smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@@H]([NH2+][C@H](C)c2cnc(C)nc2C)C(C)C)cc1 ZINC000160402246 332791068 /nfs/dbraw/zinc/79/10/68/332791068.db2.gz FGGMETLONYXORA-QRWLVFNGSA-N 1 0 311.473 4.704 20 70 DJIDRO CCCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160421811 332793296 /nfs/dbraw/zinc/79/32/96/332793296.db2.gz CDTATPKZDUYKOO-YOEHRIQHSA-N 1 0 320.477 4.663 20 70 DJIDRO C[C@H]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160836979 333368714 /nfs/dbraw/zinc/36/87/14/333368714.db2.gz NKOIBWWTRFJVBW-NDXORKPFSA-N 1 0 309.453 4.728 20 70 DJIDRO CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000216728806 333503666 /nfs/dbraw/zinc/50/36/66/333503666.db2.gz LJGVBNNOIPDPOC-ZDUSSCGKSA-N 1 0 323.358 4.955 20 70 DJIDRO CCCc1ccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160770590 333655698 /nfs/dbraw/zinc/65/56/98/333655698.db2.gz AJBSWRMHMKDKTL-UWJYYQICSA-N 1 0 311.469 4.804 20 70 DJIDRO Fc1ccc2oc(C[NH2+][C@@H]3CCCc4sccc43)cc2c1 ZINC000160970475 333722032 /nfs/dbraw/zinc/72/20/32/333722032.db2.gz VONPPLZYWDPVOD-OAHLLOKOSA-N 1 0 301.386 4.801 20 70 DJIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(c1ccccc1)c1ccccc1 ZINC000159979524 338537777 /nfs/dbraw/zinc/53/77/77/338537777.db2.gz UDFYOPUSHOOWLM-YLJYHZDGSA-N 1 0 323.480 4.754 20 70 DJIDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)s2)ccc1SC ZINC000160933873 522945344 /nfs/dbraw/zinc/94/53/44/522945344.db2.gz ARKRNNOCZIOVHC-LBPRGKRZSA-N 1 0 307.484 4.638 20 70 DJIDRO CCCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160421667 332793292 /nfs/dbraw/zinc/79/32/92/332793292.db2.gz CDTATPKZDUYKOO-WMLDXEAASA-N 1 0 320.477 4.663 20 70 DJIDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)s1 ZINC000160945501 333693948 /nfs/dbraw/zinc/69/39/48/333693948.db2.gz LTMGJTNIFURZDI-OAHLLOKOSA-N 1 0 308.450 4.969 20 70 DJIDRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000218156359 334073430 /nfs/dbraw/zinc/07/34/30/334073430.db2.gz GPZSIKRPIZYXLJ-MBNYWOFBSA-N 1 0 315.404 4.934 20 70 DJIDRO CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2cc(C)no2)C(C)C)cc1 ZINC000218194704 337934197 /nfs/dbraw/zinc/93/41/97/337934197.db2.gz DYXLHXLXRGYDEP-LIRRHRJNSA-N 1 0 300.446 4.983 20 70 DJIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(c1ccccc1)c1ccccc1 ZINC000159979672 338537713 /nfs/dbraw/zinc/53/77/13/338537713.db2.gz UDFYOPUSHOOWLM-PXNSSMCTSA-N 1 0 323.480 4.754 20 70 DJIDRO CC(C)C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823388 519397565 /nfs/dbraw/zinc/39/75/65/519397565.db2.gz GBSYUBWWBOHFCA-MSOLQXFVSA-N 1 0 317.498 4.939 20 70 DJIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)cn1 ZINC000161264401 524604464 /nfs/dbraw/zinc/60/44/64/524604464.db2.gz GLVIMCODWJWOFM-CYBMUJFWSA-N 1 0 322.424 4.598 20 70 DJIDRO Clc1ccc([C@@H]([NH2+][C@@H]2CCSC2)c2cccs2)cc1 ZINC000160438567 332794580 /nfs/dbraw/zinc/79/45/80/332794580.db2.gz IMOLIDJZEIYEIQ-UKRRQHHQSA-N 1 0 309.887 4.586 20 70 DJIDRO c1ccc([C@@H]2C[C@@H](Nc3cc[nH+]c4ccccc34)CCO2)cc1 ZINC000160558309 332821818 /nfs/dbraw/zinc/82/18/18/332821818.db2.gz NECTTYWCIZCQKB-JXFKEZNVSA-N 1 0 304.393 4.567 20 70 DJIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000159936250 332732338 /nfs/dbraw/zinc/73/23/38/332732338.db2.gz MZQNIWPHXHTUIT-INIZCTEOSA-N 1 0 310.441 4.584 20 70 DJIDRO C[C@@H]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160836845 333368574 /nfs/dbraw/zinc/36/85/74/333368574.db2.gz NKOIBWWTRFJVBW-CZAAIQMYSA-N 1 0 309.453 4.728 20 70 DJIDRO Fc1ccc2oc(C[NH2+][C@H]3CCCc4sccc43)cc2c1 ZINC000160970629 333722175 /nfs/dbraw/zinc/72/21/75/333722175.db2.gz VONPPLZYWDPVOD-HNNXBMFYSA-N 1 0 301.386 4.801 20 70 DJIDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CCC2 ZINC000159948878 527112921 /nfs/dbraw/zinc/11/29/21/527112921.db2.gz HJTABXVABGINLM-SMDDNHRTSA-N 1 0 312.438 4.926 20 70 DJIDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159619262 332679475 /nfs/dbraw/zinc/67/94/75/332679475.db2.gz LBYGZKOUTVQRCH-DOMZBBRYSA-N 1 0 318.511 4.665 20 70 DJIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(C)c2C)c1 ZINC000159880638 332720511 /nfs/dbraw/zinc/72/05/11/332720511.db2.gz JKHQPNFFPCZPCD-QGZVFWFLSA-N 1 0 324.468 4.893 20 70 DJIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)c2cccs2)cc1OC ZINC000159952646 332736410 /nfs/dbraw/zinc/73/64/10/332736410.db2.gz OTXKEFCCCACBRZ-UKRRQHHQSA-N 1 0 319.470 4.957 20 70 DJIDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)cc1OC ZINC000159991979 332743609 /nfs/dbraw/zinc/74/36/09/332743609.db2.gz RNTNOCWLCCOEPV-UONOGXRCSA-N 1 0 319.470 4.957 20 70 DJIDRO CCCc1ccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160770720 333655671 /nfs/dbraw/zinc/65/56/71/333655671.db2.gz AJBSWRMHMKDKTL-DYESRHJHSA-N 1 0 311.469 4.804 20 70 DJIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160859940 333672890 /nfs/dbraw/zinc/67/28/90/333672890.db2.gz IKDNYNWREMEMKI-KDOFPFPSSA-N 1 0 303.833 4.504 20 70 DJIDRO Fc1ccc(C[NH2+][C@H]2CCCc3sccc32)c2ncccc12 ZINC000160977426 333730405 /nfs/dbraw/zinc/73/04/05/333730405.db2.gz RWVKKZCCYQIUGN-INIZCTEOSA-N 1 0 312.413 4.603 20 70 DJIDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000160979148 333736774 /nfs/dbraw/zinc/73/67/74/333736774.db2.gz NGRAQWMNSGFMPK-KRWDZBQOSA-N 1 0 323.465 4.614 20 70 DJIDRO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cc(F)cc(F)c1 ZINC000161284173 337578532 /nfs/dbraw/zinc/57/85/32/337578532.db2.gz SRLCHIQUZGPAML-QFYYESIMSA-N 1 0 323.770 4.793 20 70 DJIDRO COc1cc(C[NH2+][C@@H]2CCCc3sccc32)ccc1SC ZINC000160969641 522479103 /nfs/dbraw/zinc/47/91/03/522479103.db2.gz AXWHLPYSWUVKME-CQSZACIVSA-N 1 0 319.495 4.646 20 70 DJIDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CCC2 ZINC000159948987 527109629 /nfs/dbraw/zinc/10/96/29/527109629.db2.gz HJTABXVABGINLM-FZMZJTMJSA-N 1 0 312.438 4.926 20 70 DJIDRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccoc2)cc1OC ZINC000160471241 332804012 /nfs/dbraw/zinc/80/40/12/332804012.db2.gz DEAWWTFEFDMIRG-LSDHHAIUSA-N 1 0 317.429 4.879 20 70 DJIDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccoc2)cc1OC ZINC000160471134 332804060 /nfs/dbraw/zinc/80/40/60/332804060.db2.gz DEAWWTFEFDMIRG-HUUCEWRRSA-N 1 0 317.429 4.879 20 70 DJIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc1OC ZINC000159942007 332733974 /nfs/dbraw/zinc/73/39/74/332733974.db2.gz NVZWODBVPPZFGH-ZIAGYGMSSA-N 1 0 319.470 4.876 20 70 DJIDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160837082 