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](C[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC000769692310 1078521400 /nfs/dbraw/zinc/52/14/00/1078521400.db2.gz IAFZNJXTNDKTKY-QZTJIDSGSA-N 2 2 419.570 2.402 20 0 HEADLP Cc1cc([C@@](C)(O)CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)o1 ZINC000745877937 1078681775 /nfs/dbraw/zinc/68/17/75/1078681775.db2.gz FRBQKPKZJNHHED-NRFANRHFSA-N 2 2 406.571 2.353 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252078 1078832372 /nfs/dbraw/zinc/83/23/72/1078832372.db2.gz BJUDFJVETRAQMF-LZLYRXPVSA-N 2 2 424.586 2.032 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252078 1078832376 /nfs/dbraw/zinc/83/23/76/1078832376.db2.gz BJUDFJVETRAQMF-LZLYRXPVSA-N 2 2 424.586 2.032 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128644 1079147765 /nfs/dbraw/zinc/14/77/65/1079147765.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128644 1079147768 /nfs/dbraw/zinc/14/77/68/1079147768.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)cc[nH+]1 ZINC001169128644 1079147771 /nfs/dbraw/zinc/14/77/71/1079147771.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)cc[nH+]1 ZINC001169128644 1079147774 /nfs/dbraw/zinc/14/77/74/1079147774.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776828 1079498632 /nfs/dbraw/zinc/49/86/32/1079498632.db2.gz GQVWCTDSOAFYGY-WOJBJXKFSA-N 2 2 408.587 2.262 20 0 HEADLP CN(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776828 1079498641 /nfs/dbraw/zinc/49/86/41/1079498641.db2.gz GQVWCTDSOAFYGY-WOJBJXKFSA-N 2 2 408.587 2.262 20 0 HEADLP C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779531 1079499691 /nfs/dbraw/zinc/49/96/91/1079499691.db2.gz UWAIIFBGHNVEME-AEFFLSMTSA-N 2 2 411.591 2.100 20 0 HEADLP C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779531 1079499695 /nfs/dbraw/zinc/49/96/95/1079499695.db2.gz UWAIIFBGHNVEME-AEFFLSMTSA-N 2 2 411.591 2.100 20 0 HEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247753 1076139663 /nfs/dbraw/zinc/13/96/63/1076139663.db2.gz MPZQEMUTFWNQAF-RBUKOAKNSA-N 2 2 419.570 2.419 20 0 HEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247753 1076139668 /nfs/dbraw/zinc/13/96/68/1076139668.db2.gz MPZQEMUTFWNQAF-RBUKOAKNSA-N 2 2 419.570 2.419 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740916880 1076304580 /nfs/dbraw/zinc/30/45/80/1076304580.db2.gz DRFCNMLKHDRIPY-LMMKCTJWSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740916880 1076304587 /nfs/dbraw/zinc/30/45/87/1076304587.db2.gz DRFCNMLKHDRIPY-LMMKCTJWSA-N 2 2 423.602 2.100 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000741277080 1076441463 /nfs/dbraw/zinc/44/14/63/1076441463.db2.gz SCFAKVIGWUUBLC-IBGZPJMESA-N 2 2 423.602 2.148 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCN(c4ccc(C)cc4)C3=O)CC2)CC1 ZINC000741784681 1076626785 /nfs/dbraw/zinc/62/67/85/1076626785.db2.gz LLDHQOQPUDYGSV-QFIPXVFZSA-N 2 2 412.578 2.367 20 0 HEADLP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743006969 1076923083 /nfs/dbraw/zinc/92/30/83/1076923083.db2.gz MYSZXSBGKNQLHM-NRFANRHFSA-N 2 2 402.608 2.322 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000743118767 1076964090 /nfs/dbraw/zinc/96/40/90/1076964090.db2.gz YKSKCTJEDOCBCQ-UHFFFAOYSA-N 2 2 403.527 2.129 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000743118767 1076964100 /nfs/dbraw/zinc/96/41/00/1076964100.db2.gz YKSKCTJEDOCBCQ-UHFFFAOYSA-N 2 2 403.527 2.129 20 0 HEADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000743403162 1077043492 /nfs/dbraw/zinc/04/34/92/1077043492.db2.gz IHBGUZFDQUTCNU-UHFFFAOYSA-N 2 2 407.474 2.197 20 0 HEADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccco1 ZINC000743413519 1077049317 /nfs/dbraw/zinc/04/93/17/1077049317.db2.gz FSUZEPXJSPWXOI-QGZVFWFLSA-N 2 2 410.478 2.307 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000743414437 1077049967 /nfs/dbraw/zinc/04/99/67/1077049967.db2.gz XHPJCIMFGGBVFK-IBGZPJMESA-N 2 2 406.490 2.242 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000743972333 1077275342 /nfs/dbraw/zinc/27/53/42/1077275342.db2.gz MPMCFQNGUSEFNI-HXUWFJFHSA-N 2 2 418.501 2.247 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000743972333 1077275351 /nfs/dbraw/zinc/27/53/51/1077275351.db2.gz MPMCFQNGUSEFNI-HXUWFJFHSA-N 2 2 418.501 2.247 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cn1 ZINC000744908575 1077661226 /nfs/dbraw/zinc/66/12/26/1077661226.db2.gz WRFZBLUQNJNCJE-UHFFFAOYSA-N 2 2 424.480 2.244 20 0 HEADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766331739 1077815307 /nfs/dbraw/zinc/81/53/07/1077815307.db2.gz QQPHDUKWMYVKCN-ROUUACIJSA-N 2 2 417.554 2.156 20 0 HEADLP C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000766913313 1079503967 /nfs/dbraw/zinc/50/39/67/1079503967.db2.gz JNPYLRACLSCHQE-IIBYNOLFSA-N 2 2 406.546 2.496 20 0 HEADLP CN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763053 1079516826 /nfs/dbraw/zinc/51/68/26/1079516826.db2.gz AXNLNBCRWFLFHI-HKUYNNGSSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763053 1079516837 /nfs/dbraw/zinc/51/68/37/1079516837.db2.gz AXNLNBCRWFLFHI-HKUYNNGSSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763807 1079518929 /nfs/dbraw/zinc/51/89/29/1079518929.db2.gz FFGXYJNBPZKUQB-OALUTQOASA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763807 1079518936 /nfs/dbraw/zinc/51/89/36/1079518936.db2.gz FFGXYJNBPZKUQB-OALUTQOASA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771765673 1079520942 /nfs/dbraw/zinc/52/09/42/1079520942.db2.gz DHRIANJRGVBURY-MOPGFXCFSA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771765673 1079520952 /nfs/dbraw/zinc/52/09/52/1079520952.db2.gz DHRIANJRGVBURY-MOPGFXCFSA-N 2 2 423.602 2.100 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@H](CC(C)(C)C)OC3=O)CC2)CC1 ZINC000785500043 1080021582 /nfs/dbraw/zinc/02/15/82/1080021582.db2.gz CHFDFPADONEPLA-IBGZPJMESA-N 2 2 408.587 2.467 20 0 HEADLP COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785731193 1080205357 /nfs/dbraw/zinc/20/53/57/1080205357.db2.gz OBZOMEXONAWPHK-OALUTQOASA-N 2 2 417.550 2.146 20 0 HEADLP COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785731193 1080205375 /nfs/dbraw/zinc/20/53/75/1080205375.db2.gz OBZOMEXONAWPHK-OALUTQOASA-N 2 2 417.550 2.146 20 0 HEADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000769103364 1080962598 /nfs/dbraw/zinc/96/25/98/1080962598.db2.gz RLOVZSWLSWYZAN-UHFFFAOYSA-N 2 2 416.566 2.150 20 0 HEADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000769103364 1080962607 /nfs/dbraw/zinc/96/26/07/1080962607.db2.gz RLOVZSWLSWYZAN-UHFFFAOYSA-N 2 2 416.566 2.150 20 0 HEADLP CCOC(=O)C1=C(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)NC(=O)N[C@H]1C ZINC000787299527 1081097277 /nfs/dbraw/zinc/09/72/77/1081097277.db2.gz INDASOWCZHGTKM-ZACQAIPSSA-N 2 2 414.550 2.251 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501570 1081099048 /nfs/dbraw/zinc/09/90/48/1081099048.db2.gz BPXAQCFYNWQZIJ-RHSMWYFYSA-N 2 2 402.461 2.328 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501570 1081099050 /nfs/dbraw/zinc/09/90/50/1081099050.db2.gz BPXAQCFYNWQZIJ-RHSMWYFYSA-N 2 2 402.461 2.328 20 0 HEADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)c1 ZINC001164914719 721793185 /nfs/dbraw/zinc/79/31/85/721793185.db2.gz QWXXGFYDPPVNJE-DEOSSOPVSA-N 2 2 423.561 2.180 20 0 HEADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)c1 ZINC001164914719 721793188 /nfs/dbraw/zinc/79/31/88/721793188.db2.gz QWXXGFYDPPVNJE-DEOSSOPVSA-N 2 2 423.561 2.180 20 0 HEADLP C[NH+]1CCC(CNC(=O)NCCCNC(=O)OC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000745802698 1078653442 /nfs/dbraw/zinc/65/34/42/1078653442.db2.gz GJTBZYBLMRXABZ-UHFFFAOYSA-N 2 2 411.591 2.151 20 0 HEADLP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745782158 1078918487 /nfs/dbraw/zinc/91/84/87/1078918487.db2.gz ZTIWYNRJWOOERF-UHFFFAOYSA-N 2 2 403.571 2.131 20 0 HEADLP C[Si](C)(C)c1c(F)c(F)c(Br)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072404 1079124262 /nfs/dbraw/zinc/12/42/62/1079124262.db2.gz NLOJARDXPRASQA-SECBINFHSA-N 2 2 404.331 2.320 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616187 1079181514 /nfs/dbraw/zinc/18/15/14/1079181514.db2.gz OJLQAINKKSFDOB-SFTDATJTSA-N 2 2 419.614 2.416 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616187 1079181524 /nfs/dbraw/zinc/18/15/24/1079181524.db2.gz OJLQAINKKSFDOB-SFTDATJTSA-N 2 2 419.614 2.416 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616185 1079181618 /nfs/dbraw/zinc/18/16/18/1079181618.db2.gz OJLQAINKKSFDOB-NHCUHLMSSA-N 2 2 419.614 2.416 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616185 1079181627 /nfs/dbraw/zinc/18/16/27/1079181627.db2.gz OJLQAINKKSFDOB-NHCUHLMSSA-N 2 2 419.614 2.416 20 0 HEADLP CC[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746507082 1079295014 /nfs/dbraw/zinc/29/50/14/1079295014.db2.gz SBKUMLIPRSMALT-SIKLNZKXSA-N 2 2 400.523 2.031 20 0 HEADLP CC[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746507082 1079295021 /nfs/dbraw/zinc/29/50/21/1079295021.db2.gz SBKUMLIPRSMALT-SIKLNZKXSA-N 2 2 400.523 2.031 20 0 HEADLP CC[NH+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746507082 1079295027 /nfs/dbraw/zinc/29/50/27/1079295027.db2.gz SBKUMLIPRSMALT-SIKLNZKXSA-N 2 2 400.523 2.031 20 0 HEADLP CC[NH+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746507082 1079295032 /nfs/dbraw/zinc/29/50/32/1079295032.db2.gz SBKUMLIPRSMALT-SIKLNZKXSA-N 2 2 400.523 2.031 20 0 HEADLP C[NH+]1CCN(c2cc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ncn2)CC1 ZINC001169509863 1079317542 /nfs/dbraw/zinc/31/75/42/1079317542.db2.gz DJQOJOWYNFDQEU-WOJBJXKFSA-N 2 2 424.549 2.100 20 0 HEADLP CCC[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[N@@H+]1CCOC ZINC000766771888 1079354459 /nfs/dbraw/zinc/35/44/59/1079354459.db2.gz LLCKSXFIGYHGPL-IBGZPJMESA-N 2 2 400.527 2.218 20 0 HEADLP CCC[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[N@H+]1CCOC ZINC000766771888 1079354469 /nfs/dbraw/zinc/35/44/69/1079354469.db2.gz LLCKSXFIGYHGPL-IBGZPJMESA-N 2 2 400.527 2.218 20 0 HEADLP O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001169771346 1079405775 /nfs/dbraw/zinc/40/57/75/1079405775.db2.gz HRIQLHMSJKNPHW-NRFANRHFSA-N 2 2 422.577 2.427 20 0 HEADLP O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001169771346 1079405799 /nfs/dbraw/zinc/40/57/99/1079405799.db2.gz HRIQLHMSJKNPHW-NRFANRHFSA-N 2 2 422.577 2.427 20 0 HEADLP C[C@@H]1C(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C(=O)N1c1ccccc1 ZINC000738110755 1075965248 /nfs/dbraw/zinc/96/52/48/1075965248.db2.gz IYFABWOJRUEVLR-GOSISDBHSA-N 2 2 400.523 2.236 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917880 1076305056 /nfs/dbraw/zinc/30/50/56/1076305056.db2.gz SLPBNXQIPMJCEI-GUYCJALGSA-N 2 2 415.365 2.495 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917880 1076305060 /nfs/dbraw/zinc/30/50/60/1076305060.db2.gz SLPBNXQIPMJCEI-GUYCJALGSA-N 2 2 415.365 2.495 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000741014719 1076329467 /nfs/dbraw/zinc/32/94/67/1076329467.db2.gz PVKMGQSXZFNXCY-JOCHJYFZSA-N 2 2 401.551 2.303 20 0 HEADLP C[C@@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741020176 1076338934 /nfs/dbraw/zinc/33/89/34/1076338934.db2.gz YDFBWXWPZVRBSS-KSZLIROESA-N 2 2 403.523 2.262 20 0 HEADLP C[C@@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741020176 1076338941 /nfs/dbraw/zinc/33/89/41/1076338941.db2.gz YDFBWXWPZVRBSS-KSZLIROESA-N 2 2 403.523 2.262 20 0 HEADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741410610 1076513486 /nfs/dbraw/zinc/51/34/86/1076513486.db2.gz KQPKEIXCTBEBPG-HSZRJFAPSA-N 2 2 405.502 2.309 20 0 HEADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741410610 1076513492 /nfs/dbraw/zinc/51/34/92/1076513492.db2.gz KQPKEIXCTBEBPG-HSZRJFAPSA-N 2 2 405.502 2.309 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccnn3C3CCCCC3)CC2)CC1 ZINC000743901654 1077214099 /nfs/dbraw/zinc/21/40/99/1077214099.db2.gz MMZMDMANKRWAFJ-UHFFFAOYSA-N 2 2 416.570 2.002 20 0 HEADLP CC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744441348 1077396248 /nfs/dbraw/zinc/39/62/48/1077396248.db2.gz MUQGLGJRZRTEGF-HSZRJFAPSA-N 2 2 414.550 2.378 20 0 HEADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764795 1079520119 /nfs/dbraw/zinc/52/01/19/1079520119.db2.gz DPUUXKTWFGYPKW-OXQOHEQNSA-N 2 2 413.566 2.076 20 0 HEADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764795 1079520130 /nfs/dbraw/zinc/52/01/30/1079520130.db2.gz DPUUXKTWFGYPKW-OXQOHEQNSA-N 2 2 413.566 2.076 20 0 HEADLP Cc1c(-c2cc(CONC(=[NH2+])[C@@H]3C[N@H+](Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137466 1079699414 /nfs/dbraw/zinc/69/94/14/1079699414.db2.gz MHQHYCJFVBQKJW-FQEVSTJZSA-N 2 2 410.478 2.283 20 0 HEADLP Cc1c(-c2cc(CONC(=[NH2+])[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137466 1079699418 /nfs/dbraw/zinc/69/94/18/1079699418.db2.gz MHQHYCJFVBQKJW-FQEVSTJZSA-N 2 2 410.478 2.283 20 0 HEADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000785541724 1080050120 /nfs/dbraw/zinc/05/01/20/1080050120.db2.gz QPJFQTJVSWKGPI-HXUWFJFHSA-N 2 2 409.534 2.038 20 0 HEADLP CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)CCCn3cc[nH+]c3)c2c1 ZINC000767760511 1080074077 /nfs/dbraw/zinc/07/40/77/1080074077.db2.gz YRMAPBRYOMHSBP-UHFFFAOYSA-N 2 2 409.537 2.390 20 0 HEADLP CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)CCCn3cc[nH+]c3)c2c1 ZINC000767760511 1080074087 /nfs/dbraw/zinc/07/40/87/1080074087.db2.gz YRMAPBRYOMHSBP-UHFFFAOYSA-N 2 2 409.537 2.390 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC001109305014 1080588213 /nfs/dbraw/zinc/58/82/13/1080588213.db2.gz BTCQFHOQCCZJKX-JFHUYLGKSA-N 2 2 404.599 2.135 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCCC2CCCCC2)CC[N@H+]1C ZINC001109305014 1080588219 /nfs/dbraw/zinc/58/82/19/1080588219.db2.gz BTCQFHOQCCZJKX-JFHUYLGKSA-N 2 2 404.599 2.135 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC001109305014 1080588227 /nfs/dbraw/zinc/58/82/27/1080588227.db2.gz BTCQFHOQCCZJKX-JFHUYLGKSA-N 2 2 404.599 2.135 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC001109305014 1080588234 /nfs/dbraw/zinc/58/82/34/1080588234.db2.gz BTCQFHOQCCZJKX-JFHUYLGKSA-N 2 2 404.599 2.135 20 0 HEADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147517 1080961903 /nfs/dbraw/zinc/96/19/03/1080961903.db2.gz OYFMHQKGQHMNOZ-KZNAEPCWSA-N 2 2 410.603 2.458 20 0 HEADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170001064 1080992971 /nfs/dbraw/zinc/99/29/71/1080992971.db2.gz HTALIATZBGPDHI-QGZVFWFLSA-N 2 2 404.603 2.418 20 0 HEADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170001064 1080992993 /nfs/dbraw/zinc/99/29/93/1080992993.db2.gz HTALIATZBGPDHI-QGZVFWFLSA-N 2 2 404.603 2.418 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000769313393 1081039450 /nfs/dbraw/zinc/03/94/50/1081039450.db2.gz NJXRBHVBTTVMMX-KRWDZBQOSA-N 2 2 418.586 2.354 20 0 HEADLP Cn1ncc2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C[C@@H]2COc1cccnc1 ZINC001164682417 719597989 /nfs/dbraw/zinc/59/79/89/719597989.db2.gz BTUOOVMJQQCFGV-GOSISDBHSA-N 2 2 419.533 2.145 20 0 HEADLP Cc1c[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1N1CCCC1 ZINC001164817287 720286187 /nfs/dbraw/zinc/28/61/87/720286187.db2.gz CDKNTJHVJDBGIL-PMACEKPBSA-N 2 2 412.582 2.297 20 0 HEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]cc(C)cc4N)CC3)C2=O)cs1 ZINC001164821133 720375730 /nfs/dbraw/zinc/37/57/30/720375730.db2.gz WYSCDPQGXHTJQK-UHFFFAOYSA-N 2 2 400.552 2.050 20 0 HEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]cc(C)cc4N)CC3)C2=O)cs1 ZINC001164821133 720375737 /nfs/dbraw/zinc/37/57/37/720375737.db2.gz WYSCDPQGXHTJQK-UHFFFAOYSA-N 2 2 400.552 2.050 20 0 HEADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001164732246 720508199 /nfs/dbraw/zinc/50/81/99/720508199.db2.gz UCTTXEUWFINYCO-FQEVSTJZSA-N 2 2 417.561 2.429 20 0 HEADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001164732246 720508204 /nfs/dbraw/zinc/50/82/04/720508204.db2.gz UCTTXEUWFINYCO-FQEVSTJZSA-N 2 2 417.561 2.429 20 0 HEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747866 720837238 /nfs/dbraw/zinc/83/72/38/720837238.db2.gz RXGBJPFKVGVQNG-PCCBWWKXSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747866 720837239 /nfs/dbraw/zinc/83/72/39/720837239.db2.gz RXGBJPFKVGVQNG-PCCBWWKXSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751828 720846690 /nfs/dbraw/zinc/84/66/90/720846690.db2.gz ZASHZOBRTXMREO-PWRODBHTSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751828 720846691 /nfs/dbraw/zinc/84/66/91/720846691.db2.gz ZASHZOBRTXMREO-PWRODBHTSA-N 2 2 422.581 2.438 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCCn4cnc(COc5cccnc5)c4C3)[nH+]2)CC1 ZINC001164951333 721998253 /nfs/dbraw/zinc/99/82/53/721998253.db2.gz MDACRMOLQIYQBT-UHFFFAOYSA-N 2 2 419.533 2.414 20 0 HEADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)CC)ccc1F ZINC000746192411 1078821170 /nfs/dbraw/zinc/82/11/70/1078821170.db2.gz KHSZSUJNCBNSRC-MRXNPFEDSA-N 2 2 413.559 2.107 20 0 HEADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)CC)ccc1F ZINC000746192411 1078821175 /nfs/dbraw/zinc/82/11/75/1078821175.db2.gz KHSZSUJNCBNSRC-MRXNPFEDSA-N 2 2 413.559 2.107 20 0 HEADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC(F)(F)F ZINC001109737093 1079054171 /nfs/dbraw/zinc/05/41/71/1079054171.db2.gz UVFSUPWXTXYOCA-SUJAAXHWSA-N 2 2 400.445 2.214 20 0 HEADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC(F)(F)F ZINC001109737093 1079054175 /nfs/dbraw/zinc/05/41/75/1079054175.db2.gz UVFSUPWXTXYOCA-SUJAAXHWSA-N 2 2 400.445 2.214 20 0 HEADLP COc1ccc(CN2CC[C@H]([NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)CC2=O)cc1 ZINC001168938374 1079079656 /nfs/dbraw/zinc/07/96/56/1079079656.db2.gz BOQXFPVEBXWGPP-FQEVSTJZSA-N 2 2 409.534 2.415 20 0 HEADLP COc1ccc(CN2CC[C@H]([NH+]3CCN(c4cc(OC)cc[nH+]4)CC3)CC2=O)cc1 ZINC001168955538 1079090913 /nfs/dbraw/zinc/09/09/13/1079090913.db2.gz QFVMMKOLBDKZCA-IBGZPJMESA-N 2 2 410.518 2.412 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160519 1079169811 /nfs/dbraw/zinc/16/98/11/1079169811.db2.gz HHNMIAPJOHXOCT-LNWMGJJQSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169160519 1079169816 /nfs/dbraw/zinc/16/98/16/1079169816.db2.gz HHNMIAPJOHXOCT-LNWMGJJQSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160519 1079169790 /nfs/dbraw/zinc/16/97/90/1079169790.db2.gz HHNMIAPJOHXOCT-LNWMGJJQSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160519 1079169803 /nfs/dbraw/zinc/16/98/03/1079169803.db2.gz HHNMIAPJOHXOCT-LNWMGJJQSA-N 2 2 407.555 2.486 20 0 HEADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169758573 1079398367 /nfs/dbraw/zinc/39/83/67/1079398367.db2.gz YQPVIQOZEIGEEU-QRVBRYPASA-N 2 2 402.539 2.218 20 0 HEADLP CCOc1ccccc1N1C(=O)C(=O)N(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000738088740 1075959618 /nfs/dbraw/zinc/95/96/18/1075959618.db2.gz HPELQFADKOZCFJ-UHFFFAOYSA-N 2 2 416.522 2.390 20 0 HEADLP CCOc1ccccc1N1C(=O)C(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000738088740 1075959625 /nfs/dbraw/zinc/95/96/25/1075959625.db2.gz HPELQFADKOZCFJ-UHFFFAOYSA-N 2 2 416.522 2.390 20 0 HEADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740821844 1076247137 /nfs/dbraw/zinc/24/71/37/1076247137.db2.gz OLJOCHIVIZFADA-HNNXBMFYSA-N 2 2 415.987 2.232 20 0 HEADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740821844 1076247141 /nfs/dbraw/zinc/24/71/41/1076247141.db2.gz OLJOCHIVIZFADA-HNNXBMFYSA-N 2 2 415.987 2.232 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917878 1076305100 /nfs/dbraw/zinc/30/51/00/1076305100.db2.gz SLPBNXQIPMJCEI-CXAGYDPISA-N 2 2 415.365 2.495 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917878 1076305102 /nfs/dbraw/zinc/30/51/02/1076305102.db2.gz SLPBNXQIPMJCEI-CXAGYDPISA-N 2 2 415.365 2.495 20 0 HEADLP CC[C@@H](C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](CC)CC ZINC000741033246 1076332073 /nfs/dbraw/zinc/33/20/73/1076332073.db2.gz SCSAIABQERMKDI-SFHVURJKSA-N 2 2 419.570 2.221 20 0 HEADLP CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689740 1076587974 /nfs/dbraw/zinc/58/79/74/1076587974.db2.gz FSCDOOPWHOWIQE-KNQAVFIVSA-N 2 2 412.578 2.448 20 0 HEADLP CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689740 1076587978 /nfs/dbraw/zinc/58/79/78/1076587978.db2.gz FSCDOOPWHOWIQE-KNQAVFIVSA-N 2 2 412.578 2.448 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000742246581 1076805565 /nfs/dbraw/zinc/80/55/65/1076805565.db2.gz NDPNCRUGOIDZND-UHFFFAOYSA-N 2 2 404.518 2.253 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)[C@@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000743364770 1077033342 /nfs/dbraw/zinc/03/33/42/1077033342.db2.gz PGXWWTATFXEAFR-CVDCTZTESA-N 2 2 412.578 2.430 20 0 HEADLP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000745088130 1077725745 /nfs/dbraw/zinc/72/57/45/1077725745.db2.gz VDFVARSINIQHQF-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000745088130 1077725751 /nfs/dbraw/zinc/72/57/51/1077725751.db2.gz VDFVARSINIQHQF-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000745088130 1077725756 /nfs/dbraw/zinc/72/57/56/1077725756.db2.gz VDFVARSINIQHQF-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000745088130 1077725761 /nfs/dbraw/zinc/72/57/61/1077725761.db2.gz VDFVARSINIQHQF-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP COc1ccc([C@@H](CNC(=O)COC(=O)[C@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078818 1077734089 /nfs/dbraw/zinc/73/40/89/1077734089.db2.gz ICWHZAMQBCXEEV-NHCUHLMSSA-N 2 2 417.550 2.366 20 0 HEADLP COc1ccc([C@@H](CNC(=O)COC(=O)[C@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078818 1077734097 /nfs/dbraw/zinc/73/40/97/1077734097.db2.gz ICWHZAMQBCXEEV-NHCUHLMSSA-N 2 2 417.550 2.366 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931692 1079510722 /nfs/dbraw/zinc/51/07/22/1079510722.db2.gz MDIZXBRABNHMJF-FCEUIQTBSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931692 1079510728 /nfs/dbraw/zinc/51/07/28/1079510728.db2.gz MDIZXBRABNHMJF-FCEUIQTBSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931692 1079510735 /nfs/dbraw/zinc/51/07/35/1079510735.db2.gz MDIZXBRABNHMJF-FCEUIQTBSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931692 1079510742 /nfs/dbraw/zinc/51/07/42/1079510742.db2.gz MDIZXBRABNHMJF-FCEUIQTBSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376175 1079852908 /nfs/dbraw/zinc/85/29/08/1079852908.db2.gz HGTFRNMKXFMQGL-KZNAEPCWSA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376175 1079852911 /nfs/dbraw/zinc/85/29/11/1079852911.db2.gz HGTFRNMKXFMQGL-KZNAEPCWSA-N 2 2 423.602 2.242 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000785539219 1080047716 /nfs/dbraw/zinc/04/77/16/1080047716.db2.gz IHISZETXTXYKGV-UHFFFAOYSA-N 2 2 410.518 2.235 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000768105819 1080341216 /nfs/dbraw/zinc/34/12/16/1080341216.db2.gz VDNGBBXERBAJPO-QGZVFWFLSA-N 2 2 417.554 2.005 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000768105819 1080341223 /nfs/dbraw/zinc/34/12/23/1080341223.db2.gz VDNGBBXERBAJPO-QGZVFWFLSA-N 2 2 417.554 2.005 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)CC1 ZINC000768408417 1080529119 /nfs/dbraw/zinc/52/91/19/1080529119.db2.gz YTJQLLCCJMCMCP-SFHVURJKSA-N 2 2 404.518 2.319 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)CC1 ZINC000768408417 1080529135 /nfs/dbraw/zinc/52/91/35/1080529135.db2.gz YTJQLLCCJMCMCP-SFHVURJKSA-N 2 2 404.518 2.319 20 0 HEADLP CC1(C)CC([N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC(C)(C)N1O ZINC001169996424 1080801173 /nfs/dbraw/zinc/80/11/73/1080801173.db2.gz XVYUZUAEFPSYRL-UHFFFAOYSA-N 2 2 400.527 2.105 20 0 HEADLP CC1(C)CC([N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC(C)(C)N1O ZINC001169996424 1080801180 /nfs/dbraw/zinc/80/11/80/1080801180.db2.gz XVYUZUAEFPSYRL-UHFFFAOYSA-N 2 2 400.527 2.105 20 0 HEADLP CN(C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915397 1080854821 /nfs/dbraw/zinc/85/48/21/1080854821.db2.gz LZBUUOAIXQXOGI-SFHVURJKSA-N 2 2 418.586 2.307 20 0 HEADLP CN(C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915397 1080854823 /nfs/dbraw/zinc/85/48/23/1080854823.db2.gz LZBUUOAIXQXOGI-SFHVURJKSA-N 2 2 418.586 2.307 20 0 HEADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1cccs1 ZINC000769063044 1080919495 /nfs/dbraw/zinc/91/94/95/1080919495.db2.gz DELBWQFLWJLNQI-INIZCTEOSA-N 2 2 410.584 2.456 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)CC2)CC1 ZINC000787127467 1081035850 /nfs/dbraw/zinc/03/58/50/1081035850.db2.gz CZLIPRWXUZXEDT-LJQANCHMSA-N 2 2 412.937 2.370 20 0 HEADLP O=C1C[C@H](c2cc(F)c(F)c(F)c2)CN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000787217311 1081052499 /nfs/dbraw/zinc/05/24/99/1081052499.db2.gz YGXNTCAKHBYQRO-KRWDZBQOSA-N 2 2 411.468 2.422 20 0 HEADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4c2CC[NH2+]CC4)CC3)cc1 ZINC001164666607 719493411 /nfs/dbraw/zinc/49/34/11/719493411.db2.gz DVHRHSBAXYOWJZ-UHFFFAOYSA-N 2 2 411.525 2.175 20 0 HEADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4c2CC[NH2+]CC4)CC3)cc1 ZINC001164666607 719493418 /nfs/dbraw/zinc/49/34/18/719493418.db2.gz DVHRHSBAXYOWJZ-UHFFFAOYSA-N 2 2 411.525 2.175 20 0 HEADLP Cc1cc2ccccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)[nH+]1 ZINC001164708878 719915851 /nfs/dbraw/zinc/91/58/51/719915851.db2.gz LMVPFMYJERQRPN-UHFFFAOYSA-N 2 2 404.518 2.227 20 0 HEADLP COc1cc[nH+]c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164826477 720360002 /nfs/dbraw/zinc/36/00/02/720360002.db2.gz VPTJSKFANLWCSH-UHFFFAOYSA-N 2 2 401.536 2.168 20 0 HEADLP COc1cc[nH+]c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164826477 720360006 /nfs/dbraw/zinc/36/00/06/720360006.db2.gz VPTJSKFANLWCSH-UHFFFAOYSA-N 2 2 401.536 2.168 20 0 HEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747870 720837601 /nfs/dbraw/zinc/83/76/01/720837601.db2.gz RXGBJPFKVGVQNG-QHAWAJNXSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747870 720837602 /nfs/dbraw/zinc/83/76/02/720837602.db2.gz RXGBJPFKVGVQNG-QHAWAJNXSA-N 2 2 422.581 2.438 20 0 HEADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164923392 721860276 /nfs/dbraw/zinc/86/02/76/721860276.db2.gz AGTPSQOZZCOLHT-GOTSBHOMSA-N 2 2 406.578 2.250 20 0 HEADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164923392 721860277 /nfs/dbraw/zinc/86/02/77/721860277.db2.gz AGTPSQOZZCOLHT-GOTSBHOMSA-N 2 2 406.578 2.250 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)[nH+]2)CC1 ZINC001164959327 722029169 /nfs/dbraw/zinc/02/91/69/722029169.db2.gz QYYSNPFUWXZBFL-LQWHRVPQSA-N 2 2 413.497 2.183 20 0 HEADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CCO1 ZINC000745790593 1078645524 /nfs/dbraw/zinc/64/55/24/1078645524.db2.gz BISLXYBRNIKEDQ-SFHVURJKSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CCO1 ZINC000745790593 1078645528 /nfs/dbraw/zinc/64/55/28/1078645528.db2.gz BISLXYBRNIKEDQ-SFHVURJKSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@H]1C[NH+](CCNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCO1 ZINC000745790593 1078645531 /nfs/dbraw/zinc/64/55/31/1078645531.db2.gz BISLXYBRNIKEDQ-SFHVURJKSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@H]1C[NH+](CCNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000745790593 1078645535 /nfs/dbraw/zinc/64/55/35/1078645535.db2.gz BISLXYBRNIKEDQ-SFHVURJKSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383752 1078835031 /nfs/dbraw/zinc/83/50/31/1078835031.db2.gz WPZWJHSQQQRSEU-FUHWJXTLSA-N 2 2 404.559 2.106 20 0 HEADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383752 1078835035 /nfs/dbraw/zinc/83/50/35/1078835035.db2.gz WPZWJHSQQQRSEU-FUHWJXTLSA-N 2 2 404.559 2.106 20 0 HEADLP COC(=O)C1(C)CCC([NH+]2CCC([NH+]3CCC(N4CC[NH+](C)CC4)CC3)CC2)CC1 ZINC001168794017 1079002187 /nfs/dbraw/zinc/00/21/87/1079002187.db2.gz IRGVAAFNOKIMCI-UHFFFAOYSA-N 3 2 420.642 2.285 20 0 HEADLP CCOC(=O)Nc1c2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2oc1C(=O)OCC ZINC001169076737 1079114711 /nfs/dbraw/zinc/11/47/11/1079114711.db2.gz WOBZMRWAAVBOET-GFCCVEGCSA-N 2 2 416.434 2.226 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160521 1079169861 /nfs/dbraw/zinc/16/98/61/1079169861.db2.gz HHNMIAPJOHXOCT-ZEJGCCENSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160521 1079169866 /nfs/dbraw/zinc/16/98/66/1079169866.db2.gz HHNMIAPJOHXOCT-ZEJGCCENSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160521 1079169874 /nfs/dbraw/zinc/16/98/74/1079169874.db2.gz HHNMIAPJOHXOCT-ZEJGCCENSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169160521 1079169880 /nfs/dbraw/zinc/16/98/80/1079169880.db2.gz HHNMIAPJOHXOCT-ZEJGCCENSA-N 2 2 407.555 2.486 20 0 HEADLP Fc1ccc(N2CCN(c3cc(NCc4ncn5c4C[NH2+]CCC5)[nH+]cn3)CC2)cc1 ZINC001169241276 1079209053 /nfs/dbraw/zinc/20/90/53/1079209053.db2.gz SXMUHUTVZAPGOQ-UHFFFAOYSA-N 2 2 422.512 2.244 20 0 HEADLP Fc1ccc(N2CCN(c3cc(NCc4ncn5c4C[NH2+]CCC5)nc[nH+]3)CC2)cc1 ZINC001169241276 1079209060 /nfs/dbraw/zinc/20/90/60/1079209060.db2.gz SXMUHUTVZAPGOQ-UHFFFAOYSA-N 2 2 422.512 2.244 20 0 HEADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169424382 1079280907 /nfs/dbraw/zinc/28/09/07/1079280907.db2.gz ZCXBQPQZABAJGI-WOJBJXKFSA-N 2 2 404.507 2.138 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394649 1079320272 /nfs/dbraw/zinc/32/02/72/1079320272.db2.gz YRUROTZVPBNREJ-IHPCNDPISA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394649 1079320284 /nfs/dbraw/zinc/32/02/84/1079320284.db2.gz YRUROTZVPBNREJ-IHPCNDPISA-N 2 2 423.602 2.196 20 0 HEADLP C[NH+]1CCN(c2ncc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cn2)CC1 ZINC001169517545 1079328303 /nfs/dbraw/zinc/32/83/03/1079328303.db2.gz GNNZLSGGJSWKAN-CTNGQTDRSA-N 2 2 424.549 2.100 20 0 HEADLP CCOC(=O)N1CCC[C@H]([NH2+]C2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169661150 1079359191 /nfs/dbraw/zinc/35/91/91/1079359191.db2.gz FZCVLKLJZXOJAD-IBGZPJMESA-N 2 2 402.539 2.107 20 0 HEADLP CCOC(=O)N1CCC[C@@H]([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001169691718 1079372450 /nfs/dbraw/zinc/37/24/50/1079372450.db2.gz GCVHYEDMJMTRNV-GOSISDBHSA-N 2 2 404.559 2.133 20 0 HEADLP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001169691718 1079372454 /nfs/dbraw/zinc/37/24/54/1079372454.db2.gz GCVHYEDMJMTRNV-GOSISDBHSA-N 2 2 404.559 2.133 20 0 HEADLP CN(C(=O)C(C)(C)C1CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000766865616 1079456735 /nfs/dbraw/zinc/45/67/35/1079456735.db2.gz KYVLNZQUSQAEMM-UHFFFAOYSA-N 2 2 406.615 2.290 20 0 HEADLP CC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110859 1075965301 /nfs/dbraw/zinc/96/53/01/1075965301.db2.gz JXJGRZRYPRPWJT-HSZRJFAPSA-N 2 2 414.550 2.236 20 0 HEADLP CC1CCC2(CC1)OC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779740 1079502345 /nfs/dbraw/zinc/50/23/45/1079502345.db2.gz XAFROYJEIRMOTJ-IHWTVUROSA-N 2 2 408.587 2.118 20 0 HEADLP CC1CCC2(CC1)OC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779740 1079502351 /nfs/dbraw/zinc/50/23/51/1079502351.db2.gz XAFROYJEIRMOTJ-IHWTVUROSA-N 2 2 408.587 2.118 20 0 HEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247141 1076146405 /nfs/dbraw/zinc/14/64/05/1076146405.db2.gz MPZQEMUTFWNQAF-MOPGFXCFSA-N 2 2 419.570 2.419 20 0 HEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247141 1076146410 /nfs/dbraw/zinc/14/64/10/1076146410.db2.gz MPZQEMUTFWNQAF-MOPGFXCFSA-N 2 2 419.570 2.419 20 0 HEADLP COCCOC(=O)Nc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000740756578 1076227284 /nfs/dbraw/zinc/22/72/84/1076227284.db2.gz LOVZQGASOADBER-UHFFFAOYSA-N 2 2 421.542 2.371 20 0 HEADLP COCCOC(=O)Nc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000740756578 1076227291 /nfs/dbraw/zinc/22/72/91/1076227291.db2.gz LOVZQGASOADBER-UHFFFAOYSA-N 2 2 421.542 2.371 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000743077304 1076945406 /nfs/dbraw/zinc/94/54/06/1076945406.db2.gz CFPKNJDFBDBNRJ-UHFFFAOYSA-N 3 2 416.614 2.318 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000743077304 1076945414 /nfs/dbraw/zinc/94/54/14/1076945414.db2.gz CFPKNJDFBDBNRJ-UHFFFAOYSA-N 3 2 416.614 2.318 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000743106407 1076956803 /nfs/dbraw/zinc/95/68/03/1076956803.db2.gz CTNZFIZJPIPLTF-UHFFFAOYSA-N 2 2 411.550 2.386 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000743106407 1076956820 /nfs/dbraw/zinc/95/68/20/1076956820.db2.gz CTNZFIZJPIPLTF-UHFFFAOYSA-N 2 2 411.550 2.386 20 0 HEADLP CON(C)C(=O)c1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000743145768 1076976852 /nfs/dbraw/zinc/97/68/52/1076976852.db2.gz FNUNXXZIAUPVFJ-UHFFFAOYSA-N 2 2 417.554 2.392 20 0 HEADLP CCC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744441648 1077396001 /nfs/dbraw/zinc/39/60/01/1077396001.db2.gz QWJUZCYNDSEACV-UHFFFAOYSA-N 2 2 406.571 2.412 20 0 HEADLP Cc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000772048843 1079668973 /nfs/dbraw/zinc/66/89/73/1079668973.db2.gz MLZGAHXGBKVCHP-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000772048843 1079668975 /nfs/dbraw/zinc/66/89/75/1079668975.db2.gz MLZGAHXGBKVCHP-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+](C)[C@H]3CCSC3)CC2)cc1 ZINC000772048843 1079668978 /nfs/dbraw/zinc/66/89/78/1079668978.db2.gz MLZGAHXGBKVCHP-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+](C)[C@H]3CCSC3)CC2)cc1 ZINC000772048843 1079668984 /nfs/dbraw/zinc/66/89/84/1079668984.db2.gz MLZGAHXGBKVCHP-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP CC[N@H+](CCCOC(=O)NC(N)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000772208517 1079740665 /nfs/dbraw/zinc/74/06/65/1079740665.db2.gz GLEMRSJDEMCDQE-UHFFFAOYSA-N 2 2 406.531 2.394 20 0 HEADLP CC[N@@H+](CCCOC(=O)NC(N)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000772208517 1079740681 /nfs/dbraw/zinc/74/06/81/1079740681.db2.gz GLEMRSJDEMCDQE-UHFFFAOYSA-N 2 2 406.531 2.394 20 0 HEADLP COc1cccc([C@@H]2CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001169977195 1080212666 /nfs/dbraw/zinc/21/26/66/1080212666.db2.gz ZPVWMDVXDSWXFO-OALUTQOASA-N 2 2 420.554 2.013 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(c4c(F)cccc4F)=NO3)CC2)CC1 ZINC000786028561 1080340762 /nfs/dbraw/zinc/34/07/62/1080340762.db2.gz PEBCYNWRLHWULY-IBGZPJMESA-N 2 2 406.477 2.133 20 0 HEADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181965 1080483282 /nfs/dbraw/zinc/48/32/82/1080483282.db2.gz IPICLBUSRGDJBK-BHIYHBOVSA-N 2 2 408.587 2.259 20 0 HEADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181965 1080483288 /nfs/dbraw/zinc/48/32/88/1080483288.db2.gz IPICLBUSRGDJBK-BHIYHBOVSA-N 2 2 408.587 2.259 20 0 HEADLP O=C1C[C@@H](c2cc(F)c(F)c(F)c2)CN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000787217312 1081052563 /nfs/dbraw/zinc/05/25/63/1081052563.db2.gz YGXNTCAKHBYQRO-QGZVFWFLSA-N 2 2 411.468 2.422 20 0 HEADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000769384555 1081059640 /nfs/dbraw/zinc/05/96/40/1081059640.db2.gz LWIQOEYBQMNIFX-LJQANCHMSA-N 2 2 405.539 2.497 20 0 HEADLP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000787287228 1081093387 /nfs/dbraw/zinc/09/33/87/1081093387.db2.gz BFLILLFQZJYDSY-UHFFFAOYSA-N 2 2 412.534 2.481 20 0 HEADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)CC1 ZINC001164618873 719034124 /nfs/dbraw/zinc/03/41/24/719034124.db2.gz ZRHRXMCUFBSKQO-UHFFFAOYSA-N 2 2 419.595 2.274 20 0 HEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164629713 719135244 /nfs/dbraw/zinc/13/52/44/719135244.db2.gz CIPZDWPINNLHAJ-HNNXBMFYSA-N 2 2 415.563 2.117 20 0 HEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746687 720807870 /nfs/dbraw/zinc/80/78/70/720807870.db2.gz MOPHPDJQYJIHHI-SLFFLAALSA-N 2 2 408.554 2.048 20 0 HEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746687 720807871 /nfs/dbraw/zinc/80/78/71/720807871.db2.gz MOPHPDJQYJIHHI-SLFFLAALSA-N 2 2 408.554 2.048 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752099 720808118 /nfs/dbraw/zinc/80/81/18/720808118.db2.gz YOWVDRGBQOYCJI-QHAWAJNXSA-N 2 2 422.581 2.356 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752099 720808119 /nfs/dbraw/zinc/80/81/19/720808119.db2.gz YOWVDRGBQOYCJI-QHAWAJNXSA-N 2 2 422.581 2.356 20 0 HEADLP C[N@H+](Cc1ccc(N2CCO[C@@]3(C2)COCC[NH+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795923 /nfs/dbraw/zinc/79/59/23/721795923.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 2 2 423.561 2.179 20 0 HEADLP C[N@@H+](Cc1ccc(N2CCO[C@@]3(C2)COCC[NH+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795927 /nfs/dbraw/zinc/79/59/27/721795927.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 2 2 423.561 2.179 20 0 HEADLP C[NH+](Cc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795930 /nfs/dbraw/zinc/79/59/30/721795930.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 2 2 423.561 2.179 20 0 HEADLP C[NH+](Cc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795935 /nfs/dbraw/zinc/79/59/35/721795935.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 2 2 423.561 2.179 20 0 HEADLP COc1ccc2c[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)cc2c1 ZINC001164996798 722235970 /nfs/dbraw/zinc/23/59/70/722235970.db2.gz JFISBYFEYRXYRO-UHFFFAOYSA-N 2 2 404.518 2.390 20 0 HEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002920 722255448 /nfs/dbraw/zinc/25/54/48/722255448.db2.gz XLVSXXZVWNWGCR-SREVYHEPSA-N 2 2 413.522 2.261 20 0 HEADLP Cc1cc([C@](C)(O)CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)o1 ZINC000745877938 1078681813 /nfs/dbraw/zinc/68/18/13/1078681813.db2.gz FRBQKPKZJNHHED-OAQYLSRUSA-N 2 2 406.571 2.353 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000746304098 1078848183 /nfs/dbraw/zinc/84/81/83/1078848183.db2.gz HRVRXJCGXFRZCG-RUZDIDTESA-N 2 2 422.573 2.475 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000746304098 1078848190 /nfs/dbraw/zinc/84/81/90/1078848190.db2.gz HRVRXJCGXFRZCG-RUZDIDTESA-N 2 2 422.573 2.475 20 0 HEADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000766367774 1078921653 /nfs/dbraw/zinc/92/16/53/1078921653.db2.gz ZXNASBMMOHZBJZ-NRFANRHFSA-N 2 2 422.529 2.328 20 0 HEADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766367774 1078921657 /nfs/dbraw/zinc/92/16/57/1078921657.db2.gz ZXNASBMMOHZBJZ-NRFANRHFSA-N 2 2 422.529 2.328 20 0 HEADLP CCOC1CC(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)([NH+]2CCOCC2)C1 ZINC000770722061 1078949271 /nfs/dbraw/zinc/94/92/71/1078949271.db2.gz RGHCYLSIUUOYFR-UHFFFAOYSA-N 2 2 422.614 2.353 20 0 HEADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(N2CCCCC2)nc1OCc1ccccc1 ZINC001169075355 1079125931 /nfs/dbraw/zinc/12/59/31/1079125931.db2.gz YBXCASTUIPQOEC-GOSISDBHSA-N 2 2 408.506 2.094 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(=O)n3c(n1)CN(C(=O)OC(C)(C)C)CCC3)C2 ZINC001169094913 1079127477 /nfs/dbraw/zinc/12/74/77/1079127477.db2.gz NJKSTHPLMXMHPL-VBUUOAMHSA-N 2 2 417.554 2.099 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(=O)n3c(n1)CN(C(=O)OC(C)(C)C)CCC3)C2 ZINC001169094913 1079127488 /nfs/dbraw/zinc/12/74/88/1079127488.db2.gz NJKSTHPLMXMHPL-VBUUOAMHSA-N 2 2 417.554 2.099 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131778 1079151274 /nfs/dbraw/zinc/15/12/74/1079151274.db2.gz YZFBUDIBDYCKMR-SUWCGCSTSA-N 2 2 406.571 2.203 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131778 1079151279 /nfs/dbraw/zinc/15/12/79/1079151279.db2.gz YZFBUDIBDYCKMR-SUWCGCSTSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131778 1079151282 /nfs/dbraw/zinc/15/12/82/1079151282.db2.gz YZFBUDIBDYCKMR-SUWCGCSTSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131778 1079151288 /nfs/dbraw/zinc/15/12/88/1079151288.db2.gz YZFBUDIBDYCKMR-SUWCGCSTSA-N 2 2 406.571 2.203 20 0 HEADLP Ic1ccn2cc[nH+]c2c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169241773 1079209088 /nfs/dbraw/zinc/20/90/88/1079209088.db2.gz WMWSBGQGURVDRJ-UHFFFAOYSA-N 2 2 408.247 2.241 20 0 HEADLP O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001169771348 1079405575 /nfs/dbraw/zinc/40/55/75/1079405575.db2.gz HRIQLHMSJKNPHW-OAQYLSRUSA-N 2 2 422.577 2.427 20 0 HEADLP O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001169771348 1079405582 /nfs/dbraw/zinc/40/55/82/1079405582.db2.gz HRIQLHMSJKNPHW-OAQYLSRUSA-N 2 2 422.577 2.427 20 0 HEADLP C[NH+](C)CC1CC[NH+](Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)CC1 ZINC000738077317 1075958671 /nfs/dbraw/zinc/95/86/71/1075958671.db2.gz SEMFQTRCOQGWBN-UHFFFAOYSA-N 2 2 416.595 2.471 20 0 HEADLP CC1CCC2(CC1)OC[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779736 1079501978 /nfs/dbraw/zinc/50/19/78/1079501978.db2.gz XAFROYJEIRMOTJ-GWFKXHKXSA-N 2 2 408.587 2.118 20 0 HEADLP CC1CCC2(CC1)OC[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779736 1079501989 /nfs/dbraw/zinc/50/19/89/1079501989.db2.gz XAFROYJEIRMOTJ-GWFKXHKXSA-N 2 2 408.587 2.118 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)CC2)c(F)c1 ZINC000739926570 1076093831 /nfs/dbraw/zinc/09/38/31/1076093831.db2.gz HQMXECVLWADLBX-IBGZPJMESA-N 2 2 416.541 2.095 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)CC2)c(F)c1 ZINC000739926570 1076093846 /nfs/dbraw/zinc/09/38/46/1076093846.db2.gz HQMXECVLWADLBX-IBGZPJMESA-N 2 2 416.541 2.095 20 0 HEADLP CN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000741689752 1076588148 /nfs/dbraw/zinc/58/81/48/1076588148.db2.gz GDCQGCJQPJBZEL-QGZVFWFLSA-N 2 2 404.486 2.023 20 0 HEADLP CN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000741689752 1076588150 /nfs/dbraw/zinc/58/81/50/1076588150.db2.gz GDCQGCJQPJBZEL-QGZVFWFLSA-N 2 2 404.486 2.023 20 0 HEADLP C[NH+]1CCC(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)([NH+]2CCCCC2)CC1 ZINC000742010116 1076706054 /nfs/dbraw/zinc/70/60/54/1076706054.db2.gz BAOHWWBOVIEWBA-HXUWFJFHSA-N 2 2 402.514 2.385 20 0 HEADLP C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000742011285 1076706757 /nfs/dbraw/zinc/70/67/57/1076706757.db2.gz NAKVCRXDRISXBP-SFHVURJKSA-N 2 2 416.541 2.245 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000742246654 1076805383 /nfs/dbraw/zinc/80/53/83/1076805383.db2.gz RXFWJKBNMUDFAJ-UHFFFAOYSA-N 2 2 404.518 2.404 20 0 HEADLP C[C@H](CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000744868674 1077629258 /nfs/dbraw/zinc/62/92/58/1077629258.db2.gz GSDRBJHZZZTDDW-LJQANCHMSA-N 2 2 404.555 2.071 20 0 HEADLP C[N@H+](CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCSC1 ZINC000767117323 1079684660 /nfs/dbraw/zinc/68/46/60/1079684660.db2.gz QVQHHOUXFNMWJX-GOSISDBHSA-N 2 2 423.604 2.154 20 0 HEADLP C[N@@H+](CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCSC1 ZINC000767117323 1079684674 /nfs/dbraw/zinc/68/46/74/1079684674.db2.gz QVQHHOUXFNMWJX-GOSISDBHSA-N 2 2 423.604 2.154 20 0 HEADLP CC(C)([NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CCOCC1 ZINC000786152159 1080427732 /nfs/dbraw/zinc/42/77/32/1080427732.db2.gz WWVGBNGQULCEIL-UHFFFAOYSA-N 2 2 401.551 2.061 20 0 HEADLP O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000786885603 1080886065 /nfs/dbraw/zinc/88/60/65/1080886065.db2.gz YHEUUUMEZKYKSC-FQEVSTJZSA-N 2 2 421.582 2.088 20 0 HEADLP O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000786885603 1080886069 /nfs/dbraw/zinc/88/60/69/1080886069.db2.gz YHEUUUMEZKYKSC-FQEVSTJZSA-N 2 2 421.582 2.088 20 0 HEADLP CCOC(=O)C1=C(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)NC(=O)N[C@@H]1C ZINC000787299524 1081097318 /nfs/dbraw/zinc/09/73/18/1081097318.db2.gz INDASOWCZHGTKM-BRWVUGGUSA-N 2 2 414.550 2.251 20 0 HEADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501571 1081098834 /nfs/dbraw/zinc/09/88/34/1081098834.db2.gz BPXAQCFYNWQZIJ-WMLDXEAASA-N 2 2 402.461 2.328 20 0 HEADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501571 1081098837 /nfs/dbraw/zinc/09/88/37/1081098837.db2.gz BPXAQCFYNWQZIJ-WMLDXEAASA-N 2 2 402.461 2.328 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752097 720808366 /nfs/dbraw/zinc/80/83/66/720808366.db2.gz YOWVDRGBQOYCJI-PWRODBHTSA-N 2 2 422.581 2.356 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752097 720808368 /nfs/dbraw/zinc/80/83/68/720808368.db2.gz YOWVDRGBQOYCJI-PWRODBHTSA-N 2 2 422.581 2.356 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741182 720839078 /nfs/dbraw/zinc/83/90/78/720839078.db2.gz DSAXBLCAVCMTOY-VAMGGRTRSA-N 2 2 410.570 2.294 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741182 720839081 /nfs/dbraw/zinc/83/90/81/720839081.db2.gz DSAXBLCAVCMTOY-VAMGGRTRSA-N 2 2 410.570 2.294 20 0 HEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@@H]2C1 ZINC001164864404 720887214 /nfs/dbraw/zinc/88/72/14/720887214.db2.gz VRAYGXZGOZQSPB-IIBYNOLFSA-N 2 2 401.507 2.426 20 0 HEADLP COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@@H]2C1 ZINC001164864404 720887216 /nfs/dbraw/zinc/88/72/16/720887216.db2.gz VRAYGXZGOZQSPB-IIBYNOLFSA-N 2 2 401.507 2.426 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164808868 721565605 /nfs/dbraw/zinc/56/56/05/721565605.db2.gz WBINLRIYAUZEGI-ZFGGDYGUSA-N 2 2 422.577 2.097 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164808868 721565609 /nfs/dbraw/zinc/56/56/09/721565609.db2.gz WBINLRIYAUZEGI-ZFGGDYGUSA-N 2 2 422.577 2.097 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164800384 721569782 /nfs/dbraw/zinc/56/97/82/721569782.db2.gz FIOPSKUUKUCOTM-MIZPHKNDSA-N 2 2 409.534 2.181 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164800384 721569784 /nfs/dbraw/zinc/56/97/84/721569784.db2.gz FIOPSKUUKUCOTM-MIZPHKNDSA-N 2 2 409.534 2.181 20 0 HEADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164951081 721980005 /nfs/dbraw/zinc/98/00/05/721980005.db2.gz XOAZREVURQIIOY-UHFFFAOYSA-N 2 2 402.502 2.238 20 0 HEADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164951081 721980008 /nfs/dbraw/zinc/98/00/08/721980008.db2.gz XOAZREVURQIIOY-UHFFFAOYSA-N 2 2 402.502 2.238 20 0 HEADLP c1ccc(C[NH+]2CCc3ncnc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)c3C2)cc1 ZINC001164965808 722068726 /nfs/dbraw/zinc/06/87/26/722068726.db2.gz ODHKJHVATPVMDZ-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP c1ccc(C[NH+]2CCc3ncnc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)c3C2)cc1 ZINC001164965808 722068728 /nfs/dbraw/zinc/06/87/28/722068728.db2.gz ODHKJHVATPVMDZ-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5C[NH+](CC6CC6)C[C@H](C4)O5)c3C2)cc1 ZINC001164965808 722068731 /nfs/dbraw/zinc/06/87/31/722068731.db2.gz ODHKJHVATPVMDZ-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5C[NH+](CC6CC6)C[C@H](C4)O5)c3C2)cc1 ZINC001164965808 722068732 /nfs/dbraw/zinc/06/87/32/722068732.db2.gz ODHKJHVATPVMDZ-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP CC[N@@H+]1CCO[C@H](C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000746103174 1078787500 /nfs/dbraw/zinc/78/75/00/1078787500.db2.gz QOCZBMIQJIOQOS-QFIPXVFZSA-N 2 2 408.546 2.146 20 0 HEADLP CC[N@H+]1CCO[C@H](C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000746103174 1078787504 /nfs/dbraw/zinc/78/75/04/1078787504.db2.gz QOCZBMIQJIOQOS-QFIPXVFZSA-N 2 2 408.546 2.146 20 0 HEADLP C[NH+]1CCC(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)([NH+]2CCCCC2)CC1 ZINC000746314494 1078854585 /nfs/dbraw/zinc/85/45/85/1078854585.db2.gz DBJVIMQNIDPUCD-UHFFFAOYSA-N 2 2 408.587 2.310 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(N(C)CC(F)F)CC3)CC2)c1 ZINC000746483200 1079040736 /nfs/dbraw/zinc/04/07/36/1079040736.db2.gz VEAVCVDEYPNLBK-UHFFFAOYSA-N 2 2 408.537 2.301 20 0 HEADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352377 1079248958 /nfs/dbraw/zinc/24/89/58/1079248958.db2.gz OYPMQJTWDCFJJR-VQTJNVASSA-N 2 2 404.507 2.138 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392773 1079263184 /nfs/dbraw/zinc/26/31/84/1079263184.db2.gz QRUGOUYMEIXNDV-BTHPGYMESA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392773 1079263195 /nfs/dbraw/zinc/26/31/95/1079263195.db2.gz QRUGOUYMEIXNDV-BTHPGYMESA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392773 1079263211 /nfs/dbraw/zinc/26/32/11/1079263211.db2.gz QRUGOUYMEIXNDV-BTHPGYMESA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392773 1079263223 /nfs/dbraw/zinc/26/32/23/1079263223.db2.gz QRUGOUYMEIXNDV-BTHPGYMESA-N 2 2 423.579 2.085 20 0 HEADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1nncn1-c1ccccc1 ZINC000766712746 1079300562 /nfs/dbraw/zinc/30/05/62/1079300562.db2.gz WMJRDQRNEWKHGH-UHFFFAOYSA-N 2 2 419.533 2.474 20 0 HEADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000766881025 1079477453 /nfs/dbraw/zinc/47/74/53/1079477453.db2.gz UDQKXNKTLJAMHA-LJQANCHMSA-N 2 2 404.555 2.276 20 0 HEADLP COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000738070768 1075957508 /nfs/dbraw/zinc/95/75/08/1075957508.db2.gz AHDWTGVXIBBHKO-QHCPKHFHSA-N 2 2 414.550 2.314 20 0 HEADLP C[C@H]1CCC[C@H](C)C12NC(=O)N(C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738112097 1075966753 /nfs/dbraw/zinc/96/67/53/1075966753.db2.gz SABWPLZHOYTSSV-ROUUACIJSA-N 2 2 406.571 2.125 20 0 HEADLP CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000738212242 1075974476 /nfs/dbraw/zinc/97/44/76/1075974476.db2.gz XZOQGIBBQDPKLW-OAQYLSRUSA-N 2 2 422.957 2.497 20 0 HEADLP C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779534 1079500314 /nfs/dbraw/zinc/50/03/14/1079500314.db2.gz UWAIIFBGHNVEME-WMZOPIPTSA-N 2 2 411.591 2.100 20 0 HEADLP C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779534 1079500317 /nfs/dbraw/zinc/50/03/17/1079500317.db2.gz UWAIIFBGHNVEME-WMZOPIPTSA-N 2 2 411.591 2.100 20 0 HEADLP CC[C@H](C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](CC)CC ZINC000741033245 1076332166 /nfs/dbraw/zinc/33/21/66/1076332166.db2.gz SCSAIABQERMKDI-GOSISDBHSA-N 2 2 419.570 2.221 20 0 HEADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000742011283 1076706659 /nfs/dbraw/zinc/70/66/59/1076706659.db2.gz NAKVCRXDRISXBP-GOSISDBHSA-N 2 2 416.541 2.245 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742598380 1076854664 /nfs/dbraw/zinc/85/46/64/1076854664.db2.gz ANAYQNZAQLBQDR-LJQANCHMSA-N 2 2 408.587 2.451 20 0 HEADLP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743006970 1076922897 /nfs/dbraw/zinc/92/28/97/1076922897.db2.gz MYSZXSBGKNQLHM-OAQYLSRUSA-N 2 2 402.608 2.322 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)[C@@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000743364773 1077033281 /nfs/dbraw/zinc/03/32/81/1077033281.db2.gz PGXWWTATFXEAFR-WMZHIEFXSA-N 2 2 412.578 2.430 20 0 HEADLP CN(C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625621 1077082261 /nfs/dbraw/zinc/08/22/61/1077082261.db2.gz FBYFKTVSMPYZQI-IEBWSBKVSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625621 1077082267 /nfs/dbraw/zinc/08/22/67/1077082267.db2.gz FBYFKTVSMPYZQI-IEBWSBKVSA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427137 1077389216 /nfs/dbraw/zinc/38/92/16/1077389216.db2.gz ZNDKIVMPHRWJJC-PZJWPPBQSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427137 1077389224 /nfs/dbraw/zinc/38/92/24/1077389224.db2.gz ZNDKIVMPHRWJJC-PZJWPPBQSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000744427137 1077389230 /nfs/dbraw/zinc/38/92/30/1077389230.db2.gz ZNDKIVMPHRWJJC-PZJWPPBQSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000744427137 1077389237 /nfs/dbraw/zinc/38/92/37/1077389237.db2.gz ZNDKIVMPHRWJJC-PZJWPPBQSA-N 2 2 416.566 2.130 20 0 HEADLP Cc1ccccc1[C@]1(C)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744439834 1077395240 /nfs/dbraw/zinc/39/52/40/1077395240.db2.gz CMPUPHLSWYLZIR-QHCPKHFHSA-N 2 2 414.550 2.296 20 0 HEADLP CC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744441349 1077396410 /nfs/dbraw/zinc/39/64/10/1077396410.db2.gz MUQGLGJRZRTEGF-QHCPKHFHSA-N 2 2 414.550 2.378 20 0 HEADLP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000772044335 1079666083 /nfs/dbraw/zinc/66/60/83/1079666083.db2.gz HFUMHODPDBQYFC-FQEVSTJZSA-N 2 2 419.591 2.056 20 0 HEADLP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000772044335 1079666087 /nfs/dbraw/zinc/66/60/87/1079666087.db2.gz HFUMHODPDBQYFC-FQEVSTJZSA-N 2 2 419.591 2.056 20 0 HEADLP CCOC(=O)C1C(C[N@H+](C)CCCn2cc[nH+]c2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767450773 1079877995 /nfs/dbraw/zinc/87/79/95/1079877995.db2.gz VCANGCWJESPORP-HXUWFJFHSA-N 2 2 411.506 2.385 20 0 HEADLP CCOC(=O)C1C(C[N@@H+](C)CCCn2cc[nH+]c2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767450773 1079877997 /nfs/dbraw/zinc/87/79/97/1079877997.db2.gz VCANGCWJESPORP-HXUWFJFHSA-N 2 2 411.506 2.385 20 0 HEADLP CCOC(=O)C1=C(C[N@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000767450773 1079877999 /nfs/dbraw/zinc/87/79/99/1079877999.db2.gz VCANGCWJESPORP-HXUWFJFHSA-N 2 2 411.506 2.385 20 0 HEADLP CCOC(=O)C1=C(C[N@@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000767450773 1079878003 /nfs/dbraw/zinc/87/80/03/1079878003.db2.gz VCANGCWJESPORP-HXUWFJFHSA-N 2 2 411.506 2.385 20 0 HEADLP COc1cccc([C@@H]2CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001169977193 1080212803 /nfs/dbraw/zinc/21/28/03/1080212803.db2.gz ZPVWMDVXDSWXFO-MOPGFXCFSA-N 2 2 420.554 2.013 20 0 HEADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001169997519 1080840743 /nfs/dbraw/zinc/84/07/43/1080840743.db2.gz ASPJCIJPQZTKHV-NRFANRHFSA-N 2 2 401.551 2.373 20 0 HEADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001169997519 1080840746 /nfs/dbraw/zinc/84/07/46/1080840746.db2.gz ASPJCIJPQZTKHV-NRFANRHFSA-N 2 2 401.551 2.373 20 0 HEADLP O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786877590 1080865792 /nfs/dbraw/zinc/86/57/92/1080865792.db2.gz GQFBXXSMDFXHGB-OAQYLSRUSA-N 2 2 415.534 2.408 20 0 HEADLP O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786877590 1080865797 /nfs/dbraw/zinc/86/57/97/1080865797.db2.gz GQFBXXSMDFXHGB-OAQYLSRUSA-N 2 2 415.534 2.408 20 0 HEADLP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528738 1081110232 /nfs/dbraw/zinc/11/02/32/1081110232.db2.gz YXIVRGBMWAMPOH-PXNSSMCTSA-N 2 2 401.551 2.468 20 0 HEADLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528738 1081110234 /nfs/dbraw/zinc/11/02/34/1081110234.db2.gz YXIVRGBMWAMPOH-PXNSSMCTSA-N 2 2 401.551 2.468 20 0 HEADLP Cc1[nH+]c2c(n1-c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)CC[NH2+]CC2 ZINC001164428295 718949350 /nfs/dbraw/zinc/94/93/50/718949350.db2.gz JVCSMCOVVBOGTK-UHFFFAOYSA-N 2 2 412.563 2.323 20 0 HEADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001164839561 720566015 /nfs/dbraw/zinc/56/60/15/720566015.db2.gz QMRVPSRSVSAULE-FSSWDIPSSA-N 3 2 423.609 2.408 20 0 HEADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001164839561 720566032 /nfs/dbraw/zinc/56/60/32/720566032.db2.gz QMRVPSRSVSAULE-FSSWDIPSSA-N 3 2 423.609 2.408 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741174 720838891 /nfs/dbraw/zinc/83/88/91/720838891.db2.gz DSAXBLCAVCMTOY-HSALFYBXSA-N 2 2 410.570 2.294 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741174 720838894 /nfs/dbraw/zinc/83/88/94/720838894.db2.gz DSAXBLCAVCMTOY-HSALFYBXSA-N 2 2 410.570 2.294 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2)CC1 ZINC001164862746 721033424 /nfs/dbraw/zinc/03/34/24/721033424.db2.gz PPNZLVFENBEMQX-UHFFFAOYSA-N 3 2 407.522 2.059 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)[nH+]2)CC1 ZINC001164878067 721249074 /nfs/dbraw/zinc/24/90/74/721249074.db2.gz SBVCRLNCTJWGMP-HKBOAZHASA-N 2 2 409.534 2.434 20 0 HEADLP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874399 721282606 /nfs/dbraw/zinc/28/26/06/721282606.db2.gz QDFMUKREBUNIMR-UHFFFAOYSA-N 2 2 414.554 2.019 20 0 HEADLP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874399 721282610 /nfs/dbraw/zinc/28/26/10/721282610.db2.gz QDFMUKREBUNIMR-UHFFFAOYSA-N 2 2 414.554 2.019 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)[nH+]2)CC1 ZINC001164874664 721317888 /nfs/dbraw/zinc/31/78/88/721317888.db2.gz DMIKYWXJBISALA-FQEVSTJZSA-N 2 2 405.546 2.334 20 0 HEADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164785988 721450169 /nfs/dbraw/zinc/45/01/69/721450169.db2.gz LEOSIBJVARDJFQ-IBGZPJMESA-N 2 2 403.571 2.277 20 0 HEADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164785988 721450173 /nfs/dbraw/zinc/45/01/73/721450173.db2.gz LEOSIBJVARDJFQ-IBGZPJMESA-N 2 2 403.571 2.277 20 0 HEADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164785988 721450176 /nfs/dbraw/zinc/45/01/76/721450176.db2.gz LEOSIBJVARDJFQ-IBGZPJMESA-N 2 2 403.571 2.277 20 0 HEADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164785988 721450179 /nfs/dbraw/zinc/45/01/79/721450179.db2.gz LEOSIBJVARDJFQ-IBGZPJMESA-N 2 2 403.571 2.277 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CCO1 ZINC000745790592 1078645611 /nfs/dbraw/zinc/64/56/11/1078645611.db2.gz BISLXYBRNIKEDQ-GOSISDBHSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CCO1 ZINC000745790592 1078645617 /nfs/dbraw/zinc/64/56/17/1078645617.db2.gz BISLXYBRNIKEDQ-GOSISDBHSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCO1 ZINC000745790592 1078645621 /nfs/dbraw/zinc/64/56/21/1078645621.db2.gz BISLXYBRNIKEDQ-GOSISDBHSA-N 2 2 400.523 2.432 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000745790592 1078645624 /nfs/dbraw/zinc/64/56/24/1078645624.db2.gz BISLXYBRNIKEDQ-GOSISDBHSA-N 2 2 400.523 2.432 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC([N@H+](C)CCCO)CC3)CC2)cc1 ZINC000745869866 1078669138 /nfs/dbraw/zinc/66/91/38/1078669138.db2.gz WMSCXASEXDDLLJ-UHFFFAOYSA-N 2 2 417.598 2.210 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC([N@@H+](C)CCCO)CC3)CC2)cc1 ZINC000745869866 1078669141 /nfs/dbraw/zinc/66/91/41/1078669141.db2.gz WMSCXASEXDDLLJ-UHFFFAOYSA-N 2 2 417.598 2.210 20 0 HEADLP CCOC(=O)N(C)C1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000745878906 1078682737 /nfs/dbraw/zinc/68/27/37/1078682737.db2.gz ULVVAFHNRRTYPS-UHFFFAOYSA-N 2 2 423.602 2.199 20 0 HEADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943274 1078708031 /nfs/dbraw/zinc/70/80/31/1078708031.db2.gz AEFSQEGZJBZXBD-SFHVURJKSA-N 2 2 417.554 2.062 20 0 HEADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943274 1078708035 /nfs/dbraw/zinc/70/80/35/1078708035.db2.gz AEFSQEGZJBZXBD-SFHVURJKSA-N 2 2 417.554 2.062 20 0 HEADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000766367775 1078921552 /nfs/dbraw/zinc/92/15/52/1078921552.db2.gz ZXNASBMMOHZBJZ-OAQYLSRUSA-N 2 2 422.529 2.328 20 0 HEADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766367775 1078921557 /nfs/dbraw/zinc/92/15/57/1078921557.db2.gz ZXNASBMMOHZBJZ-OAQYLSRUSA-N 2 2 422.529 2.328 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770683837 1078933066 /nfs/dbraw/zinc/93/30/66/1078933066.db2.gz WJHCHORVFFEZHN-FQEVSTJZSA-N 2 2 416.566 2.130 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770683837 1078933072 /nfs/dbraw/zinc/93/30/72/1078933072.db2.gz WJHCHORVFFEZHN-FQEVSTJZSA-N 2 2 416.566 2.130 20 0 HEADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850755 1079061771 /nfs/dbraw/zinc/06/17/71/1079061771.db2.gz QVVOERFPZLYKLV-NNMXDRDESA-N 2 2 411.587 2.445 20 0 HEADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850755 1079061779 /nfs/dbraw/zinc/06/17/79/1079061779.db2.gz QVVOERFPZLYKLV-NNMXDRDESA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850755 1079061780 /nfs/dbraw/zinc/06/17/80/1079061780.db2.gz QVVOERFPZLYKLV-NNMXDRDESA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850755 1079061785 /nfs/dbraw/zinc/06/17/85/1079061785.db2.gz QVVOERFPZLYKLV-NNMXDRDESA-N 2 2 411.587 2.445 20 0 HEADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CCOCC4)C3)CC2=O)cc1 ZINC001168916364 1079075057 /nfs/dbraw/zinc/07/50/57/1079075057.db2.gz RSHGEZDUORKEHR-NHCUHLMSSA-N 2 2 401.551 2.277 20 0 HEADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CCOCC4)C3)CC2=O)cc1 ZINC001168916364 1079075064 /nfs/dbraw/zinc/07/50/64/1079075064.db2.gz RSHGEZDUORKEHR-NHCUHLMSSA-N 2 2 401.551 2.277 20 0 HEADLP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2ccccc12 ZINC001169116633 1079140798 /nfs/dbraw/zinc/14/07/98/1079140798.db2.gz YOHFKMKGKPZEAI-HSZRJFAPSA-N 3 2 403.486 2.398 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129886 1079150757 /nfs/dbraw/zinc/15/07/57/1079150757.db2.gz LHGANGVGFINBLD-VLVHOKLOSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129886 1079150761 /nfs/dbraw/zinc/15/07/61/1079150761.db2.gz LHGANGVGFINBLD-VLVHOKLOSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129886 1079150765 /nfs/dbraw/zinc/15/07/65/1079150765.db2.gz LHGANGVGFINBLD-VLVHOKLOSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169129886 1079150770 /nfs/dbraw/zinc/15/07/70/1079150770.db2.gz LHGANGVGFINBLD-VLVHOKLOSA-N 2 2 411.550 2.276 20 0 HEADLP CCOC(=O)c1cc2c(cc(C)[nH+]c2NC2(C(=O)OCC)CC[NH+](C)CC2)n1C ZINC001169493128 1079313869 /nfs/dbraw/zinc/31/38/69/1079313869.db2.gz UCMDPYTWBNZIRB-UHFFFAOYSA-N 2 2 402.495 2.498 20 0 HEADLP C[NH+]1CCN(c2nccnc2N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC1 ZINC001169516315 1079320785 /nfs/dbraw/zinc/32/07/85/1079320785.db2.gz GIQAXVXYNGNYNW-PMACEKPBSA-N 2 2 424.549 2.100 20 0 HEADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757502 1079487285 /nfs/dbraw/zinc/48/72/85/1079487285.db2.gz UILVWKUQYUEFLH-RTBURBONSA-N 2 2 404.555 2.395 20 0 HEADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757502 1079487293 /nfs/dbraw/zinc/48/72/93/1079487293.db2.gz UILVWKUQYUEFLH-RTBURBONSA-N 2 2 404.555 2.395 20 0 HEADLP C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779532 1079500419 /nfs/dbraw/zinc/50/04/19/1079500419.db2.gz UWAIIFBGHNVEME-FUHWJXTLSA-N 2 2 411.591 2.100 20 0 HEADLP C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779532 1079500430 /nfs/dbraw/zinc/50/04/30/1079500430.db2.gz UWAIIFBGHNVEME-FUHWJXTLSA-N 2 2 411.591 2.100 20 0 HEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000738207782 1075973911 /nfs/dbraw/zinc/97/39/11/1075973911.db2.gz FXTBOOSABCXPOS-HXUWFJFHSA-N 2 2 408.930 2.107 20 0 HEADLP Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000739068448 1076036619 /nfs/dbraw/zinc/03/66/19/1076036619.db2.gz PFBCQAIQNNROPZ-LJQANCHMSA-N 2 2 415.538 2.302 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)CC1 ZINC000740855053 1076268345 /nfs/dbraw/zinc/26/83/45/1076268345.db2.gz NIGOJSNZOIOJDW-QHCPKHFHSA-N 2 2 420.598 2.021 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000741016242 1076336812 /nfs/dbraw/zinc/33/68/12/1076336812.db2.gz HQZFVLBFMZECQR-HSALFYBXSA-N 2 2 401.551 2.444 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000741016242 1076336823 /nfs/dbraw/zinc/33/68/23/1076336823.db2.gz HQZFVLBFMZECQR-HSALFYBXSA-N 2 2 401.551 2.444 20 0 HEADLP Cc1ccc(N2C[C@H](C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CC2=O)cc1 ZINC000742010163 1076706108 /nfs/dbraw/zinc/70/61/08/1076706108.db2.gz CIVOWEUWPAWTGW-HXUWFJFHSA-N 2 2 412.578 2.414 20 0 HEADLP CN(C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000742662308 1076861439 /nfs/dbraw/zinc/86/14/39/1076861439.db2.gz FSGXWBDWBACDBR-OALUTQOASA-N 2 2 408.587 2.403 20 0 HEADLP CN(C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000742662308 1076861440 /nfs/dbraw/zinc/86/14/40/1076861440.db2.gz FSGXWBDWBACDBR-OALUTQOASA-N 