smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216816614	569879570	/nfs/dbraw/zinc/87/95/70/569879570.db2.gz	BXMZKTCAUYMBJF-HNNXBMFYSA-N	1	1	464.975	2.033	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1	ZINC000216824614	569879591	/nfs/dbraw/zinc/87/95/91/569879591.db2.gz	KLOFWCBNADAASO-HXUWFJFHSA-N	1	1	470.595	2.114	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cnc4sc5c(n4c3=O)CCCC5)cc2)CC1	ZINC000216844090	569879745	/nfs/dbraw/zinc/87/97/45/569879745.db2.gz	BQWQBDHDEKDAJG-UHFFFAOYSA-N	1	1	451.552	2.275	40	70		JEIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000216810579	569879537	/nfs/dbraw/zinc/87/95/37/569879537.db2.gz	NOJTVHOYDDCKHA-UHFFFAOYSA-N	1	1	458.584	2.032	40	70		JEIBMO
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216830514	569879597	/nfs/dbraw/zinc/87/95/97/569879597.db2.gz	DSEOGQZANONEGG-UHFFFAOYSA-N	1	1	488.610	2.026	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1	ZINC000216823558	569879631	/nfs/dbraw/zinc/87/96/31/569879631.db2.gz	WGRWPLCHAWXKBC-LJQANCHMSA-N	1	1	488.585	2.253	40	70		JEIBMO
CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216840053	569879694	/nfs/dbraw/zinc/87/96/94/569879694.db2.gz	FVOMIXOEYBABLR-UHFFFAOYSA-N	1	1	472.611	2.334	40	70		JEIBMO
CN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000216809146	569879535	/nfs/dbraw/zinc/87/95/35/569879535.db2.gz	PKTFFOSCWYWLFQ-UHFFFAOYSA-N	1	1	480.590	2.487	40	70		JEIBMO
COc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NC(C)C	ZINC000216841223	569879751	/nfs/dbraw/zinc/87/97/51/569879751.db2.gz	JCRRWUZOMAVKKM-UHFFFAOYSA-N	1	1	474.583	2.022	40	70		JEIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cc(C)ccc1OC	ZINC000216812650	569879457	/nfs/dbraw/zinc/87/94/57/569879457.db2.gz	MKQRPBQINXKBPT-UHFFFAOYSA-N	1	1	488.610	2.041	40	70		JEIBMO
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216834310	569879677	/nfs/dbraw/zinc/87/96/77/569879677.db2.gz	WRPAWMUHWWMQRP-UHFFFAOYSA-N	1	1	488.610	2.122	40	70		JEIBMO
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216842238	569879776	/nfs/dbraw/zinc/87/97/76/569879776.db2.gz	SAVMQYUXBXWMJV-UHFFFAOYSA-N	1	1	488.610	2.366	40	70		JEIBMO
COC(=O)C[C@@H](c1cccnc1)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O	ZINC000218007167	569882439	/nfs/dbraw/zinc/88/24/39/569882439.db2.gz	QEMVYUWZNYAZOV-HQRMLTQVSA-N	1	1	477.517	2.216	40	70		JEIBMO
COC(=O)C[C@@H](c1cccnc1)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O	ZINC000218007167	569882440	/nfs/dbraw/zinc/88/24/40/569882440.db2.gz	QEMVYUWZNYAZOV-HQRMLTQVSA-N	1	1	477.517	2.216	40	70		JEIBMO
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1	ZINC000216781797	569879320	/nfs/dbraw/zinc/87/93/20/569879320.db2.gz	XLZLZLKJTDOEKC-SFHVURJKSA-N	1	1	451.976	2.012	40	70		JEIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000216816251	569879475	/nfs/dbraw/zinc/87/94/75/569879475.db2.gz	ZVVGLYNNWLFILN-UHFFFAOYSA-N	1	1	488.610	2.041	40	70		JEIBMO
CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216839141	569879697	/nfs/dbraw/zinc/87/96/97/569879697.db2.gz	SIXGIYQIWXBRNQ-UHFFFAOYSA-N	1	1	472.611	2.332	40	70		JEIBMO
