARO
COc1c(O)c(C[N@@H+]2CCC[C@H](C)C2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000225363385	569294147	/nfs/dbraw/zinc/29/41/47/569294147.db2.gz	TZEJTLIGOOUPPJ-PPWAEQEGSA-N	1	0	439.461	0.031	50	10		ICCARO
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000247828280	557280048	/nfs/dbraw/zinc/28/00/48/557280048.db2.gz	GMTLGGOKWONVCH-LEWJJULVSA-N	1	0	437.452	0.707	50	10		ICCARO
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000247828281	557280262	/nfs/dbraw/zinc/28/02/62/557280262.db2.gz	GMTLGGOKWONVCH-LONFEIEESA-N	1	0	437.452	0.707	50	10		ICCARO