2 2 408.587 2.403 20 0 HEADLP COCC[S@](=O)Cc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000743159008 1076979837 /nfs/dbraw/zinc/97/98/37/1076979837.db2.gz TZBPBOTYIPKFMF-LJAQVGFWSA-N 2 2 424.611 2.071 20 0 HEADLP COCC[S@](=O)Cc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000743159008 1076979856 /nfs/dbraw/zinc/97/98/56/1076979856.db2.gz TZBPBOTYIPKFMF-LJAQVGFWSA-N 2 2 424.611 2.071 20 0 HEADLP CN(C(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771761818 1079516059 /nfs/dbraw/zinc/51/60/59/1079516059.db2.gz CZLSDQYZQBVGAK-NRFANRHFSA-N 2 2 413.566 2.123 20 0 HEADLP CN(C(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771761818 1079516075 /nfs/dbraw/zinc/51/60/75/1079516075.db2.gz CZLSDQYZQBVGAK-NRFANRHFSA-N 2 2 413.566 2.123 20 0 HEADLP COc1cc(OC)c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000771769553 1079522510 /nfs/dbraw/zinc/52/25/10/1079522510.db2.gz UASRVMNMAHUJBD-KRWDZBQOSA-N 2 2 420.554 2.022 20 0 HEADLP COc1cc(OC)c(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000771769553 1079522522 /nfs/dbraw/zinc/52/25/22/1079522522.db2.gz UASRVMNMAHUJBD-KRWDZBQOSA-N 2 2 420.554 2.022 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000771842740 1079533809 /nfs/dbraw/zinc/53/38/09/1079533809.db2.gz VSHHKPUJHWIJET-LJQANCHMSA-N 2 2 405.564 2.192 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000771842740 1079533815 /nfs/dbraw/zinc/53/38/15/1079533815.db2.gz VSHHKPUJHWIJET-LJQANCHMSA-N 2 2 405.564 2.192 20 0 HEADLP COc1cccc([C@H]2CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001169977197 1080213064 /nfs/dbraw/zinc/21/30/64/1080213064.db2.gz ZPVWMDVXDSWXFO-RBUKOAKNSA-N 2 2 420.554 2.013 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000768128116 1080363137 /nfs/dbraw/zinc/36/31/37/1080363137.db2.gz GSGGXRIPLOXEFL-UHFFFAOYSA-N 2 2 419.570 2.204 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000768128116 1080363144 /nfs/dbraw/zinc/36/31/44/1080363144.db2.gz GSGGXRIPLOXEFL-UHFFFAOYSA-N 2 2 419.570 2.204 20 0 HEADLP C[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175676 1080479957 /nfs/dbraw/zinc/47/99/57/1080479957.db2.gz UAMWIBLZSOVKBA-APWZRJJASA-N 2 2 408.587 2.307 20 0 HEADLP Cc1ccc(N2CCNC2=O)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000786237501 1080513973 /nfs/dbraw/zinc/51/39/73/1080513973.db2.gz UHLGNLZAEMERLA-UHFFFAOYSA-N 2 2 402.543 2.014 20 0 HEADLP Cc1ccc(N2CCNC2=O)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000786237501 1080513988 /nfs/dbraw/zinc/51/39/88/1080513988.db2.gz UHLGNLZAEMERLA-UHFFFAOYSA-N 2 2 402.543 2.014 20 0 HEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170056318 1080550367 /nfs/dbraw/zinc/55/03/67/1080550367.db2.gz QMNNROVIOABHMD-SJORKVTESA-N 2 2 423.583 2.116 20 0 HEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170056318 1080550376 /nfs/dbraw/zinc/55/03/76/1080550376.db2.gz QMNNROVIOABHMD-SJORKVTESA-N 2 2 423.583 2.116 20 0 HEADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCCCC2)CC[N@@H+]1C ZINC001109307664 1080574717 /nfs/dbraw/zinc/57/47/17/1080574717.db2.gz VYMJOYYYEONZCW-IFLJBQAJSA-N 2 2 404.599 2.135 20 0 HEADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCCCC2)CC[N@H+]1C ZINC001109307664 1080574727 /nfs/dbraw/zinc/57/47/27/1080574727.db2.gz VYMJOYYYEONZCW-IFLJBQAJSA-N 2 2 404.599 2.135 20 0 HEADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCCCC2)CC[NH+]1C ZINC001109307664 1080574743 /nfs/dbraw/zinc/57/47/43/1080574743.db2.gz VYMJOYYYEONZCW-IFLJBQAJSA-N 2 2 404.599 2.135 20 0 HEADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCCCC2)CC[NH+]1C ZINC001109307664 1080574751 /nfs/dbraw/zinc/57/47/51/1080574751.db2.gz VYMJOYYYEONZCW-IFLJBQAJSA-N 2 2 404.599 2.135 20 0 HEADLP CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(OCC[NH+](C)C)CC3)C2=O)cc1 ZINC000768494027 1080605554 /nfs/dbraw/zinc/60/55/54/1080605554.db2.gz MBVZUUCUTZOZAK-HSZRJFAPSA-N 2 2 416.566 2.406 20 0 HEADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786505563 1080663109 /nfs/dbraw/zinc/66/31/09/1080663109.db2.gz NWNXYWBJCGLCGE-UHFFFAOYSA-N 2 2 409.534 2.018 20 0 HEADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786795133 1080825773 /nfs/dbraw/zinc/82/57/73/1080825773.db2.gz YTNAHLSBNSYUMN-SFHVURJKSA-N 2 2 421.545 2.455 20 0 HEADLP CN(C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780666828 1080983319 /nfs/dbraw/zinc/98/33/19/1080983319.db2.gz QLHPSTINUCYLLS-YCRNBWNJSA-N 2 2 420.598 2.260 20 0 HEADLP CN(C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780666828 1080983335 /nfs/dbraw/zinc/98/33/35/1080983335.db2.gz QLHPSTINUCYLLS-YCRNBWNJSA-N 2 2 420.598 2.260 20 0 HEADLP CC[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483132 1081078897 /nfs/dbraw/zinc/07/88/97/1081078897.db2.gz GNHQRRGZVSGSEZ-OALUTQOASA-N 2 2 418.586 2.354 20 0 HEADLP CC[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483132 1081078902 /nfs/dbraw/zinc/07/89/02/1081078902.db2.gz GNHQRRGZVSGSEZ-OALUTQOASA-N 2 2 418.586 2.354 20 0 HEADLP CC[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483134 1081079045 /nfs/dbraw/zinc/07/90/45/1081079045.db2.gz GNHQRRGZVSGSEZ-RBUKOAKNSA-N 2 2 418.586 2.354 20 0 HEADLP CC[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483134 1081079053 /nfs/dbraw/zinc/07/90/53/1081079053.db2.gz GNHQRRGZVSGSEZ-RBUKOAKNSA-N 2 2 418.586 2.354 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1N1CCCC1 ZINC001164817289 720286538 /nfs/dbraw/zinc/28/65/38/720286538.db2.gz CDKNTJHVJDBGIL-VQTJNVASSA-N 2 2 412.582 2.297 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)[nH+]2)CC1 ZINC001164874665 721317760 /nfs/dbraw/zinc/31/77/60/721317760.db2.gz DMIKYWXJBISALA-HXUWFJFHSA-N 2 2 405.546 2.334 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000745878928 1078682828 /nfs/dbraw/zinc/68/28/28/1078682828.db2.gz VDCLYPFGTKILAK-OAQYLSRUSA-N 2 2 424.536 2.422 20 0 HEADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001168859479 1079055691 /nfs/dbraw/zinc/05/56/91/1079055691.db2.gz PGFSJERDFXXIEA-UHFFFAOYSA-N 2 2 419.551 2.018 20 0 HEADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001168859479 1079055698 /nfs/dbraw/zinc/05/56/98/1079055698.db2.gz PGFSJERDFXXIEA-UHFFFAOYSA-N 2 2 419.551 2.018 20 0 HEADLP CCOC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1-c1ccc(F)cc1F ZINC001169072830 1079124970 /nfs/dbraw/zinc/12/49/70/1079124970.db2.gz ZXIRIPWLWOQCDH-CYBMUJFWSA-N 2 2 402.401 2.251 20 0 HEADLP NC(=O)C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC001169125670 1079145674 /nfs/dbraw/zinc/14/56/74/1079145674.db2.gz SYAFAAAMHQJMGX-HXUWFJFHSA-N 2 2 408.974 2.112 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129881 1079150269 /nfs/dbraw/zinc/15/02/69/1079150269.db2.gz LHGANGVGFINBLD-QTDGGUCWSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129881 1079150273 /nfs/dbraw/zinc/15/02/73/1079150273.db2.gz LHGANGVGFINBLD-QTDGGUCWSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129881 1079150278 /nfs/dbraw/zinc/15/02/78/1079150278.db2.gz LHGANGVGFINBLD-QTDGGUCWSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169129881 1079150282 /nfs/dbraw/zinc/15/02/82/1079150282.db2.gz LHGANGVGFINBLD-QTDGGUCWSA-N 2 2 411.550 2.276 20 0 HEADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392774 1079263418 /nfs/dbraw/zinc/26/34/18/1079263418.db2.gz QRUGOUYMEIXNDV-GSEOLPGOSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392774 1079263424 /nfs/dbraw/zinc/26/34/24/1079263424.db2.gz QRUGOUYMEIXNDV-GSEOLPGOSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392774 1079263431 /nfs/dbraw/zinc/26/34/31/1079263431.db2.gz QRUGOUYMEIXNDV-GSEOLPGOSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392774 1079263436 /nfs/dbraw/zinc/26/34/36/1079263436.db2.gz QRUGOUYMEIXNDV-GSEOLPGOSA-N 2 2 423.579 2.085 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC001687511281 1079270786 /nfs/dbraw/zinc/27/07/86/1079270786.db2.gz REEWSPHJUZQRQZ-OAQYLSRUSA-N 2 2 411.550 2.234 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC001687511281 1079270794 /nfs/dbraw/zinc/27/07/94/1079270794.db2.gz REEWSPHJUZQRQZ-OAQYLSRUSA-N 2 2 411.550 2.234 20 0 HEADLP C[NH+]1CCN(c2ncc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cn2)CC1 ZINC001169517548 1079328358 /nfs/dbraw/zinc/32/83/58/1079328358.db2.gz GNNZLSGGJSWKAN-TZIWHRDSSA-N 2 2 424.549 2.100 20 0 HEADLP CN(C(=O)NC1CCC(O)(c2cccnc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779491 1079499928 /nfs/dbraw/zinc/49/99/28/1079499928.db2.gz LJNBODIMTGXEMQ-YUVVGHDESA-N 2 2 415.582 2.022 20 0 HEADLP CN(C(=O)NC1CCC(O)(c2cccnc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779491 1079499939 /nfs/dbraw/zinc/49/99/39/1079499939.db2.gz LJNBODIMTGXEMQ-YUVVGHDESA-N 2 2 415.582 2.022 20 0 HEADLP CC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110865 1075965213 /nfs/dbraw/zinc/96/52/13/1075965213.db2.gz JXJGRZRYPRPWJT-QHCPKHFHSA-N 2 2 414.550 2.236 20 0 HEADLP CC1CCC2(CC1)OC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779742 1079502632 /nfs/dbraw/zinc/50/26/32/1079502632.db2.gz XAFROYJEIRMOTJ-YMZLFWGNSA-N 2 2 408.587 2.118 20 0 HEADLP CC1CCC2(CC1)OC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779742 1079502638 /nfs/dbraw/zinc/50/26/38/1079502638.db2.gz XAFROYJEIRMOTJ-YMZLFWGNSA-N 2 2 408.587 2.118 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)CC2)c(F)c1 ZINC000739926573 1076093781 /nfs/dbraw/zinc/09/37/81/1076093781.db2.gz HQMXECVLWADLBX-LJQANCHMSA-N 2 2 416.541 2.095 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)CC2)c(F)c1 ZINC000739926573 1076093788 /nfs/dbraw/zinc/09/37/88/1076093788.db2.gz HQMXECVLWADLBX-LJQANCHMSA-N 2 2 416.541 2.095 20 0 HEADLP O=C1CCCCN1[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1 ZINC000740877173 1076278292 /nfs/dbraw/zinc/27/82/92/1076278292.db2.gz DZWLYYIEFRUXKD-NHCUHLMSSA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCCN1[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1 ZINC000740877173 1076278304 /nfs/dbraw/zinc/27/83/04/1076278304.db2.gz DZWLYYIEFRUXKD-NHCUHLMSSA-N 2 2 404.599 2.330 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740916885 1076304758 /nfs/dbraw/zinc/30/47/58/1076304758.db2.gz DRFCNMLKHDRIPY-ZIFCJYIRSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740916885 1076304760 /nfs/dbraw/zinc/30/47/60/1076304760.db2.gz DRFCNMLKHDRIPY-ZIFCJYIRSA-N 2 2 423.602 2.100 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)c3c(F)cccc3Cl)CC2)CC1 ZINC000741276105 1076440960 /nfs/dbraw/zinc/44/09/60/1076440960.db2.gz PYIUTIOEGMGLPR-SFHVURJKSA-N 2 2 412.937 2.370 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(N4CCOC4=O)ccc3F)CC2)CC1 ZINC000741681871 1076584526 /nfs/dbraw/zinc/58/45/26/1076584526.db2.gz HWUKUKKAYOZSCE-UHFFFAOYSA-N 2 2 404.486 2.071 20 0 HEADLP CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742012446 1076707108 /nfs/dbraw/zinc/70/71/08/1076707108.db2.gz VDZFRDADHOKATH-JSAJWXMXSA-N 2 2 422.639 2.311 20 0 HEADLP C[NH+]1CCC(CNC(=O)c2cccc(N3CCOC3=O)c2)([NH+]2CCCCC2)CC1 ZINC000742012641 1076707143 /nfs/dbraw/zinc/70/71/43/1076707143.db2.gz ZLARHVAAOBTJIQ-UHFFFAOYSA-N 2 2 400.523 2.323 20 0 HEADLP CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000742671049 1076863231 /nfs/dbraw/zinc/86/32/31/1076863231.db2.gz QZSWZYDIMTURAB-UHFFFAOYSA-N 2 2 400.567 2.367 20 0 HEADLP CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000742671049 1076863232 /nfs/dbraw/zinc/86/32/32/1076863232.db2.gz QZSWZYDIMTURAB-UHFFFAOYSA-N 2 2 400.567 2.367 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)[C@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000743364776 1077033480 /nfs/dbraw/zinc/03/34/80/1077033480.db2.gz PGXWWTATFXEAFR-XXBNENTESA-N 2 2 412.578 2.430 20 0 HEADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000743400044 1077042974 /nfs/dbraw/zinc/04/29/74/1077042974.db2.gz IMKPGJYEJSYOBS-NRFANRHFSA-N 2 2 402.564 2.460 20 0 HEADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000743400044 1077042979 /nfs/dbraw/zinc/04/29/79/1077042979.db2.gz IMKPGJYEJSYOBS-NRFANRHFSA-N 2 2 402.564 2.460 20 0 HEADLP CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771773120 1079526335 /nfs/dbraw/zinc/52/63/35/1079526335.db2.gz XAHSXPPMKABXNF-MOPGFXCFSA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771773120 1079526344 /nfs/dbraw/zinc/52/63/44/1079526344.db2.gz XAHSXPPMKABXNF-MOPGFXCFSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376172 1079852839 /nfs/dbraw/zinc/85/28/39/1079852839.db2.gz HGTFRNMKXFMQGL-KURKYZTESA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376172 1079852844 /nfs/dbraw/zinc/85/28/44/1079852844.db2.gz HGTFRNMKXFMQGL-KURKYZTESA-N 2 2 423.602 2.242 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@@H](CC(C)(C)C)OC3=O)CC2)CC1 ZINC000785500046 1080021911 /nfs/dbraw/zinc/02/19/11/1080021911.db2.gz CHFDFPADONEPLA-LJQANCHMSA-N 2 2 408.587 2.467 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)CC1 ZINC000768408415 1080529375 /nfs/dbraw/zinc/52/93/75/1080529375.db2.gz YTJQLLCCJMCMCP-GOSISDBHSA-N 2 2 404.518 2.319 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)CC1 ZINC000768408415 1080529385 /nfs/dbraw/zinc/52/93/85/1080529385.db2.gz YTJQLLCCJMCMCP-GOSISDBHSA-N 2 2 404.518 2.319 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC001109304252 1080587923 /nfs/dbraw/zinc/58/79/23/1080587923.db2.gz QYNOLDLAEWRPAO-JFHUYLGKSA-N 2 2 402.583 2.055 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCCC2=CCCCC2)CC[N@H+]1C ZINC001109304252 1080587930 /nfs/dbraw/zinc/58/79/30/1080587930.db2.gz QYNOLDLAEWRPAO-JFHUYLGKSA-N 2 2 402.583 2.055 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC001109304252 1080587941 /nfs/dbraw/zinc/58/79/41/1080587941.db2.gz QYNOLDLAEWRPAO-JFHUYLGKSA-N 2 2 402.583 2.055 20 0 HEADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC001109304252 1080587952 /nfs/dbraw/zinc/58/79/52/1080587952.db2.gz QYNOLDLAEWRPAO-JFHUYLGKSA-N 2 2 402.583 2.055 20 0 HEADLP O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786877589 1080865764 /nfs/dbraw/zinc/86/57/64/1080865764.db2.gz GQFBXXSMDFXHGB-NRFANRHFSA-N 2 2 415.534 2.408 20 0 HEADLP O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786877589 1080865768 /nfs/dbraw/zinc/86/57/68/1080865768.db2.gz GQFBXXSMDFXHGB-NRFANRHFSA-N 2 2 415.534 2.408 20 0 HEADLP C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000768953829 1080881857 /nfs/dbraw/zinc/88/18/57/1080881857.db2.gz AWVHTZOWVMZJJV-QGZVFWFLSA-N 2 2 411.591 2.149 20 0 HEADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000769384552 1081059674 /nfs/dbraw/zinc/05/96/74/1081059674.db2.gz LWIQOEYBQMNIFX-IBGZPJMESA-N 2 2 405.539 2.497 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000787292621 1081095539 /nfs/dbraw/zinc/09/55/39/1081095539.db2.gz UEEGZSKQRCOKNJ-UHFFFAOYSA-N 2 2 410.518 2.235 20 0 HEADLP COc1c[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821210 720284485 /nfs/dbraw/zinc/28/44/85/720284485.db2.gz ZDAUGJYQINULID-ZWKOTPCHSA-N 2 2 416.570 2.217 20 0 HEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(N)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164819967 720378316 /nfs/dbraw/zinc/37/83/16/720378316.db2.gz JYSQJFIEPHBXGD-UHFFFAOYSA-N 2 2 400.552 2.050 20 0 HEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(N)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164819967 720378322 /nfs/dbraw/zinc/37/83/22/720378322.db2.gz JYSQJFIEPHBXGD-UHFFFAOYSA-N 2 2 400.552 2.050 20 0 HEADLP c1ncn(C[C@H]2C[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747869 720837669 /nfs/dbraw/zinc/83/76/69/720837669.db2.gz RXGBJPFKVGVQNG-PWRODBHTSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@H]2C[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747869 720837671 /nfs/dbraw/zinc/83/76/71/720837671.db2.gz RXGBJPFKVGVQNG-PWRODBHTSA-N 2 2 422.581 2.438 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879550 721178097 /nfs/dbraw/zinc/17/80/97/721178097.db2.gz TYXWDZQTWBKKRV-OFNKIYASSA-N 3 2 423.561 2.429 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879550 721178115 /nfs/dbraw/zinc/17/81/15/721178115.db2.gz TYXWDZQTWBKKRV-OFNKIYASSA-N 3 2 423.561 2.429 20 0 HEADLP C[NH+]1CCN(c2cccc(N3Cc4cncn4C[C@@H](COc4cccnc4)C3)[nH+]2)CC1 ZINC001164768986 721274166 /nfs/dbraw/zinc/27/41/66/721274166.db2.gz MUDFMGHHWYBJIY-IBGZPJMESA-N 2 2 419.533 2.140 20 0 HEADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890328 721450127 /nfs/dbraw/zinc/45/01/27/721450127.db2.gz QWJZDPOKSGLASP-LADGPHEKSA-N 2 2 413.610 2.443 20 0 HEADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890327 721450608 /nfs/dbraw/zinc/45/06/08/721450608.db2.gz QWJZDPOKSGLASP-ISKFKSNPSA-N 2 2 413.610 2.443 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164808865 721565490 /nfs/dbraw/zinc/56/54/90/721565490.db2.gz WBINLRIYAUZEGI-DPLHUUCSSA-N 2 2 422.577 2.097 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164808865 721565494 /nfs/dbraw/zinc/56/54/94/721565494.db2.gz WBINLRIYAUZEGI-DPLHUUCSSA-N 2 2 422.577 2.097 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165026014 721828773 /nfs/dbraw/zinc/82/87/73/721828773.db2.gz OBPZSVLDRHAVFB-SXLOBPIMSA-N 2 2 404.522 2.498 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165026014 721828775 /nfs/dbraw/zinc/82/87/75/721828775.db2.gz OBPZSVLDRHAVFB-SXLOBPIMSA-N 2 2 404.522 2.498 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)Cc3ccccc3CNC4=O)[nH+]2)CC1 ZINC001164967391 722078407 /nfs/dbraw/zinc/07/84/07/722078407.db2.gz DCPKEBXJSQKCJU-UHFFFAOYSA-N 2 2 405.546 2.293 20 0 HEADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624881 1078478827 /nfs/dbraw/zinc/47/88/27/1078478827.db2.gz LPUXBOCGURWHHS-IHPCNDPISA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624881 1078478831 /nfs/dbraw/zinc/47/88/31/1078478831.db2.gz LPUXBOCGURWHHS-IHPCNDPISA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624881 1078478834 /nfs/dbraw/zinc/47/88/34/1078478834.db2.gz LPUXBOCGURWHHS-IHPCNDPISA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624881 1078478842 /nfs/dbraw/zinc/47/88/42/1078478842.db2.gz LPUXBOCGURWHHS-IHPCNDPISA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383749 1078834904 /nfs/dbraw/zinc/83/49/04/1078834904.db2.gz WPZWJHSQQQRSEU-AEFFLSMTSA-N 2 2 404.559 2.106 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383749 1078834905 /nfs/dbraw/zinc/83/49/05/1078834905.db2.gz WPZWJHSQQQRSEU-AEFFLSMTSA-N 2 2 404.559 2.106 20 0 HEADLP CCOC(=O)N1CCC(NC(=O)CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000766515603 1079057705 /nfs/dbraw/zinc/05/77/05/1079057705.db2.gz RVAGPIRYBUSHJK-UHFFFAOYSA-N 2 2 417.554 2.157 20 0 HEADLP COc1ccc(CN2CC[C@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)cc1 ZINC001168943906 1079082204 /nfs/dbraw/zinc/08/22/04/1079082204.db2.gz FLYGBVKYIKOHSK-NRFANRHFSA-N 3 2 404.599 2.392 20 0 HEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563487 1079100321 /nfs/dbraw/zinc/10/03/21/1079100321.db2.gz OOSAWCUDVOTUCH-YOEHRIQHSA-N 2 2 420.501 2.196 20 0 HEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563487 1079100326 /nfs/dbraw/zinc/10/03/26/1079100326.db2.gz OOSAWCUDVOTUCH-YOEHRIQHSA-N 2 2 420.501 2.196 20 0 HEADLP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc(N3CC[NH+](C)CC3)cn2)c2ccccc12 ZINC001169112853 1079160463 /nfs/dbraw/zinc/16/04/63/1079160463.db2.gz MXOUKLNPUSCZQC-HSZRJFAPSA-N 2 2 407.518 2.210 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160518 1079169936 /nfs/dbraw/zinc/16/99/36/1079169936.db2.gz HHNMIAPJOHXOCT-HUTLHSBBSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160518 1079169944 /nfs/dbraw/zinc/16/99/44/1079169944.db2.gz HHNMIAPJOHXOCT-HUTLHSBBSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160518 1079169955 /nfs/dbraw/zinc/16/99/55/1079169955.db2.gz HHNMIAPJOHXOCT-HUTLHSBBSA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169160518 1079169965 /nfs/dbraw/zinc/16/99/65/1079169965.db2.gz HHNMIAPJOHXOCT-HUTLHSBBSA-N 2 2 407.555 2.486 20 0 HEADLP CC[NH+]1CCC([NH2+][C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169244894 1079210256 /nfs/dbraw/zinc/21/02/56/1079210256.db2.gz YDFOKFXPKAGLLS-IBGZPJMESA-N 3 2 400.523 2.221 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000738474184 1076004080 /nfs/dbraw/zinc/00/40/80/1076004080.db2.gz AJBRCAJOOKUAHO-UHFFFAOYSA-N 2 2 417.554 2.265 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709569 1076074595 /nfs/dbraw/zinc/07/45/95/1076074595.db2.gz WECQUAIEHUPDDV-RBUKOAKNSA-N 2 2 408.587 2.355 20 0 HEADLP C[C@@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741020177 1076339037 /nfs/dbraw/zinc/33/90/37/1076339037.db2.gz YDFBWXWPZVRBSS-KURKYZTESA-N 2 2 403.523 2.262 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000741024675 1076340628 /nfs/dbraw/zinc/34/06/28/1076340628.db2.gz YKPYEFZUDXAGSS-UFYCRDLUSA-N 2 2 401.551 2.444 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000741277081 1076441536 /nfs/dbraw/zinc/44/15/36/1076441536.db2.gz SCFAKVIGWUUBLC-LJQANCHMSA-N 2 2 423.602 2.148 20 0 HEADLP CN(C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000742662312 1076861593 /nfs/dbraw/zinc/86/15/93/1076861593.db2.gz FSGXWBDWBACDBR-RTBURBONSA-N 2 2 408.587 2.403 20 0 HEADLP CN(C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000742662312 1076861595 /nfs/dbraw/zinc/86/15/95/1076861595.db2.gz FSGXWBDWBACDBR-RTBURBONSA-N 2 2 408.587 2.403 20 0 HEADLP CN(C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000742662310 1076861642 /nfs/dbraw/zinc/86/16/42/1076861642.db2.gz FSGXWBDWBACDBR-RBUKOAKNSA-N 2 2 408.587 2.403 20 0 HEADLP CN(C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000742662310 1076861644 /nfs/dbraw/zinc/86/16/44/1076861644.db2.gz FSGXWBDWBACDBR-RBUKOAKNSA-N 2 2 408.587 2.403 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000743594014 1077077489 /nfs/dbraw/zinc/07/74/89/1077077489.db2.gz LFSGBEINTIDSNL-UXHICEINSA-N 2 2 401.555 2.193 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000743594014 1077077496 /nfs/dbraw/zinc/07/74/96/1077077496.db2.gz LFSGBEINTIDSNL-UXHICEINSA-N 2 2 401.555 2.193 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000743972328 1077275887 /nfs/dbraw/zinc/27/58/87/1077275887.db2.gz MPMCFQNGUSEFNI-FQEVSTJZSA-N 2 2 418.501 2.247 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000743972328 1077275891 /nfs/dbraw/zinc/27/58/91/1077275891.db2.gz MPMCFQNGUSEFNI-FQEVSTJZSA-N 2 2 418.501 2.247 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427135 1077389265 /nfs/dbraw/zinc/38/92/65/1077389265.db2.gz ZNDKIVMPHRWJJC-CTNGQTDRSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427135 1077389272 /nfs/dbraw/zinc/38/92/72/1077389272.db2.gz ZNDKIVMPHRWJJC-CTNGQTDRSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000744427135 1077389277 /nfs/dbraw/zinc/38/92/77/1077389277.db2.gz ZNDKIVMPHRWJJC-CTNGQTDRSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000744427135 1077389284 /nfs/dbraw/zinc/38/92/84/1077389284.db2.gz ZNDKIVMPHRWJJC-CTNGQTDRSA-N 2 2 416.566 2.130 20 0 HEADLP C[C@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440861 1077395483 /nfs/dbraw/zinc/39/54/83/1077395483.db2.gz IGAKZFQTCITUAG-JOCHJYFZSA-N 2 2 418.513 2.127 20 0 HEADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000745087276 1077724888 /nfs/dbraw/zinc/72/48/88/1077724888.db2.gz QIYYANQXRQRJQB-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000745087276 1077724892 /nfs/dbraw/zinc/72/48/92/1077724892.db2.gz QIYYANQXRQRJQB-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000745087276 1077724897 /nfs/dbraw/zinc/72/48/97/1077724897.db2.gz QIYYANQXRQRJQB-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000745087276 1077724903 /nfs/dbraw/zinc/72/49/03/1077724903.db2.gz QIYYANQXRQRJQB-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP COc1ccc([C@H](CNC(=O)COC(=O)[C@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078819 1077733795 /nfs/dbraw/zinc/73/37/95/1077733795.db2.gz ICWHZAMQBCXEEV-RTWAWAEBSA-N 2 2 417.550 2.366 20 0 HEADLP COc1ccc([C@H](CNC(=O)COC(=O)[C@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078819 1077733802 /nfs/dbraw/zinc/73/38/02/1077733802.db2.gz ICWHZAMQBCXEEV-RTWAWAEBSA-N 2 2 417.550 2.366 20 0 HEADLP COc1cc(OC)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000771769555 1079522251 /nfs/dbraw/zinc/52/22/51/1079522251.db2.gz UASRVMNMAHUJBD-QGZVFWFLSA-N 2 2 420.554 2.022 20 0 HEADLP COc1cc(OC)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000771769555 1079522260 /nfs/dbraw/zinc/52/22/60/1079522260.db2.gz UASRVMNMAHUJBD-QGZVFWFLSA-N 2 2 420.554 2.022 20 0 HEADLP Cc1cc(N2CCN(C(=O)C[NH2+]C(C)(C)C3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000786169197 1080477438 /nfs/dbraw/zinc/47/74/38/1080477438.db2.gz JDGJKFQIXUSLHH-UHFFFAOYSA-N 2 2 403.571 2.352 20 0 HEADLP Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000786297349 1080542017 /nfs/dbraw/zinc/54/20/17/1080542017.db2.gz RNQBRFKZENPEOX-UHFFFAOYSA-N 2 2 414.554 2.205 20 0 HEADLP Cc1[nH+]ccn1CCCN(C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957209 /nfs/dbraw/zinc/95/72/09/1080957209.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 2 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCCN(C)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957220 /nfs/dbraw/zinc/95/72/20/1080957220.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 2 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957228 /nfs/dbraw/zinc/95/72/28/1080957228.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957233 /nfs/dbraw/zinc/95/72/33/1080957233.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[NH+](C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957241 /nfs/dbraw/zinc/95/72/41/1080957241.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[NH+](C)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746627983 1080957246 /nfs/dbraw/zinc/95/72/46/1080957246.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 3 2 424.549 2.058 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)CC2)CC1 ZINC000787127466 1081035263 /nfs/dbraw/zinc/03/52/63/1081035263.db2.gz CZLIPRWXUZXEDT-IBGZPJMESA-N 2 2 412.937 2.370 20 0 HEADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000787159839 1081037104 /nfs/dbraw/zinc/03/71/04/1081037104.db2.gz MOQSJWVPEVLIJW-HXUWFJFHSA-N 2 2 411.550 2.283 20 0 HEADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000787159839 1081037114 /nfs/dbraw/zinc/03/71/14/1081037114.db2.gz MOQSJWVPEVLIJW-HXUWFJFHSA-N 2 2 411.550 2.283 20 0 HEADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000787291381 1081095312 /nfs/dbraw/zinc/09/53/12/1081095312.db2.gz OXPONLYRVSQIFJ-UHFFFAOYSA-N 2 2 417.513 2.401 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)[nH+]2)CC1 ZINC001164646622 719294183 /nfs/dbraw/zinc/29/41/83/719294183.db2.gz PBXSBFOJNKTHEX-MZKRTTBSSA-N 2 2 409.534 2.181 20 0 HEADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895455 721429786 /nfs/dbraw/zinc/42/97/86/721429786.db2.gz PEBMHEQTPDWKTI-VGSWGCGISA-N 2 2 420.001 2.146 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164808863 721565023 /nfs/dbraw/zinc/56/50/23/721565023.db2.gz WBINLRIYAUZEGI-AWRGLXIESA-N 2 2 422.577 2.097 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164808863 721565028 /nfs/dbraw/zinc/56/50/28/721565028.db2.gz WBINLRIYAUZEGI-AWRGLXIESA-N 2 2 422.577 2.097 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCN(c4nnc(C(F)(F)F)s4)CC3)[nH+]2)CC1 ZINC001165050851 721999538 /nfs/dbraw/zinc/99/95/38/721999538.db2.gz AHHFDHOBUMKIIU-UHFFFAOYSA-N 2 2 413.473 2.030 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)[nH+]2)CC1 ZINC001164959330 722029131 /nfs/dbraw/zinc/02/91/31/722029131.db2.gz QYYSNPFUWXZBFL-WFXMLNOXSA-N 2 2 413.497 2.183 20 0 HEADLP Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000745828267 1078665939 /nfs/dbraw/zinc/66/59/39/1078665939.db2.gz CDHJRBNQHQJSHU-HXUWFJFHSA-N 2 2 400.571 2.412 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000745878927 1078682768 /nfs/dbraw/zinc/68/27/68/1078682768.db2.gz VDCLYPFGTKILAK-NRFANRHFSA-N 2 2 424.536 2.422 20 0 HEADLP Cc1cccc(C[NH+]2CCN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000105234551 1078897031 /nfs/dbraw/zinc/89/70/31/1078897031.db2.gz AZHDTMXKVRRBBH-UHFFFAOYSA-N 2 2 406.574 2.457 20 0 HEADLP COc1ccc(CN2CC[C@@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)cc1 ZINC001168943907 1079082344 /nfs/dbraw/zinc/08/23/44/1079082344.db2.gz FLYGBVKYIKOHSK-OAQYLSRUSA-N 3 2 404.599 2.392 20 0 HEADLP CCN1[C@H]2CC[N@@H+](C3CC[NH+](CC)CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169253778 1079213073 /nfs/dbraw/zinc/21/30/73/1079213073.db2.gz IJDOWXJPSGYDJV-OALUTQOASA-N 2 2 407.580 2.407 20 0 HEADLP CCN1[C@H]2CC[N@H+](C3CC[NH+](CC)CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169253778 1079213077 /nfs/dbraw/zinc/21/30/77/1079213077.db2.gz IJDOWXJPSGYDJV-OALUTQOASA-N 2 2 407.580 2.407 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394650 1079320306 /nfs/dbraw/zinc/32/03/06/1079320306.db2.gz YRUROTZVPBNREJ-SXLOBPIMSA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394650 1079320315 /nfs/dbraw/zinc/32/03/15/1079320315.db2.gz YRUROTZVPBNREJ-SXLOBPIMSA-N 2 2 423.602 2.196 20 0 HEADLP CC(=O)N1CC[C@@H]([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001169565029 1079332906 /nfs/dbraw/zinc/33/29/06/1079332906.db2.gz LIZMTOSJMKDXCD-HXUWFJFHSA-N 2 2 408.587 2.403 20 0 HEADLP CC(=O)N1CC[C@@H]([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001169565029 1079332908 /nfs/dbraw/zinc/33/29/08/1079332908.db2.gz LIZMTOSJMKDXCD-HXUWFJFHSA-N 2 2 408.587 2.403 20 0 HEADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741410617 1076513528 /nfs/dbraw/zinc/51/35/28/1076513528.db2.gz KQPKEIXCTBEBPG-QHCPKHFHSA-N 2 2 405.502 2.309 20 0 HEADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741410617 1076513536 /nfs/dbraw/zinc/51/35/36/1076513536.db2.gz KQPKEIXCTBEBPG-QHCPKHFHSA-N 2 2 405.502 2.309 20 0 HEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742379927 1076835018 /nfs/dbraw/zinc/83/50/18/1076835018.db2.gz CWGVSUNJUINXSF-WTXIUTQJSA-N 2 2 400.976 2.309 20 0 HEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000742379927 1076835020 /nfs/dbraw/zinc/83/50/20/1076835020.db2.gz CWGVSUNJUINXSF-WTXIUTQJSA-N 2 2 400.976 2.309 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742598374 1076854692 /nfs/dbraw/zinc/85/46/92/1076854692.db2.gz ANAYQNZAQLBQDR-IBGZPJMESA-N 2 2 408.587 2.451 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C2)CC1 ZINC000742667515 1076862424 /nfs/dbraw/zinc/86/24/24/1076862424.db2.gz VRXGTLQZVJWNGC-OAHLLOKOSA-N 2 2 406.527 2.203 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C2)CC1 ZINC000742667515 1076862428 /nfs/dbraw/zinc/86/24/28/1076862428.db2.gz VRXGTLQZVJWNGC-OAHLLOKOSA-N 2 2 406.527 2.203 20 0 HEADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000745089225 1077726186 /nfs/dbraw/zinc/72/61/86/1077726186.db2.gz PYWWLBYEOLTAHK-OAQYLSRUSA-N 2 2 417.550 2.147 20 0 HEADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000745089225 1077726207 /nfs/dbraw/zinc/72/62/07/1077726207.db2.gz PYWWLBYEOLTAHK-OAQYLSRUSA-N 2 2 417.550 2.147 20 0 HEADLP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000745089225 1077726218 /nfs/dbraw/zinc/72/62/18/1077726218.db2.gz PYWWLBYEOLTAHK-OAQYLSRUSA-N 2 2 417.550 2.147 20 0 HEADLP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000745089225 1077726232 /nfs/dbraw/zinc/72/62/32/1077726232.db2.gz PYWWLBYEOLTAHK-OAQYLSRUSA-N 2 2 417.550 2.147 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@H]2COc3ccccc3C2)([NH+]2CCCCC2)CC1 ZINC000745348546 1077811361 /nfs/dbraw/zinc/81/13/61/1077811361.db2.gz LKHWPOUXOBWROO-IBGZPJMESA-N 2 2 400.567 2.487 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2COc3ccccc3C2)([NH+]2CCCCC2)CC1 ZINC000745348547 1077811391 /nfs/dbraw/zinc/81/13/91/1077811391.db2.gz LKHWPOUXOBWROO-LJQANCHMSA-N 2 2 400.567 2.487 20 0 HEADLP CN(C(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771761822 1079516220 /nfs/dbraw/zinc/51/62/20/1079516220.db2.gz CZLSDQYZQBVGAK-OAQYLSRUSA-N 2 2 413.566 2.123 20 0 HEADLP CN(C(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771761822 1079516226 /nfs/dbraw/zinc/51/62/26/1079516226.db2.gz CZLSDQYZQBVGAK-OAQYLSRUSA-N 2 2 413.566 2.123 20 0 HEADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181970 1080483133 /nfs/dbraw/zinc/48/31/33/1080483133.db2.gz IPICLBUSRGDJBK-NZSAHSFTSA-N 2 2 408.587 2.259 20 0 HEADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181970 1080483144 /nfs/dbraw/zinc/48/31/44/1080483144.db2.gz IPICLBUSRGDJBK-NZSAHSFTSA-N 2 2 408.587 2.259 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542837 1080619296 /nfs/dbraw/zinc/61/92/96/1080619296.db2.gz HVWYYLAALNUXON-HKUYNNGSSA-N 2 2 418.586 2.496 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542837 1080619304 /nfs/dbraw/zinc/61/93/04/1080619304.db2.gz HVWYYLAALNUXON-HKUYNNGSSA-N 2 2 418.586 2.496 20 0 HEADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCCCCC1 ZINC000786626909 1080720851 /nfs/dbraw/zinc/72/08/51/1080720851.db2.gz KLXMJCQWGFQKTL-MOPGFXCFSA-N 2 2 403.571 2.143 20 0 HEADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501572 1081098925 /nfs/dbraw/zinc/09/89/25/1081098925.db2.gz BPXAQCFYNWQZIJ-YOEHRIQHSA-N 2 2 402.461 2.328 20 0 HEADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501572 1081098931 /nfs/dbraw/zinc/09/89/31/1081098931.db2.gz BPXAQCFYNWQZIJ-YOEHRIQHSA-N 2 2 402.461 2.328 20 0 HEADLP CN(C[C@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000769548040 1081121265 /nfs/dbraw/zinc/12/12/65/1081121265.db2.gz JCMLUKLQCSPILD-GOSISDBHSA-N 2 2 404.559 2.060 20 0 HEADLP CN(C[C@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000769548040 1081121278 /nfs/dbraw/zinc/12/12/78/1081121278.db2.gz JCMLUKLQCSPILD-GOSISDBHSA-N 2 2 404.559 2.060 20 0 HEADLP Cn1ncc2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C[C@H]2COc1cccnc1 ZINC001164682423 719597523 /nfs/dbraw/zinc/59/75/23/719597523.db2.gz BTUOOVMJQQCFGV-SFHVURJKSA-N 2 2 419.533 2.145 20 0 HEADLP c1csc(C[N@@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)C2)c1 ZINC001164696180 719895555 /nfs/dbraw/zinc/89/55/55/719895555.db2.gz ARDLSFAINMQIJD-UHFFFAOYSA-N 2 2 415.563 2.246 20 0 HEADLP c1csc(C[N@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)C2)c1 ZINC001164696180 719895558 /nfs/dbraw/zinc/89/55/58/719895558.db2.gz ARDLSFAINMQIJD-UHFFFAOYSA-N 2 2 415.563 2.246 20 0 HEADLP Cc1cccc2cc[nH+]c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164708328 719931660 /nfs/dbraw/zinc/93/16/60/719931660.db2.gz JLUUEEIZBWDVLK-UHFFFAOYSA-N 2 2 404.518 2.227 20 0 HEADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001164732248 720508105 /nfs/dbraw/zinc/50/81/05/720508105.db2.gz UCTTXEUWFINYCO-HXUWFJFHSA-N 2 2 417.561 2.429 20 0 HEADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001164732248 720508106 /nfs/dbraw/zinc/50/81/06/720508106.db2.gz UCTTXEUWFINYCO-HXUWFJFHSA-N 2 2 417.561 2.429 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741185 720839212 /nfs/dbraw/zinc/83/92/12/720839212.db2.gz DSAXBLCAVCMTOY-XUVXKRRUSA-N 2 2 410.570 2.294 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741185 720839215 /nfs/dbraw/zinc/83/92/15/720839215.db2.gz DSAXBLCAVCMTOY-XUVXKRRUSA-N 2 2 410.570 2.294 20 0 HEADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(C(C)(C)C)[nH+]1 ZINC001164877534 721287540 /nfs/dbraw/zinc/28/75/40/721287540.db2.gz NNTKFEZBQYCEHY-UHFFFAOYSA-N 2 2 403.571 2.090 20 0 HEADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C(C)(C)C)[nH+]1 ZINC001164877534 721287542 /nfs/dbraw/zinc/28/75/42/721287542.db2.gz NNTKFEZBQYCEHY-UHFFFAOYSA-N 2 2 403.571 2.090 20 0 HEADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164923396 721860391 /nfs/dbraw/zinc/86/03/91/721860391.db2.gz AGTPSQOZZCOLHT-XZOQPEGZSA-N 2 2 406.578 2.250 20 0 HEADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164923396 721860393 /nfs/dbraw/zinc/86/03/93/721860393.db2.gz AGTPSQOZZCOLHT-XZOQPEGZSA-N 2 2 406.578 2.250 20 0 HEADLP COc1ccc2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1 ZINC001164996830 722236133 /nfs/dbraw/zinc/23/61/33/722236133.db2.gz KFLFSOASAVGFSK-UHFFFAOYSA-N 2 2 404.518 2.390 20 0 HEADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000769692308 1078521688 /nfs/dbraw/zinc/52/16/88/1078521688.db2.gz IAFZNJXTNDKTKY-MSOLQXFVSA-N 2 2 419.570 2.402 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@@]2(O)CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000745878919 1078682929 /nfs/dbraw/zinc/68/29/29/1078682929.db2.gz UWEJYXZDOVXUJJ-DEOSSOPVSA-N 2 2 414.594 2.460 20 0 HEADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943272 1078707955 /nfs/dbraw/zinc/70/79/55/1078707955.db2.gz AEFSQEGZJBZXBD-GOSISDBHSA-N 2 2 417.554 2.062 20 0 HEADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943272 1078707959 /nfs/dbraw/zinc/70/79/59/1078707959.db2.gz AEFSQEGZJBZXBD-GOSISDBHSA-N 2 2 417.554 2.062 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770684579 1078934442 /nfs/dbraw/zinc/93/44/42/1078934442.db2.gz WJHCHORVFFEZHN-HXUWFJFHSA-N 2 2 416.566 2.130 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770684579 1078934449 /nfs/dbraw/zinc/93/44/49/1078934449.db2.gz WJHCHORVFFEZHN-HXUWFJFHSA-N 2 2 416.566 2.130 20 0 HEADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472459 1079027604 /nfs/dbraw/zinc/02/76/04/1079027604.db2.gz PZVMHAGNLSCJNA-DYESRHJHSA-N 2 2 418.557 2.339 20 0 HEADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472459 1079027610 /nfs/dbraw/zinc/02/76/10/1079027610.db2.gz PZVMHAGNLSCJNA-DYESRHJHSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472459 1079027614 /nfs/dbraw/zinc/02/76/14/1079027614.db2.gz PZVMHAGNLSCJNA-DYESRHJHSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472459 1079027621 /nfs/dbraw/zinc/02/76/21/1079027621.db2.gz PZVMHAGNLSCJNA-DYESRHJHSA-N 2 2 418.557 2.339 20 0 HEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563370 1079096824 /nfs/dbraw/zinc/09/68/24/1079096824.db2.gz OOSAWCUDVOTUCH-PBHICJAKSA-N 2 2 420.501 2.196 20 0 HEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563370 1079096826 /nfs/dbraw/zinc/09/68/26/1079096826.db2.gz OOSAWCUDVOTUCH-PBHICJAKSA-N 2 2 420.501 2.196 20 0 HEADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)CC1 ZINC001169091339 1079138703 /nfs/dbraw/zinc/13/87/03/1079138703.db2.gz NOABZSYXKIRGFW-UHFFFAOYSA-N 3 2 400.611 2.368 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128642 1079147668 /nfs/dbraw/zinc/14/76/68/1079147668.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128642 1079147675 /nfs/dbraw/zinc/14/76/75/1079147675.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)cc[nH+]1 ZINC001169128642 1079147679 /nfs/dbraw/zinc/14/76/79/1079147679.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)cc[nH+]1 ZINC001169128642 1079147682 /nfs/dbraw/zinc/14/76/82/1079147682.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 3 2 414.598 2.087 20 0 HEADLP CCC(CC)[C@H](C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001169249998 1079211774 /nfs/dbraw/zinc/21/17/74/1079211774.db2.gz HCNGRPZKLCOIFS-RBBKRZOGSA-N 2 2 403.567 2.175 20 0 HEADLP COc1cccc(C[NH+]2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)c1 ZINC001169551530 1079330421 /nfs/dbraw/zinc/33/04/21/1079330421.db2.gz RYOXPWDCZUAPQX-UHFFFAOYSA-N 2 2 401.551 2.230 20 0 HEADLP CCOC(=O)N1CCC[C@@H]([NH2+]C2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169661151 1079359056 /nfs/dbraw/zinc/35/90/56/1079359056.db2.gz FZCVLKLJZXOJAD-LJQANCHMSA-N 2 2 402.539 2.107 20 0 HEADLP CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667551 1079436655 /nfs/dbraw/zinc/43/66/55/1079436655.db2.gz LXGWYTBLCAUGKP-VGSWGCGISA-N 2 2 408.587 2.451 20 0 HEADLP CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667551 1079436661 /nfs/dbraw/zinc/43/66/61/1079436661.db2.gz LXGWYTBLCAUGKP-VGSWGCGISA-N 2 2 408.587 2.451 20 0 HEADLP C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738112093 1075966724 /nfs/dbraw/zinc/96/67/24/1075966724.db2.gz SABWPLZHOYTSSV-OEWRPIJISA-N 2 2 406.571 2.125 20 0 HEADLP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738147954 1075968688 /nfs/dbraw/zinc/96/86/88/1075968688.db2.gz HEWOHIXYDOOOMP-REWPJTCUSA-N 2 2 422.533 2.064 20 0 HEADLP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738147954 1075968690 /nfs/dbraw/zinc/96/86/90/1075968690.db2.gz HEWOHIXYDOOOMP-REWPJTCUSA-N 2 2 422.533 2.064 20 0 HEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000738211465 1075974532 /nfs/dbraw/zinc/97/45/32/1075974532.db2.gz WAWCQQYJNCEGSF-SFHVURJKSA-N 2 2 414.959 2.169 20 0 HEADLP CC(C)OCCC[N@H+](C)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000740856224 1076269123 /nfs/dbraw/zinc/26/91/23/1076269123.db2.gz BOIZQSDBQZIGOW-QFIPXVFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC(C)OCCC[N@@H+](C)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000740856224 1076269129 /nfs/dbraw/zinc/26/91/29/1076269129.db2.gz BOIZQSDBQZIGOW-QFIPXVFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC(C)OCCC[NH+](C)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000740856224 1076269137 /nfs/dbraw/zinc/26/91/37/1076269137.db2.gz BOIZQSDBQZIGOW-QFIPXVFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC(C)OCCC[NH+](C)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000740856224 1076269146 /nfs/dbraw/zinc/26/91/46/1076269146.db2.gz BOIZQSDBQZIGOW-QFIPXVFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC[N@H+](Cn1cc(C(=O)OC)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740856055 1076269252 /nfs/dbraw/zinc/26/92/52/1076269252.db2.gz MEECGVJPHPLIKJ-UHFFFAOYSA-N 2 2 401.515 2.235 20 0 HEADLP CC[N@@H+](Cn1cc(C(=O)OC)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740856055 1076269257 /nfs/dbraw/zinc/26/92/57/1076269257.db2.gz MEECGVJPHPLIKJ-UHFFFAOYSA-N 2 2 401.515 2.235 20 0 HEADLP CCOC(=O)N(C)C1CC[NH+](CCC[NH+]2CCC(N(C)C(=O)OCC)CC2)CC1 ZINC000740876405 1076277982 /nfs/dbraw/zinc/27/79/82/1076277982.db2.gz UECSKRVPITZLDQ-UHFFFAOYSA-N 2 2 412.575 2.482 20 0 HEADLP O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877668 1076279338 /nfs/dbraw/zinc/27/93/38/1076279338.db2.gz WKPSHKCEOFSXAE-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCN1C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877668 1076279345 /nfs/dbraw/zinc/27/93/45/1076279345.db2.gz WKPSHKCEOFSXAE-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCN1C[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877668 1076279349 /nfs/dbraw/zinc/27/93/49/1076279349.db2.gz WKPSHKCEOFSXAE-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCN1C[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877668 1076279359 /nfs/dbraw/zinc/27/93/59/1076279359.db2.gz WKPSHKCEOFSXAE-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP CC(C)[C@H](C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+]1CCCCC1 ZINC000741011501 1076328145 /nfs/dbraw/zinc/32/81/45/1076328145.db2.gz DCSIGGRVOVNEJR-OAQYLSRUSA-N 2 2 423.598 2.191 20 0 HEADLP CC[NH+]1CCN(c2ccc(CNC(=O)NCc3[nH+]cc(C)c(OC)c3C)cn2)CC1 ZINC000065304205 1076516867 /nfs/dbraw/zinc/51/68/67/1076516867.db2.gz QPXLWRGBLHBFNJ-UHFFFAOYSA-N 2 2 412.538 2.243 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000743099975 1076953604 /nfs/dbraw/zinc/95/36/04/1076953604.db2.gz ZZEFHGIDFHOVIT-UHFFFAOYSA-N 2 2 403.527 2.129 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000743099975 1076953615 /nfs/dbraw/zinc/95/36/15/1076953615.db2.gz ZZEFHGIDFHOVIT-UHFFFAOYSA-N 2 2 403.527 2.129 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000743138747 1076973082 /nfs/dbraw/zinc/97/30/82/1076973082.db2.gz FQEBCEGSWHJQFL-UHFFFAOYSA-N 2 2 407.534 2.152 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000743138747 1076973096 /nfs/dbraw/zinc/97/30/96/1076973096.db2.gz FQEBCEGSWHJQFL-UHFFFAOYSA-N 2 2 407.534 2.152 20 0 HEADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743271636 1077021287 /nfs/dbraw/zinc/02/12/87/1077021287.db2.gz JDNZTPJPRWAXMF-NRFANRHFSA-N 2 2 415.582 2.100 20 0 HEADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743271636 1077021293 /nfs/dbraw/zinc/02/12/93/1077021293.db2.gz JDNZTPJPRWAXMF-NRFANRHFSA-N 2 2 415.582 2.100 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000743414440 1077049985 /nfs/dbraw/zinc/04/99/85/1077049985.db2.gz XHPJCIMFGGBVFK-LJQANCHMSA-N 2 2 406.490 2.242 20 0 HEADLP C[C@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440914 1077395730 /nfs/dbraw/zinc/39/57/30/1077395730.db2.gz VZUYHCGJJMWXPK-JOCHJYFZSA-N 2 2 406.571 2.412 20 0 HEADLP CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771773126 1079526488 /nfs/dbraw/zinc/52/64/88/1079526488.db2.gz XAHSXPPMKABXNF-RTBURBONSA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771773126 1079526497 /nfs/dbraw/zinc/52/64/97/1079526497.db2.gz XAHSXPPMKABXNF-RTBURBONSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771988321 1079633080 /nfs/dbraw/zinc/63/30/80/1079633080.db2.gz WAOYRAYZYTYETA-KZNAEPCWSA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771988321 1079633092 /nfs/dbraw/zinc/63/30/92/1079633092.db2.gz WAOYRAYZYTYETA-KZNAEPCWSA-N 2 2 423.602 2.242 20 0 HEADLP COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785731186 1080204861 /nfs/dbraw/zinc/20/48/61/1080204861.db2.gz OBZOMEXONAWPHK-KDURUIRLSA-N 2 2 417.550 2.146 20 0 HEADLP COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785731186 1080204878 /nfs/dbraw/zinc/20/48/78/1080204878.db2.gz OBZOMEXONAWPHK-KDURUIRLSA-N 2 2 417.550 2.146 20 0 HEADLP COc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785731186 1080204889 /nfs/dbraw/zinc/20/48/89/1080204889.db2.gz OBZOMEXONAWPHK-KDURUIRLSA-N 2 2 417.550 2.146 20 0 HEADLP COc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785731186 1080204897 /nfs/dbraw/zinc/20/48/97/1080204897.db2.gz OBZOMEXONAWPHK-KDURUIRLSA-N 2 2 417.550 2.146 20 0 HEADLP Cc1cccc(C2(O)CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1C ZINC000768362476 1080513016 /nfs/dbraw/zinc/51/30/16/1080513016.db2.gz MDRHXNMFEYQNNZ-FQEVSTJZSA-N 2 2 414.594 2.465 20 0 HEADLP Cc1cccc(C2(O)CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1C ZINC000768362476 1080513036 /nfs/dbraw/zinc/51/30/36/1080513036.db2.gz MDRHXNMFEYQNNZ-FQEVSTJZSA-N 2 2 414.594 2.465 20 0 HEADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147509 1080961813 /nfs/dbraw/zinc/96/18/13/1080961813.db2.gz OYFMHQKGQHMNOZ-KSZLIROESA-N 2 2 410.603 2.458 20 0 HEADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147509 1080961836 /nfs/dbraw/zinc/96/18/36/1080961836.db2.gz OYFMHQKGQHMNOZ-KSZLIROESA-N 2 2 410.603 2.458 20 0 HEADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769231440 1081010300 /nfs/dbraw/zinc/01/03/00/1081010300.db2.gz BUDYNCDYXSQJKQ-SFHVURJKSA-N 2 2 404.559 2.060 20 0 HEADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769231440 1081010311 /nfs/dbraw/zinc/01/03/11/1081010311.db2.gz BUDYNCDYXSQJKQ-SFHVURJKSA-N 2 2 404.559 2.060 20 0 HEADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000746630962 1081017072 /nfs/dbraw/zinc/01/70/72/1081017072.db2.gz FRZLLMGVPBJJLB-GOSISDBHSA-N 2 2 409.412 2.481 20 0 HEADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000746630962 1081017081 /nfs/dbraw/zinc/01/70/81/1081017081.db2.gz FRZLLMGVPBJJLB-GOSISDBHSA-N 2 2 409.412 2.481 20 0 HEADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000787143463 1081027118 /nfs/dbraw/zinc/02/71/18/1081027118.db2.gz LDAYVQAIVDZPRI-HXUWFJFHSA-N 2 2 423.561 2.215 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501569 1081099031 /nfs/dbraw/zinc/09/90/31/1081099031.db2.gz BPXAQCFYNWQZIJ-PBHICJAKSA-N 2 2 402.461 2.328 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000769501569 1081099035 /nfs/dbraw/zinc/09/90/35/1081099035.db2.gz BPXAQCFYNWQZIJ-PBHICJAKSA-N 2 2 402.461 2.328 20 0 HEADLP C[NH+]1CCN(c2ncc(C[N@H+](C3CC3)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530322 1081110212 /nfs/dbraw/zinc/11/02/12/1081110212.db2.gz JWDOGPHWMYHREW-LJQANCHMSA-N 2 2 416.570 2.202 20 0 HEADLP C[NH+]1CCN(c2ncc(C[N@@H+](C3CC3)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530322 1081110214 /nfs/dbraw/zinc/11/02/14/1081110214.db2.gz JWDOGPHWMYHREW-LJQANCHMSA-N 2 2 416.570 2.202 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)[nH+]2)CC1 ZINC001164646624 719294346 /nfs/dbraw/zinc/29/43/46/719294346.db2.gz PBXSBFOJNKTHEX-QTEQDKRBSA-N 2 2 409.534 2.181 20 0 HEADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)nc[nH+]3)CC2)c2ccccc21 ZINC001164683142 719676470 /nfs/dbraw/zinc/67/64/70/719676470.db2.gz RAGQOYNAOOGJRG-QGZVFWFLSA-N 2 2 408.550 2.152 20 0 HEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819054 720187151 /nfs/dbraw/zinc/18/71/51/720187151.db2.gz VUVSNOBQPCEBHD-GHTZIAJQSA-N 2 2 403.596 2.215 20 0 HEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819054 720187159 /nfs/dbraw/zinc/18/71/59/720187159.db2.gz VUVSNOBQPCEBHD-GHTZIAJQSA-N 2 2 403.596 2.215 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752095 720807917 /nfs/dbraw/zinc/80/79/17/720807917.db2.gz YOWVDRGBQOYCJI-PCCBWWKXSA-N 2 2 422.581 2.356 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752095 720807919 /nfs/dbraw/zinc/80/79/19/720807919.db2.gz YOWVDRGBQOYCJI-PCCBWWKXSA-N 2 2 422.581 2.356 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752810 720808247 /nfs/dbraw/zinc/80/82/47/720808247.db2.gz ZYOYEQNZMNBPBB-MISYRCLQSA-N 2 2 408.554 2.330 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752810 720808250 /nfs/dbraw/zinc/80/82/50/720808250.db2.gz ZYOYEQNZMNBPBB-MISYRCLQSA-N 2 2 408.554 2.330 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748904 720843076 /nfs/dbraw/zinc/84/30/76/720843076.db2.gz VCNHIIXDXALOMD-SLFFLAALSA-N 2 2 409.538 2.319 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748904 720843077 /nfs/dbraw/zinc/84/30/77/720843077.db2.gz VCNHIIXDXALOMD-SLFFLAALSA-N 2 2 409.538 2.319 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887854 721378580 /nfs/dbraw/zinc/37/85/80/721378580.db2.gz IRBLOXYCBNOUPG-DENIHFKCSA-N 2 2 402.587 2.007 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164887854 721378582 /nfs/dbraw/zinc/37/85/82/721378582.db2.gz IRBLOXYCBNOUPG-DENIHFKCSA-N 2 2 402.587 2.007 20 0 HEADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164785989 721449696 /nfs/dbraw/zinc/44/96/96/721449696.db2.gz LEOSIBJVARDJFQ-LJQANCHMSA-N 2 2 403.571 2.277 20 0 HEADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164785989 721449757 /nfs/dbraw/zinc/44/97/57/721449757.db2.gz LEOSIBJVARDJFQ-LJQANCHMSA-N 2 2 403.571 2.277 20 0 HEADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164785989 721449894 /nfs/dbraw/zinc/44/98/94/721449894.db2.gz LEOSIBJVARDJFQ-LJQANCHMSA-N 2 2 403.571 2.277 20 0 HEADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164785989 721449986 /nfs/dbraw/zinc/44/99/86/721449986.db2.gz LEOSIBJVARDJFQ-LJQANCHMSA-N 2 2 403.571 2.277 20 0 HEADLP COc1cc2c[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc2cc1OC ZINC001164796445 721520110 /nfs/dbraw/zinc/52/01/10/721520110.db2.gz YRUHAGRKVKFHRE-UHFFFAOYSA-N 2 2 422.533 2.216 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165026017 721828852 /nfs/dbraw/zinc/82/88/52/721828852.db2.gz OBPZSVLDRHAVFB-YSIASYRMSA-N 2 2 404.522 2.498 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165026017 721828854 /nfs/dbraw/zinc/82/88/54/721828854.db2.gz OBPZSVLDRHAVFB-YSIASYRMSA-N 2 2 404.522 2.498 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165025787 721828910 /nfs/dbraw/zinc/82/89/10/721828910.db2.gz OBPZSVLDRHAVFB-DFQSSKMNSA-N 2 2 404.522 2.498 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165025787 721828911 /nfs/dbraw/zinc/82/89/11/721828911.db2.gz OBPZSVLDRHAVFB-DFQSSKMNSA-N 2 2 404.522 2.498 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@H]2CN2CCCC2=O)([NH+]2CCCCC2)CC1 ZINC000745878432 1078681836 /nfs/dbraw/zinc/68/18/36/1078681836.db2.gz OEMAQEYMYLTEGJ-FQEVSTJZSA-N 2 2 419.614 2.123 20 0 HEADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1ncn(-c2ccccc2)n1 ZINC000770693800 1078962951 /nfs/dbraw/zinc/96/29/51/1078962951.db2.gz WTNMBBXTDDLCOZ-UHFFFAOYSA-N 2 2 419.533 2.474 20 0 HEADLP COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4cc(OC)cc[nH+]4)CC3)CC2=O)cc1 ZINC001168955539 1079090757 /nfs/dbraw/zinc/09/07/57/1079090757.db2.gz QFVMMKOLBDKZCA-LJQANCHMSA-N 2 2 410.518 2.412 20 0 HEADLP COc1c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001169513771 1079318771 /nfs/dbraw/zinc/31/87/71/1079318771.db2.gz AWVZUVOZESURDS-FUHWJXTLSA-N 2 2 411.506 2.043 20 0 HEADLP CC(=O)N1CC[C@H]([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001169565028 1079332836 /nfs/dbraw/zinc/33/28/36/1079332836.db2.gz LIZMTOSJMKDXCD-FQEVSTJZSA-N 2 2 408.587 2.403 20 0 HEADLP CC(=O)N1CC[C@H]([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001169565028 1079332839 /nfs/dbraw/zinc/33/28/39/1079332839.db2.gz LIZMTOSJMKDXCD-FQEVSTJZSA-N 2 2 408.587 2.403 20 0 HEADLP CC(=O)N1CCC[C@H]([NH+]2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169634737 1079349409 /nfs/dbraw/zinc/34/94/09/1079349409.db2.gz RVYAZOUQCBYUSB-FQEVSTJZSA-N 2 2 408.587 2.451 20 0 HEADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774906 1079396124 /nfs/dbraw/zinc/39/61/24/1079396124.db2.gz YXQCOFDWXXZHTG-ZLNRFVROSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774906 1079396133 /nfs/dbraw/zinc/39/61/33/1079396133.db2.gz YXQCOFDWXXZHTG-ZLNRFVROSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774906 1079396139 /nfs/dbraw/zinc/39/61/39/1079396139.db2.gz YXQCOFDWXXZHTG-ZLNRFVROSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774906 1079396146 /nfs/dbraw/zinc/39/61/46/1079396146.db2.gz YXQCOFDWXXZHTG-ZLNRFVROSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774905 1079396215 /nfs/dbraw/zinc/39/62/15/1079396215.db2.gz YXQCOFDWXXZHTG-DNVJHFABSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774905 1079396223 /nfs/dbraw/zinc/39/62/23/1079396223.db2.gz YXQCOFDWXXZHTG-DNVJHFABSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774905 1079396230 /nfs/dbraw/zinc/39/62/30/1079396230.db2.gz YXQCOFDWXXZHTG-DNVJHFABSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001169774905 1079396239 /nfs/dbraw/zinc/39/62/39/1079396239.db2.gz YXQCOFDWXXZHTG-DNVJHFABSA-N 2 2 407.562 2.479 20 0 HEADLP CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[NH+]3CCC(C[NH+](C)C)CC3)c2c1 ZINC000738076900 1075958522 /nfs/dbraw/zinc/95/85/22/1075958522.db2.gz OYUPIANXPFOOMT-UHFFFAOYSA-N 2 2 412.581 2.445 20 0 HEADLP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738147952 1075968851 /nfs/dbraw/zinc/96/88/51/1075968851.db2.gz HEWOHIXYDOOOMP-NZQKXSOJSA-N 2 2 422.533 2.064 20 0 HEADLP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738147952 1075968857 /nfs/dbraw/zinc/96/88/57/1075968857.db2.gz HEWOHIXYDOOOMP-NZQKXSOJSA-N 2 2 422.533 2.064 20 0 HEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1 ZINC000738212245 1075974500 /nfs/dbraw/zinc/97/45/00/1075974500.db2.gz YDAHONVEDNGDNI-QHCPKHFHSA-N 2 2 414.550 2.160 20 0 HEADLP CN(C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739726939 1076079277 /nfs/dbraw/zinc/07/92/77/1076079277.db2.gz HDOQLZMNDIWPAI-OTWHNJEPSA-N 2 2 408.587 2.307 20 0 HEADLP CN(C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739726939 1076079283 /nfs/dbraw/zinc/07/92/83/1076079283.db2.gz HDOQLZMNDIWPAI-OTWHNJEPSA-N 2 2 408.587 2.307 20 0 HEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247759 1076140185 /nfs/dbraw/zinc/14/01/85/1076140185.db2.gz MPZQEMUTFWNQAF-RTBURBONSA-N 2 2 419.570 2.419 20 0 HEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247759 1076140190 /nfs/dbraw/zinc/14/01/90/1076140190.db2.gz MPZQEMUTFWNQAF-RTBURBONSA-N 2 2 419.570 2.419 20 0 HEADLP CC(C)[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCCC1 ZINC000741012824 1076328413 /nfs/dbraw/zinc/32/84/13/1076328413.db2.gz UUKYAPJQFPIKIZ-HXUWFJFHSA-N 2 2 407.580 2.446 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000741016243 1076337044 /nfs/dbraw/zinc/33/70/44/1076337044.db2.gz HQZFVLBFMZECQR-UFYCRDLUSA-N 2 2 401.551 2.444 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)c3c(F)cccc3Cl)CC2)CC1 ZINC000741276104 1076440748 /nfs/dbraw/zinc/44/07/48/1076440748.db2.gz PYIUTIOEGMGLPR-GOSISDBHSA-N 2 2 412.937 2.370 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)c3nnc4ccccn43)cc2)CC1 ZINC000741716027 1076590622 /nfs/dbraw/zinc/59/06/22/1076590622.db2.gz UNTJDNXQXNGZBT-KRWDZBQOSA-N 2 2 407.522 2.161 20 0 HEADLP Cc1cccc(C2(O)CC[NH+](CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)c1C ZINC000741799929 1076641470 /nfs/dbraw/zinc/64/14/70/1076641470.db2.gz GYRQWXPYQNBNGX-OAQYLSRUSA-N 2 2 417.594 2.060 20 0 HEADLP Cc1cccc(C2(O)CC[NH+](CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)c1C ZINC000741799929 1076641472 /nfs/dbraw/zinc/64/14/72/1076641472.db2.gz GYRQWXPYQNBNGX-OAQYLSRUSA-N 2 2 417.594 2.060 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nccc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022223 /nfs/dbraw/zinc/02/22/23/1077022223.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nccc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022231 /nfs/dbraw/zinc/02/22/31/1077022231.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2ccnc(NC[C@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022238 /nfs/dbraw/zinc/02/22/38/1077022238.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2ccnc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022247 /nfs/dbraw/zinc/02/22/47/1077022247.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300808 1077022253 /nfs/dbraw/zinc/02/22/53/1077022253.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300808 1077022259 /nfs/dbraw/zinc/02/22/59/1077022259.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2cc[nH+]c(NC[C@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022266 /nfs/dbraw/zinc/02/22/66/1077022266.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2cc[nH+]c(NC[C@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022274 /nfs/dbraw/zinc/02/22/74/1077022274.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 3 2 420.602 2.014 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3([NH+](C)C)CCOCC3)CC2)cc1 ZINC000743626556 1077082600 /nfs/dbraw/zinc/08/26/00/1077082600.db2.gz MFCMREIZJQPJGA-UHFFFAOYSA-N 2 2 403.571 2.131 20 0 HEADLP CCOC(=O)C1=C(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@@H]1C ZINC000743874696 1077157949 /nfs/dbraw/zinc/15/79/49/1077157949.db2.gz ZQHLHROLPIIXNV-MRXNPFEDSA-N 2 2 415.538 2.138 20 0 HEADLP CCOC(=O)C1=C(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@@H]1C ZINC000743874696 1077157967 /nfs/dbraw/zinc/15/79/67/1077157967.db2.gz ZQHLHROLPIIXNV-MRXNPFEDSA-N 2 2 415.538 2.138 20 0 HEADLP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000745084033 1077723760 /nfs/dbraw/zinc/72/37/60/1077723760.db2.gz QTMGRVQUSBHFHZ-NRFANRHFSA-N 2 2 401.551 2.493 20 0 HEADLP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000745084033 1077723767 /nfs/dbraw/zinc/72/37/67/1077723767.db2.gz QTMGRVQUSBHFHZ-NRFANRHFSA-N 2 2 401.551 2.493 20 0 HEADLP COc1ccc([C@@H](CNC(=O)COC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078817 1077733898 /nfs/dbraw/zinc/73/38/98/1077733898.db2.gz ICWHZAMQBCXEEV-LEWJYISDSA-N 2 2 417.550 2.366 20 0 HEADLP COc1ccc([C@@H](CNC(=O)COC(=O)[C@@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078817 1077733906 /nfs/dbraw/zinc/73/39/06/1077733906.db2.gz ICWHZAMQBCXEEV-LEWJYISDSA-N 2 2 417.550 2.366 20 0 HEADLP C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000766913308 1079504036 /nfs/dbraw/zinc/50/40/36/1079504036.db2.gz JNPYLRACLSCHQE-HRAATJIYSA-N 2 2 406.546 2.496 20 0 HEADLP CC(C)[NH+]1CCN(c2cccc(NC(=S)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000767917609 1080214972 /nfs/dbraw/zinc/21/49/72/1080214972.db2.gz ZIQZCAZWVARYJP-UHFFFAOYSA-N 2 2 405.612 2.226 20 0 HEADLP O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000786879957 1080884379 /nfs/dbraw/zinc/88/43/79/1080884379.db2.gz CIHAIXPSOURGCN-LJQANCHMSA-N 2 2 405.564 2.343 20 0 HEADLP O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000786879957 1080884380 /nfs/dbraw/zinc/88/43/80/1080884380.db2.gz CIHAIXPSOURGCN-LJQANCHMSA-N 2 2 405.564 2.343 20 0 HEADLP C[NH+](C)CCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787194475 1081057757 /nfs/dbraw/zinc/05/77/57/1081057757.db2.gz FCTVKQJPUGHHSN-UHFFFAOYSA-N 2 2 400.390 2.049 20 0 HEADLP Cc1cc2[nH]ccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164829968 720457180 /nfs/dbraw/zinc/45/71/80/720457180.db2.gz ILHNIBMVWCPZPO-QGZVFWFLSA-N 2 2 410.522 2.057 20 0 HEADLP Cc1cc2[nH]ccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164829963 720458016 /nfs/dbraw/zinc/45/80/16/720458016.db2.gz ILHNIBMVWCPZPO-KRWDZBQOSA-N 2 2 410.522 2.057 20 0 HEADLP COc1ccc2[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)cc(C)c2c1 ZINC001164752488 720954636 /nfs/dbraw/zinc/95/46/36/720954636.db2.gz ZEHIMXWSHZOHAZ-UHFFFAOYSA-N 2 2 409.490 2.394 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164894470 721378742 /nfs/dbraw/zinc/37/87/42/721378742.db2.gz YHGFDWNIKPCEHZ-NFBKMPQASA-N 2 2 414.598 2.151 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164894470 721378746 /nfs/dbraw/zinc/37/87/46/721378746.db2.gz YHGFDWNIKPCEHZ-NFBKMPQASA-N 2 2 414.598 2.151 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164798116 721571280 /nfs/dbraw/zinc/57/12/80/721571280.db2.gz ADVGIHNZWPQFMX-YZUZCNPQSA-N 3 2 422.577 2.272 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164798116 721571282 /nfs/dbraw/zinc/57/12/82/721571282.db2.gz ADVGIHNZWPQFMX-YZUZCNPQSA-N 3 2 422.577 2.272 20 0 HEADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000746155961 1078808342 /nfs/dbraw/zinc/80/83/42/1078808342.db2.gz SNHVAVUOOHWQKU-UHFFFAOYSA-N 2 2 404.518 2.404 20 0 HEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563481 1079100391 /nfs/dbraw/zinc/10/03/91/1079100391.db2.gz OOSAWCUDVOTUCH-RHSMWYFYSA-N 2 2 420.501 2.196 20 0 HEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563481 1079100393 /nfs/dbraw/zinc/10/03/93/1079100393.db2.gz OOSAWCUDVOTUCH-RHSMWYFYSA-N 2 2 420.501 2.196 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131777 1079151520 /nfs/dbraw/zinc/15/15/20/1079151520.db2.gz YZFBUDIBDYCKMR-FBAVSBLXSA-N 2 2 406.571 2.203 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131777 1079151523 /nfs/dbraw/zinc/15/15/23/1079151523.db2.gz YZFBUDIBDYCKMR-FBAVSBLXSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131777 1079151525 /nfs/dbraw/zinc/15/15/25/1079151525.db2.gz YZFBUDIBDYCKMR-FBAVSBLXSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@]3(CCCC(=O)N3)C1)C2 ZINC001169131777 1079151530 /nfs/dbraw/zinc/15/15/30/1079151530.db2.gz YZFBUDIBDYCKMR-FBAVSBLXSA-N 2 2 406.571 2.203 20 0 HEADLP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169114482 1079161694 /nfs/dbraw/zinc/16/16/94/1079161694.db2.gz KLXUJOYDJACWCB-CVDCTZTESA-N 2 2 409.486 2.106 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616184 1079181401 /nfs/dbraw/zinc/18/14/01/1079181401.db2.gz OJLQAINKKSFDOB-LEWJYISDSA-N 2 2 419.614 2.416 