O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CCN(c3ccccc3)CC2)c1O	ZINC000217560739	569880376	/nfs/dbraw/zinc/88/03/76/569880376.db2.gz	YQFGMWJPCOERGA-LEWJYISDSA-N	1	1	488.588	2.449	40	70		JEIBMO
O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CCN(c3ccccc3)CC2)c1O	ZINC000217560739	569880377	/nfs/dbraw/zinc/88/03/77/569880377.db2.gz	YQFGMWJPCOERGA-LEWJYISDSA-N	1	1	488.588	2.449	40	70		JEIBMO
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C)c1	ZINC000216807542	569879519	/nfs/dbraw/zinc/87/95/19/569879519.db2.gz	MAEXQDPHTYBQEG-UHFFFAOYSA-N	1	1	472.611	2.259	40	70		JEIBMO
CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216830724	569879638	/nfs/dbraw/zinc/87/96/38/569879638.db2.gz	HGRKRGCFXNJCNS-SFHVURJKSA-N	1	1	488.610	2.169	40	70		JEIBMO
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216835299	569879651	/nfs/dbraw/zinc/87/96/51/569879651.db2.gz	ZYUMARGAEAVDLY-UHFFFAOYSA-N	1	1	488.610	2.087	40	70		JEIBMO
COC(=O)C[C@H](c1cccnc1)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O	ZINC000218007074	569882403	/nfs/dbraw/zinc/88/24/03/569882403.db2.gz	QEMVYUWZNYAZOV-ILZDJORESA-N	1	1	477.517	2.216	40	70		JEIBMO
COC(=O)C[C@H](c1cccnc1)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O	ZINC000218007074	569882404	/nfs/dbraw/zinc/88/24/04/569882404.db2.gz	QEMVYUWZNYAZOV-ILZDJORESA-N	1	1	477.517	2.216	40	70		JEIBMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2)cc1	ZINC000216822503	569879586	/nfs/dbraw/zinc/87/95/86/569879586.db2.gz	DXICDBZKCKSWMG-OAQYLSRUSA-N	1	1	484.622	2.422	40	70		JEIBMO
CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216842151	569879804	/nfs/dbraw/zinc/87/98/04/569879804.db2.gz	XZEAFNPCCCNFKC-UHFFFAOYSA-N	1	1	474.583	2.023	40	70		JEIBMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216817373	569879636	/nfs/dbraw/zinc/87/96/36/569879636.db2.gz	JXOLQSFTVZXXDF-HNNXBMFYSA-N	1	1	495.001	2.042	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216811093	569879533	/nfs/dbraw/zinc/87/95/33/569879533.db2.gz	ZAJVTGZKRQILBW-UHFFFAOYSA-N	1	1	479.002	2.128	40	70		JEIBMO
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216818460	569879559	/nfs/dbraw/zinc/87/95/59/569879559.db2.gz	ZHLQYOQDIPFAEL-OAHLLOKOSA-N	1	1	495.001	2.042	40	70		JEIBMO
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216818196	569879616	/nfs/dbraw/zinc/87/96/16/569879616.db2.gz	XVGHRSHYXDLIHM-GOSISDBHSA-N	1	1	488.610	2.087	40	70		JEIBMO
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCc2ccccc2C1	ZINC000217568903	569880299	/nfs/dbraw/zinc/88/02/99/569880299.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	1	1	472.589	2.430	40	70		JEIBMO
CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216813864	569879495	/nfs/dbraw/zinc/87/94/95/569879495.db2.gz	RAIPBFMFPUPXNK-UHFFFAOYSA-N	1	1	488.610	2.041	40	70		JEIBMO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1	ZINC000216821577	569879555	/nfs/dbraw/zinc/87/95/55/569879555.db2.gz	QASHOZQRDNREQC-UHFFFAOYSA-N	1	1	484.622	2.422	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1	ZINC000216821479	569879563	/nfs/dbraw/zinc/87/95/63/569879563.db2.gz	FBILVZUTTUXKKN-UHFFFAOYSA-N	1	1	470.595	2.114	40	70		JEIBMO
