smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(C)c(C)c2)[nH+]1	ZINC000216850796	241214861	/nfs/dbraw/zinc/21/48/61/241214861.db2.gz	RUJRHJBECNFBNV-UHFFFAOYSA-N	2	2	343.500	3.311	40	70		EGIBLP
CSc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(C)cc2C)[nH+]1	ZINC000216850718	241215070	/nfs/dbraw/zinc/21/50/70/241215070.db2.gz	GEVYBQSMHNCWPJ-UHFFFAOYSA-N	2	2	343.500	3.311	40	70		EGIBLP
CSc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(C)[nH+]1	ZINC000216850399	241215056	/nfs/dbraw/zinc/21/50/56/241215056.db2.gz	WNZYFAYMTOPUEX-UHFFFAOYSA-N	2	2	329.473	3.002	40	70		EGIBLP
Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(F)c(Cl)c2)[nH+]1	ZINC000216849449	241215264	/nfs/dbraw/zinc/21/52/64/241215264.db2.gz	ZTFVOZMUNXATTA-UHFFFAOYSA-N	2	2	335.814	3.073	40	70		EGIBLP
Clc1ccc([C@H]2CN(CCn3cc[nH+]c3)CCO2)cc1Cl	ZINC000159797389	225280223	/nfs/dbraw/zinc/28/02/23/225280223.db2.gz	XOGMVUKLZCHYEJ-OAHLLOKOSA-N	2	2	326.227	3.263	40	70		EGIBLP
Clc1ccc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)cc1Cl	ZINC000159797389	225280228	/nfs/dbraw/zinc/28/02/28/225280228.db2.gz	XOGMVUKLZCHYEJ-OAHLLOKOSA-N	2	2	326.227	3.263	40	70		EGIBLP
Clc1ccc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)cc1Cl	ZINC000159797389	225280230	/nfs/dbraw/zinc/28/02/30/225280230.db2.gz	XOGMVUKLZCHYEJ-OAHLLOKOSA-N	2	2	326.227	3.263	40	70		EGIBLP
Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(C(C)C)cc2)[nH+]1	ZINC000216848683	241215546	/nfs/dbraw/zinc/21/55/46/241215546.db2.gz	SGZJEPJHFPILCL-UHFFFAOYSA-N	2	2	325.460	3.404	40	70		EGIBLP
Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)cc1Cl	ZINC000216849219	241214904	/nfs/dbraw/zinc/21/49/04/241214904.db2.gz	LCRXKLSCRZWDCX-UHFFFAOYSA-N	2	2	331.851	3.242	40	70		EGIBLP
CSc1cccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)c1	ZINC000216850101	241216530	/nfs/dbraw/zinc/21/65/30/241216530.db2.gz	JRVZWGIFXQTILW-UHFFFAOYSA-N	2	2	329.473	3.002	40	70		EGIBLP
CSc1nc(N2CC[NH+](C)CC2)cc(Nc2cc(C)ccc2C)[nH+]1	ZINC000216850757	241215387	/nfs/dbraw/zinc/21/53/87/241215387.db2.gz	DPGCIUINPPWLGO-UHFFFAOYSA-N	2	2	343.500	3.311	40	70		EGIBLP
CSc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(C)cc2)[nH+]1	ZINC000216850636	241214669	/nfs/dbraw/zinc/21/46/69/241214669.db2.gz	IACJTAURNRZCQU-UHFFFAOYSA-N	2	2	329.473	3.002	40	70		EGIBLP
CCc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)[nH+]2)cc1	ZINC000216850906	536190434	/nfs/dbraw/zinc/19/04/34/536190434.db2.gz	DMESONQSGNICQY-UHFFFAOYSA-N	2	2	343.500	3.256	40	70		EGIBLP
Cc1cc(Cl)ccc1Nc1cc(N2CC[NH+](C)CC2)nc(C)[nH+]1	ZINC000216849180	241216044	/nfs/dbraw/zinc/21/60/44/241216044.db2.gz	YVTPSKKIUWWDGX-UHFFFAOYSA-N	2	2	331.851	3.242	40	70		EGIBLP
Cc1nc(N2CC[NH+](C)CC2)cc(Nc2cccc3ccccc32)[nH+]1	ZINC000216848728	241215951	/nfs/dbraw/zinc/21/59/51/241215951.db2.gz	CPTBENNWYLMJHN-UHFFFAOYSA-N	2	2	333.439	3.434	40	70		EGIBLP
Clc1ccc([C@@H]2CN(CCn3cc[nH+]c3)CCO2)cc1Cl	ZINC000159797277	225279206	/nfs/dbraw/zinc/27/92/06/225279206.db2.gz	XOGMVUKLZCHYEJ-HNNXBMFYSA-N	2	2	326.227	3.263	40	70		EGIBLP
Clc1ccc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)cc1Cl	ZINC000159797277	225279209	/nfs/dbraw/zinc/27/92/09/225279209.db2.gz	XOGMVUKLZCHYEJ-HNNXBMFYSA-N	2	2	326.227	3.263	40	70		EGIBLP
Clc1ccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)cc1Cl	ZINC000159797277	225279210	/nfs/dbraw/zinc/27/92/10/225279210.db2.gz	XOGMVUKLZCHYEJ-HNNXBMFYSA-N	2	2	326.227	3.263	40	70		EGIBLP
CSc1nc(N2CC[NH+](C)CC2)cc(Nc2cccc(C)c2C)[nH+]1	ZINC000216850681	241214368	/nfs/dbraw/zinc/21/43/68/241214368.db2.gz	ZQOSADMXSLNNLD-UHFFFAOYSA-N	2	2	343.500	3.311	40	70		EGIBLP
C[N@H+](CCCn1cc[nH+]c1)Cc1nc2cc(Br)ccc2[nH]1	ZINC000161208715	323223453	/nfs/dbraw/zinc/22/34/53/323223453.db2.gz	DNMFMWIJCCSJHN-UHFFFAOYSA-N	2	2	348.248	3.044	40	70		EGIBLP
C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2cc(Br)ccc2[nH]1	ZINC000161208715	323223457	/nfs/dbraw/zinc/22/34/57/323223457.db2.gz	DNMFMWIJCCSJHN-UHFFFAOYSA-N	2	2	348.248	3.044	40	70		EGIBLP
C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(Br)cc2[nH]1	ZINC000161208715	323223458	/nfs/dbraw/zinc/22/34/58/323223458.db2.gz	DNMFMWIJCCSJHN-UHFFFAOYSA-N	2	2	348.248	3.044	40	70		EGIBLP
C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(Br)cc2[nH]1	ZINC000161208715	323223460	/nfs/dbraw/zinc/22/34/60/323223460.db2.gz	DNMFMWIJCCSJHN-UHFFFAOYSA-N	2	2	348.248	3.044	40	70		EGIBLP
Cc1nc(N2CC[NH+](C)CC2)cc(Nc2cccc(Cl)c2C)[nH+]1	ZINC000216849141	241215488	/nfs/dbraw/zinc/21/54/88/241215488.db2.gz	BKYGDRYDEJFPDO-UHFFFAOYSA-N	2	2	331.851	3.242	40	70		EGIBLP