333368626 /nfs/dbraw/zinc/36/86/26/333368626.db2.gz NKOIBWWTRFJVBW-TYCQWZJGSA-N 1 0 309.453 4.728 20 70 DJIDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)s1 ZINC000160906152 333685717 /nfs/dbraw/zinc/68/57/17/333685717.db2.gz JLBTVXJPQMSFLP-LBPRGKRZSA-N 1 0 311.397 4.817 20 70 DJIDRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000160992785 333776853 /nfs/dbraw/zinc/77/68/53/333776853.db2.gz JKZXPFUEJHERBD-IBGZPJMESA-N 1 0 320.461 4.977 20 70 DJIDRO CCSCC[C@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000159979354 338537716 /nfs/dbraw/zinc/53/77/16/338537716.db2.gz ZFCCBRSRRLXBOQ-SUMWQHHRSA-N 1 0 302.487 4.667 20 70 DJIDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)ccc1F ZINC000160743748 522942157 /nfs/dbraw/zinc/94/21/57/522942157.db2.gz PCOYXRUKHAMHHD-RTBURBONSA-N 1 0 319.395 4.519 20 70 DJIDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160891158 522944262 /nfs/dbraw/zinc/94/42/62/522944262.db2.gz SGSMMQNFLJWAPV-RTBURBONSA-N 1 0 317.860 4.895 20 70 DJIDRO C[C@@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160886913 525672234 /nfs/dbraw/zinc/67/22/34/525672234.db2.gz BNMQRHOKJQVXDG-MRRJBJDNSA-N 1 0 321.873 4.506 20 70 DJIDRO CCOc1cccc(C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000159384134 332082181 /nfs/dbraw/zinc/08/21/81/332082181.db2.gz CRTPPJBXHBEWLL-ZDUSSCGKSA-N 1 0 318.486 4.824 20 70 DJIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000160959824 333697595 /nfs/dbraw/zinc/69/75/95/333697595.db2.gz KEHDFPNEDUUXBV-BLLLJJGKSA-N 1 0 324.251 4.768 20 70 DJIDRO C[C@H]([NH2+]Cc1coc2ccccc12)c1cccc(OC(F)F)c1 ZINC000159804183 338532551 /nfs/dbraw/zinc/53/25/51/338532551.db2.gz FRASPEKCOMJNRQ-LBPRGKRZSA-N 1 0 317.335 4.885 20 70 DJIDRO COc1cc(C[NH2+][C@H]2CCCc3sccc32)ccc1SC ZINC000160969786 522488917 /nfs/dbraw/zinc/48/89/17/522488917.db2.gz AXWHLPYSWUVKME-AWEZNQCLSA-N 1 0 319.495 4.646 20 70 DJIDRO CC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccc(F)cc1F ZINC000160806383 522915762 /nfs/dbraw/zinc/91/57/62/522915762.db2.gz YVDWGEZUFGUXKA-ZUZCIYMTSA-N 1 0 310.413 4.840 20 70 DJIDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000160153558 332765925 /nfs/dbraw/zinc/76/59/25/332765925.db2.gz TWXKQAJEEYNJFV-GFCCVEGCSA-N 1 0 322.221 4.747 20 70 DJIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)c2cccs2)cc1OC ZINC000159952512 332736205 /nfs/dbraw/zinc/73/62/05/332736205.db2.gz OTXKEFCCCACBRZ-HIFRSBDPSA-N 1 0 319.470 4.957 20 70 DJIDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1OC ZINC000160008849 332745258 /nfs/dbraw/zinc/74/52/58/332745258.db2.gz HOXSGINGBVWHBM-GJZGRUSLSA-N 1 0 317.429 4.797 20 70 DJIDRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160668066 333460268 /nfs/dbraw/zinc/46/02/68/333460268.db2.gz GPWYZYGFLSUNHQ-DYESRHJHSA-N 1 0 311.469 4.974 20 70 DJIDRO CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000216728863 333504140 /nfs/dbraw/zinc/50/41/40/333504140.db2.gz LJGVBNNOIPDPOC-CYBMUJFWSA-N 1 0 323.358 4.955 20 70 DJIDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000161023867 333782045 /nfs/dbraw/zinc/78/20/45/333782045.db2.gz AXDLXAMONFQCLW-SCLBCKFNSA-N 1 0 317.454 4.567 20 70 DJIDRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000159420907 