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616184 1079181410 /nfs/dbraw/zinc/18/14/10/1079181410.db2.gz OJLQAINKKSFDOB-LEWJYISDSA-N 2 2 419.614 2.416 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001687510680 1079252547 /nfs/dbraw/zinc/25/25/47/1079252547.db2.gz DACOUHNEFXVWMN-QFIPXVFZSA-N 2 2 423.561 2.329 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001687510680 1079252556 /nfs/dbraw/zinc/25/25/56/1079252556.db2.gz DACOUHNEFXVWMN-QFIPXVFZSA-N 2 2 423.561 2.329 20 0 HEADLP CCC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000766779191 1079360420 /nfs/dbraw/zinc/36/04/20/1079360420.db2.gz OFIYVIBMXVVFDK-IBGZPJMESA-N 2 2 400.527 2.218 20 0 HEADLP CCC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000766779191 1079360424 /nfs/dbraw/zinc/36/04/24/1079360424.db2.gz OFIYVIBMXVVFDK-IBGZPJMESA-N 2 2 400.527 2.218 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1C ZINC000739083878 1076029827 /nfs/dbraw/zinc/02/98/27/1076029827.db2.gz ZSXHBPUXHBDHIC-UHFFFAOYSA-N 2 2 414.506 2.211 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740916883 1076304683 /nfs/dbraw/zinc/30/46/83/1076304683.db2.gz DRFCNMLKHDRIPY-ZHALLVOQSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740916883 1076304687 /nfs/dbraw/zinc/30/46/87/1076304687.db2.gz DRFCNMLKHDRIPY-ZHALLVOQSA-N 2 2 423.602 2.100 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000741030919 1076330951 /nfs/dbraw/zinc/33/09/51/1076330951.db2.gz JDLHVJBDKDEAOZ-FQEVSTJZSA-N 2 2 401.551 2.447 20 0 HEADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743271637 1077021161 /nfs/dbraw/zinc/02/11/61/1077021161.db2.gz JDNZTPJPRWAXMF-OAQYLSRUSA-N 2 2 415.582 2.100 20 0 HEADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743271637 1077021168 /nfs/dbraw/zinc/02/11/68/1077021168.db2.gz JDNZTPJPRWAXMF-OAQYLSRUSA-N 2 2 415.582 2.100 20 0 HEADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccco1 ZINC000743413518 1077049378 /nfs/dbraw/zinc/04/93/78/1077049378.db2.gz FSUZEPXJSPWXOI-KRWDZBQOSA-N 2 2 410.478 2.307 20 0 HEADLP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000744325384 1077368575 /nfs/dbraw/zinc/36/85/75/1077368575.db2.gz GWTPXQJNJZEHSW-IBGZPJMESA-N 2 2 404.555 2.348 20 0 HEADLP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)C2=O)cc1 ZINC000744402277 1077380584 /nfs/dbraw/zinc/38/05/84/1077380584.db2.gz LUXZEDPIXBMYCW-JOCHJYFZSA-N 2 2 412.578 2.367 20 0 HEADLP CCN(CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771766222 1079520226 /nfs/dbraw/zinc/52/02/26/1079520226.db2.gz SRQUPHOAMQMPGX-SFHVURJKSA-N 2 2 411.591 2.053 20 0 HEADLP CCN(CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771766222 1079520232 /nfs/dbraw/zinc/52/02/32/1079520232.db2.gz SRQUPHOAMQMPGX-SFHVURJKSA-N 2 2 411.591 2.053 20 0 HEADLP O=C1C[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)CN1CC[NH+]1CCOCC1 ZINC000771957049 1079603537 /nfs/dbraw/zinc/60/35/37/1079603537.db2.gz GEPXPWXQRJYLNW-OAHLLOKOSA-N 2 2 403.470 2.321 20 0 HEADLP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000785560547 1080077487 /nfs/dbraw/zinc/07/74/87/1080077487.db2.gz IVKJZWFLHCNHAH-FQEVSTJZSA-N 2 2 411.550 2.284 20 0 HEADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175680 1080479546 /nfs/dbraw/zinc/47/95/46/1080479546.db2.gz UAMWIBLZSOVKBA-VQIMIIECSA-N 2 2 408.587 2.307 20 0 HEADLP C[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181972 1080483194 /nfs/dbraw/zinc/48/31/94/1080483194.db2.gz IPICLBUSRGDJBK-QRQLOZEOSA-N 2 2 408.587 2.259 20 0 HEADLP C[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181972 1080483200 /nfs/dbraw/zinc/48/32/00/1080483200.db2.gz IPICLBUSRGDJBK-QRQLOZEOSA-N 2 2 408.587 2.259 20 0 HEADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786855092 1080853263 /nfs/dbraw/zinc/85/32/63/1080853263.db2.gz XVYBYGTVZXQJLO-IBGZPJMESA-N 2 2 421.545 2.211 20 0 HEADLP COCOc1ccc(OC)cc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000769337844 1081047571 /nfs/dbraw/zinc/04/75/71/1081047571.db2.gz KOCGYXFFOOPYIF-UHFFFAOYSA-N 2 2 405.539 2.054 20 0 HEADLP CCOC(=O)C1=C(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@H]1C ZINC000787299525 1081097432 /nfs/dbraw/zinc/09/74/32/1081097432.db2.gz INDASOWCZHGTKM-GRXQJBFDSA-N 2 2 414.550 2.251 20 0 HEADLP CCOC(=O)C1=C(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@H]1C ZINC000787299525 1081097441 /nfs/dbraw/zinc/09/74/41/1081097441.db2.gz INDASOWCZHGTKM-GRXQJBFDSA-N 2 2 414.550 2.251 20 0 HEADLP C[NH+]1CCN(c2ncc(C[N@H+](C3CC3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530321 1081110185 /nfs/dbraw/zinc/11/01/85/1081110185.db2.gz JWDOGPHWMYHREW-IBGZPJMESA-N 2 2 416.570 2.202 20 0 HEADLP C[NH+]1CCN(c2ncc(C[N@@H+](C3CC3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530321 1081110189 /nfs/dbraw/zinc/11/01/89/1081110189.db2.gz JWDOGPHWMYHREW-IBGZPJMESA-N 2 2 416.570 2.202 20 0 HEADLP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528737 1081110246 /nfs/dbraw/zinc/11/02/46/1081110246.db2.gz YXIVRGBMWAMPOH-FXAWDEMLSA-N 2 2 401.551 2.468 20 0 HEADLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528737 1081110248 /nfs/dbraw/zinc/11/02/48/1081110248.db2.gz YXIVRGBMWAMPOH-FXAWDEMLSA-N 2 2 401.551 2.468 20 0 HEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164632981 719136508 /nfs/dbraw/zinc/13/65/08/719136508.db2.gz QSGGULKWIUZMDB-OAHLLOKOSA-N 2 2 415.563 2.117 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738758 720826562 /nfs/dbraw/zinc/82/65/62/720826562.db2.gz GGABAKWKGNSCQM-HSALFYBXSA-N 2 2 424.549 2.456 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738758 720826564 /nfs/dbraw/zinc/82/65/64/720826564.db2.gz GGABAKWKGNSCQM-HSALFYBXSA-N 2 2 424.549 2.456 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748908 720842892 /nfs/dbraw/zinc/84/28/92/720842892.db2.gz VCNHIIXDXALOMD-VAMGGRTRSA-N 2 2 409.538 2.319 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748908 720842894 /nfs/dbraw/zinc/84/28/94/720842894.db2.gz VCNHIIXDXALOMD-VAMGGRTRSA-N 2 2 409.538 2.319 20 0 HEADLP COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@@H]2C1 ZINC001164864401 720887602 /nfs/dbraw/zinc/88/76/02/720887602.db2.gz VRAYGXZGOZQSPB-IERDGZPVSA-N 2 2 401.507 2.426 20 0 HEADLP COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@@H]2C1 ZINC001164864401 720887603 /nfs/dbraw/zinc/88/76/03/720887603.db2.gz VRAYGXZGOZQSPB-IERDGZPVSA-N 2 2 401.507 2.426 20 0 HEADLP COc1cc2cc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2cc1F ZINC001164753350 720968281 /nfs/dbraw/zinc/96/82/81/720968281.db2.gz CQDGGWPZOGIYTN-UHFFFAOYSA-N 2 2 413.453 2.225 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879548 721177351 /nfs/dbraw/zinc/17/73/51/721177351.db2.gz TYXWDZQTWBKKRV-NZQKXSOJSA-N 3 2 423.561 2.429 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879548 721177353 /nfs/dbraw/zinc/17/73/53/721177353.db2.gz TYXWDZQTWBKKRV-NZQKXSOJSA-N 3 2 423.561 2.429 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887857 721378830 /nfs/dbraw/zinc/37/88/30/721378830.db2.gz IRBLOXYCBNOUPG-KNQAVFIVSA-N 2 2 402.587 2.007 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164887857 721378835 /nfs/dbraw/zinc/37/88/35/721378835.db2.gz IRBLOXYCBNOUPG-KNQAVFIVSA-N 2 2 402.587 2.007 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164894475 721379383 /nfs/dbraw/zinc/37/93/83/721379383.db2.gz YHGFDWNIKPCEHZ-OFNKIYASSA-N 2 2 414.598 2.151 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164894475 721379386 /nfs/dbraw/zinc/37/93/86/721379386.db2.gz YHGFDWNIKPCEHZ-OFNKIYASSA-N 2 2 414.598 2.151 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@@H]2CCCO[C@@H]12 ZINC001164798114 721571758 /nfs/dbraw/zinc/57/17/58/721571758.db2.gz ADVGIHNZWPQFMX-PQNGQFLHSA-N 3 2 422.577 2.272 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@@H]2CCCO[C@@H]12 ZINC001164798114 721571761 /nfs/dbraw/zinc/57/17/61/721571761.db2.gz ADVGIHNZWPQFMX-PQNGQFLHSA-N 3 2 422.577 2.272 20 0 HEADLP C[C@@H]1CCCN(c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc[nH+]2)C1 ZINC001165003732 722257503 /nfs/dbraw/zinc/25/75/03/722257503.db2.gz GVAWANJTTXURHH-GOSISDBHSA-N 2 2 413.570 2.398 20 0 HEADLP C[C@@H]1CCCN(c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)[nH+]cn2)C1 ZINC001165003732 722257506 /nfs/dbraw/zinc/25/75/06/722257506.db2.gz GVAWANJTTXURHH-GOSISDBHSA-N 2 2 413.570 2.398 20 0 HEADLP Cc1ccc(N2CCC[C@H](NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)C2=O)cc1 ZINC000745885019 1078686749 /nfs/dbraw/zinc/68/67/49/1078686749.db2.gz NMXQRCFSYJTJFJ-NRFANRHFSA-N 2 2 415.582 2.158 20 0 HEADLP Cc1ccc(N2CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)C2=O)cc1 ZINC000745885019 1078686754 /nfs/dbraw/zinc/68/67/54/1078686754.db2.gz NMXQRCFSYJTJFJ-NRFANRHFSA-N 2 2 415.582 2.158 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(N(C)CC(F)F)CC2)CC1 ZINC000746481433 1079040367 /nfs/dbraw/zinc/04/03/67/1079040367.db2.gz HVOYGOSDXJBXMI-UHFFFAOYSA-N 2 2 408.537 2.301 20 0 HEADLP COc1cc(Br)cc2c1nc(Cl)nc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169076475 1079113935 /nfs/dbraw/zinc/11/39/35/1079113935.db2.gz UEUXSSNMTBSXKX-SECBINFHSA-N 2 2 412.675 2.102 20 0 HEADLP CSc1ccc([C@H](O)[C@H](CO)Nc2nc(N3CCC(C[NH3+])CC3)[nH+]cc2C)cc1 ZINC001169088248 1079137705 /nfs/dbraw/zinc/13/77/05/1079137705.db2.gz RNXXKQISMDGWDF-OALUTQOASA-N 2 2 417.579 2.188 20 0 HEADLP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc(N3CC[NH+](C)CC3)cn2)c2ccccc12 ZINC001169112855 1079160297 /nfs/dbraw/zinc/16/02/97/1079160297.db2.gz MXOUKLNPUSCZQC-QHCPKHFHSA-N 2 2 407.518 2.210 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352375 1079248989 /nfs/dbraw/zinc/24/89/89/1079248989.db2.gz OYPMQJTWDCFJJR-PMACEKPBSA-N 2 2 404.507 2.138 20 0 HEADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352378 1079249006 /nfs/dbraw/zinc/24/90/06/1079249006.db2.gz OYPMQJTWDCFJJR-WOJBJXKFSA-N 2 2 404.507 2.138 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001687510679 1079252662 /nfs/dbraw/zinc/25/26/62/1079252662.db2.gz DACOUHNEFXVWMN-JOCHJYFZSA-N 2 2 423.561 2.329 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001687510679 1079252675 /nfs/dbraw/zinc/25/26/75/1079252675.db2.gz DACOUHNEFXVWMN-JOCHJYFZSA-N 2 2 423.561 2.329 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169424380 1079280793 /nfs/dbraw/zinc/28/07/93/1079280793.db2.gz ZCXBQPQZABAJGI-UXHICEINSA-N 2 2 404.507 2.138 20 0 HEADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169424381 1079280935 /nfs/dbraw/zinc/28/09/35/1079280935.db2.gz ZCXBQPQZABAJGI-VQTJNVASSA-N 2 2 404.507 2.138 20 0 HEADLP CC[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746507081 1079294399 /nfs/dbraw/zinc/29/43/99/1079294399.db2.gz SBKUMLIPRSMALT-KNQAVFIVSA-N 2 2 400.523 2.031 20 0 HEADLP CC[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746507081 1079294409 /nfs/dbraw/zinc/29/44/09/1079294409.db2.gz SBKUMLIPRSMALT-KNQAVFIVSA-N 2 2 400.523 2.031 20 0 HEADLP CC[NH+](C[C@H]1CCCO1)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746507081 1079294419 /nfs/dbraw/zinc/29/44/19/1079294419.db2.gz SBKUMLIPRSMALT-KNQAVFIVSA-N 2 2 400.523 2.031 20 0 HEADLP CC[NH+](C[C@H]1CCCO1)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746507081 1079294429 /nfs/dbraw/zinc/29/44/29/1079294429.db2.gz SBKUMLIPRSMALT-KNQAVFIVSA-N 2 2 400.523 2.031 20 0 HEADLP C[NH+]1CCN(c2cc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ncn2)CC1 ZINC001169509860 1079317582 /nfs/dbraw/zinc/31/75/82/1079317582.db2.gz DJQOJOWYNFDQEU-PMACEKPBSA-N 2 2 424.549 2.100 20 0 HEADLP C[NH+]1CCN(c2nccnc2N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC1 ZINC001169516318 1079320832 /nfs/dbraw/zinc/32/08/32/1079320832.db2.gz GIQAXVXYNGNYNW-WOJBJXKFSA-N 2 2 424.549 2.100 20 0 HEADLP CCC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000766779195 1079360336 /nfs/dbraw/zinc/36/03/36/1079360336.db2.gz OFIYVIBMXVVFDK-LJQANCHMSA-N 2 2 400.527 2.218 20 0 HEADLP CCC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000766779195 1079360342 /nfs/dbraw/zinc/36/03/42/1079360342.db2.gz OFIYVIBMXVVFDK-LJQANCHMSA-N 2 2 400.527 2.218 20 0 HEADLP CCOC(=O)N1CCC[C@@H]([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001169706816 1079381013 /nfs/dbraw/zinc/38/10/13/1079381013.db2.gz NCPUJDLYKJHHJX-GOSISDBHSA-N 2 2 402.543 2.210 20 0 HEADLP CCOC(=O)N1CCC[C@H]([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001169706819 1079381242 /nfs/dbraw/zinc/38/12/42/1079381242.db2.gz NCPUJDLYKJHHJX-SFHVURJKSA-N 2 2 402.543 2.210 20 0 HEADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000766881024 1079477496 /nfs/dbraw/zinc/47/74/96/1079477496.db2.gz UDQKXNKTLJAMHA-IBGZPJMESA-N 2 2 404.555 2.276 20 0 HEADLP Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(OCC[NH+](C)C)c1 ZINC000739081903 1076039412 /nfs/dbraw/zinc/03/94/12/1076039412.db2.gz RGRFPXFZPQCXAG-UHFFFAOYSA-N 2 2 421.501 2.376 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917879 1076305027 /nfs/dbraw/zinc/30/50/27/1076305027.db2.gz SLPBNXQIPMJCEI-DYVFJYSZSA-N 2 2 415.365 2.495 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917879 1076305029 /nfs/dbraw/zinc/30/50/29/1076305029.db2.gz SLPBNXQIPMJCEI-DYVFJYSZSA-N 2 2 415.365 2.495 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000741024673 1076340462 /nfs/dbraw/zinc/34/04/62/1076340462.db2.gz YKPYEFZUDXAGSS-AQNXPRMDSA-N 2 2 401.551 2.444 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)c1 ZINC000741028664 1076343259 /nfs/dbraw/zinc/34/32/59/1076343259.db2.gz HOPGSLZZBOWMFD-HXUWFJFHSA-N 2 2 401.551 2.447 20 0 HEADLP CN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000741689751 1076588271 /nfs/dbraw/zinc/58/82/71/1076588271.db2.gz GDCQGCJQPJBZEL-KRWDZBQOSA-N 2 2 404.486 2.023 20 0 HEADLP CN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000741689751 1076588275 /nfs/dbraw/zinc/58/82/75/1076588275.db2.gz GDCQGCJQPJBZEL-KRWDZBQOSA-N 2 2 404.486 2.023 20 0 HEADLP C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744439704 1077395316 /nfs/dbraw/zinc/39/53/16/1077395316.db2.gz CIMGLSYBVAUDDM-OEWRPIJISA-N 2 2 406.571 2.267 20 0 HEADLP CN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763057 1079516905 /nfs/dbraw/zinc/51/69/05/1079516905.db2.gz AXNLNBCRWFLFHI-MJGOQNOKSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763057 1079516913 /nfs/dbraw/zinc/51/69/13/1079516913.db2.gz AXNLNBCRWFLFHI-MJGOQNOKSA-N 2 2 423.602 2.196 20 0 HEADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764790 1079520317 /nfs/dbraw/zinc/52/03/17/1079520317.db2.gz DPUUXKTWFGYPKW-JXFKEZNVSA-N 2 2 413.566 2.076 20 0 HEADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764790 1079520332 /nfs/dbraw/zinc/52/03/32/1079520332.db2.gz DPUUXKTWFGYPKW-JXFKEZNVSA-N 2 2 413.566 2.076 20 0 HEADLP CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771769291 1079523203 /nfs/dbraw/zinc/52/32/03/1079523203.db2.gz VTKZMYCBIOCKPH-QGZVFWFLSA-N 2 2 411.591 2.100 20 0 HEADLP CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771769291 1079523213 /nfs/dbraw/zinc/52/32/13/1079523213.db2.gz VTKZMYCBIOCKPH-QGZVFWFLSA-N 2 2 411.591 2.100 20 0 HEADLP CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771773123 1079526206 /nfs/dbraw/zinc/52/62/06/1079526206.db2.gz XAHSXPPMKABXNF-OALUTQOASA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771773123 1079526212 /nfs/dbraw/zinc/52/62/12/1079526212.db2.gz XAHSXPPMKABXNF-OALUTQOASA-N 2 2 423.602 2.100 20 0 HEADLP Cc1c(-c2cc(CONC(=[NH2+])[C@H]3C[N@H+](Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137471 1079699437 /nfs/dbraw/zinc/69/94/37/1079699437.db2.gz MHQHYCJFVBQKJW-HXUWFJFHSA-N 2 2 410.478 2.283 20 0 HEADLP Cc1c(-c2cc(CONC(=[NH2+])[C@H]3C[N@@H+](Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137471 1079699438 /nfs/dbraw/zinc/69/94/38/1079699438.db2.gz MHQHYCJFVBQKJW-HXUWFJFHSA-N 2 2 410.478 2.283 20 0 HEADLP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000785568547 1080081710 /nfs/dbraw/zinc/08/17/10/1080081710.db2.gz VUIDJDXPEYKWKV-UHFFFAOYSA-N 2 2 412.534 2.481 20 0 HEADLP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000785572748 1080082648 /nfs/dbraw/zinc/08/26/48/1080082648.db2.gz AHXDGKVRUJKWKA-FQEVSTJZSA-N 2 2 411.550 2.284 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1C ZINC000786629553 1080725925 /nfs/dbraw/zinc/72/59/25/1080725925.db2.gz RNPCCJIATMEFPE-IBGZPJMESA-N 2 2 404.555 2.340 20 0 HEADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769231437 1081010348 /nfs/dbraw/zinc/01/03/48/1081010348.db2.gz BUDYNCDYXSQJKQ-GOSISDBHSA-N 2 2 404.559 2.060 20 0 HEADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769231437 1081010358 /nfs/dbraw/zinc/01/03/58/1081010358.db2.gz BUDYNCDYXSQJKQ-GOSISDBHSA-N 2 2 404.559 2.060 20 0 HEADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)C1 ZINC000769382661 1081058704 /nfs/dbraw/zinc/05/87/04/1081058704.db2.gz ZXYKUSXSYLCHGO-QFIPXVFZSA-N 2 2 409.578 2.283 20 0 HEADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)C1 ZINC000769382661 1081058716 /nfs/dbraw/zinc/05/87/16/1081058716.db2.gz ZXYKUSXSYLCHGO-QFIPXVFZSA-N 2 2 409.578 2.283 20 0 HEADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000769384817 1081059545 /nfs/dbraw/zinc/05/95/45/1081059545.db2.gz WDZGOEJGQGFMKP-UHFFFAOYSA-N 2 2 404.559 2.060 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423996 1081068969 /nfs/dbraw/zinc/06/89/69/1081068969.db2.gz IKLMZYIHKQNKEI-HKUYNNGSSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423996 1081068971 /nfs/dbraw/zinc/06/89/71/1081068971.db2.gz IKLMZYIHKQNKEI-HKUYNNGSSA-N 2 2 418.586 2.354 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)[nH+]2)CC1 ZINC001164646627 719294278 /nfs/dbraw/zinc/29/42/78/719294278.db2.gz PBXSBFOJNKTHEX-VIZSFHNOSA-N 2 2 409.534 2.181 20 0 HEADLP COc1c[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821207 720284933 /nfs/dbraw/zinc/28/49/33/720284933.db2.gz ZDAUGJYQINULID-MSOLQXFVSA-N 2 2 416.570 2.217 20 0 HEADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001164839559 720566109 /nfs/dbraw/zinc/56/61/09/720566109.db2.gz QMRVPSRSVSAULE-FKBYEOEOSA-N 3 2 423.609 2.408 20 0 HEADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001164839559 720566117 /nfs/dbraw/zinc/56/61/17/720566117.db2.gz QMRVPSRSVSAULE-FKBYEOEOSA-N 3 2 423.609 2.408 20 0 HEADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890329 721450484 /nfs/dbraw/zinc/45/04/84/721450484.db2.gz QWJZDPOKSGLASP-UPVQGACJSA-N 2 2 413.610 2.443 20 0 HEADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)c1 ZINC001164915658 721800348 /nfs/dbraw/zinc/80/03/48/721800348.db2.gz XGPGGLNFBVTIKO-DEOSSOPVSA-N 2 2 423.561 2.180 20 0 HEADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)c1 ZINC001164915658 721800350 /nfs/dbraw/zinc/80/03/50/721800350.db2.gz XGPGGLNFBVTIKO-DEOSSOPVSA-N 2 2 423.561 2.180 20 0 HEADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955283 722020161 /nfs/dbraw/zinc/02/01/61/722020161.db2.gz DFYIIINITRWFEX-UHFFFAOYSA-N 3 2 407.566 2.292 20 0 HEADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955283 722020164 /nfs/dbraw/zinc/02/01/64/722020164.db2.gz DFYIIINITRWFEX-UHFFFAOYSA-N 3 2 407.566 2.292 20 0 HEADLP C[C@@H](C[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC000769692313 1078521505 /nfs/dbraw/zinc/52/15/05/1078521505.db2.gz IAFZNJXTNDKTKY-ROUUACIJSA-N 2 2 419.570 2.402 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2CN2CCCC2=O)([NH+]2CCCCC2)CC1 ZINC000745878436 1078681902 /nfs/dbraw/zinc/68/19/02/1078681902.db2.gz OEMAQEYMYLTEGJ-HXUWFJFHSA-N 2 2 419.614 2.123 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)c(F)c1 ZINC000746453878 1078984185 /nfs/dbraw/zinc/98/41/85/1078984185.db2.gz OJKGXKCRSFFZBX-GOSISDBHSA-N 2 2 413.497 2.280 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)c(F)c1 ZINC000746453878 1078984190 /nfs/dbraw/zinc/98/41/90/1078984190.db2.gz OJKGXKCRSFFZBX-GOSISDBHSA-N 2 2 413.497 2.280 20 0 HEADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC001169261141 1079214737 /nfs/dbraw/zinc/21/47/37/1079214737.db2.gz ACWNWRXXOVFUFC-QGZVFWFLSA-N 2 2 405.539 2.391 20 0 HEADLP CC[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC001169261141 1079214743 /nfs/dbraw/zinc/21/47/43/1079214743.db2.gz ACWNWRXXOVFUFC-QGZVFWFLSA-N 2 2 405.539 2.391 20 0 HEADLP C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000746477813 1079226763 /nfs/dbraw/zinc/22/67/63/1079226763.db2.gz GHRZMODVQRRUGZ-HNNXBMFYSA-N 2 2 423.989 2.478 20 0 HEADLP CCOC(=O)N1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001169639468 1079363203 /nfs/dbraw/zinc/36/32/03/1079363203.db2.gz KTCLYPYYPMKKFN-FQEVSTJZSA-N 2 2 405.539 2.498 20 0 HEADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774451 1079395047 /nfs/dbraw/zinc/39/50/47/1079395047.db2.gz YXQCOFDWXXZHTG-VJBWXMMDSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774451 1079395059 /nfs/dbraw/zinc/39/50/59/1079395059.db2.gz YXQCOFDWXXZHTG-VJBWXMMDSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774451 1079395065 /nfs/dbraw/zinc/39/50/65/1079395065.db2.gz YXQCOFDWXXZHTG-VJBWXMMDSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774451 1079395074 /nfs/dbraw/zinc/39/50/74/1079395074.db2.gz YXQCOFDWXXZHTG-VJBWXMMDSA-N 2 2 407.562 2.479 20 0 HEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000738211457 1075973876 /nfs/dbraw/zinc/97/38/76/1075973876.db2.gz WAWCQQYJNCEGSF-GOSISDBHSA-N 2 2 414.959 2.169 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000740058004 1076099426 /nfs/dbraw/zinc/09/94/26/1076099426.db2.gz PEOQZIFOAXDXDO-ABHNRTSZSA-N 2 2 423.602 2.290 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000740058004 1076099433 /nfs/dbraw/zinc/09/94/33/1076099433.db2.gz PEOQZIFOAXDXDO-ABHNRTSZSA-N 2 2 423.602 2.290 20 0 HEADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740821845 1076247324 /nfs/dbraw/zinc/24/73/24/1076247324.db2.gz OLJOCHIVIZFADA-OAHLLOKOSA-N 2 2 415.987 2.232 20 0 HEADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740821845 1076247330 /nfs/dbraw/zinc/24/73/30/1076247330.db2.gz OLJOCHIVIZFADA-OAHLLOKOSA-N 2 2 415.987 2.232 20 0 HEADLP CCN1C(=O)CN(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1=O ZINC000740855799 1076269185 /nfs/dbraw/zinc/26/91/85/1076269185.db2.gz JBUZBOZCIHFVEC-UHFFFAOYSA-N 2 2 402.543 2.441 20 0 HEADLP CCN1C(=O)CN(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1=O ZINC000740855799 1076269189 /nfs/dbraw/zinc/26/91/89/1076269189.db2.gz JBUZBOZCIHFVEC-UHFFFAOYSA-N 2 2 402.543 2.441 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000741030920 1076331101 /nfs/dbraw/zinc/33/11/01/1076331101.db2.gz JDLHVJBDKDEAOZ-HXUWFJFHSA-N 2 2 401.551 2.447 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000741024674 1076340492 /nfs/dbraw/zinc/34/04/92/1076340492.db2.gz YKPYEFZUDXAGSS-HSALFYBXSA-N 2 2 401.551 2.444 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000741024674 1076340498 /nfs/dbraw/zinc/34/04/98/1076340498.db2.gz YKPYEFZUDXAGSS-HSALFYBXSA-N 2 2 401.551 2.444 20 0 HEADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000742010630 1076705766 /nfs/dbraw/zinc/70/57/66/1076705766.db2.gz GSTIGZFQSCBVAF-SFHVURJKSA-N 2 2 408.587 2.452 20 0 HEADLP COCc1nc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000742358374 1076830395 /nfs/dbraw/zinc/83/03/95/1076830395.db2.gz CKIODLBRNHIFSI-UHFFFAOYSA-N 2 2 403.552 2.496 20 0 HEADLP CN(C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000742662306 1076861405 /nfs/dbraw/zinc/86/14/05/1076861405.db2.gz FSGXWBDWBACDBR-MOPGFXCFSA-N 2 2 408.587 2.403 20 0 HEADLP CN(C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000742662306 1076861408 /nfs/dbraw/zinc/86/14/08/1076861408.db2.gz FSGXWBDWBACDBR-MOPGFXCFSA-N 2 2 408.587 2.403 20 0 HEADLP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1N1CCOC1=O ZINC000743235235 1077010877 /nfs/dbraw/zinc/01/08/77/1077010877.db2.gz CAQQYMHWTBAGHA-UHFFFAOYSA-N 2 2 419.526 2.142 20 0 HEADLP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1N1CCOC1=O ZINC000743235235 1077010884 /nfs/dbraw/zinc/01/08/84/1077010884.db2.gz CAQQYMHWTBAGHA-UHFFFAOYSA-N 2 2 419.526 2.142 20 0 HEADLP Cc1c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1N1CCOC1=O ZINC000743247397 1077013805 /nfs/dbraw/zinc/01/38/05/1077013805.db2.gz IRUXBLAQUHQVDC-UHFFFAOYSA-N 2 2 403.527 2.441 20 0 HEADLP Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1N1CCOC1=O ZINC000743247397 1077013810 /nfs/dbraw/zinc/01/38/10/1077013810.db2.gz IRUXBLAQUHQVDC-UHFFFAOYSA-N 2 2 403.527 2.441 20 0 HEADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000743589303 1077073363 /nfs/dbraw/zinc/07/33/63/1077073363.db2.gz HYWZOJUCDKPYOR-QGZVFWFLSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625623 1077082473 /nfs/dbraw/zinc/08/24/73/1077082473.db2.gz FBYFKTVSMPYZQI-MJGOQNOKSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625623 1077082480 /nfs/dbraw/zinc/08/24/80/1077082480.db2.gz FBYFKTVSMPYZQI-MJGOQNOKSA-N 2 2 423.602 2.196 20 0 HEADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764793 1079520502 /nfs/dbraw/zinc/52/05/02/1079520502.db2.gz DPUUXKTWFGYPKW-OXJNMPFZSA-N 2 2 413.566 2.076 20 0 HEADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764793 1079520514 /nfs/dbraw/zinc/52/05/14/1079520514.db2.gz DPUUXKTWFGYPKW-OXJNMPFZSA-N 2 2 413.566 2.076 20 0 HEADLP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000785560548 1080077405 /nfs/dbraw/zinc/07/74/05/1080077405.db2.gz IVKJZWFLHCNHAH-HXUWFJFHSA-N 2 2 411.550 2.284 20 0 HEADLP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000785572749 1080082532 /nfs/dbraw/zinc/08/25/32/1080082532.db2.gz AHXDGKVRUJKWKA-HXUWFJFHSA-N 2 2 411.550 2.284 20 0 HEADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000785574310 1080082995 /nfs/dbraw/zinc/08/29/95/1080082995.db2.gz NNXHKZCSUDSTKZ-OAQYLSRUSA-N 2 2 423.561 2.428 20 0 HEADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767927896 1080227951 /nfs/dbraw/zinc/22/79/51/1080227951.db2.gz OPVDXXRRGNMKPK-UHFFFAOYSA-N 2 2 423.561 2.231 20 0 HEADLP CNC(=O)c1ccc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000786112733 1080404695 /nfs/dbraw/zinc/40/46/95/1080404695.db2.gz XOVCBICLCKJBOF-UHFFFAOYSA-N 2 2 409.534 2.253 20 0 HEADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](c3nc4c(s3)CCCC4)C1)C2=O ZINC000768490137 1080601891 /nfs/dbraw/zinc/60/18/91/1080601891.db2.gz NEHIXZAUHDXWAH-HNNXBMFYSA-N 2 2 417.579 2.175 20 0 HEADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](c3nc4c(s3)CCCC4)C1)C2=O ZINC000768490137 1080601897 /nfs/dbraw/zinc/60/18/97/1080601897.db2.gz NEHIXZAUHDXWAH-HNNXBMFYSA-N 2 2 417.579 2.175 20 0 HEADLP [NH3+]CCN(c1ccc(Cn2cc[nH+]c2)cn1)S(=O)(=O)c1cccc2cnccc21 ZINC001170071029 1081075885 /nfs/dbraw/zinc/07/58/85/1081075885.db2.gz KOCWZTDHPMKHSE-UHFFFAOYSA-N 2 2 408.487 2.029 20 0 HEADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000787290856 1081094676 /nfs/dbraw/zinc/09/46/76/1081094676.db2.gz NUHOGVPEWLRSSK-FQEVSTJZSA-N 2 2 409.534 2.038 20 0 HEADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cn2)CC1 ZINC000769513672 1081104243 /nfs/dbraw/zinc/10/42/43/1081104243.db2.gz FPXVSAZHWXSXCM-MOPGFXCFSA-N 2 2 416.570 2.202 20 0 HEADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cn2)CC1 ZINC000769513672 1081104247 /nfs/dbraw/zinc/10/42/47/1081104247.db2.gz FPXVSAZHWXSXCM-MOPGFXCFSA-N 2 2 416.570 2.202 20 0 HEADLP CN(C[C@@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000769548255 1081121158 /nfs/dbraw/zinc/12/11/58/1081121158.db2.gz JCMLUKLQCSPILD-SFHVURJKSA-N 2 2 404.559 2.060 20 0 HEADLP CN(C[C@@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000769548255 1081121174 /nfs/dbraw/zinc/12/11/74/1081121174.db2.gz JCMLUKLQCSPILD-SFHVURJKSA-N 2 2 404.559 2.060 20 0 HEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001164635862 719137729 /nfs/dbraw/zinc/13/77/29/719137729.db2.gz XGOBVQYECYIOJT-MRXNPFEDSA-N 2 2 411.531 2.371 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752093 720808109 /nfs/dbraw/zinc/80/81/09/720808109.db2.gz YOWVDRGBQOYCJI-NJDAHSKKSA-N 2 2 422.581 2.356 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1N1CCCC1 ZINC001164752093 720808112 /nfs/dbraw/zinc/80/81/12/720808112.db2.gz YOWVDRGBQOYCJI-NJDAHSKKSA-N 2 2 422.581 2.356 20 0 HEADLP COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@H]2C1 ZINC001164864407 720887352 /nfs/dbraw/zinc/88/73/52/720887352.db2.gz VRAYGXZGOZQSPB-KKSFZXQISA-N 2 2 401.507 2.426 20 0 HEADLP COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@H]2C1 ZINC001164864407 720887356 /nfs/dbraw/zinc/88/73/56/720887356.db2.gz VRAYGXZGOZQSPB-KKSFZXQISA-N 2 2 401.507 2.426 20 0 HEADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895452 721429939 /nfs/dbraw/zinc/42/99/39/721429939.db2.gz PEBMHEQTPDWKTI-HTAPYJJXSA-N 2 2 420.001 2.146 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)[nH+]2)CC1 ZINC001164899580 721506619 /nfs/dbraw/zinc/50/66/19/721506619.db2.gz LFOMGMBBSVQYGC-UHFFFAOYSA-N 2 2 420.561 2.390 20 0 HEADLP C[NH+]1CCC(CNC(=O)NCc2cccnc2-n2ccnc2)([NH+]2CCCCC2)CC1 ZINC000745484831 1078495719 /nfs/dbraw/zinc/49/57/19/1078495719.db2.gz YKRIWQLDSYEHCJ-UHFFFAOYSA-N 2 2 411.554 2.017 20 0 HEADLP CC(C)CNC(=O)C1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000745878952 1078682486 /nfs/dbraw/zinc/68/24/86/1078682486.db2.gz WDZYNESIUZOWQY-UHFFFAOYSA-N 2 2 421.630 2.131 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252074 1078832437 /nfs/dbraw/zinc/83/24/37/1078832437.db2.gz BJUDFJVETRAQMF-BQFCYCMXSA-N 2 2 424.586 2.032 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252074 1078832438 /nfs/dbraw/zinc/83/24/38/1078832438.db2.gz BJUDFJVETRAQMF-BQFCYCMXSA-N 2 2 424.586 2.032 20 0 HEADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000766410533 1078964367 /nfs/dbraw/zinc/96/43/67/1078964367.db2.gz GTBCVEPCMQJTJM-UHFFFAOYSA-N 2 2 409.542 2.386 20 0 HEADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850732 1079061688 /nfs/dbraw/zinc/06/16/88/1079061688.db2.gz QVVOERFPZLYKLV-CNNODRBYSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850732 1079061691 /nfs/dbraw/zinc/06/16/91/1079061691.db2.gz QVVOERFPZLYKLV-CNNODRBYSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850732 1079061694 /nfs/dbraw/zinc/06/16/94/1079061694.db2.gz QVVOERFPZLYKLV-CNNODRBYSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850732 1079061699 /nfs/dbraw/zinc/06/16/99/1079061699.db2.gz QVVOERFPZLYKLV-CNNODRBYSA-N 2 2 411.587 2.445 20 0 HEADLP CCCC[N@H+](C)CC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020334 1079100353 /nfs/dbraw/zinc/10/03/53/1079100353.db2.gz OLFWNCPEZXHCPC-IRXDYDNUSA-N 2 2 414.616 2.219 20 0 HEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020334 1079100359 /nfs/dbraw/zinc/10/03/59/1079100359.db2.gz OLFWNCPEZXHCPC-IRXDYDNUSA-N 2 2 414.616 2.219 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128289 1079147221 /nfs/dbraw/zinc/14/72/21/1079147221.db2.gz CFTLOQXMBYZKCP-VQQMMKBISA-N 2 2 400.498 2.288 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128289 1079147229 /nfs/dbraw/zinc/14/72/29/1079147229.db2.gz CFTLOQXMBYZKCP-VQQMMKBISA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128289 1079147231 /nfs/dbraw/zinc/14/72/31/1079147231.db2.gz CFTLOQXMBYZKCP-VQQMMKBISA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128289 1079147236 /nfs/dbraw/zinc/14/72/36/1079147236.db2.gz CFTLOQXMBYZKCP-VQQMMKBISA-N 2 2 400.498 2.288 20 0 HEADLP CC[NH+](CC)C1CCN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000052070434 1079359114 /nfs/dbraw/zinc/35/91/14/1079359114.db2.gz QFFGGVVGLQMUPG-UHFFFAOYSA-N 2 2 416.614 2.363 20 0 HEADLP