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1	ZINC000216781842	569879330	/nfs/dbraw/zinc/87/93/30/569879330.db2.gz	XLZLZLKJTDOEKC-GOSISDBHSA-N	1	1	451.976	2.012	40	70		JEIBMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2)cc1	ZINC000216822546	569879593	/nfs/dbraw/zinc/87/95/93/569879593.db2.gz	DXICDBZKCKSWMG-NRFANRHFSA-N	1	1	484.622	2.422	40	70		JEIBMO
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216818158	569879627	/nfs/dbraw/zinc/87/96/27/569879627.db2.gz	XVGHRSHYXDLIHM-SFHVURJKSA-N	1	1	488.610	2.087	40	70		JEIBMO
CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C)c1	ZINC000216836175	569879664	/nfs/dbraw/zinc/87/96/64/569879664.db2.gz	VEZWQUPVEFMHPT-UHFFFAOYSA-N	1	1	488.610	2.088	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	ZINC000216840646	569879743	/nfs/dbraw/zinc/87/97/43/569879743.db2.gz	OAMZUEDGKFQZKL-UHFFFAOYSA-N	1	1	484.622	2.430	40	70		JEIBMO
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216830686	569879601	/nfs/dbraw/zinc/87/96/01/569879601.db2.gz	HGRKRGCFXNJCNS-GOSISDBHSA-N	1	1	488.610	2.169	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1	ZINC000216823590	569879603	/nfs/dbraw/zinc/87/96/03/569879603.db2.gz	WGRWPLCHAWXKBC-IBGZPJMESA-N	1	1	488.585	2.253	40	70		JEIBMO
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216818422	569879633	/nfs/dbraw/zinc/87/96/33/569879633.db2.gz	ZHLQYOQDIPFAEL-HNNXBMFYSA-N	1	1	495.001	2.042	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1	ZINC000216824654	569879642	/nfs/dbraw/zinc/87/96/42/569879642.db2.gz	KLOFWCBNADAASO-FQEVSTJZSA-N	1	1	470.595	2.114	40	70		JEIBMO
COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)OC(C)(C)OC2=O)cc1	ZINC000217469613	569880072	/nfs/dbraw/zinc/88/00/72/569880072.db2.gz	CANLEWXPTZODFA-RBUKOAKNSA-N	1	1	466.534	2.341	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1	ZINC000216821972	569879578	/nfs/dbraw/zinc/87/95/78/569879578.db2.gz	XGRDBGZGPILYIX-UHFFFAOYSA-N	1	1	488.585	2.253	40	70		JEIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)CC1	ZINC000216841132	569879809	/nfs/dbraw/zinc/87/98/09/569879809.db2.gz	XOESQQQUAINTCH-UHFFFAOYSA-N	1	1	470.595	2.086	40	70		JEIBMO
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216810218	569879547	/nfs/dbraw/zinc/87/95/47/569879547.db2.gz	GQLQOZUYDHNKMU-UHFFFAOYSA-N	1	1	488.610	2.122	40	70		JEIBMO
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216817411	569879620	/nfs/dbraw/zinc/87/96/20/569879620.db2.gz	JXOLQSFTVZXXDF-OAHLLOKOSA-N	1	1	495.001	2.042	40	70		JEIBMO
CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216833254	569879674	/nfs/dbraw/zinc/87/96/74/569879674.db2.gz	LMFJNGFFRUWCLG-UHFFFAOYSA-N	1	1	488.610	2.170	40	70		JEIBMO
COc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCCC1	ZINC000216841450	569879770	/nfs/dbraw/zinc/87/97/70/569879770.db2.gz	BYILDBISCGRMFU-UHFFFAOYSA-N	1	1	486.594	2.120	40	70		JEIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216810754	569879453	/nfs/dbraw/zinc/87/94/53/569879453.db2.gz	YDLQWCNVDLRWPO-UHFFFAOYSA-N	1	1	479.002	2.377	40	70		JEIBMO
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216816576	569879507	/nfs/dbraw/zinc/87/95/07/569879507.db2.gz	BXMZKTCAUYMBJF-OAHLLOKOSA-N	1	1	464.975	2.033	40	70		JEIBMO