338525545 /nfs/dbraw/zinc/52/55/45/338525545.db2.gz XDHLNRSGGMUQCL-DLBZAZTESA-N 1 0 317.404 4.779 20 70 DJIDRO CC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccc(OC)cc1 ZINC000160864023 338568362 /nfs/dbraw/zinc/56/83/62/338568362.db2.gz JXCTZENEFYXLEO-KRWDZBQOSA-N 1 0 307.796 4.729 20 70 DJIDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)s2)ccc1SC ZINC000160934007 522906877 /nfs/dbraw/zinc/90/68/77/522906877.db2.gz ARKRNNOCZIOVHC-GFCCVEGCSA-N 1 0 307.484 4.638 20 70 DJIDRO Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCCSC3)cs2)cs1 ZINC000159578427 526562890 /nfs/dbraw/zinc/56/28/90/526562890.db2.gz AFCIAXOOIOSOQD-ZWNOBZJWSA-N 1 0 324.540 4.726 20 70 DJIDRO CCCC[C@H](CCC)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160422074 332793317 /nfs/dbraw/zinc/79/33/17/332793317.db2.gz CDTATPKZDUYKOO-PBHICJAKSA-N 1 0 320.477 4.663 20 70 DJIDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000159737954 332697406 /nfs/dbraw/zinc/69/74/06/332697406.db2.gz ACPYBWIBYCWFIZ-SJORKVTESA-N 1 0 305.425 4.593 20 70 DJIDRO CCc1ccc([C@H](CC)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160776804 333368227 /nfs/dbraw/zinc/36/82/27/333368227.db2.gz RRSQGUCNWGHIRX-SFTDATJTSA-N 1 0 311.469 4.804 20 70 DJIDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000160836946 333668376 /nfs/dbraw/zinc/66/83/76/333668376.db2.gz SZUVYHSROGPBKD-IRXDYDNUSA-N 1 0 305.425 4.593 20 70 DJIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(c1ccccc1)c1ccccc1 ZINC000159979814 338537759 /nfs/dbraw/zinc/53/77/59/338537759.db2.gz UDFYOPUSHOOWLM-XLIONFOSSA-N 1 0 323.480 4.754 20 70 DJIDRO CC(C)C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823167 519398531 /nfs/dbraw/zinc/39/85/31/519398531.db2.gz GBSYUBWWBOHFCA-ROUUACIJSA-N 1 0 317.498 4.939 20 70 DJIDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000160254249 332781692 /nfs/dbraw/zinc/78/16/92/332781692.db2.gz BMRXTFXWJMHEOP-LBPRGKRZSA-N 1 0 322.221 4.747 20 70 DJIDRO Clc1ccc([C@H]([NH2+][C@H]2CCSC2)c2cccs2)cc1 ZINC000160438957 332794577 /nfs/dbraw/zinc/79/45/77/332794577.db2.gz IMOLIDJZEIYEIQ-ZFWWWQNUSA-N 1 0 309.887 4.586 20 70 DJIDRO c1ccc([C@H]2C[C@H](Nc3cc[nH+]c4ccccc34)CCO2)cc1 ZINC000160558184 332821844 /nfs/dbraw/zinc/82/18/44/332821844.db2.gz NECTTYWCIZCQKB-OXQOHEQNSA-N 1 0 304.393 4.567 20 70 DJIDRO CCOc1cccc(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000159384269 332082197 /nfs/dbraw/zinc/08/21/97/332082197.db2.gz CRTPPJBXHBEWLL-CYBMUJFWSA-N 1 0 318.486 4.824 20 70 DJIDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000159732767 332696885 /nfs/dbraw/zinc/69/68/85/332696885.db2.gz CLTNPRCCQLAMJM-QGZVFWFLSA-N 1 0 302.421 4.908 20 70 DJIDRO CCc1ccc([C@H](CC)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160777032 333368339 /nfs/dbraw/zinc/36/83/39/333368339.db2.gz RRSQGUCNWGHIRX-LEWJYISDSA-N 1 0 311.469 4.804 20 70 DJIDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000160836815 333668354 /nfs/dbraw/zinc/66/83/54/333668354.db2.gz SZUVYHSROGPBKD-SJORKVTESA-N 1 0 305.425 4.593 20 70 DJIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl ZINC000160959948 333697627 /nfs/dbraw/zinc/69/76/27/333697627.db2.gz KEHDFPNEDUUXBV-MLGOLLRUSA-N 