Cc1ccccc1[C@@]1(C)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738111552 1075965629 /nfs/dbraw/zinc/96/56/29/1075965629.db2.gz NHAZWYYHIPFBIS-HSZRJFAPSA-N 2 2 414.550 2.154 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709568 1076074448 /nfs/dbraw/zinc/07/44/48/1076074448.db2.gz WECQUAIEHUPDDV-OALUTQOASA-N 2 2 408.587 2.355 20 0 HEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247142 1076146299 /nfs/dbraw/zinc/14/62/99/1076146299.db2.gz MPZQEMUTFWNQAF-OALUTQOASA-N 2 2 419.570 2.419 20 0 HEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766247142 1076146305 /nfs/dbraw/zinc/14/63/05/1076146305.db2.gz MPZQEMUTFWNQAF-OALUTQOASA-N 2 2 419.570 2.419 20 0 HEADLP C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)([NH+]2CCCCC2)CC1 ZINC000742011825 1076706579 /nfs/dbraw/zinc/70/65/79/1076706579.db2.gz QBKUQFUDYADVGW-UHFFFAOYSA-N 2 2 400.502 2.087 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)[C@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000743364765 1077033431 /nfs/dbraw/zinc/03/34/31/1077033431.db2.gz PGXWWTATFXEAFR-AUSIDOKSSA-N 2 2 412.578 2.430 20 0 HEADLP COc1ccc([C@H](CNC(=O)COC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078820 1077734039 /nfs/dbraw/zinc/73/40/39/1077734039.db2.gz ICWHZAMQBCXEEV-SFTDATJTSA-N 2 2 417.550 2.366 20 0 HEADLP COc1ccc([C@H](CNC(=O)COC(=O)[C@@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000745078820 1077734058 /nfs/dbraw/zinc/73/40/58/1077734058.db2.gz ICWHZAMQBCXEEV-SFTDATJTSA-N 2 2 417.550 2.366 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2)CC1 ZINC000745082877 1077735226 /nfs/dbraw/zinc/73/52/26/1077735226.db2.gz JLUQBDBYQUKJKI-FQEVSTJZSA-N 2 2 402.539 2.185 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CCCC[N@H+]3CC)cc2)CC1 ZINC000745082877 1077735248 /nfs/dbraw/zinc/73/52/48/1077735248.db2.gz JLUQBDBYQUKJKI-FQEVSTJZSA-N 2 2 402.539 2.185 20 0 HEADLP C[NH+]1CCC(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000745285389 1077803521 /nfs/dbraw/zinc/80/35/21/1077803521.db2.gz XEIUKWOESXNVBE-UHFFFAOYSA-N 2 2 423.508 2.153 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000771767119 1079521665 /nfs/dbraw/zinc/52/16/65/1079521665.db2.gz JIYJSQYTWPJBFJ-FQEVSTJZSA-N 2 2 417.554 2.217 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000771767119 1079521673 /nfs/dbraw/zinc/52/16/73/1079521673.db2.gz JIYJSQYTWPJBFJ-FQEVSTJZSA-N 2 2 417.554 2.217 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771988320 1079631865 /nfs/dbraw/zinc/63/18/65/1079631865.db2.gz WAOYRAYZYTYETA-KURKYZTESA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771988320 1079631884 /nfs/dbraw/zinc/63/18/84/1079631884.db2.gz WAOYRAYZYTYETA-KURKYZTESA-N 2 2 423.602 2.242 20 0 HEADLP C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113556 1079666443 /nfs/dbraw/zinc/66/64/43/1079666443.db2.gz WHHVVYZUABTXCI-FXAWDEMLSA-N 2 2 419.591 2.136 20 0 HEADLP C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113556 1079666445 /nfs/dbraw/zinc/66/64/45/1079666445.db2.gz WHHVVYZUABTXCI-FXAWDEMLSA-N 2 2 419.591 2.136 20 0 HEADLP Cc1ccccc1C[NH+]1CCCN(C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000767115787 1079683032 /nfs/dbraw/zinc/68/30/32/1079683032.db2.gz KKQXRDKIMIUOHM-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccccc1C[NH+]1CCCN(C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000767115787 1079683067 /nfs/dbraw/zinc/68/30/67/1079683067.db2.gz KKQXRDKIMIUOHM-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000767115787 1079683095 /nfs/dbraw/zinc/68/30/95/1079683095.db2.gz KKQXRDKIMIUOHM-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000767115787 1079683134 /nfs/dbraw/zinc/68/31/34/1079683134.db2.gz KKQXRDKIMIUOHM-FQEVSTJZSA-N 2 2 419.591 2.010 20 0 HEADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCCCCC1 ZINC000786626921 1080721353 /nfs/dbraw/zinc/72/13/53/1080721353.db2.gz KLXMJCQWGFQKTL-RTBURBONSA-N 2 2 403.571 2.143 20 0 HEADLP CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000768724490 1080741570 /nfs/dbraw/zinc/74/15/70/1080741570.db2.gz DUJGUHNSFAKJTJ-UHFFFAOYSA-N 2 2 411.591 2.053 20 0 HEADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1cccs1 ZINC000769063046 1080919239 /nfs/dbraw/zinc/91/92/39/1080919239.db2.gz DELBWQFLWJLNQI-MRXNPFEDSA-N 2 2 410.584 2.456 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1C ZINC000769086363 1080934209 /nfs/dbraw/zinc/93/42/09/1080934209.db2.gz LPSUWTGBHPDNFQ-PZJWPPBQSA-N 2 2 412.534 2.389 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1C ZINC000769086363 1080934222 /nfs/dbraw/zinc/93/42/22/1080934222.db2.gz LPSUWTGBHPDNFQ-PZJWPPBQSA-N 2 2 412.534 2.389 20 0 HEADLP Cn1nc(Br)cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000787127506 1081035726 /nfs/dbraw/zinc/03/57/26/1081035726.db2.gz DJCRRBGTLQLRSQ-UHFFFAOYSA-N 2 2 414.392 2.099 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C ZINC000787159284 1081037406 /nfs/dbraw/zinc/03/74/06/1081037406.db2.gz DVNMBVKNZSIRGC-UHFFFAOYSA-N 2 2 412.534 2.480 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000787159284 1081037414 /nfs/dbraw/zinc/03/74/14/1081037414.db2.gz DVNMBVKNZSIRGC-UHFFFAOYSA-N 2 2 412.534 2.480 20 0 HEADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000769383612 1081059231 /nfs/dbraw/zinc/05/92/31/1081059231.db2.gz KBJBAGIEFHZJAC-LJQANCHMSA-N 2 2 405.539 2.497 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423998 1081069069 /nfs/dbraw/zinc/06/90/69/1081069069.db2.gz IKLMZYIHKQNKEI-MJGOQNOKSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423998 1081069075 /nfs/dbraw/zinc/06/90/75/1081069075.db2.gz IKLMZYIHKQNKEI-MJGOQNOKSA-N 2 2 418.586 2.354 20 0 HEADLP CCOC(=O)C1=C(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@@H]1C ZINC000787299526 1081097333 /nfs/dbraw/zinc/09/73/33/1081097333.db2.gz INDASOWCZHGTKM-WOYCLPQFSA-N 2 2 414.550 2.251 20 0 HEADLP CCOC(=O)C1=C(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@@H]1C ZINC000787299526 1081097340 /nfs/dbraw/zinc/09/73/40/1081097340.db2.gz INDASOWCZHGTKM-WOYCLPQFSA-N 2 2 414.550 2.251 20 0 HEADLP O=C1COc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2N1 ZINC001164699063 719892997 /nfs/dbraw/zinc/89/29/97/719892997.db2.gz WOEMAADXZDSSHD-UHFFFAOYSA-N 2 2 400.504 2.345 20 0 HEADLP O=C1COc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2N1 ZINC001164699063 719892998 /nfs/dbraw/zinc/89/29/98/719892998.db2.gz WOEMAADXZDSSHD-UHFFFAOYSA-N 2 2 400.504 2.345 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829658 720316395 /nfs/dbraw/zinc/31/63/95/720316395.db2.gz MYUQTMHIEJQFAT-RBUKOAKNSA-N 2 2 414.550 2.397 20 0 HEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(N(C)C)cc[nH+]4)CC3)C2=O)cs1 ZINC001164824787 720369621 /nfs/dbraw/zinc/36/96/21/720369621.db2.gz LCOFUOLENJSQHB-UHFFFAOYSA-N 2 2 414.579 2.226 20 0 HEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(N(C)C)cc[nH+]4)CC3)C2=O)cs1 ZINC001164824787 720369630 /nfs/dbraw/zinc/36/96/30/720369630.db2.gz LCOFUOLENJSQHB-UHFFFAOYSA-N 2 2 414.579 2.226 20 0 HEADLP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728706 720434895 /nfs/dbraw/zinc/43/48/95/720434895.db2.gz GCBYFJWLCGGWAT-PMACEKPBSA-N 2 2 420.565 2.320 20 0 HEADLP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728706 720434903 /nfs/dbraw/zinc/43/49/03/720434903.db2.gz GCBYFJWLCGGWAT-PMACEKPBSA-N 2 2 420.565 2.320 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737840 720707215 /nfs/dbraw/zinc/70/72/15/720707215.db2.gz HIRFFDCQKKBRDO-IAGOWNOFSA-N 2 2 407.474 2.384 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737840 720707220 /nfs/dbraw/zinc/70/72/20/720707220.db2.gz HIRFFDCQKKBRDO-IAGOWNOFSA-N 2 2 407.474 2.384 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752815 720808084 /nfs/dbraw/zinc/80/80/84/720808084.db2.gz ZYOYEQNZMNBPBB-YZGWKJHDSA-N 2 2 408.554 2.330 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752815 720808085 /nfs/dbraw/zinc/80/80/85/720808085.db2.gz ZYOYEQNZMNBPBB-YZGWKJHDSA-N 2 2 408.554 2.330 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879552 721177977 /nfs/dbraw/zinc/17/79/77/721177977.db2.gz TYXWDZQTWBKKRV-REWPJTCUSA-N 3 2 423.561 2.429 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879552 721177979 /nfs/dbraw/zinc/17/79/79/721177979.db2.gz TYXWDZQTWBKKRV-REWPJTCUSA-N 3 2 423.561 2.429 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCCC[C@@]34CC(=O)N(Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164891023 721475473 /nfs/dbraw/zinc/47/54/73/721475473.db2.gz ADSLPBBMBAZNIV-DEOSSOPVSA-N 2 2 420.561 2.390 20 0 HEADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165012001 721719722 /nfs/dbraw/zinc/71/97/22/721719722.db2.gz YCZOSRVNBUMXDV-UHFFFAOYSA-N 3 2 413.570 2.397 20 0 HEADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165012001 721719728 /nfs/dbraw/zinc/71/97/28/721719728.db2.gz YCZOSRVNBUMXDV-UHFFFAOYSA-N 3 2 413.570 2.397 20 0 HEADLP CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]12 ZINC001164985767 722097864 /nfs/dbraw/zinc/09/78/64/722097864.db2.gz WOBIOEDWPUQKGQ-QTEQDKRBSA-N 2 2 420.561 2.379 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCC(O)(c4cccnc4)CC3)CC2)CC1 ZINC000770386535 1078849285 /nfs/dbraw/zinc/84/92/85/1078849285.db2.gz ATCUKRIQMYFEBA-UHFFFAOYSA-N 2 2 415.582 2.070 20 0 HEADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472460 1079027297 /nfs/dbraw/zinc/02/72/97/1079027297.db2.gz PZVMHAGNLSCJNA-LAUBAEHRSA-N 2 2 418.557 2.339 20 0 HEADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472460 1079027300 /nfs/dbraw/zinc/02/73/00/1079027300.db2.gz PZVMHAGNLSCJNA-LAUBAEHRSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472460 1079027307 /nfs/dbraw/zinc/02/73/07/1079027307.db2.gz PZVMHAGNLSCJNA-LAUBAEHRSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472460 1079027315 /nfs/dbraw/zinc/02/73/15/1079027315.db2.gz PZVMHAGNLSCJNA-LAUBAEHRSA-N 2 2 418.557 2.339 20 0 HEADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472462 1079027375 /nfs/dbraw/zinc/02/73/75/1079027375.db2.gz PZVMHAGNLSCJNA-UWJYYQICSA-N 2 2 418.557 2.339 20 0 HEADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472462 1079027381 /nfs/dbraw/zinc/02/73/81/1079027381.db2.gz PZVMHAGNLSCJNA-UWJYYQICSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472462 1079027387 /nfs/dbraw/zinc/02/73/87/1079027387.db2.gz PZVMHAGNLSCJNA-UWJYYQICSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@@H](C)C1 ZINC000746472462 1079027393 /nfs/dbraw/zinc/02/73/93/1079027393.db2.gz PZVMHAGNLSCJNA-UWJYYQICSA-N 2 2 418.557 2.339 20 0 HEADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472461 1079027527 /nfs/dbraw/zinc/02/75/27/1079027527.db2.gz PZVMHAGNLSCJNA-UTKZUKDTSA-N 2 2 418.557 2.339 20 0 HEADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472461 1079027537 /nfs/dbraw/zinc/02/75/37/1079027537.db2.gz PZVMHAGNLSCJNA-UTKZUKDTSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472461 1079027545 /nfs/dbraw/zinc/02/75/45/1079027545.db2.gz PZVMHAGNLSCJNA-UTKZUKDTSA-N 2 2 418.557 2.339 20 0 HEADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)[C@H](C)C1 ZINC000746472461 1079027554 /nfs/dbraw/zinc/02/75/54/1079027554.db2.gz PZVMHAGNLSCJNA-UTKZUKDTSA-N 2 2 418.557 2.339 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128278 1079146643 /nfs/dbraw/zinc/14/66/43/1079146643.db2.gz CDPBXPJKKOONQZ-UIFYRBHJSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128278 1079146650 /nfs/dbraw/zinc/14/66/50/1079146650.db2.gz CDPBXPJKKOONQZ-UIFYRBHJSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169128278 1079146655 /nfs/dbraw/zinc/14/66/55/1079146655.db2.gz CDPBXPJKKOONQZ-UIFYRBHJSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169128278 1079146661 /nfs/dbraw/zinc/14/66/61/1079146661.db2.gz CDPBXPJKKOONQZ-UIFYRBHJSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392779 1079263885 /nfs/dbraw/zinc/26/38/85/1079263885.db2.gz QRUGOUYMEIXNDV-VBSBHUPXSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392779 1079263893 /nfs/dbraw/zinc/26/38/93/1079263893.db2.gz QRUGOUYMEIXNDV-VBSBHUPXSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392779 1079263900 /nfs/dbraw/zinc/26/39/00/1079263900.db2.gz QRUGOUYMEIXNDV-VBSBHUPXSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392779 1079263905 /nfs/dbraw/zinc/26/39/05/1079263905.db2.gz QRUGOUYMEIXNDV-VBSBHUPXSA-N 2 2 423.579 2.085 20 0 HEADLP COc1c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001169513775 1079318757 /nfs/dbraw/zinc/31/87/57/1079318757.db2.gz AWVZUVOZESURDS-SJLPKXTDSA-N 2 2 411.506 2.043 20 0 HEADLP C[NH+]1CCN(c2cc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ncn2)CC1 ZINC001169509862 1079317474 /nfs/dbraw/zinc/31/74/74/1079317474.db2.gz DJQOJOWYNFDQEU-VQTJNVASSA-N 2 2 424.549 2.100 20 0 HEADLP C[C@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738112285 1075966583 /nfs/dbraw/zinc/96/65/83/1075966583.db2.gz VMHGTHSHMHNVFY-JOCHJYFZSA-N 2 2 406.571 2.269 20 0 HEADLP C[C@@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738112287 1075966760 /nfs/dbraw/zinc/96/67/60/1075966760.db2.gz VMHGTHSHMHNVFY-QFIPXVFZSA-N 2 2 406.571 2.269 20 0 HEADLP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738147951 1075968891 /nfs/dbraw/zinc/96/88/91/1075968891.db2.gz HEWOHIXYDOOOMP-NFBKMPQASA-N 2 2 422.533 2.064 20 0 HEADLP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738147951 1075968896 /nfs/dbraw/zinc/96/88/96/1075968896.db2.gz HEWOHIXYDOOOMP-NFBKMPQASA-N 2 2 422.533 2.064 20 0 HEADLP C[NH+]1CCC(CNC(=O)c2cc(N3CCOC3=O)ccc2F)([NH+]2CCCCC2)CC1 ZINC000742010447 1076705615 /nfs/dbraw/zinc/70/56/15/1076705615.db2.gz LOFGAVNXQUKCOJ-UHFFFAOYSA-N 2 2 418.513 2.462 20 0 HEADLP CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742012447 1076707172 /nfs/dbraw/zinc/70/71/72/1076707172.db2.gz VDZFRDADHOKATH-UUVGHFPGSA-N 2 2 422.639 2.311 20 0 HEADLP C[NH+]1CCC(CNC(=O)Nc2ccn(Cc3ccccn3)n2)([NH+]2CCCCC2)CC1 ZINC000743166344 1076985144 /nfs/dbraw/zinc/98/51/44/1076985144.db2.gz MPQJIKMPVRAFEM-UHFFFAOYSA-N 2 2 411.554 2.398 20 0 HEADLP C[C@H]1C(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1c1ccccc1 ZINC000744441945 1077395962 /nfs/dbraw/zinc/39/59/62/1077395962.db2.gz UMRXEFXDAFSZEP-SFHVURJKSA-N 2 2 400.523 2.378 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931688 1079510603 /nfs/dbraw/zinc/51/06/03/1079510603.db2.gz MDIZXBRABNHMJF-BAGYTPMASA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931688 1079510609 /nfs/dbraw/zinc/51/06/09/1079510609.db2.gz MDIZXBRABNHMJF-BAGYTPMASA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931688 1079510618 /nfs/dbraw/zinc/51/06/18/1079510618.db2.gz MDIZXBRABNHMJF-BAGYTPMASA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931688 1079510628 /nfs/dbraw/zinc/51/06/28/1079510628.db2.gz MDIZXBRABNHMJF-BAGYTPMASA-N 2 2 400.567 2.403 20 0 HEADLP CN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786142801 1080417784 /nfs/dbraw/zinc/41/77/84/1080417784.db2.gz CTXFUEDHYYFVAU-KXBFYZLASA-N 2 2 406.477 2.085 20 0 HEADLP CN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786142801 1080417788 /nfs/dbraw/zinc/41/77/88/1080417788.db2.gz CTXFUEDHYYFVAU-KXBFYZLASA-N 2 2 406.477 2.085 20 0 HEADLP C[NH+](C)[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768784241 1080796489 /nfs/dbraw/zinc/79/64/89/1080796489.db2.gz JLJFDSSRISDIHD-KRWDZBQOSA-N 2 2 418.529 2.495 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1C ZINC000769086361 1080934106 /nfs/dbraw/zinc/93/41/06/1080934106.db2.gz LPSUWTGBHPDNFQ-FPOVZHCZSA-N 2 2 412.534 2.389 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1C ZINC000769086361 1080934118 /nfs/dbraw/zinc/93/41/18/1080934118.db2.gz LPSUWTGBHPDNFQ-FPOVZHCZSA-N 2 2 412.534 2.389 20 0 HEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819057 720187492 /nfs/dbraw/zinc/18/74/92/720187492.db2.gz VUVSNOBQPCEBHD-RXVVDRJESA-N 2 2 403.596 2.215 20 0 HEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819057 720187499 /nfs/dbraw/zinc/18/74/99/720187499.db2.gz VUVSNOBQPCEBHD-RXVVDRJESA-N 2 2 403.596 2.215 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829649 720316613 /nfs/dbraw/zinc/31/66/13/720316613.db2.gz MYUQTMHIEJQFAT-MOPGFXCFSA-N 2 2 414.550 2.397 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164737841 720708554 /nfs/dbraw/zinc/70/85/54/720708554.db2.gz HIRFFDCQKKBRDO-IRXDYDNUSA-N 2 2 407.474 2.384 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164737841 720708559 /nfs/dbraw/zinc/70/85/59/720708559.db2.gz HIRFFDCQKKBRDO-IRXDYDNUSA-N 2 2 407.474 2.384 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)[nH+]2)CC1 ZINC001164877819 721313623 /nfs/dbraw/zinc/31/36/23/721313623.db2.gz JUCWKCBEPJWVRD-SLFFLAALSA-N 2 2 409.534 2.291 20 0 HEADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165008336 721711534 /nfs/dbraw/zinc/71/15/34/721711534.db2.gz FFSBKWXIMKEILA-UHFFFAOYSA-N 2 2 413.570 2.398 20 0 HEADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165008336 721711535 /nfs/dbraw/zinc/71/15/35/721711535.db2.gz FFSBKWXIMKEILA-UHFFFAOYSA-N 2 2 413.570 2.398 20 0 HEADLP CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001164985768 722097815 /nfs/dbraw/zinc/09/78/15/722097815.db2.gz WOBIOEDWPUQKGQ-TXTKFYIRSA-N 2 2 420.561 2.379 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)([NH+]2CCCCC2)CC1 ZINC000745879174 1078681697 /nfs/dbraw/zinc/68/16/97/1078681697.db2.gz YKLRPUOSIOQMBM-UHFFFAOYSA-N 2 2 423.602 2.199 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)([NH+]2CCCCC2)CC1 ZINC000745878350 1078681884 /nfs/dbraw/zinc/68/18/84/1078681884.db2.gz MWIGCVRUNCVLIJ-HXUWFJFHSA-N 2 2 419.614 2.123 20 0 HEADLP COC(=O)C1(C)CCC([N@@H+]2CCn3c(CN4CC[NH+](C)CC4)cnc3[C@H]2C)CC1 ZINC001168788971 1078979946 /nfs/dbraw/zinc/97/99/46/1078979946.db2.gz GZLNTLVSWWGBAJ-PDDLGQBUSA-N 2 2 403.571 2.129 20 0 HEADLP COC(=O)C1(C)CCC([N@H+]2CCn3c(CN4CC[NH+](C)CC4)cnc3[C@H]2C)CC1 ZINC001168788971 1078979957 /nfs/dbraw/zinc/97/99/57/1078979957.db2.gz GZLNTLVSWWGBAJ-PDDLGQBUSA-N 2 2 403.571 2.129 20 0 HEADLP CCOC(=O)c1cc2cc(Br)cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2o1 ZINC001169073857 1079125451 /nfs/dbraw/zinc/12/54/51/1079125451.db2.gz FMKHREAQUZQQIC-GFCCVEGCSA-N 2 2 408.252 2.420 20 0 HEADLP C[NH+]1CCN(c2ncc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cn2)CC1 ZINC001169517547 1079328265 /nfs/dbraw/zinc/32/82/65/1079328265.db2.gz GNNZLSGGJSWKAN-PZJWPPBQSA-N 2 2 424.549 2.100 20 0 HEADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757493 1079487195 /nfs/dbraw/zinc/48/71/95/1079487195.db2.gz UILVWKUQYUEFLH-MOPGFXCFSA-N 2 2 404.555 2.395 20 0 HEADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757493 1079487200 /nfs/dbraw/zinc/48/72/00/1079487200.db2.gz UILVWKUQYUEFLH-MOPGFXCFSA-N 2 2 404.555 2.395 20 0 HEADLP O=C1NC2(CCCCCCC2)C(=O)N1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738110285 1075965569 /nfs/dbraw/zinc/96/55/69/1075965569.db2.gz FFXRASGNEGNMBQ-UHFFFAOYSA-N 2 2 406.571 2.413 20 0 HEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000738207778 1075973405 /nfs/dbraw/zinc/97/34/05/1075973405.db2.gz FXTBOOSABCXPOS-FQEVSTJZSA-N 2 2 408.930 2.107 20 0 HEADLP C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779533 1079500300 /nfs/dbraw/zinc/50/03/00/1079500300.db2.gz UWAIIFBGHNVEME-SJLPKXTDSA-N 2 2 411.591 2.100 20 0 HEADLP C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779533 1079500303 /nfs/dbraw/zinc/50/03/03/1079500303.db2.gz UWAIIFBGHNVEME-SJLPKXTDSA-N 2 2 411.591 2.100 20 0 HEADLP Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000739068446 1076036548 /nfs/dbraw/zinc/03/65/48/1076036548.db2.gz PFBCQAIQNNROPZ-IBGZPJMESA-N 2 2 415.538 2.302 20 0 HEADLP CN(C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739726937 1076078790 /nfs/dbraw/zinc/07/87/90/1076078790.db2.gz HDOQLZMNDIWPAI-IPMKNSEASA-N 2 2 408.587 2.307 20 0 HEADLP CN(C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739726937 1076078798 /nfs/dbraw/zinc/07/87/98/1076078798.db2.gz HDOQLZMNDIWPAI-IPMKNSEASA-N 2 2 408.587 2.307 20 0 HEADLP CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739726935 1076079001 /nfs/dbraw/zinc/07/90/01/1076079001.db2.gz HDOQLZMNDIWPAI-GBESFXJTSA-N 2 2 408.587 2.307 20 0 HEADLP CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739726935 1076079005 /nfs/dbraw/zinc/07/90/05/1076079005.db2.gz HDOQLZMNDIWPAI-GBESFXJTSA-N 2 2 408.587 2.307 20 0 HEADLP O=C1CCCCN1[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000740877174 1076278416 /nfs/dbraw/zinc/27/84/16/1076278416.db2.gz DZWLYYIEFRUXKD-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCCN1[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000740877174 1076278425 /nfs/dbraw/zinc/27/84/25/1076278425.db2.gz DZWLYYIEFRUXKD-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCCN1[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000740877174 1076278428 /nfs/dbraw/zinc/27/84/28/1076278428.db2.gz DZWLYYIEFRUXKD-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCCN1[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000740877174 1076278434 /nfs/dbraw/zinc/27/84/34/1076278434.db2.gz DZWLYYIEFRUXKD-OYRHEFFESA-N 2 2 404.599 2.330 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000741016244 1076337071 /nfs/dbraw/zinc/33/70/71/1076337071.db2.gz HQZFVLBFMZECQR-ZCNNSNEGSA-N 2 2 401.551 2.444 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000741016244 1076337077 /nfs/dbraw/zinc/33/70/77/1076337077.db2.gz HQZFVLBFMZECQR-ZCNNSNEGSA-N 2 2 401.551 2.444 20 0 HEADLP C[NH+](C)Cc1cccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000741282364 1076454571 /nfs/dbraw/zinc/45/45/71/1076454571.db2.gz OENKVBOWMOFBEF-UHFFFAOYSA-N 2 2 404.555 2.421 20 0 HEADLP CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689741 1076588119 /nfs/dbraw/zinc/58/81/19/1076588119.db2.gz FSCDOOPWHOWIQE-SIKLNZKXSA-N 2 2 412.578 2.448 20 0 HEADLP CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689741 1076588124 /nfs/dbraw/zinc/58/81/24/1076588124.db2.gz FSCDOOPWHOWIQE-SIKLNZKXSA-N 2 2 412.578 2.448 20 0 HEADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)([NH+]2CCCCC2)CC1 ZINC000742010114 1076706133 /nfs/dbraw/zinc/70/61/33/1076706133.db2.gz BAOHWWBOVIEWBA-FQEVSTJZSA-N 2 2 402.514 2.385 20 0 HEADLP COCC(=O)Nc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000743089747 1076950374 /nfs/dbraw/zinc/95/03/74/1076950374.db2.gz KTQQZORPUFBXOM-UHFFFAOYSA-N 2 2 417.554 2.343 20 0 HEADLP C[C@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000743179207 1076992329 /nfs/dbraw/zinc/99/23/29/1076992329.db2.gz DBVVQFQTSRWMNY-SFHVURJKSA-N 2 2 403.571 2.401 20 0 HEADLP C[C@H]1CN(c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000743179207 1076992341 /nfs/dbraw/zinc/99/23/41/1076992341.db2.gz DBVVQFQTSRWMNY-SFHVURJKSA-N 2 2 403.571 2.401 20 0 HEADLP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000743401899 1077043508 /nfs/dbraw/zinc/04/35/08/1077043508.db2.gz LXPXZGVQGWWUSG-UHFFFAOYSA-N 2 2 407.474 2.068 20 0 HEADLP CN(C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625619 1077082221 /nfs/dbraw/zinc/08/22/21/1077082221.db2.gz FBYFKTVSMPYZQI-HKUYNNGSSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625619 1077082228 /nfs/dbraw/zinc/08/22/28/1077082228.db2.gz FBYFKTVSMPYZQI-HKUYNNGSSA-N 2 2 423.602 2.196 20 0 HEADLP C[C@@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440864 1077395714 /nfs/dbraw/zinc/39/57/14/1077395714.db2.gz IGAKZFQTCITUAG-QFIPXVFZSA-N 2 2 418.513 2.127 20 0 HEADLP C[N@H+](CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCSC1 ZINC000767117324 1079684813 /nfs/dbraw/zinc/68/48/13/1079684813.db2.gz QVQHHOUXFNMWJX-SFHVURJKSA-N 2 2 423.604 2.154 20 0 HEADLP C[N@@H+](CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCSC1 ZINC000767117324 1079684828 /nfs/dbraw/zinc/68/48/28/1079684828.db2.gz QVQHHOUXFNMWJX-SFHVURJKSA-N 2 2 423.604 2.154 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)cc2)CC1 ZINC000785910386 1080307036 /nfs/dbraw/zinc/30/70/36/1080307036.db2.gz FTUDYGBTHQLRSX-UHFFFAOYSA-N 2 2 424.549 2.100 20 0 HEADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112271 1080405016 /nfs/dbraw/zinc/40/50/16/1080405016.db2.gz GZCMXTAKYZBXBH-IBGZPJMESA-N 2 2 416.566 2.177 20 0 HEADLP CN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786142795 1080418031 /nfs/dbraw/zinc/41/80/31/1080418031.db2.gz CTXFUEDHYYFVAU-BEFAXECRSA-N 2 2 406.477 2.085 20 0 HEADLP CN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786142795 1080418039 /nfs/dbraw/zinc/41/80/39/1080418039.db2.gz CTXFUEDHYYFVAU-BEFAXECRSA-N 2 2 406.477 2.085 20 0 HEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170056314 1080550246 /nfs/dbraw/zinc/55/02/46/1080550246.db2.gz QMNNROVIOABHMD-IRXDYDNUSA-N 2 2 423.583 2.116 20 0 HEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170056314 1080550250 /nfs/dbraw/zinc/55/02/50/1080550250.db2.gz QMNNROVIOABHMD-IRXDYDNUSA-N 2 2 423.583 2.116 20 0 HEADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147513 1080961551 /nfs/dbraw/zinc/96/15/51/1080961551.db2.gz OYFMHQKGQHMNOZ-KURKYZTESA-N 2 2 410.603 2.458 20 0 HEADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170001062 1080990063 /nfs/dbraw/zinc/99/00/63/1080990063.db2.gz HTALIATZBGPDHI-KRWDZBQOSA-N 2 2 404.603 2.418 20 0 HEADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170001062 1080990091 /nfs/dbraw/zinc/99/00/91/1080990091.db2.gz HTALIATZBGPDHI-KRWDZBQOSA-N 2 2 404.603 2.418 20 0 HEADLP C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427277 1081070609 /nfs/dbraw/zinc/07/06/09/1081070609.db2.gz XECKNDPMZNNIQG-MJGOQNOKSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427277 1081070617 /nfs/dbraw/zinc/07/06/17/1081070617.db2.gz XECKNDPMZNNIQG-MJGOQNOKSA-N 2 2 418.586 2.354 20 0 HEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819059 720187469 /nfs/dbraw/zinc/18/74/69/720187469.db2.gz VUVSNOBQPCEBHD-WIYYLYMNSA-N 2 2 403.596 2.215 20 0 HEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819059 720187475 /nfs/dbraw/zinc/18/74/75/720187475.db2.gz VUVSNOBQPCEBHD-WIYYLYMNSA-N 2 2 403.596 2.215 20 0 HEADLP COc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]c2ccccc21 ZINC001164873475 721280694 /nfs/dbraw/zinc/28/06/94/721280694.db2.gz MVUNPBHGCUPGGH-UHFFFAOYSA-N 2 2 412.534 2.250 20 0 HEADLP COc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]c2ccccc21 ZINC001164873475 721280699 /nfs/dbraw/zinc/28/06/99/721280699.db2.gz MVUNPBHGCUPGGH-UHFFFAOYSA-N 2 2 412.534 2.250 20 0 HEADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890330 721450425 /nfs/dbraw/zinc/45/04/25/721450425.db2.gz QWJZDPOKSGLASP-VWNXMTODSA-N 2 2 413.610 2.443 20 0 HEADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164923394 721860444 /nfs/dbraw/zinc/86/04/44/721860444.db2.gz AGTPSQOZZCOLHT-PKTZIBPZSA-N 2 2 406.578 2.250 20 0 HEADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164923394 721860446 /nfs/dbraw/zinc/86/04/46/721860446.db2.gz AGTPSQOZZCOLHT-PKTZIBPZSA-N 2 2 406.578 2.250 20 0 HEADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)C2)cc1 ZINC001164940601 721928233 /nfs/dbraw/zinc/92/82/33/721928233.db2.gz UQJILHKBAWAHFV-UHFFFAOYSA-N 2 2 423.561 2.493 20 0 HEADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)C2)cc1 ZINC001164940601 721928236 /nfs/dbraw/zinc/92/82/36/721928236.db2.gz UQJILHKBAWAHFV-UHFFFAOYSA-N 2 2 423.561 2.493 20 0 HEADLP CCOC(=O)c1c(C)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]c1C ZINC001164997899 722235015 /nfs/dbraw/zinc/23/50/15/722235015.db2.gz YKGNSWSFCUEDMU-UHFFFAOYSA-N 2 2 424.549 2.022 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000109 722253418 /nfs/dbraw/zinc/25/34/18/722253418.db2.gz LBYPARVUHZROCO-UHFFFAOYSA-N 2 2 401.511 2.170 20 0 HEADLP CC(C)C[C@@H](Cc1ccccc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001169070949 1079123756 /nfs/dbraw/zinc/12/37/56/1079123756.db2.gz VTYDBDLUCUPFOE-JBACZVJFSA-N 2 2 411.550 2.059 20 0 HEADLP CCOC(=O)c1cc2cc(Br)c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2[nH]1 ZINC001169073814 1079125367 /nfs/dbraw/zinc/12/53/67/1079125367.db2.gz DNQVCGZTNNFRTH-LLVKDONJSA-N 2 2 407.268 2.155 20 0 HEADLP NC(=O)C[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC001169125669 1079145652 /nfs/dbraw/zinc/14/56/52/1079145652.db2.gz SYAFAAAMHQJMGX-FQEVSTJZSA-N 2 2 408.974 2.112 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616186 1079181798 /nfs/dbraw/zinc/18/17/98/1079181798.db2.gz OJLQAINKKSFDOB-RTWAWAEBSA-N 2 2 419.614 2.416 20 0 HEADLP CC(C)CN1N=C(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1=O ZINC000766616186 1079181808 /nfs/dbraw/zinc/18/18/08/1079181808.db2.gz OJLQAINKKSFDOB-RTWAWAEBSA-N 2 2 419.614 2.416 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394647 1079320399 /nfs/dbraw/zinc/32/03/99/1079320399.db2.gz YRUROTZVPBNREJ-DFQSSKMNSA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394647 1079320407 /nfs/dbraw/zinc/32/04/07/1079320407.db2.gz YRUROTZVPBNREJ-DFQSSKMNSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC[C@H]1COC2(CCCCCC2)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776818 1079498534 /nfs/dbraw/zinc/49/85/34/1079498534.db2.gz GQVWCTDSOAFYGY-PMACEKPBSA-N 2 2 408.587 2.262 20 0 HEADLP CN(C(=O)NC[C@H]1COC2(CCCCCC2)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776818 1079498542 /nfs/dbraw/zinc/49/85/42/1079498542.db2.gz GQVWCTDSOAFYGY-PMACEKPBSA-N 2 2 408.587 2.262 20 0 HEADLP CN(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776826 1079498678 /nfs/dbraw/zinc/49/86/78/1079498678.db2.gz GQVWCTDSOAFYGY-VQTJNVASSA-N 2 2 408.587 2.262 20 0 HEADLP CN(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776826 1079498688 /nfs/dbraw/zinc/49/86/88/1079498688.db2.gz GQVWCTDSOAFYGY-VQTJNVASSA-N 2 2 408.587 2.262 20 0 HEADLP CN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779936 1079501838 /nfs/dbraw/zinc/50/18/38/1079501838.db2.gz ZHMGAUDJJNEBPJ-GOSISDBHSA-N 2 2 423.602 2.244 20 0 HEADLP CN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779936 1079501847 /nfs/dbraw/zinc/50/18/47/1079501847.db2.gz ZHMGAUDJJNEBPJ-GOSISDBHSA-N 2 2 423.602 2.244 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC000741011003 1076328244 /nfs/dbraw/zinc/32/82/44/1076328244.db2.gz LNTAOEBLOQNFRO-JOCHJYFZSA-N 2 2 401.551 2.303 20 0 HEADLP CC(C)[C@@H](C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCCC1 ZINC000741012823 1076328362 /nfs/dbraw/zinc/32/83/62/1076328362.db2.gz UUKYAPJQFPIKIZ-FQEVSTJZSA-N 2 2 407.580 2.446 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000741014720 1076329260 /nfs/dbraw/zinc/32/92/60/1076329260.db2.gz PVKMGQSXZFNXCY-QFIPXVFZSA-N 2 2 401.551 2.303 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000741024676 1076340726 /nfs/dbraw/zinc/34/07/26/1076340726.db2.gz YKPYEFZUDXAGSS-ZCNNSNEGSA-N 2 2 401.551 2.444 20 0 HEADLP Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000741024676 1076340731 /nfs/dbraw/zinc/34/07/31/1076340731.db2.gz YKPYEFZUDXAGSS-ZCNNSNEGSA-N 2 2 401.551 2.444 20 0 HEADLP CCOC(=O)C1=C(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@H]1C ZINC000743874695 1077158208 /nfs/dbraw/zinc/15/82/08/1077158208.db2.gz ZQHLHROLPIIXNV-INIZCTEOSA-N 2 2 415.538 2.138 20 0 HEADLP CCOC(=O)C1=C(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@H]1C ZINC000743874695 1077158224 /nfs/dbraw/zinc/15/82/24/1077158224.db2.gz ZQHLHROLPIIXNV-INIZCTEOSA-N 2 2 415.538 2.138 20 0 HEADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000745084034 1077723707 /nfs/dbraw/zinc/72/37/07/1077723707.db2.gz QTMGRVQUSBHFHZ-OAQYLSRUSA-N 2 2 401.551 2.493 20 0 HEADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000745084034 1077723714 /nfs/dbraw/zinc/72/37/14/1077723714.db2.gz QTMGRVQUSBHFHZ-OAQYLSRUSA-N 2 2 401.551 2.493 20 0 HEADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745317795 1077806864 /nfs/dbraw/zinc/80/68/64/1077806864.db2.gz XALJIKZTQHZZGN-JOCHJYFZSA-N 2 2 417.598 2.377 20 0 HEADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745317795 1077806867 /nfs/dbraw/zinc/80/68/67/1077806867.db2.gz XALJIKZTQHZZGN-JOCHJYFZSA-N 2 2 417.598 2.377 20 0 HEADLP CN(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771762590 1079518032 /nfs/dbraw/zinc/51/80/32/1079518032.db2.gz OFYXDGPBFCSKMB-IBGZPJMESA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771762590 1079518043 /nfs/dbraw/zinc/51/80/43/1079518043.db2.gz OFYXDGPBFCSKMB-IBGZPJMESA-N 2 2 423.602 2.196 20 0 HEADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000785580481 1080059078 /nfs/dbraw/zinc/05/90/78/1080059078.db2.gz NBTNSBCTBFNWLR-NRFANRHFSA-N 2 2 423.561 2.428 20 0 HEADLP COc1cccc([C@H]2CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001169977199 1080213144 /nfs/dbraw/zinc/21/31/44/1080213144.db2.gz ZPVWMDVXDSWXFO-RTBURBONSA-N 2 2 420.554 2.013 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000768105817 1080341174 /nfs/dbraw/zinc/34/11/74/1080341174.db2.gz VDNGBBXERBAJPO-KRWDZBQOSA-N 2 2 417.554 2.005 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000768105817 1080341179 /nfs/dbraw/zinc/34/11/79/1080341179.db2.gz VDNGBBXERBAJPO-KRWDZBQOSA-N 2 2 417.554 2.005 20 0 HEADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786795132 1080825723 /nfs/dbraw/zinc/82/57/23/1080825723.db2.gz YTNAHLSBNSYUMN-GOSISDBHSA-N 2 2 421.545 2.455 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000769085495 1080933534 /nfs/dbraw/zinc/93/35/34/1080933534.db2.gz IFZGHCDLXMTYFD-UHFFFAOYSA-N 2 2 411.591 2.148 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000769086364 1080934388 /nfs/dbraw/zinc/93/43/88/1080934388.db2.gz LPSUWTGBHPDNFQ-TZIWHRDSSA-N 2 2 412.534 2.389 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000769086364 1080934403 /nfs/dbraw/zinc/93/44/03/1080934403.db2.gz LPSUWTGBHPDNFQ-TZIWHRDSSA-N 2 2 412.534 2.389 20 0 HEADLP C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427275 1081070464 /nfs/dbraw/zinc/07/04/64/1081070464.db2.gz XECKNDPMZNNIQG-HKUYNNGSSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427275 1081070472 /nfs/dbraw/zinc/07/04/72/1081070472.db2.gz XECKNDPMZNNIQG-HKUYNNGSSA-N 2 2 418.586 2.354 20 0 HEADLP CCOC(=O)C1CC[NH+](C2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)CC1 ZINC001164617356 719028661 /nfs/dbraw/zinc/02/86/61/719028661.db2.gz KKCAXHYAAIIORR-UHFFFAOYSA-N 3 2 415.582 2.077 20 0 HEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164632977 719136225 /nfs/dbraw/zinc/13/62/25/719136225.db2.gz QSGGULKWIUZMDB-HNNXBMFYSA-N 2 2 415.563 2.117 20 0 HEADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)nc[nH+]3)CC2)c2ccccc21 ZINC001164683140 719676447 /nfs/dbraw/zinc/67/64/47/719676447.db2.gz RAGQOYNAOOGJRG-KRWDZBQOSA-N 2 2 408.550 2.152 20 0 HEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747862 720837386 /nfs/dbraw/zinc/83/73/86/720837386.db2.gz RXGBJPFKVGVQNG-NJDAHSKKSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164747862 720837390 /nfs/dbraw/zinc/83/73/90/720837390.db2.gz RXGBJPFKVGVQNG-NJDAHSKKSA-N 2 2 422.581 2.438 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165026011 721828974 /nfs/dbraw/zinc/82/89/74/721828974.db2.gz OBPZSVLDRHAVFB-IHPCNDPISA-N 2 2 404.522 2.498 20 0 HEADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165026011 721828976 /nfs/dbraw/zinc/82/89/76/721828976.db2.gz OBPZSVLDRHAVFB-IHPCNDPISA-N 2 2 404.522 2.498 20 0 HEADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2)cc1 ZINC001164938521 721921693 /nfs/dbraw/zinc/92/16/93/721921693.db2.gz PGUAFCAHIVCGLX-UHFFFAOYSA-N 2 2 423.561 2.493 20 0 HEADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2)cc1 ZINC001164938521 721921695 /nfs/dbraw/zinc/92/16/95/721921695.db2.gz PGUAFCAHIVCGLX-UHFFFAOYSA-N 2 2 423.561 2.493 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCc4onc(C(=O)Nc5cccnc5)c4C3)[nH+]2)CC1 ZINC001165001195 722247791 /nfs/dbraw/zinc/24/77/91/722247791.db2.gz OBJVYYDSLIQDDI-UHFFFAOYSA-N 2 2 419.489 2.031 20 0 HEADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383757 1078834922 /nfs/dbraw/zinc/83/49/22/1078834922.db2.gz WPZWJHSQQQRSEU-WMZOPIPTSA-N 2 2 404.559 2.106 20 0 HEADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383757 1078834926 /nfs/dbraw/zinc/83/49/26/1078834926.db2.gz WPZWJHSQQQRSEU-WMZOPIPTSA-N 2 2 404.559 2.106 20 0 HEADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CCOCC4)C3)CC2=O)cc1 ZINC001168916363 1079075114 /nfs/dbraw/zinc/07/51/14/1079075114.db2.gz RSHGEZDUORKEHR-LEWJYISDSA-N 2 2 401.551 2.277 20 0 HEADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CCOCC4)C3)CC2=O)cc1 ZINC001168916363 1079075120 /nfs/dbraw/zinc/07/51/20/1079075120.db2.gz RSHGEZDUORKEHR-LEWJYISDSA-N 2 2 401.551 2.277 20 0 HEADLP COc1ccc(Cc2c(Cl)nc(SC)nc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169071847 1079124224 /nfs/dbraw/zinc/12/42/24/1079124224.db2.gz NHSHSGTYNHLERH-CYBMUJFWSA-N 2 2 419.938 2.499 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325919 1079287769 /nfs/dbraw/zinc/28/77/69/1079287769.db2.gz XHWMUZCDFOYYJZ-FQEVSTJZSA-N 2 2 418.557 2.073 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325919 1079287776 /nfs/dbraw/zinc/28/77/76/1079287776.db2.gz XHWMUZCDFOYYJZ-FQEVSTJZSA-N 2 2 418.557 2.073 20 0 HEADLP CCC[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[N@@H+]1CCOC ZINC000766771889 1079354246 /nfs/dbraw/zinc/35/42/46/1079354246.db2.gz LLCKSXFIGYHGPL-LJQANCHMSA-N 2 2 400.527 2.218 20 0 HEADLP CCC[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[N@H+]1CCOC ZINC000766771889 1079354255 /nfs/dbraw/zinc/35/42/55/1079354255.db2.gz LLCKSXFIGYHGPL-LJQANCHMSA-N 2 2 400.527 2.218 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709567 1076074654 /nfs/dbraw/zinc/07/46/54/1076074654.db2.gz WECQUAIEHUPDDV-MOPGFXCFSA-N 2 2 408.587 2.355 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917881 1076305119 /nfs/dbraw/zinc/30/51/19/1076305119.db2.gz SLPBNXQIPMJCEI-SUMWQHHRSA-N 2 2 415.365 2.495 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000740917881 1076305122 /nfs/dbraw/zinc/30/51/22/1076305122.db2.gz SLPBNXQIPMJCEI-SUMWQHHRSA-N 2 2 415.365 2.495 20 0 HEADLP C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742135983 1076751429 /nfs/dbraw/zinc/75/14/29/1076751429.db2.gz SIFVXTCMNRMTST-IBGZPJMESA-N 2 2 416.566 2.368 20 0 HEADLP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000743589302 1077073439 /nfs/dbraw/zinc/07/34/39/1077073439.db2.gz HYWZOJUCDKPYOR-KRWDZBQOSA-N 2 2 423.602 2.196 20 0 HEADLP C[C@@H](CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000744868673 1077629296 /nfs/dbraw/zinc/62/92/96/1077629296.db2.gz GSDRBJHZZZTDDW-IBGZPJMESA-N 2 2 404.555 2.071 20 0 HEADLP CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771773125 1079526401 /nfs/dbraw/zinc/52/64/01/1079526401.db2.gz XAHSXPPMKABXNF-RBUKOAKNSA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771773125 1079526407 /nfs/dbraw/zinc/52/64/07/1079526407.db2.gz XAHSXPPMKABXNF-RBUKOAKNSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771988319 1079632123 /nfs/dbraw/zinc/63/21/23/1079632123.db2.gz WAOYRAYZYTYETA-FGTMMUONSA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771988319 1079632141 /nfs/dbraw/zinc/63/21/41/1079632141.db2.gz WAOYRAYZYTYETA-FGTMMUONSA-N 2 2 423.602 2.242 20 0 HEADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)[N-]OCc1ccccc1 ZINC000772203446 1079763027 /nfs/dbraw/zinc/76/30/27/1079763027.db2.gz JMRZODWSSIUHGH-UHFFFAOYSA-N 2 2 402.583 2.363 20 0 HEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)[N-]OCc1ccccc1 ZINC000772203446 1079763041 /nfs/dbraw/zinc/76/30/41/1079763041.db2.gz JMRZODWSSIUHGH-UHFFFAOYSA-N 2 2 402.583 2.363 20 0 HEADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499408 1080594375 /nfs/dbraw/zinc/59/43/75/1080594375.db2.gz ZPLUKWCRKMQDJD-GOSISDBHSA-N 2 2 405.543 2.421 20 0 HEADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499408 1080594385 /nfs/dbraw/zinc/59/43/85/1080594385.db2.gz ZPLUKWCRKMQDJD-GOSISDBHSA-N 2 2 405.543 2.421 20 0 HEADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001169997520 1080840836 /nfs/dbraw/zinc/84/08/36/1080840836.db2.gz ASPJCIJPQZTKHV-OAQYLSRUSA-N 2 2 401.551 2.373 20 0 HEADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001169997520 1080840840 /nfs/dbraw/zinc/84/08/40/1080840840.db2.gz ASPJCIJPQZTKHV-OAQYLSRUSA-N 2 2 401.551 2.373 20 0 HEADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786818356 1080842536 /nfs/dbraw/zinc/84/25/36/1080842536.db2.gz TVFRSKNSUDQMNF-GOSISDBHSA-N 2 2 422.533 2.001 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000787143126 1081027337 /nfs/dbraw/zinc/02/73/37/1081027337.db2.gz DPRRZGDQEIGDJB-UHFFFAOYSA-N 2 2 424.545 2.412 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000769313396 1081039645 /nfs/dbraw/zinc/03/96/45/1081039645.db2.gz NJXRBHVBTTVMMX-QGZVFWFLSA-N 2 2 418.586 2.354 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)[nH+]2)CC1 ZINC001164694039 719836387 /nfs/dbraw/zinc/83/63/87/719836387.db2.gz CZGOTSIIVVCJQK-UHFFFAOYSA-N 2 2 421.545 2.236 20 0 HEADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728709 720433404 /nfs/dbraw/zinc/43/34/04/720433404.db2.gz GCBYFJWLCGGWAT-VQTJNVASSA-N 2 2 420.565 2.320 20 0 HEADLP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728709 720433406 /nfs/dbraw/zinc/43/34/06/720433406.db2.gz GCBYFJWLCGGWAT-VQTJNVASSA-N 2 2 420.565 2.320 20 0 HEADLP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728708 720434331 /nfs/dbraw/zinc/43/43/31/720434331.db2.gz GCBYFJWLCGGWAT-UXHICEINSA-N 2 2 420.565 2.320 20 0 HEADLP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728708 720434340 /nfs/dbraw/zinc/43/43/40/720434340.db2.gz GCBYFJWLCGGWAT-UXHICEINSA-N 2 2 420.565 2.320 20 0 HEADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728712 720434449 /nfs/dbraw/zinc/43/44/49/720434449.db2.gz GCBYFJWLCGGWAT-WOJBJXKFSA-N 2 2 420.565 2.320 20 0 HEADLP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC001164728712 720434451 /nfs/dbraw/zinc/43/44/51/720434451.db2.gz GCBYFJWLCGGWAT-WOJBJXKFSA-N 2 2 420.565 2.320 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737843 720707803 /nfs/dbraw/zinc/70/78/03/720707803.db2.gz HIRFFDCQKKBRDO-SJORKVTESA-N 2 2 407.474 2.384 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737843 720707808 /nfs/dbraw/zinc/70/78/08/720707808.db2.gz HIRFFDCQKKBRDO-SJORKVTESA-N 2 2 407.474 2.384 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@@H]2CCCO[C@@H]12 ZINC001164800388 721569392 /nfs/dbraw/zinc/56/93/92/721569392.db2.gz FIOPSKUUKUCOTM-TXTKFYIRSA-N 2 2 409.534 2.181 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@@H]2CCCO[C@@H]12 ZINC001164800388 721569395 /nfs/dbraw/zinc/56/93/95/721569395.db2.gz FIOPSKUUKUCOTM-TXTKFYIRSA-N 2 2 409.534 2.181 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164800386 721569727 /nfs/dbraw/zinc/56/97/27/721569727.db2.gz FIOPSKUUKUCOTM-MZKRTTBSSA-N 2 2 409.534 2.181 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164800386 721569731 /nfs/dbraw/zinc/56/97/31/721569731.db2.gz FIOPSKUUKUCOTM-MZKRTTBSSA-N 2 2 409.534 2.181 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCc4onc(COc5ccccn5)c4C3)[nH+]2)CC1 ZINC001164970022 722083046 /nfs/dbraw/zinc/08/30/46/722083046.db2.gz SZIVVOZJBOEZHZ-UHFFFAOYSA-N 2 2 406.490 2.358 20 0 HEADLP CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001164985771 722097826 /nfs/dbraw/zinc/09/78/26/722097826.db2.gz WOBIOEDWPUQKGQ-ZRCGQRJVSA-N 2 2 420.561 2.379 20 0 HEADLP CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]12 ZINC001164985769 722097877 /nfs/dbraw/zinc/09/78/77/722097877.db2.gz WOBIOEDWPUQKGQ-VIZSFHNOSA-N 2 2 420.561 2.379 20 0 HEADLP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)CC1 ZINC001165001938 722239546 /nfs/dbraw/zinc/23/95/46/722239546.db2.gz PHFFWYFPWIJLHX-UHFFFAOYSA-N 2 2 403.534 2.199 20 0 HEADLP CC(C)COC(=O)N1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000745879407 1078682447 /nfs/dbraw/zinc/68/24/47/1078682447.db2.gz RWAWWHWURVOIIW-UHFFFAOYSA-N 2 2 423.602 2.057 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@]2(O)CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000745878920 1078682696 /nfs/dbraw/zinc/68/26/96/1078682696.db2.gz UWEJYXZDOVXUJJ-XMMPIXPASA-N 2 2 414.594 2.460 20 0 HEADLP COc1cc2nc(-c3ccccc3)nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2cc1OC ZINC001169072716 1079124918 /nfs/dbraw/zinc/12/49/18/1079124918.db2.gz TYDYWODLTMJISH-OAHLLOKOSA-N 2 2 405.458 2.362 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128287 1079147083 /nfs/dbraw/zinc/14/70/83/1079147083.db2.gz CFTLOQXMBYZKCP-JYLXEMOASA-N 2 2 400.498 2.288 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128287 1079147084 /nfs/dbraw/zinc/14/70/84/1079147084.db2.gz CFTLOQXMBYZKCP-JYLXEMOASA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128287 1079147087 /nfs/dbraw/zinc/14/70/87/1079147087.db2.gz CFTLOQXMBYZKCP-JYLXEMOASA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128287 1079147091 /nfs/dbraw/zinc/14/70/91/1079147091.db2.gz CFTLOQXMBYZKCP-JYLXEMOASA-N 2 2 400.498 2.288 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129885 1079150821 /nfs/dbraw/zinc/15/08/21/1079150821.db2.gz LHGANGVGFINBLD-VAWZGJIGSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129885 1079150826 /nfs/dbraw/zinc/15/08/26/1079150826.db2.gz LHGANGVGFINBLD-VAWZGJIGSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129885 1079150830 /nfs/dbraw/zinc/15/08/30/1079150830.db2.gz LHGANGVGFINBLD-VAWZGJIGSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169129885 1079150832 /nfs/dbraw/zinc/15/08/32/1079150832.db2.gz LHGANGVGFINBLD-VAWZGJIGSA-N 2 2 411.550 2.276 20 0 HEADLP C[NH+]1CCN(c2ncc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cn2)CC1 ZINC001169517546 1079328384 /nfs/dbraw/zinc/32/83/84/1079328384.db2.gz GNNZLSGGJSWKAN-FPOVZHCZSA-N 2 2 424.549 2.100 20 0 HEADLP C[N@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169861284 1079460530 /nfs/dbraw/zinc/46/05/30/1079460530.db2.gz KUVWKSGVXPPYTR-UHFFFAOYSA-N 2 2 405.605 2.169 20 0 HEADLP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169861284 1079460539 /nfs/dbraw/zinc/46/05/39/1079460539.db2.gz KUVWKSGVXPPYTR-UHFFFAOYSA-N 2 2 405.605 2.169 20 0 HEADLP CC1CCC2(CC1)OC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779741 1079502528 /nfs/dbraw/zinc/50/25/28/1079502528.db2.gz XAFROYJEIRMOTJ-SHWNOYPMSA-N 2 2 408.587 2.118 20 0 HEADLP CC1CCC2(CC1)OC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O2 ZINC000771779741 1079502533 /nfs/dbraw/zinc/50/25/33/1079502533.db2.gz XAFROYJEIRMOTJ-SHWNOYPMSA-N 2 2 408.587 2.118 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709570 1076074634 /nfs/dbraw/zinc/07/46/34/1076074634.db2.gz WECQUAIEHUPDDV-RTBURBONSA-N 2 2 408.587 2.355 20 0 HEADLP C[C@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741020178 1076338891 /nfs/dbraw/zinc/33/88/91/1076338891.db2.gz YDFBWXWPZVRBSS-KZNAEPCWSA-N 2 2 403.523 2.262 20 0 HEADLP Cc1cccc(C2(O)CC[NH+](CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)c1C ZINC000741799928 1076641047 /nfs/dbraw/zinc/64/10/47/1076641047.db2.gz GYRQWXPYQNBNGX-NRFANRHFSA-N 2 2 417.594 2.060 20 0 HEADLP Cc1cccc(C2(O)CC[NH+](CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c1C ZINC000741799928 1076641053 /nfs/dbraw/zinc/64/10/53/1076641053.db2.gz GYRQWXPYQNBNGX-NRFANRHFSA-N 2 2 417.594 2.060 20 0 HEADLP C[NH+]1CCC(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000742011828 1076706634 /nfs/dbraw/zinc/70/66/34/1076706634.db2.gz QDRJICUYFUDTKL-UHFFFAOYSA-N 2 2 411.550 2.236 20 0 HEADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000743403276 1077043852 /nfs/dbraw/zinc/04/38/52/1077043852.db2.gz WBPJIKZKTIPFOD-UHFFFAOYSA-N 2 2 401.511 2.024 20 0 HEADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000743403276 1077043859 /nfs/dbraw/zinc/04/38/59/1077043859.db2.gz WBPJIKZKTIPFOD-UHFFFAOYSA-N 2 2 401.511 2.024 20 0 HEADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000743432459 1077054289 /nfs/dbraw/zinc/05/42/89/1077054289.db2.gz MZLJUNWZQBYCDB-UHFFFAOYSA-N 2 2 410.522 2.239 20 0 HEADLP C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744439706 1077395108 /nfs/dbraw/zinc/39/51/08/1077395108.db2.gz CIMGLSYBVAUDDM-QZTJIDSGSA-N 2 2 406.571 2.267 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771988322 1079633397 /nfs/dbraw/zinc/63/33/97/1079633397.db2.gz WAOYRAYZYTYETA-SQNIBIBYSA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771988322 1079633411 /nfs/dbraw/zinc/63/34/11/1079633411.db2.gz WAOYRAYZYTYETA-SQNIBIBYSA-N 2 2 423.602 2.242 20 0 HEADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000785543229 1080050461 /nfs/dbraw/zinc/05/04/61/1080050461.db2.gz YDZZLADNNBBUOE-UHFFFAOYSA-N 2 2 417.513 2.401 20 0 HEADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000785580483 1080059284 /nfs/dbraw/zinc/05/92/84/1080059284.db2.gz NBTNSBCTBFNWLR-OAQYLSRUSA-N 2 2 423.561 2.428 20 0 HEADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000785574309 1080083019 /nfs/dbraw/zinc/08/30/19/1080083019.db2.gz NNXHKZCSUDSTKZ-NRFANRHFSA-N 2 2 423.561 2.428 20 0 HEADLP COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000785731198 1080204707 /nfs/dbraw/zinc/20/47/07/1080204707.db2.gz OBZOMEXONAWPHK-RTBURBONSA-N 2 2 417.550 2.146 20 0 HEADLP COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000785731198 1080204716 /nfs/dbraw/zinc/20/47/16/1080204716.db2.gz OBZOMEXONAWPHK-RTBURBONSA-N 2 2 417.550 2.146 20 0 HEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112273 1080404647 /nfs/dbraw/zinc/40/46/47/1080404647.db2.gz GZCMXTAKYZBXBH-LJQANCHMSA-N 2 2 416.566 2.177 20 0 HEADLP Cc1cccc(C2(O)CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1C ZINC000768362479 1080513195 /nfs/dbraw/zinc/51/31/95/1080513195.db2.gz MDRHXNMFEYQNNZ-HXUWFJFHSA-N 2 2 414.594 2.465 20 0 HEADLP Cc1cccc(C2(O)CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1C ZINC000768362479 1080513208 /nfs/dbraw/zinc/51/32/08/1080513208.db2.gz MDRHXNMFEYQNNZ-HXUWFJFHSA-N 2 2 414.594 2.465 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542841 1080619154 /nfs/dbraw/zinc/61/91/54/1080619154.db2.gz HVWYYLAALNUXON-IEBWSBKVSA-N 2 2 418.586 2.496 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542841 1080619161 /nfs/dbraw/zinc/61/91/61/1080619161.db2.gz HVWYYLAALNUXON-IEBWSBKVSA-N 2 2 418.586 2.496 20 0 HEADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786818357 1080842402 /nfs/dbraw/zinc/84/24/02/1080842402.db2.gz TVFRSKNSUDQMNF-SFHVURJKSA-N 2 2 422.533 2.001 20 0 HEADLP CN(C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915394 1080854804 /nfs/dbraw/zinc/85/48/04/1080854804.db2.gz LZBUUOAIXQXOGI-GOSISDBHSA-N 2 2 418.586 2.307 20 0 HEADLP CN(C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915394 1080854806 /nfs/dbraw/zinc/85/48/06/1080854806.db2.gz LZBUUOAIXQXOGI-GOSISDBHSA-N 2 2 418.586 2.307 20 0 HEADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000787159838 1081036990 /nfs/dbraw/zinc/03/69/90/1081036990.db2.gz MOQSJWVPEVLIJW-FQEVSTJZSA-N 2 2 411.550 2.283 20 0 HEADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000787159838 1081036997 /nfs/dbraw/zinc/03/69/97/1081036997.db2.gz MOQSJWVPEVLIJW-FQEVSTJZSA-N 2 2 411.550 2.283 20 0 HEADLP COc1c[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821209 720284358 /nfs/dbraw/zinc/28/43/58/720284358.db2.gz ZDAUGJYQINULID-ROUUACIJSA-N 2 2 416.570 2.217 20 0 HEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746686 720808226 /nfs/dbraw/zinc/80/82/26/720808226.db2.gz MOPHPDJQYJIHHI-HSALFYBXSA-N 2 2 408.554 2.048 20 0 HEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746686 720808228 /nfs/dbraw/zinc/80/82/28/720808228.db2.gz MOPHPDJQYJIHHI-HSALFYBXSA-N 2 2 408.554 2.048 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741179 720838871 /nfs/dbraw/zinc/83/88/71/720838871.db2.gz DSAXBLCAVCMTOY-SLFFLAALSA-N 2 2 410.570 2.294 20 0 HEADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164741179 720838874 /nfs/dbraw/zinc/83/88/74/720838874.db2.gz DSAXBLCAVCMTOY-SLFFLAALSA-N 2 2 410.570 2.294 20 0 HEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751826 720846603 /nfs/dbraw/zinc/84/66/03/720846603.db2.gz ZASHZOBRTXMREO-NJDAHSKKSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751826 720846606 /nfs/dbraw/zinc/84/66/06/720846606.db2.gz ZASHZOBRTXMREO-NJDAHSKKSA-N 2 2 422.581 2.438 20 0 HEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@H]2C1 ZINC001164864398 720887316 /nfs/dbraw/zinc/88/73/16/720887316.db2.gz VRAYGXZGOZQSPB-HRAATJIYSA-N 2 2 401.507 2.426 20 0 HEADLP COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC[C@H]2C1 ZINC001164864398 720887318 /nfs/dbraw/zinc/88/73/18/720887318.db2.gz VRAYGXZGOZQSPB-HRAATJIYSA-N 2 2 401.507 2.426 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)[nH+]2)CC1 ZINC001164878070 721248954 /nfs/dbraw/zinc/24/89/54/721248954.db2.gz SBVCRLNCTJWGMP-NJYVYQBISA-N 2 2 409.534 2.434 20 0 HEADLP C[C@H]1CCCN(c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc[nH+]2)C1 ZINC001165003734 722257382 /nfs/dbraw/zinc/25/73/82/722257382.db2.gz GVAWANJTTXURHH-SFHVURJKSA-N 2 2 413.570 2.398 20 0 HEADLP C[C@H]1CCCN(c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)[nH+]cn2)C1 ZINC001165003734 722257387 /nfs/dbraw/zinc/25/73/87/722257387.db2.gz GVAWANJTTXURHH-SFHVURJKSA-N 2 2 413.570 2.398 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252076 1078832405 /nfs/dbraw/zinc/83/24/05/1078832405.db2.gz BJUDFJVETRAQMF-JZXOWHBKSA-N 2 2 424.586 2.032 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252076 1078832408 /nfs/dbraw/zinc/83/24/08/1078832408.db2.gz BJUDFJVETRAQMF-JZXOWHBKSA-N 2 2 424.586 2.032 20 0 HEADLP COC(=O)C1(C)CCC([N@@H+]2CCn3c(CN4CC[NH+](C)CC4)cnc3[C@@H]2C)CC1 ZINC001168788966 1078979459 /nfs/dbraw/zinc/97/94/59/1078979459.db2.gz GZLNTLVSWWGBAJ-LYGNXSNRSA-N 2 2 403.571 2.129 20 0 HEADLP COC(=O)C1(C)CCC([N@H+]2CCn3c(CN4CC[NH+](C)CC4)cnc3[C@@H]2C)CC1 ZINC001168788966 1078979465 /nfs/dbraw/zinc/97/94/65/1078979465.db2.gz GZLNTLVSWWGBAJ-LYGNXSNRSA-N 2 2 403.571 2.129 20 0 HEADLP O=C(OC1CCC([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1)c1ccccc1 ZINC001169299428 1079228456 /nfs/dbraw/zinc/22/84/56/1079228456.db2.gz DUKHXJPNHFEXAZ-UHFFFAOYSA-N 2 2 401.551 2.104 20 0 HEADLP CN(C(=O)NC1CCC(O)(c2cccnc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779490 1079499720 /nfs/dbraw/zinc/49/97/20/1079499720.db2.gz LJNBODIMTGXEMQ-SWCONJRYSA-N 2 2 415.582 2.022 20 0 HEADLP CN(C(=O)NC1CCC(O)(c2cccnc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779490 1079499723 /nfs/dbraw/zinc/49/97/23/1079499723.db2.gz LJNBODIMTGXEMQ-SWCONJRYSA-N 2 2 415.582 2.022 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000740058005 1076099765 /nfs/dbraw/zinc/09/97/65/1076099765.db2.gz PEOQZIFOAXDXDO-DAWZGUTISA-N 2 2 423.602 2.290 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000740058005 1076099772 /nfs/dbraw/zinc/09/97/72/1076099772.db2.gz PEOQZIFOAXDXDO-DAWZGUTISA-N 2 2 423.602 2.290 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC000741011022 1076328202 /nfs/dbraw/zinc/32/82/02/1076328202.db2.gz LNTAOEBLOQNFRO-QFIPXVFZSA-N 2 2 401.551 2.303 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)CC2)CC1 ZINC000741784680 1076626917 /nfs/dbraw/zinc/62/69/17/1076626917.db2.gz LLDHQOQPUDYGSV-JOCHJYFZSA-N 2 2 412.578 2.367 20 0 HEADLP Cc1ccc(N2C[C@@H](C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CC2=O)cc1 ZINC000742010161 1076706037 /nfs/dbraw/zinc/70/60/37/1076706037.db2.gz CIVOWEUWPAWTGW-FQEVSTJZSA-N 2 2 412.578 2.414 20 0 HEADLP Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742011234 1076707125 /nfs/dbraw/zinc/70/71/25/1076707125.db2.gz MHSCNFUCTVJBGK-FXBPSFAMSA-N 2 2 423.565 2.046 20 0 HEADLP Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742011235 1076707189 /nfs/dbraw/zinc/70/71/89/1076707189.db2.gz MHSCNFUCTVJBGK-HEHNFIMWSA-N 2 2 423.565 2.046 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000742670093 1076862810 /nfs/dbraw/zinc/86/28/10/1076862810.db2.gz FMFKFHWAKFIPOO-UHFFFAOYSA-N 2 2 408.543 2.402 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000742670093 1076862812 /nfs/dbraw/zinc/86/28/12/1076862812.db2.gz FMFKFHWAKFIPOO-UHFFFAOYSA-N 2 2 408.543 2.402 20 0 HEADLP COCC[S@@](=O)Cc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000743159007 1076979579 /nfs/dbraw/zinc/97/95/79/1076979579.db2.gz TZBPBOTYIPKFMF-GDLZYMKVSA-N 2 2 424.611 2.071 20 0 HEADLP COCC[S@@](=O)Cc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000743159007 1076979590 /nfs/dbraw/zinc/97/95/90/1076979590.db2.gz TZBPBOTYIPKFMF-GDLZYMKVSA-N 2 2 424.611 2.071 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nccc(NC[C@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300809 1077021980 /nfs/dbraw/zinc/02/19/80/1077021980.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nccc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300809 1077021986 /nfs/dbraw/zinc/02/19/86/1077021986.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2ccnc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300809 1077021992 /nfs/dbraw/zinc/02/19/92/1077021992.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2ccnc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300809 1077021997 /nfs/dbraw/zinc/02/19/97/1077021997.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nc(NC[C@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300809 1077022003 /nfs/dbraw/zinc/02/20/03/1077022003.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300809 1077022007 /nfs/dbraw/zinc/02/20/07/1077022007.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2cc[nH+]c(NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300809 1077022013 /nfs/dbraw/zinc/02/20/13/1077022013.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2cc[nH+]c(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300809 1077022020 /nfs/dbraw/zinc/02/20/20/1077022020.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 3 2 420.602 2.014 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743594015 1077078039 /nfs/dbraw/zinc/07/80/39/1077078039.db2.gz LFSGBEINTIDSNL-VQTJNVASSA-N 2 2 401.555 2.193 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000743594015 1077078045 /nfs/dbraw/zinc/07/80/45/1077078045.db2.gz LFSGBEINTIDSNL-VQTJNVASSA-N 2 2 401.555 2.193 20 0 HEADLP CN(CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771762969 1079517338 /nfs/dbraw/zinc/51/73/38/1079517338.db2.gz QZBZTFYNPHTLAN-SFHVURJKSA-N 2 2 411.591 2.053 20 0 HEADLP CN(CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771762969 1079517352 /nfs/dbraw/zinc/51/73/52/1079517352.db2.gz QZBZTFYNPHTLAN-SFHVURJKSA-N 2 2 411.591 2.053 20 0 HEADLP CN(CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771762968 1079517519 /nfs/dbraw/zinc/51/75/19/1079517519.db2.gz QZBZTFYNPHTLAN-GOSISDBHSA-N 2 2 411.591 2.053 20 0 HEADLP CN(CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771762968 1079517533 /nfs/dbraw/zinc/51/75/33/1079517533.db2.gz QZBZTFYNPHTLAN-GOSISDBHSA-N 2 2 411.591 2.053 20 0 HEADLP CCN(CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771766221 1079520060 /nfs/dbraw/zinc/52/00/60/1079520060.db2.gz SRQUPHOAMQMPGX-GOSISDBHSA-N 2 2 411.591 2.053 20 0 HEADLP CCN(CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000771766221 1079520070 /nfs/dbraw/zinc/52/00/70/1079520070.db2.gz SRQUPHOAMQMPGX-GOSISDBHSA-N 2 2 411.591 2.053 20 0 HEADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764799 1079520430 /nfs/dbraw/zinc/52/04/30/1079520430.db2.gz DPUUXKTWFGYPKW-UZLBHIALSA-N 2 2 413.566 2.076 20 0 HEADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000771764799 1079520438 /nfs/dbraw/zinc/52/04/38/1079520438.db2.gz DPUUXKTWFGYPKW-UZLBHIALSA-N 2 2 413.566 2.076 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000771842739 1079533746 /nfs/dbraw/zinc/53/37/46/1079533746.db2.gz VSHHKPUJHWIJET-IBGZPJMESA-N 2 2 405.564 2.192 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000771842739 1079533754 /nfs/dbraw/zinc/53/37/54/1079533754.db2.gz VSHHKPUJHWIJET-IBGZPJMESA-N 2 2 405.564 2.192 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771996505 1079639850 /nfs/dbraw/zinc/63/98/50/1079639850.db2.gz VRVGWOGTXVSKGL-SQNIBIBYSA-N 2 2 423.602 2.194 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771996505 1079639877 /nfs/dbraw/zinc/63/98/77/1079639877.db2.gz VRVGWOGTXVSKGL-SQNIBIBYSA-N 2 2 423.602 2.194 20 0 HEADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000785541720 1080050089 /nfs/dbraw/zinc/05/00/89/1080050089.db2.gz QPJFQTJVSWKGPI-FQEVSTJZSA-N 2 2 409.534 2.038 20 0 HEADLP CN(C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786142799 1080417853 /nfs/dbraw/zinc/41/78/53/1080417853.db2.gz CTXFUEDHYYFVAU-HNAYVOBHSA-N 2 2 406.477 2.085 20 0 HEADLP CN(C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786142799 1080417864 /nfs/dbraw/zinc/41/78/64/1080417864.db2.gz CTXFUEDHYYFVAU-HNAYVOBHSA-N 2 2 406.477 2.085 20 0 HEADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499409 1080594752 /nfs/dbraw/zinc/59/47/52/1080594752.db2.gz ZPLUKWCRKMQDJD-SFHVURJKSA-N 2 2 405.543 2.421 20 0 HEADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499409 1080594764 /nfs/dbraw/zinc/59/47/64/1080594764.db2.gz ZPLUKWCRKMQDJD-SFHVURJKSA-N 2 2 405.543 2.421 20 0 HEADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786855093 1080853201 /nfs/dbraw/zinc/85/32/01/1080853201.db2.gz XVYBYGTVZXQJLO-LJQANCHMSA-N 2 2 421.545 2.211 20 0 HEADLP COc1c[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164821208 720285049 /nfs/dbraw/zinc/28/50/49/720285049.db2.gz ZDAUGJYQINULID-QZTJIDSGSA-N 2 2 416.570 2.217 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1N1CCCC1 ZINC001164817290 720286455 /nfs/dbraw/zinc/28/64/55/720286455.db2.gz CDKNTJHVJDBGIL-WOJBJXKFSA-N 2 2 412.582 2.297 20 0 HEADLP Cc1[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc2[nH]ccc21 ZINC001164830642 720467473 /nfs/dbraw/zinc/46/74/73/720467473.db2.gz KMZQCXJQWBWVAP-KRWDZBQOSA-N 2 2 410.522 2.057 20 0 HEADLP c1ncn(C[C@H]2C[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746690 720808067 /nfs/dbraw/zinc/80/80/67/720808067.db2.gz MOPHPDJQYJIHHI-XUVXKRRUSA-N 2 2 408.554 2.048 20 0 HEADLP c1ncn(C[C@H]2C[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746690 720808069 /nfs/dbraw/zinc/80/80/69/720808069.db2.gz MOPHPDJQYJIHHI-XUVXKRRUSA-N 2 2 408.554 2.048 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738759 720827244 /nfs/dbraw/zinc/82/72/44/720827244.db2.gz GGABAKWKGNSCQM-SLFFLAALSA-N 2 2 424.549 2.456 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738759 720827247 /nfs/dbraw/zinc/82/72/47/720827247.db2.gz GGABAKWKGNSCQM-SLFFLAALSA-N 2 2 424.549 2.456 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)CN(c3ccccn3)CCO4)[nH+]2)CC1 ZINC001164869066 721220016 /nfs/dbraw/zinc/22/00/16/721220016.db2.gz BJWIBZXCTANEAB-UHFFFAOYSA-N 2 2 408.550 2.104 20 0 HEADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895453 721430181 /nfs/dbraw/zinc/43/01/81/721430181.db2.gz PEBMHEQTPDWKTI-JTSKRJEESA-N 2 2 420.001 2.146 20 0 HEADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164923389 721860630 /nfs/dbraw/zinc/86/06/30/721860630.db2.gz AGTPSQOZZCOLHT-DHIUTWEWSA-N 2 2 406.578 2.250 20 0 HEADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164923389 