smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1	ZINC000073101633	191279262	/nfs/dbraw/zinc/27/92/62/191279262.db2.gz	JMWCVSRTFYNNJB-KRWDZBQOSA-N	1	1	315.461	2.635	40	10		DFCBMO
CN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1	ZINC000256051594	427304016	/nfs/dbraw/zinc/30/40/16/427304016.db2.gz	JTXXTFSOCSONHN-UHFFFAOYSA-N	1	1	312.339	2.795	40	10		DFCBMO
CN(C)c1ccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cc1	ZINC000256053177	427304087	/nfs/dbraw/zinc/30/40/87/427304087.db2.gz	QJIBYRBDOABSPE-UHFFFAOYSA-N	1	1	312.339	2.801	40	10		DFCBMO
CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1	ZINC000096215502	426407210	/nfs/dbraw/zinc/40/72/10/426407210.db2.gz	ZPINMHSOMGSZCZ-IBGZPJMESA-N	1	1	315.461	2.587	40	10		DFCBMO
CCC(C)(C)c1ccc(O)c(C[N@@H+](C[C@@H](C)O)C[C@H](C)O)c1	ZINC000001724240	425587683	/nfs/dbraw/zinc/58/76/83/425587683.db2.gz	HTXPNHOPRXCELS-OKILXGFUSA-N	1	1	309.450	2.643	40	10		DFCBMO
CCn1cncc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1	ZINC000012143729	425720087	/nfs/dbraw/zinc/72/00/87/425720087.db2.gz	IEDFUDBSSLRZAE-UHFFFAOYSA-N	1	1	314.433	2.624	40	10		DFCBMO
Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2	ZINC000019576601	425790596	/nfs/dbraw/zinc/79/05/96/425790596.db2.gz	JWRJUKOLMZRZSD-UHFFFAOYSA-N	1	1	324.428	2.649	40	10		DFCBMO
Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2	ZINC000019576601	425790604	/nfs/dbraw/zinc/79/06/04/425790604.db2.gz	JWRJUKOLMZRZSD-UHFFFAOYSA-N	1	1	324.428	2.649	40	10		DFCBMO
CN(C)c1ccc([N+](O)=NN2C(=O)c3ccccc3C2=O)cc1	ZINC000104229978	425960854	/nfs/dbraw/zinc/96/08/54/425960854.db2.gz	WRVJZGUSQIYUPM-UHFFFAOYSA-N	1	1	310.313	2.558	40	10		DFCBMO
CC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1	ZINC000096215500	193585381	/nfs/dbraw/zinc/58/53/81/193585381.db2.gz	ZPINMHSOMGSZCZ-LJQANCHMSA-N	1	1	315.461	2.587	40	10		DFCBMO
Cc1cc(N2CCCC2)c(F)cc1C[N@H+]1CC[C@@H](O)[C@H](C)C1	ZINC000036740612	425846257	/nfs/dbraw/zinc/84/62/57/425846257.db2.gz	OHMJHZVAWBCASS-RDTXWAMCSA-N	1	1	306.425	2.937	40	10		DFCBMO
Cc1cc(N2CCCC2)c(F)cc1C[N@H+]1CC[C@H](O)[C@H](C)C1	ZINC000012148144	425719379	/nfs/dbraw/zinc/71/93/79/425719379.db2.gz	OHMJHZVAWBCASS-KDOFPFPSSA-N	1	1	306.425	2.937	40	10		DFCBMO
Cc1cc(N2CCCC2)c(F)cc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1	ZINC000247921713	341371207	/nfs/dbraw/zinc/37/12/07/341371207.db2.gz	OHMJHZVAWBCASS-KBXCAEBGSA-N	1	1	306.425	2.937	40	10		DFCBMO
O=C1OCCN1CC[N@H+](Cc1ccccc1O)C1CCCC1	ZINC000079099984	185158289	/nfs/dbraw/zinc/15/82/89/185158289.db2.gz	XKHGWEWRGPHWCS-UHFFFAOYSA-N	1	1	304.390	2.589	40	10		DFCBMO
COc1ccc2[nH+]c3cc([N+](=O)[O-])ccc3c(NCCO)c2c1	ZINC000006005759	181305145	/nfs/dbraw/zinc/30/51/45/181305145.db2.gz	SRRFTJXVLGVGBA-UHFFFAOYSA-N	1	1	313.313	2.709	40	10		DFCBMO
C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc2c(cc1O)CCC2	ZINC000083864122	542504375	/nfs/dbraw/zinc/50/43/75/542504375.db2.gz	ZGZWVUNKXOXEFI-UHFFFAOYSA-N	1	1	310.397	2.612	40	10		DFCBMO
N#[N+]C=C([O-])[C@](C[NH3+])(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000008618620	534974870	/nfs/dbraw/zinc/97/48/70/534974870.db2.gz	GTFZHAVVZJPHKS-KRWDZBQOSA-N	1	1	313.788	2.649	40	10		DFCBMO
Cc1cc(N2CCCC2)c(F)cc1C[N@H+]1CC[C@H](O)[C@@H](C)C1	ZINC000012148145	398385455	/nfs/dbraw/zinc/38/54/55/398385455.db2.gz	OHMJHZVAWBCASS-KSSFIOAISA-N	1	1	306.425	2.937	40	10		DFCBMO
CC(C)(C)c1cc(Br)c(O)c(C[NH2+]CCO)c1	ZINC000001706325	425584801	/nfs/dbraw/zinc/58/48/01/425584801.db2.gz	WVZUMIUCLQYMSB-UHFFFAOYSA-N	1	1	302.212	2.534	40	10		DFCBMO
C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1	ZINC000073101635	426024504	/nfs/dbraw/zinc/02/45/04/426024504.db2.gz	JMWCVSRTFYNNJB-QGZVFWFLSA-N	1	1	315.461	2.635	40	10		DFCBMO
N#[N+]C=C([O-])[C@@](C[NH3+])(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000004914046	285410454	/nfs/dbraw/zinc/41/04/54/285410454.db2.gz	GTFZHAVVZJPHKS-QGZVFWFLSA-N	1	1	313.788	2.649	40	10		DFCBMO