1 0 324.251 4.768 20 70 DJIDRO COc1ccc2oc(C[NH2+][C@@H]3CCCc4sccc43)cc2c1 ZINC000160980601 333735956 /nfs/dbraw/zinc/73/59/56/333735956.db2.gz RONPILBHOIENRI-MRXNPFEDSA-N 1 0 313.422 4.670 20 70 DJIDRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000159421050 338525514 /nfs/dbraw/zinc/52/55/14/338525514.db2.gz XDHLNRSGGMUQCL-IAGOWNOFSA-N 1 0 317.404 4.779 20 70 DJIDRO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000159421351 338525751 /nfs/dbraw/zinc/52/57/51/338525751.db2.gz XDHLNRSGGMUQCL-SJORKVTESA-N 1 0 317.404 4.779 20 70 DJIDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1cncs1 ZINC000159964538 338536992 /nfs/dbraw/zinc/53/69/92/338536992.db2.gz HGJWYCFARATTHZ-HNNXBMFYSA-N 1 0 324.449 4.573 20 70 DJIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(c1ccccc1)c1ccccc1 ZINC000159979430 338537776 /nfs/dbraw/zinc/53/77/76/338537776.db2.gz UDFYOPUSHOOWLM-FXAWDEMLSA-N 1 0 323.480 4.754 20 70 DJIDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1F ZINC000160743385 522706802 /nfs/dbraw/zinc/70/68/02/522706802.db2.gz PCOYXRUKHAMHHD-OALUTQOASA-N 1 0 319.395 4.519 20 70 DJIDRO CC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccc(F)cc1F ZINC000160806616 522942689 /nfs/dbraw/zinc/94/26/89/522942689.db2.gz YVDWGEZUFGUXKA-MEBBXXQBSA-N 1 0 310.413 4.840 20 70 DJIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)s2)cc1OC ZINC000159941888 332733877 /nfs/dbraw/zinc/73/38/77/332733877.db2.gz NVZWODBVPPZFGH-KBPBESRZSA-N 1 0 319.470 4.876 20 70 DJIDRO CC(C)n1cc([C@H](C)[NH2+]CCSc2ccc(Cl)cc2)cn1 ZINC000160084594 332758031 /nfs/dbraw/zinc/75/80/31/332758031.db2.gz CWZGIWYTFHTUJL-ZDUSSCGKSA-N 1 0 323.893 4.560 20 70 DJIDRO C[C@H]1CC[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160837230 333368700 /nfs/dbraw/zinc/36/87/00/333368700.db2.gz NKOIBWWTRFJVBW-ORYQWCPZSA-N 1 0 309.453 4.728 20 70 DJIDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000161024116 333782030 /nfs/dbraw/zinc/78/20/30/333782030.db2.gz AXDLXAMONFQCLW-FZKQIMNGSA-N 1 0 317.454 4.567 20 70 DJIDRO CC(C)C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823533 519253783 /nfs/dbraw/zinc/25/37/83/519253783.db2.gz GBSYUBWWBOHFCA-QZTJIDSGSA-N 1 0 317.498 4.939 20 70 DJIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)cn1 ZINC000161264280 524594546 /nfs/dbraw/zinc/59/45/46/524594546.db2.gz GLVIMCODWJWOFM-ZDUSSCGKSA-N 1 0 322.424 4.598 20 70 DJIDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000161309126 526605906 /nfs/dbraw/zinc/60/59/06/526605906.db2.gz YGBQMVFAAFWZMD-CQSZACIVSA-N 1 0 323.465 4.673 20 70 DJIDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000161309002 526606091 /nfs/dbraw/zinc/60/60/91/526606091.db2.gz YGBQMVFAAFWZMD-AWEZNQCLSA-N 1 0 323.465 4.673 20 70 DJIDRO CCc1ccc([C@H]([NH2+][C@@H](C)c2cnc(C)nc2C)C(C)C)cc1 ZINC000160401855 332790823 /nfs/dbraw/zinc/79/08/23/332790823.db2.gz FGGMETLONYXORA-MGPUTAFESA-N 1 0 311.473 4.704 20 70 DJIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2sccc2C)cc1OC ZINC000159955231 332867615 /nfs/dbraw/zinc/86/76/15/332867615.db2.gz DIQGRZFRYFZJKC-KBPBESRZSA-N 1 0 319.470 4.876 20 70 DJIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)s2)c1 ZINC000159868914 332717682 /nfs/dbraw/zinc/71/76/82/332717682.db2.gz IZGHPOCLFJHHSJ-AWEZNQCLSA-N 1 0 316.470 4.646 20 70 DJIDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1OC ZINC000160008723 332745361 /nfs/dbraw/zinc/74/53/61/332745361.db2.gz HOXSGINGBVWHBM-CABCVRRESA-N 1 0 317.429 4.797 20 70 DJIDRO CCc1ccc([C@@H](CC)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160776925 333368270 /nfs/dbraw/zinc/36/82/70/333368270.db2.gz RRSQGUCNWGHIRX-NHCUHLMSSA-N 1 0 311.469 4.804 20 70 DJIDRO CCCCCOc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000216726524 333501057 /nfs/dbraw/zinc/50/10/57/333501057.db2.gz DHPXVMUECSUWLP-UHFFFAOYSA-N 1 0 301.405 4.685 20 70 DJIDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160860046 333672919 /nfs/dbraw/zinc/67/29/19/333672919.db2.gz IKDNYNWREMEMKI-KBXCAEBGSA-N 1 0 303.833 4.504 20 70 DJIDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1C ZINC000160896537 333684545 /nfs/dbraw/zinc/68/45/45/333684545.db2.gz WMINZFUTKRKBGT-WIYYLYMNSA-N 1 0 311.469 4.776 20 70 DJIDRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000160972592 333728885 /nfs/dbraw/zinc/72/88/85/333728885.db2.gz QWRYBZTVGCTDPO-AWEZNQCLSA-N 1 0 304.484 4.639 20 70 DJIDRO Fc1ccc(C[NH2+][C@@H]2CCCc3sccc32)c2ncccc12 ZINC000160977290 333730318 /nfs/dbraw/zinc/73/03/18/333730318.db2.gz RWVKKZCCYQIUGN-MRXNPFEDSA-N 1 0 312.413 4.603 20 70 DJIDRO CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2cc(C)no2)C(C)C)cc1 ZINC000218194765 337934158 /nfs/dbraw/zinc/93/41/58/337934158.db2.gz DYXLHXLXRGYDEP-AUUYWEPGSA-N 1 0 300.446 4.983 20 70 DJIDRO Clc1ccc(Cl)c(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000159418932 338525580 /nfs/dbraw/zinc/52/55/80/338525580.db2.gz LUCXSEUDDZUZMU-UHFFFAOYSA-N 1 0 317.219 4.831 20 70 DJIDRO C[C@@H]([NH2+]Cc1coc2ccccc12)c1cccc(OC(F)F)c1 ZINC000159804302 338532561 /nfs/dbraw/zinc/53/25/61/338532561.db2.gz FRASPEKCOMJNRQ-GFCCVEGCSA-N 1 0 317.335 4.885 20 70 DJIDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160846617 338567206 /nfs/dbraw/zinc/56/72/06/338567206.db2.gz SGMOPVHRRTXDCD-LBPRGKRZSA-N 1 0 307.796 4.647 20 70 DJIDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000217021764 340486310 /nfs/dbraw/zinc/48/63/10/340486310.db2.gz DRPCGMZDPKAWIN-CYBMUJFWSA-N 1 0 309.331 4.744 20 70 DJIDRO C[C@@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160887148 525673591 /nfs/dbraw/zinc/67/35/91/525673591.db2.gz BNMQRHOKJQVXDG-IFIJOSMWSA-N 1 0 321.873 4.506 20 70 DJIDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cc3ccccc3o1)CCC2 ZINC000159949262 527109448 /nfs/dbraw/zinc/10/94/48/527109448.db2.gz HJTABXVABGINLM-RISCZKNCSA-N 1 0 312.438 4.926 20 70 DJIDRO Clc1ccc([C@@H]([NH2+][C@H]2CCSC2)c2cccs2)cc1 ZINC000160438821 332794513 /nfs/dbraw/zinc/79/45/13/332794513.db2.gz IMOLIDJZEIYEIQ-DZGCQCFKSA-N 1 0 309.887 4.586 20 70 DJIDRO C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccsc2S1 ZINC000216914631 332187966 /nfs/dbraw/zinc/18/79/66/332187966.db2.gz KVBRIZJDBKUMHT-WFASDCNBSA-N 1 0 324.559 4.526 20 70 DJIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)s2)c1 ZINC000159869040 332717756 /nfs/dbraw/zinc/71/77/56/332717756.db2.gz IZGHPOCLFJHHSJ-CQSZACIVSA-N 1 0 316.470 4.646 20 70 DJIDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1OC