smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891593	721430982	/nfs/dbraw/zinc/43/09/82/721430982.db2.gz	HETZHXNQPSAMKZ-MHECFPHRSA-N	1	3	441.576	2.505	20	0		IFADHO
CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891592	721430737	/nfs/dbraw/zinc/43/07/37/721430737.db2.gz	HETZHXNQPSAMKZ-KOSHJBKYSA-N	1	3	441.576	2.505	20	0		IFADHO
CN1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907347	721714113	/nfs/dbraw/zinc/71/41/13/721714113.db2.gz	RAJALEUGRAUAOB-QHCPKHFHSA-N	1	3	442.558	2.966	20	0		IFADHO
CN1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907347	721714118	/nfs/dbraw/zinc/71/41/18/721714118.db2.gz	RAJALEUGRAUAOB-QHCPKHFHSA-N	1	3	442.558	2.966	20	0		IFADHO
c1cncc(CN2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2)c1	ZINC001164982277	722134921	/nfs/dbraw/zinc/13/49/21/722134921.db2.gz	RMJTUAAUZAQDET-GOTSBHOMSA-N	1	3	437.588	2.679	20	0		IFADHO
[NH3+]C1CCN(c2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907808	721715836	/nfs/dbraw/zinc/71/58/36/721715836.db2.gz	UHXJVMQRDQSKPI-QFIPXVFZSA-N	1	3	443.546	2.537	20	0		IFADHO
CC(C)N(C)Cc1nn(-c2ncnc3c2CCN(Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619179	/nfs/dbraw/zinc/61/91/79/719619179.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	1	3	431.588	2.707	20	0		IFADHO
CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891591	721430837	/nfs/dbraw/zinc/43/08/37/721430837.db2.gz	HETZHXNQPSAMKZ-HOYKHHGWSA-N	1	3	441.576	2.505	20	0		IFADHO
Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1	ZINC001164906417	721565954	/nfs/dbraw/zinc/56/59/54/721565954.db2.gz	IVIKPPAEVSIBNP-REWPJTCUSA-N	1	3	426.536	2.941	20	0		IFADHO
Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1	ZINC001164906416	721566406	/nfs/dbraw/zinc/56/64/06/721566406.db2.gz	IVIKPPAEVSIBNP-OFNKIYASSA-N	1	3	426.536	2.941	20	0		IFADHO
FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@@]12CCN(Cc1ccccn1)C2	ZINC001164905532	721717786	/nfs/dbraw/zinc/71/77/86/721717786.db2.gz	HDNVVBGTYYNOIK-QFIPXVFZSA-N	1	3	428.531	2.624	20	0		IFADHO
CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891594	721430922	/nfs/dbraw/zinc/43/09/22/721430922.db2.gz	HETZHXNQPSAMKZ-UUOWRZLLSA-N	1	3	441.576	2.505	20	0		IFADHO
Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1	ZINC001164906415	721566563	/nfs/dbraw/zinc/56/65/63/721566563.db2.gz	IVIKPPAEVSIBNP-NZQKXSOJSA-N	1	3	426.536	2.941	20	0		IFADHO
c1cncc(CN2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2)c1	ZINC001164982280	722134947	/nfs/dbraw/zinc/13/49/47/722134947.db2.gz	RMJTUAAUZAQDET-XZOQPEGZSA-N	1	3	437.588	2.679	20	0		IFADHO
CC(C)N(c1cc(CN(C)C)ccn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2	ZINC001164998825	722220652	/nfs/dbraw/zinc/22/06/52/722220652.db2.gz	LTWXAXUGKZAXHG-UHFFFAOYSA-N	1	3	436.604	2.913	20	0		IFADHO
c1cncc(CN2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2)c1	ZINC001164982279	722134786	/nfs/dbraw/zinc/13/47/86/722134786.db2.gz	RMJTUAAUZAQDET-PKTZIBPZSA-N	1	3	437.588	2.679	20	0		IFADHO
CN1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907346	721712707	/nfs/dbraw/zinc/71/27/07/721712707.db2.gz	RAJALEUGRAUAOB-HSZRJFAPSA-N	1	3	442.558	2.966	20	0		IFADHO
CN1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907346	721712712	/nfs/dbraw/zinc/71/27/12/721712712.db2.gz	RAJALEUGRAUAOB-HSZRJFAPSA-N	1	3	442.558	2.966	20	0		IFADHO
c1cncc(CN2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2)c1	ZINC001164982275	722135041	/nfs/dbraw/zinc/13/50/41/722135041.db2.gz	RMJTUAAUZAQDET-DHIUTWEWSA-N	1	3	437.588	2.679	20	0		IFADHO
Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1	ZINC001164906414	721566161	/nfs/dbraw/zinc/56/61/61/721566161.db2.gz	IVIKPPAEVSIBNP-NFBKMPQASA-N	1	3	426.536	2.941	20	0		IFADHO
[NH3+]C1CCN(c2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907807	721714414	/nfs/dbraw/zinc/71/44/14/721714414.db2.gz	UHXJVMQRDQSKPI-JOCHJYFZSA-N	1	3	443.546	2.537	20	0		IFADHO
[NH3+]C1CCN(c2cccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)CC1	ZINC001164698355	719897136	/nfs/dbraw/zinc/89/71/36/719897136.db2.gz	RWZPVHGGOBLXOU-UHFFFAOYSA-N	1	3	427.618	2.942	20	0		IFADHO
FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@]12CCN(Cc1ccccn1)C2	ZINC001164905530	721717480	/nfs/dbraw/zinc/71/74/80/721717480.db2.gz	HDNVVBGTYYNOIK-JOCHJYFZSA-N	1	3	428.531	2.624	20	0		IFADHO