ZINC000159991669 332743693 /nfs/dbraw/zinc/74/36/93/332743693.db2.gz RNTNOCWLCCOEPV-KGLIPLIRSA-N 1 0 319.470 4.957 20 70 DJIDRO COc1ccccc1Oc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1 ZINC000160949191 333692234 /nfs/dbraw/zinc/69/22/34/333692234.db2.gz OBHQLCXOVZISCK-HNNXBMFYSA-N 1 0 323.392 4.931 20 70 DJIDRO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cc(F)cc(F)c1 ZINC000161283921 337578529 /nfs/dbraw/zinc/57/85/29/337578529.db2.gz SRLCHIQUZGPAML-MGPLVRAMSA-N 1 0 323.770 4.793 20 70 DJIDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc2cc(OC)ccc2c1 ZINC000161286772 337578634 /nfs/dbraw/zinc/57/86/34/337578634.db2.gz FEYJOWAJFPHLOW-OAQYLSRUSA-N 1 0 320.436 4.793 20 70 DJIDRO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000160761167 338563842 /nfs/dbraw/zinc/56/38/42/338563842.db2.gz JKRDHWPOFBTHIH-JQWIXIFHSA-N 1 0 309.734 4.690 20 70 DJIDRO CC(C)C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823274 519253526 /nfs/dbraw/zinc/25/35/26/519253526.db2.gz GBSYUBWWBOHFCA-ZWKOTPCHSA-N 1 0 317.498 4.939 20 70 DJIDRO CC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccc(F)cc1F ZINC000160806243 522702764 /nfs/dbraw/zinc/70/27/64/522702764.db2.gz YVDWGEZUFGUXKA-BONVTDFDSA-N 1 0 310.413 4.840 20 70 DJIDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160890864 522920282 /nfs/dbraw/zinc/92/02/82/522920282.db2.gz SGSMMQNFLJWAPV-MOPGFXCFSA-N 1 0 317.860 4.895 20 70 DJIDRO C[C@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160886771 525600590 /nfs/dbraw/zinc/60/05/90/525600590.db2.gz BNMQRHOKJQVXDG-QEORTHHSSA-N 1 0 321.873 4.506 20 70 DJIDRO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCCSC3)cs2)cs1 ZINC000159578852 526562824 /nfs/dbraw/zinc/56/28/24/526562824.db2.gz AFCIAXOOIOSOQD-GWCFXTLKSA-N 1 0 324.540 4.726 20 70 DJIDRO Fc1cc(Cl)cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000160798859 331600603 /nfs/dbraw/zinc/60/06/03/331600603.db2.gz SHDLPGSQRXGNKR-UHFFFAOYSA-N 1 0 317.713 4.788 20 70 DJIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c1 ZINC000159918351 332729764 /nfs/dbraw/zinc/72/97/64/332729764.db2.gz PKZKYKIVPZSUIX-HXUWFJFHSA-N 1 0 322.452 4.511 20 70 DJIDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)c1 ZINC000160837072 333668513 /nfs/dbraw/zinc/66/85/13/333668513.db2.gz SZUVYHSROGPBKD-IAGOWNOFSA-N 1 0 305.425 4.593 20 70 DJIDRO C[C@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160887013 525600218 /nfs/dbraw/zinc/60/02/18/525600218.db2.gz BNMQRHOKJQVXDG-JDFRZJQESA-N 1 0 321.873 4.506 20 70 DJIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCCCC3)nc2)cc1 ZINC000160553697 332820294 /nfs/dbraw/zinc/82/02/94/332820294.db2.gz KKZTXGCUBXXDAB-SFHVURJKSA-N 1 0 323.484 4.621 20 70 DJIDRO Fc1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1C(F)(F)F ZINC000161329987 337580897 /nfs/dbraw/zinc/58/08/97/337580897.db2.gz IAADHPWVXMNURX-UHFFFAOYSA-N 1 0 322.305 4.616 20 70 DJIDRO CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2cc(C)no2)C(C)C)cc1 ZINC000218194637 337934150 /nfs/dbraw/zinc/93/41/50/337934150.db2.gz DYXLHXLXRGYDEP-KUHUBIRLSA-N 1 0 300.446 4.983 20 70 DJIDRO CC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccc(OC)cc1 ZINC000160864164 338568334 /nfs/dbraw/zinc/56/83/34/338568334.db2.gz JXCTZENEFYXLEO-QGZVFWFLSA-N 1 0 307.796 4.729 20 70 DJIDRO CC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccc(F)cc1F ZINC000160806478 522745506 /nfs/dbraw/zinc/74/55/06/522745506.db2.gz YVDWGEZUFGUXKA-BMIGLBTASA-N 1 0 310.413 4.840 20 70 DJIDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)ccc1F ZINC000160743620 522745883 /nfs/dbraw/zinc/74/58/83/522745883.db2.gz PCOYXRUKHAMHHD-RBUKOAKNSA-N 1 0 319.395 4.519 20 70 DJIDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cc3ccccc3o1)CCC2 ZINC000159949120 527113434 /nfs/dbraw/zinc/11/34/34/527113434.db2.gz HJTABXVABGINLM-BXUZGUMPSA-N 1 0 312.438 4.926 20 70 DJIDRO CCc1ccc([C@H]([NH2+][C@H](C)c2cnc(C)nc2C)C(C)C)cc1 ZINC000160402112 332790668 /nfs/dbraw/zinc/79/06/68/332790668.db2.gz FGGMETLONYXORA-FOIQADDNSA-N 1 0 311.473 4.704 20 70 DJIDRO Clc1ccc([C@H]([NH2+][C@@H]2CCSC2)c2cccs2)cc1 ZINC000160438702 332794710 /nfs/dbraw/zinc/79/47/10/332794710.db2.gz IMOLIDJZEIYEIQ-HIFRSBDPSA-N 1 0 309.887 4.586 20 70 DJIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC000160492140 332810743 /nfs/dbraw/zinc/81/07/43/332810743.db2.gz AQHIFMUXEMGFIJ-ZDUSSCGKSA-N 1 0 319.832 4.647 20 70 DJIDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1OC ZINC000160009108 332745225 /nfs/dbraw/zinc/74/52/25/332745225.db2.gz HOXSGINGBVWHBM-LSDHHAIUSA-N 1 0 317.429 4.797 20 70 DJIDRO CCc1ccc([C@@H](CC)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160776676 333368299 /nfs/dbraw/zinc/36/82/99/333368299.db2.gz RRSQGUCNWGHIRX-RTWAWAEBSA-N 1 0 311.469 4.804 20 70 DJIDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000216728438 333503982 /nfs/dbraw/zinc/50/39/82/333503982.db2.gz BGOXDWRBWLHTQQ-CYBMUJFWSA-N 1 0 305.368 4.701 20 70 DJIDRO Fc1ccc2c(N[C@H]3CCO[C@@H](c4ccccc4)C3)cc[nH+]c2c1 ZINC000160658649 334877730 /nfs/dbraw/zinc/87/77/30/334877730.db2.gz WRJHQRYYRXOSBV-OXJNMPFZSA-N 1 0 322.383 4.706 20 70 DJIDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000161335500 337581669 /nfs/dbraw/zinc/58/16/69/337581669.db2.gz LKFQYYVUYPFUIR-GFCCVEGCSA-N 1 0 322.221 4.747 20 70 DJIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2sccc2C)c1 ZINC000159897609 332724635 /nfs/dbraw/zinc/72/46/35/332724635.db2.gz KJPYDDWGXKUOOD-CQSZACIVSA-N 1 0 316.470 4.646 20 70 DJIDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2sccc2C)cc1OC ZINC000159955461 332736209 /nfs/dbraw/zinc/73/62/09/332736209.db2.gz DIQGRZFRYFZJKC-UONOGXRCSA-N 1 0 319.470 4.876 20 70 DJIDRO CCCc1ccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160770456 333655771 /nfs/dbraw/zinc/65/57/71/333655771.db2.gz AJBSWRMHMKDKTL-UTKZUKDTSA-N 1 0 311.469 4.804 20 70 DJIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160859814 333672866 /nfs/dbraw/zinc/67/28/66/333672866.db2.gz IKDNYNWREMEMKI-KSSFIOAISA-N 1 0 303.833 4.504 20 70 DJIDRO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000159421200 338525704 /nfs/dbraw/zinc/52/57/04/338525704.db2.gz XDHLNRSGGMUQCL-IRXDYDNUSA-N 1 0 317.404 4.779 20 70 DJIDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1F ZINC000160743511 522919702 /nfs/dbraw/zinc/91/97/02/522919702.db2.gz PCOYXRUKHAMHHD-MOPGFXCFSA-N 1 0 319.395 4.519 20 70 DJIDRO