721860631 /nfs/dbraw/zinc/86/06/31/721860631.db2.gz AGTPSQOZZCOLHT-DHIUTWEWSA-N 2 2 406.578 2.250 20 0 HEADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766423208 1078973137 /nfs/dbraw/zinc/97/31/37/1078973137.db2.gz FDIDIDMUWYOIDH-SFHVURJKSA-N 2 2 409.538 2.282 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)c(F)c1 ZINC000746453879 1078984256 /nfs/dbraw/zinc/98/42/56/1078984256.db2.gz OJKGXKCRSFFZBX-SFHVURJKSA-N 2 2 413.497 2.280 20 0 HEADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)c(F)c1 ZINC000746453879 1078984260 /nfs/dbraw/zinc/98/42/60/1078984260.db2.gz OJKGXKCRSFFZBX-SFHVURJKSA-N 2 2 413.497 2.280 20 0 HEADLP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2ccccc12 ZINC001169116636 1079140656 /nfs/dbraw/zinc/14/06/56/1079140656.db2.gz YOHFKMKGKPZEAI-QHCPKHFHSA-N 3 2 403.486 2.398 20 0 HEADLP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169114483 1079162212 /nfs/dbraw/zinc/16/22/12/1079162212.db2.gz KLXUJOYDJACWCB-WMZHIEFXSA-N 2 2 409.486 2.106 20 0 HEADLP CC[NH+]1CCC([NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)CC1 ZINC001169249205 1079211528 /nfs/dbraw/zinc/21/15/28/1079211528.db2.gz FLONQNQCGARHLD-UHFFFAOYSA-N 2 2 407.580 2.266 20 0 HEADLP CCC(CC)[C@H](C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001169249996 1079211872 /nfs/dbraw/zinc/21/18/72/1079211872.db2.gz HCNGRPZKLCOIFS-IFMALSPDSA-N 2 2 403.567 2.175 20 0 HEADLP CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001169249999 1079211885 /nfs/dbraw/zinc/21/18/85/1079211885.db2.gz HCNGRPZKLCOIFS-UNMCSNQZSA-N 2 2 403.567 2.175 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001687511280 1079271055 /nfs/dbraw/zinc/27/10/55/1079271055.db2.gz REEWSPHJUZQRQZ-NRFANRHFSA-N 2 2 411.550 2.234 20 0 HEADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001687511280 1079271064 /nfs/dbraw/zinc/27/10/64/1079271064.db2.gz REEWSPHJUZQRQZ-NRFANRHFSA-N 2 2 411.550 2.234 20 0 HEADLP CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667550 1079435976 /nfs/dbraw/zinc/43/59/76/1079435976.db2.gz LXGWYTBLCAUGKP-VGOFRKELSA-N 2 2 408.587 2.451 20 0 HEADLP CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667550 1079435994 /nfs/dbraw/zinc/43/59/94/1079435994.db2.gz LXGWYTBLCAUGKP-VGOFRKELSA-N 2 2 408.587 2.451 20 0 HEADLP O=C1C(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C(=O)N1CCC1=CCCCC1 ZINC000738071314 1075958094 /nfs/dbraw/zinc/95/80/94/1075958094.db2.gz KXCPYLWEPMXEHF-UHFFFAOYSA-N 2 2 402.539 2.433 20 0 HEADLP O=C1CN(/C=C/c2ccccc2)C(=O)N1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112614 1075966283 /nfs/dbraw/zinc/96/62/83/1075966283.db2.gz YRWVFDRDFQWLPP-UKTHLTGXSA-N 2 2 412.534 2.313 20 0 HEADLP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738147953 1075968578 /nfs/dbraw/zinc/96/85/78/1075968578.db2.gz HEWOHIXYDOOOMP-OFNKIYASSA-N 2 2 422.533 2.064 20 0 HEADLP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738147953 1075968583 /nfs/dbraw/zinc/96/85/83/1075968583.db2.gz HEWOHIXYDOOOMP-OFNKIYASSA-N 2 2 422.533 2.064 20 0 HEADLP CN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779939 1079502060 /nfs/dbraw/zinc/50/20/60/1079502060.db2.gz ZHMGAUDJJNEBPJ-SFHVURJKSA-N 2 2 423.602 2.244 20 0 HEADLP CN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779939 1079502068 /nfs/dbraw/zinc/50/20/68/1079502068.db2.gz ZHMGAUDJJNEBPJ-SFHVURJKSA-N 2 2 423.602 2.244 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)C[C@@](C)(CC(C)C)C3=O)CC2)CC1 ZINC000740855052 1076268419 /nfs/dbraw/zinc/26/84/19/1076268419.db2.gz NIGOJSNZOIOJDW-HSZRJFAPSA-N 2 2 420.598 2.021 20 0 HEADLP CC(C)[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000741011547 1076328078 /nfs/dbraw/zinc/32/80/78/1076328078.db2.gz FEFNJJQYISTTBH-JOCHJYFZSA-N 2 2 401.551 2.385 20 0 HEADLP CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742012448 1076707118 /nfs/dbraw/zinc/70/71/18/1076707118.db2.gz VDZFRDADHOKATH-VPDFPHFYSA-N 2 2 422.639 2.311 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN(CC3CC3)C(=O)OC(C)(C)C)CC2)CC1 ZINC000742599545 1076855001 /nfs/dbraw/zinc/85/50/01/1076855001.db2.gz NXIFMWYKLRXQGK-UHFFFAOYSA-N 2 2 408.587 2.308 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000743118861 1076963982 /nfs/dbraw/zinc/96/39/82/1076963982.db2.gz ZZJYWNAVXQTCMG-UHFFFAOYSA-N 2 2 405.518 2.442 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000743118861 1076963986 /nfs/dbraw/zinc/96/39/86/1076963986.db2.gz ZZJYWNAVXQTCMG-UHFFFAOYSA-N 2 2 405.518 2.442 20 0 HEADLP Cc1ccc(N2CCOC2=O)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000743242511 1077012668 /nfs/dbraw/zinc/01/26/68/1077012668.db2.gz JRHNNKUGSQSQQA-UHFFFAOYSA-N 2 2 403.527 2.441 20 0 HEADLP Cc1ccc(N2CCOC2=O)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000743242511 1077012678 /nfs/dbraw/zinc/01/26/78/1077012678.db2.gz JRHNNKUGSQSQQA-UHFFFAOYSA-N 2 2 403.527 2.441 20 0 HEADLP Cc1ccc(N2CCC[C@H]([NH+]3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)C2=O)cc1 ZINC000744402281 1077380710 /nfs/dbraw/zinc/38/07/10/1077380710.db2.gz LUXZEDPIXBMYCW-QFIPXVFZSA-N 2 2 412.578 2.367 20 0 HEADLP C[C@@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440915 1077395770 /nfs/dbraw/zinc/39/57/70/1077395770.db2.gz VZUYHCGJJMWXPK-QFIPXVFZSA-N 2 2 406.571 2.412 20 0 HEADLP C[C@@H]1C(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1c1ccccc1 ZINC000744441944 1077396090 /nfs/dbraw/zinc/39/60/90/1077396090.db2.gz UMRXEFXDAFSZEP-GOSISDBHSA-N 2 2 400.523 2.378 20 0 HEADLP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000745089224 1077725795 /nfs/dbraw/zinc/72/57/95/1077725795.db2.gz PYWWLBYEOLTAHK-NRFANRHFSA-N 2 2 417.550 2.147 20 0 HEADLP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000745089224 1077725798 /nfs/dbraw/zinc/72/57/98/1077725798.db2.gz PYWWLBYEOLTAHK-NRFANRHFSA-N 2 2 417.550 2.147 20 0 HEADLP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000745089224 1077725800 /nfs/dbraw/zinc/72/58/00/1077725800.db2.gz PYWWLBYEOLTAHK-NRFANRHFSA-N 2 2 417.550 2.147 20 0 HEADLP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000745089224 1077725802 /nfs/dbraw/zinc/72/58/02/1077725802.db2.gz PYWWLBYEOLTAHK-NRFANRHFSA-N 2 2 417.550 2.147 20 0 HEADLP C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000766913311 1079504065 /nfs/dbraw/zinc/50/40/65/1079504065.db2.gz JNPYLRACLSCHQE-IERDGZPVSA-N 2 2 406.546 2.496 20 0 HEADLP CN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763055 1079516683 /nfs/dbraw/zinc/51/66/83/1079516683.db2.gz AXNLNBCRWFLFHI-IEBWSBKVSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763055 1079516696 /nfs/dbraw/zinc/51/66/96/1079516696.db2.gz AXNLNBCRWFLFHI-IEBWSBKVSA-N 2 2 423.602 2.196 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376170 1079852344 /nfs/dbraw/zinc/85/23/44/1079852344.db2.gz HGTFRNMKXFMQGL-FGTMMUONSA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376170 1079852349 /nfs/dbraw/zinc/85/23/49/1079852349.db2.gz HGTFRNMKXFMQGL-FGTMMUONSA-N 2 2 423.602 2.242 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(c4c(F)cccc4F)=NO3)CC2)CC1 ZINC000786028562 1080340694 /nfs/dbraw/zinc/34/06/94/1080340694.db2.gz PEBCYNWRLHWULY-LJQANCHMSA-N 2 2 406.477 2.133 20 0 HEADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCCCCC1 ZINC000786626913 1080721386 /nfs/dbraw/zinc/72/13/86/1080721386.db2.gz KLXMJCQWGFQKTL-OALUTQOASA-N 2 2 403.571 2.143 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)c1C ZINC000786629554 1080725888 /nfs/dbraw/zinc/72/58/88/1080725888.db2.gz RNPCCJIATMEFPE-LJQANCHMSA-N 2 2 404.555 2.340 20 0 HEADLP Cc1[nH+]ccn1CCCN(C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957360 /nfs/dbraw/zinc/95/73/60/1080957360.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 2 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCCN(C)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957368 /nfs/dbraw/zinc/95/73/68/1080957368.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 2 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957381 /nfs/dbraw/zinc/95/73/81/1080957381.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957393 /nfs/dbraw/zinc/95/73/93/1080957393.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[NH+](C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957409 /nfs/dbraw/zinc/95/74/09/1080957409.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[NH+](C)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746627981 1080957417 /nfs/dbraw/zinc/95/74/17/1080957417.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 3 2 424.549 2.058 20 0 HEADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000746630967 1081016922 /nfs/dbraw/zinc/01/69/22/1081016922.db2.gz FRZLLMGVPBJJLB-SFHVURJKSA-N 2 2 409.412 2.481 20 0 HEADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000746630967 1081016927 /nfs/dbraw/zinc/01/69/27/1081016927.db2.gz FRZLLMGVPBJJLB-SFHVURJKSA-N 2 2 409.412 2.481 20 0 HEADLP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000787288625 1081093327 /nfs/dbraw/zinc/09/33/27/1081093327.db2.gz OWQNDDLWSAACIZ-HXUWFJFHSA-N 2 2 411.550 2.284 20 0 HEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164636078 719135680 /nfs/dbraw/zinc/13/56/80/719135680.db2.gz YEEKYLJBMJDNBR-OAHLLOKOSA-N 2 2 403.552 2.245 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748899 720843265 /nfs/dbraw/zinc/84/32/65/720843265.db2.gz VCNHIIXDXALOMD-HSALFYBXSA-N 2 2 409.538 2.319 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748899 720843267 /nfs/dbraw/zinc/84/32/67/720843267.db2.gz VCNHIIXDXALOMD-HSALFYBXSA-N 2 2 409.538 2.319 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)[nH+]2)CC1 ZINC001164861579 720894334 /nfs/dbraw/zinc/89/43/34/720894334.db2.gz YDUYMNZIFAKFEX-UHFFFAOYSA-N 2 2 420.561 2.361 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887859 721378728 /nfs/dbraw/zinc/37/87/28/721378728.db2.gz IRBLOXYCBNOUPG-SIKLNZKXSA-N 2 2 402.587 2.007 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164887859 721378732 /nfs/dbraw/zinc/37/87/32/721378732.db2.gz IRBLOXYCBNOUPG-SIKLNZKXSA-N 2 2 402.587 2.007 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCCC[C@]34CC(=O)N(Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164891027 721475384 /nfs/dbraw/zinc/47/53/84/721475384.db2.gz ADSLPBBMBAZNIV-XMMPIXPASA-N 2 2 420.561 2.390 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001164798111 721571295 /nfs/dbraw/zinc/57/12/95/721571295.db2.gz ADVGIHNZWPQFMX-LGVFNWMJSA-N 3 2 422.577 2.272 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001164798111 721571297 /nfs/dbraw/zinc/57/12/97/721571297.db2.gz ADVGIHNZWPQFMX-LGVFNWMJSA-N 3 2 422.577 2.272 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164798109 721571503 /nfs/dbraw/zinc/57/15/03/721571503.db2.gz ADVGIHNZWPQFMX-IMSXRSKXSA-N 3 2 422.577 2.272 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164798109 721571507 /nfs/dbraw/zinc/57/15/07/721571507.db2.gz ADVGIHNZWPQFMX-IMSXRSKXSA-N 3 2 422.577 2.272 20 0 HEADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc(N5CCCC5)cc[nH+]4)CCO3)C2)c1 ZINC001164917083 721789326 /nfs/dbraw/zinc/78/93/26/721789326.db2.gz WPXRCPUPFJAXIQ-QHCPKHFHSA-N 2 2 409.534 2.185 20 0 HEADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc(N5CCCC5)cc[nH+]4)CCO3)C2)c1 ZINC001164917083 721789329 /nfs/dbraw/zinc/78/93/29/721789329.db2.gz WPXRCPUPFJAXIQ-QHCPKHFHSA-N 2 2 409.534 2.185 20 0 HEADLP C[C@H](C[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC000769692317 1078521426 /nfs/dbraw/zinc/52/14/26/1078521426.db2.gz IAFZNJXTNDKTKY-ZWKOTPCHSA-N 2 2 419.570 2.402 20 0 HEADLP CN(CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000745803453 1078653448 /nfs/dbraw/zinc/65/34/48/1078653448.db2.gz ULFWFQWWTCNXRG-UHFFFAOYSA-N 2 2 411.591 2.103 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@@H](O)c2c(F)cccc2F)([NH+]2CCCCC2)CC1 ZINC000745878342 1078681712 /nfs/dbraw/zinc/68/17/12/1078681712.db2.gz MOGMLPQPESFZLZ-GOSISDBHSA-N 2 2 410.509 2.248 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383755 1078835015 /nfs/dbraw/zinc/83/50/15/1078835015.db2.gz WPZWJHSQQQRSEU-SJLPKXTDSA-N 2 2 404.559 2.106 20 0 HEADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000770383755 1078835017 /nfs/dbraw/zinc/83/50/17/1078835017.db2.gz WPZWJHSQQQRSEU-SJLPKXTDSA-N 2 2 404.559 2.106 20 0 HEADLP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC001168839441 1079050509 /nfs/dbraw/zinc/05/05/09/1079050509.db2.gz TXBMENOUZLNAML-UHFFFAOYSA-N 2 2 400.548 2.468 20 0 HEADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC001168839441 1079050515 /nfs/dbraw/zinc/05/05/15/1079050515.db2.gz TXBMENOUZLNAML-UHFFFAOYSA-N 2 2 400.548 2.468 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128290 1079147170 /nfs/dbraw/zinc/14/71/70/1079147170.db2.gz CFTLOQXMBYZKCP-WEMPKCCASA-N 2 2 400.498 2.288 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128290 1079147174 /nfs/dbraw/zinc/14/71/74/1079147174.db2.gz CFTLOQXMBYZKCP-WEMPKCCASA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128290 1079147179 /nfs/dbraw/zinc/14/71/79/1079147179.db2.gz CFTLOQXMBYZKCP-WEMPKCCASA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128290 1079147180 /nfs/dbraw/zinc/14/71/80/1079147180.db2.gz CFTLOQXMBYZKCP-WEMPKCCASA-N 2 2 400.498 2.288 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131779 1079151500 /nfs/dbraw/zinc/15/15/00/1079151500.db2.gz YZFBUDIBDYCKMR-WYADAEROSA-N 2 2 406.571 2.203 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131779 1079151502 /nfs/dbraw/zinc/15/15/02/1079151502.db2.gz YZFBUDIBDYCKMR-WYADAEROSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131779 1079151504 /nfs/dbraw/zinc/15/15/04/1079151504.db2.gz YZFBUDIBDYCKMR-WYADAEROSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131779 1079151508 /nfs/dbraw/zinc/15/15/08/1079151508.db2.gz YZFBUDIBDYCKMR-WYADAEROSA-N 2 2 406.571 2.203 20 0 HEADLP CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001169249997 1079212007 /nfs/dbraw/zinc/21/20/07/1079212007.db2.gz HCNGRPZKLCOIFS-IRLDBZIGSA-N 2 2 403.567 2.175 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CO1 ZINC001169424379 1079280755 /nfs/dbraw/zinc/28/07/55/1079280755.db2.gz ZCXBQPQZABAJGI-PMACEKPBSA-N 2 2 404.507 2.138 20 0 HEADLP CC(=O)N1CCC[C@@H]([NH+]2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169634738 1079349284 /nfs/dbraw/zinc/34/92/84/1079349284.db2.gz RVYAZOUQCBYUSB-HXUWFJFHSA-N 2 2 408.587 2.451 20 0 HEADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)[nH+]1 ZINC000771646402 1079420630 /nfs/dbraw/zinc/42/06/30/1079420630.db2.gz KNUJLWKGAHMXPA-UHFFFAOYSA-N 2 2 419.411 2.465 20 0 HEADLP CC(C)[C@@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000741011548 1076327970 /nfs/dbraw/zinc/32/79/70/1076327970.db2.gz FEFNJJQYISTTBH-QFIPXVFZSA-N 2 2 401.551 2.385 20 0 HEADLP CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000742664664 1076861972 /nfs/dbraw/zinc/86/19/72/1076861972.db2.gz VBEFQPNBVPIDAV-LJQANCHMSA-N 2 2 408.587 2.260 20 0 HEADLP CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000742664664 1076861974 /nfs/dbraw/zinc/86/19/74/1076861974.db2.gz VBEFQPNBVPIDAV-LJQANCHMSA-N 2 2 408.587 2.260 20 0 HEADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1N1C(=O)CCC1=O ZINC000743157129 1076978327 /nfs/dbraw/zinc/97/83/27/1076978327.db2.gz FWXMOCXHWJJTMD-UHFFFAOYSA-N 2 2 415.538 2.138 20 0 HEADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1N1C(=O)CCC1=O ZINC000743157129 1076978340 /nfs/dbraw/zinc/97/83/40/1076978340.db2.gz FWXMOCXHWJJTMD-UHFFFAOYSA-N 2 2 415.538 2.138 20 0 HEADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000743315225 1077027581 /nfs/dbraw/zinc/02/75/81/1077027581.db2.gz SHJJWBNVQQXFHH-KRWDZBQOSA-N 2 2 417.554 2.079 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427138 1077389337 /nfs/dbraw/zinc/38/93/37/1077389337.db2.gz ZNDKIVMPHRWJJC-TZIWHRDSSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427138 1077389343 /nfs/dbraw/zinc/38/93/43/1077389343.db2.gz ZNDKIVMPHRWJJC-TZIWHRDSSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000744427138 1077389349 /nfs/dbraw/zinc/38/93/49/1077389349.db2.gz ZNDKIVMPHRWJJC-TZIWHRDSSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000744427138 1077389353 /nfs/dbraw/zinc/38/93/53/1077389353.db2.gz ZNDKIVMPHRWJJC-TZIWHRDSSA-N 2 2 416.566 2.130 20 0 HEADLP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000745087275 1077724757 /nfs/dbraw/zinc/72/47/57/1077724757.db2.gz QIYYANQXRQRJQB-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000745087275 1077724764 /nfs/dbraw/zinc/72/47/64/1077724764.db2.gz QIYYANQXRQRJQB-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000745087275 1077724774 /nfs/dbraw/zinc/72/47/74/1077724774.db2.gz QIYYANQXRQRJQB-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000745087275 1077724784 /nfs/dbraw/zinc/72/47/84/1077724784.db2.gz QIYYANQXRQRJQB-NRFANRHFSA-N 2 2 401.551 2.447 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931694 1079510900 /nfs/dbraw/zinc/51/09/00/1079510900.db2.gz MDIZXBRABNHMJF-HJNYFJLDSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931694 1079510909 /nfs/dbraw/zinc/51/09/09/1079510909.db2.gz MDIZXBRABNHMJF-HJNYFJLDSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931694 1079510919 /nfs/dbraw/zinc/51/09/19/1079510919.db2.gz MDIZXBRABNHMJF-HJNYFJLDSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931694 1079510929 /nfs/dbraw/zinc/51/09/29/1079510929.db2.gz MDIZXBRABNHMJF-HJNYFJLDSA-N 2 2 400.567 2.403 20 0 HEADLP CN(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771762592 1079518276 /nfs/dbraw/zinc/51/82/76/1079518276.db2.gz OFYXDGPBFCSKMB-LJQANCHMSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771762592 1079518290 /nfs/dbraw/zinc/51/82/90/1079518290.db2.gz OFYXDGPBFCSKMB-LJQANCHMSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771765676 1079521087 /nfs/dbraw/zinc/52/10/87/1079521087.db2.gz DHRIANJRGVBURY-RBUKOAKNSA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771765676 1079521098 /nfs/dbraw/zinc/52/10/98/1079521098.db2.gz DHRIANJRGVBURY-RBUKOAKNSA-N 2 2 423.602 2.100 20 0 HEADLP Cc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000772048844 1079669046 /nfs/dbraw/zinc/66/90/46/1079669046.db2.gz MLZGAHXGBKVCHP-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000772048844 1079669053 /nfs/dbraw/zinc/66/90/53/1079669053.db2.gz MLZGAHXGBKVCHP-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000772048844 1079669059 /nfs/dbraw/zinc/66/90/59/1079669059.db2.gz MLZGAHXGBKVCHP-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000772048844 1079669062 /nfs/dbraw/zinc/66/90/62/1079669062.db2.gz MLZGAHXGBKVCHP-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(OCC[NH+](C)C)CC3)C2=O)cc1 ZINC000768494031 1080605339 /nfs/dbraw/zinc/60/53/39/1080605339.db2.gz MBVZUUCUTZOZAK-QHCPKHFHSA-N 2 2 416.566 2.406 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542853 1080619343 /nfs/dbraw/zinc/61/93/43/1080619343.db2.gz HVWYYLAALNUXON-PKOBYXMFSA-N 2 2 418.586 2.496 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542853 1080619352 /nfs/dbraw/zinc/61/93/52/1080619352.db2.gz HVWYYLAALNUXON-PKOBYXMFSA-N 2 2 418.586 2.496 20 0 HEADLP C[NH+](C)[C@H](CNC(=S)NCCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768784242 1080796606 /nfs/dbraw/zinc/79/66/06/1080796606.db2.gz JLJFDSSRISDIHD-QGZVFWFLSA-N 2 2 418.529 2.495 20 0 HEADLP C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427276 1081070384 /nfs/dbraw/zinc/07/03/84/1081070384.db2.gz XECKNDPMZNNIQG-IEBWSBKVSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427276 1081070388 /nfs/dbraw/zinc/07/03/88/1081070388.db2.gz XECKNDPMZNNIQG-IEBWSBKVSA-N 2 2 418.586 2.354 20 0 HEADLP O=C(c1cccnc1N1CCC(C2C[NH2+]C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164614543 719037043 /nfs/dbraw/zinc/03/70/43/719037043.db2.gz CSEPSWROLBTAMX-UHFFFAOYSA-N 2 2 419.573 2.475 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164737839 720708096 /nfs/dbraw/zinc/70/80/96/720708096.db2.gz HIRFFDCQKKBRDO-DLBZAZTESA-N 2 2 407.474 2.384 20 0 HEADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164737839 720708105 /nfs/dbraw/zinc/70/81/05/720708105.db2.gz HIRFFDCQKKBRDO-DLBZAZTESA-N 2 2 407.474 2.384 20 0 HEADLP COc1cc2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2cc1F ZINC001164795181 721522182 /nfs/dbraw/zinc/52/21/82/721522182.db2.gz LFQBEGLGCQXPEJ-UHFFFAOYSA-N 2 2 410.497 2.347 20 0 HEADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001165010746 721700343 /nfs/dbraw/zinc/70/03/43/721700343.db2.gz LRNSJJPDFCSAGP-UHFFFAOYSA-N 2 2 418.977 2.439 20 0 HEADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001165010746 721700345 /nfs/dbraw/zinc/70/03/45/721700345.db2.gz LRNSJJPDFCSAGP-UHFFFAOYSA-N 2 2 418.977 2.439 20 0 HEADLP C[NH+]1CCC(CNC(=O)NCc2ccnc(-n3ccnc3)c2)([NH+]2CCCCC2)CC1 ZINC000745789927 1078645988 /nfs/dbraw/zinc/64/59/88/1078645988.db2.gz VODLSBIVCBUNNB-UHFFFAOYSA-N 2 2 411.554 2.017 20 0 HEADLP COC(=O)c1cc(C(=O)OC)n(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000770651470 1078939820 /nfs/dbraw/zinc/93/98/20/1078939820.db2.gz MXCGJPPTXJIVTK-UHFFFAOYSA-N 2 2 415.494 2.047 20 0 HEADLP COC(=O)c1cc(C(=O)OC)n(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000770651470 1078939825 /nfs/dbraw/zinc/93/98/25/1078939825.db2.gz MXCGJPPTXJIVTK-UHFFFAOYSA-N 2 2 415.494 2.047 20 0 HEADLP NC(=O)C1([NH2+]CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCCC1 ZINC000746474837 1079029175 /nfs/dbraw/zinc/02/91/75/1079029175.db2.gz CQSYHUFIXLOVQG-UHFFFAOYSA-N 2 2 420.557 2.308 20 0 HEADLP COc1ccc(CN2CC[C@@H]([NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)CC2=O)cc1 ZINC001168938375 1079079768 /nfs/dbraw/zinc/07/97/68/1079079768.db2.gz BOQXFPVEBXWGPP-HXUWFJFHSA-N 2 2 409.534 2.415 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(=O)n3c(n1)CN(C(=O)OC(C)(C)C)CCC3)C2 ZINC001169094914 1079127445 /nfs/dbraw/zinc/12/74/45/1079127445.db2.gz NJKSTHPLMXMHPL-XGWQRUHWSA-N 2 2 417.554 2.099 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(=O)n3c(n1)CN(C(=O)OC(C)(C)C)CCC3)C2 ZINC001169094914 1079127449 /nfs/dbraw/zinc/12/74/49/1079127449.db2.gz NJKSTHPLMXMHPL-XGWQRUHWSA-N 2 2 417.554 2.099 20 0 HEADLP CC(C)OCCC[N@H+](C)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000740856222 1076269291 /nfs/dbraw/zinc/26/92/91/1076269291.db2.gz BOIZQSDBQZIGOW-JOCHJYFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC(C)OCCC[N@@H+](C)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000740856222 1076269299 /nfs/dbraw/zinc/26/92/99/1076269299.db2.gz BOIZQSDBQZIGOW-JOCHJYFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC(C)OCCC[NH+](C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000740856222 1076269308 /nfs/dbraw/zinc/26/93/08/1076269308.db2.gz BOIZQSDBQZIGOW-JOCHJYFZSA-N 2 2 402.539 2.277 20 0 HEADLP CC(C)OCCC[NH+](C)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000740856222 1076269320 /nfs/dbraw/zinc/26/93/20/1076269320.db2.gz BOIZQSDBQZIGOW-JOCHJYFZSA-N 2 2 402.539 2.277 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)c1 ZINC000741028663 1076343278 /nfs/dbraw/zinc/34/32/78/1076343278.db2.gz HOPGSLZZBOWMFD-FQEVSTJZSA-N 2 2 401.551 2.447 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nccc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022044 /nfs/dbraw/zinc/02/20/44/1077022044.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nccc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022050 /nfs/dbraw/zinc/02/20/50/1077022050.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2ccnc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022056 /nfs/dbraw/zinc/02/20/56/1077022056.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2ccnc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022063 /nfs/dbraw/zinc/02/20/63/1077022063.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300810 1077022068 /nfs/dbraw/zinc/02/20/68/1077022068.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2nc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300810 1077022074 /nfs/dbraw/zinc/02/20/74/1077022074.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2cc[nH+]c(NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022083 /nfs/dbraw/zinc/02/20/83/1077022083.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@H](CNc2cc[nH+]c(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022091 /nfs/dbraw/zinc/02/20/91/1077022091.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 3 2 420.602 2.014 20 0 HEADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000743622591 1077076865 /nfs/dbraw/zinc/07/68/65/1077076865.db2.gz IXRKIZPUQVRMGF-OAQYLSRUSA-N 2 2 403.571 2.131 20 0 HEADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000743622591 1077076872 /nfs/dbraw/zinc/07/68/72/1077076872.db2.gz IXRKIZPUQVRMGF-OAQYLSRUSA-N 2 2 403.571 2.131 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743594013 1077077429 /nfs/dbraw/zinc/07/74/29/1077077429.db2.gz LFSGBEINTIDSNL-PMACEKPBSA-N 2 2 401.555 2.193 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000743594013 1077077435 /nfs/dbraw/zinc/07/74/35/1077077435.db2.gz LFSGBEINTIDSNL-PMACEKPBSA-N 2 2 401.555 2.193 20 0 HEADLP Cc1[nH+]ccn1CCCC(=O)N1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000743727879 1077097902 /nfs/dbraw/zinc/09/79/02/1077097902.db2.gz WFWNNXXPMNPTKW-QGZVFWFLSA-N 2 2 400.527 2.016 20 0 HEADLP C[NH+]1CCC(CNC(=O)NCc2ccc(-n3ccnc3)nc2)([NH+]2CCCCC2)CC1 ZINC000745414430 1077820986 /nfs/dbraw/zinc/82/09/86/1077820986.db2.gz CRPPOVJZQULSSI-UHFFFAOYSA-N 2 2 411.554 2.017 20 0 HEADLP Cc1ccccc1C[NH+]1CCCN(C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000767115789 1079683435 /nfs/dbraw/zinc/68/34/35/1079683435.db2.gz KKQXRDKIMIUOHM-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccccc1C[NH+]1CCCN(C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000767115789 1079683452 /nfs/dbraw/zinc/68/34/52/1079683452.db2.gz KKQXRDKIMIUOHM-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000767115789 1079683473 /nfs/dbraw/zinc/68/34/73/1079683473.db2.gz KKQXRDKIMIUOHM-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000767115789 1079683495 /nfs/dbraw/zinc/68/34/95/1079683495.db2.gz KKQXRDKIMIUOHM-HXUWFJFHSA-N 2 2 419.591 2.010 20 0 HEADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](c3nc4c(s3)CCCC4)C1)C2=O ZINC000768490138 1080602676 /nfs/dbraw/zinc/60/26/76/1080602676.db2.gz NEHIXZAUHDXWAH-OAHLLOKOSA-N 2 2 417.579 2.175 20 0 HEADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](c3nc4c(s3)CCCC4)C1)C2=O ZINC000768490138 1080602680 /nfs/dbraw/zinc/60/26/80/1080602680.db2.gz NEHIXZAUHDXWAH-OAHLLOKOSA-N 2 2 417.579 2.175 20 0 HEADLP C[NH+](C)Cc1cc(CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)ccc1F ZINC000769214407 1081004765 /nfs/dbraw/zinc/00/47/65/1081004765.db2.gz ZHRPIMORNGBPRF-UHFFFAOYSA-N 2 2 422.545 2.493 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@H](CC(C)(C)C)CC3=O)CC2)CC1 ZINC000787217343 1081052541 /nfs/dbraw/zinc/05/25/41/1081052541.db2.gz AJEKESZCOVRLRQ-FQEVSTJZSA-N 2 2 406.615 2.495 20 0 HEADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000769383608 1081059102 /nfs/dbraw/zinc/05/91/02/1081059102.db2.gz KBJBAGIEFHZJAC-IBGZPJMESA-N 2 2 405.539 2.497 20 0 HEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164636071 719135446 /nfs/dbraw/zinc/13/54/46/719135446.db2.gz YEEKYLJBMJDNBR-HNNXBMFYSA-N 2 2 403.552 2.245 20 0 HEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819056 720186925 /nfs/dbraw/zinc/18/69/25/720186925.db2.gz VUVSNOBQPCEBHD-NQIIRXRSSA-N 2 2 403.596 2.215 20 0 HEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001164819056 720186942 /nfs/dbraw/zinc/18/69/42/720186942.db2.gz VUVSNOBQPCEBHD-NQIIRXRSSA-N 2 2 403.596 2.215 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752805 720807947 /nfs/dbraw/zinc/80/79/47/720807947.db2.gz ZYOYEQNZMNBPBB-DFQSSKMNSA-N 2 2 408.554 2.330 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752805 720807949 /nfs/dbraw/zinc/80/79/49/720807949.db2.gz ZYOYEQNZMNBPBB-DFQSSKMNSA-N 2 2 408.554 2.330 20 0 HEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746689 720808092 /nfs/dbraw/zinc/80/80/92/720808092.db2.gz MOPHPDJQYJIHHI-VAMGGRTRSA-N 2 2 408.554 2.048 20 0 HEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746689 720808094 /nfs/dbraw/zinc/80/80/94/720808094.db2.gz MOPHPDJQYJIHHI-VAMGGRTRSA-N 2 2 408.554 2.048 20 0 HEADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895454 721430232 /nfs/dbraw/zinc/43/02/32/721430232.db2.gz PEBMHEQTPDWKTI-VGOFRKELSA-N 2 2 420.001 2.146 20 0 HEADLP C[N@H+](Cc1ccc(N2CCO[C@]3(C2)COCC[NH+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914967 721796383 /nfs/dbraw/zinc/79/63/83/721796383.db2.gz SGWZBYRZMLCAFS-XMMPIXPASA-N 2 2 423.561 2.179 20 0 HEADLP C[N@@H+](Cc1ccc(N2CCO[C@]3(C2)COCC[NH+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914967 721796387 /nfs/dbraw/zinc/79/63/87/721796387.db2.gz SGWZBYRZMLCAFS-XMMPIXPASA-N 2 2 423.561 2.179 20 0 HEADLP C[NH+](Cc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914967 721796389 /nfs/dbraw/zinc/79/63/89/721796389.db2.gz SGWZBYRZMLCAFS-XMMPIXPASA-N 2 2 423.561 2.179 20 0 HEADLP C[NH+](Cc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914967 721796393 /nfs/dbraw/zinc/79/63/93/721796393.db2.gz SGWZBYRZMLCAFS-XMMPIXPASA-N 2 2 423.561 2.179 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)[nH+]2)CC1 ZINC001164959328 722029249 /nfs/dbraw/zinc/02/92/49/722029249.db2.gz QYYSNPFUWXZBFL-OPYAIIAOSA-N 2 2 413.497 2.183 20 0 HEADLP CCN(CC)c1ccnc([C@@H]2COCCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)n1 ZINC001164999184 722226780 /nfs/dbraw/zinc/22/67/80/722226780.db2.gz JOUANVDKFLGUBZ-SFHVURJKSA-N 2 2 411.554 2.048 20 0 HEADLP CCN(CC)c1ccnc([C@H]2COCCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)n1 ZINC001164999181 722226843 /nfs/dbraw/zinc/22/68/43/722226843.db2.gz JOUANVDKFLGUBZ-GOSISDBHSA-N 2 2 411.554 2.048 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000745789463 1078645083 /nfs/dbraw/zinc/64/50/83/1078645083.db2.gz LYBOEHOJGGQDJY-UHFFFAOYSA-N 2 2 411.591 2.148 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)CC2)cc1 ZINC000745869116 1078668658 /nfs/dbraw/zinc/66/86/58/1078668658.db2.gz HQFCZYBPJZCBTB-QFIPXVFZSA-N 2 2 417.598 2.474 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252081 1078832420 /nfs/dbraw/zinc/83/24/20/1078832420.db2.gz BJUDFJVETRAQMF-XYJFISCASA-N 2 2 424.586 2.032 20 0 HEADLP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252081 1078832421 /nfs/dbraw/zinc/83/24/21/1078832421.db2.gz BJUDFJVETRAQMF-XYJFISCASA-N 2 2 424.586 2.032 20 0 HEADLP CCOC1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000746505057 1078848559 /nfs/dbraw/zinc/84/85/59/1078848559.db2.gz CEGYHVQQKVCJRK-JOCHJYFZSA-N 2 2 400.523 2.031 20 0 HEADLP CCOC1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000746505057 1078848561 /nfs/dbraw/zinc/84/85/61/1078848561.db2.gz CEGYHVQQKVCJRK-JOCHJYFZSA-N 2 2 400.523 2.031 20 0 HEADLP CCOc1ccccc1N1C(=O)C(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000766380021 1078928370 /nfs/dbraw/zinc/92/83/70/1078928370.db2.gz DACYKYXXVPAZIN-UHFFFAOYSA-N 2 2 416.522 2.392 20 0 HEADLP COc1ccc(CN2CC[C@H]([N@@H+]3CCc4onc(Cn5cc[nH+]c5)c4C3)CC2=O)cc1 ZINC001168928735 1079087297 /nfs/dbraw/zinc/08/72/97/1079087297.db2.gz DOYBSNKIHXIQDB-SFHVURJKSA-N 2 2 421.501 2.477 20 0 HEADLP COc1ccc(CN2CC[C@H]([N@H+]3CCc4onc(Cn5cc[nH+]c5)c4C3)CC2=O)cc1 ZINC001168928735 1079087301 /nfs/dbraw/zinc/08/73/01/1079087301.db2.gz DOYBSNKIHXIQDB-SFHVURJKSA-N 2 2 421.501 2.477 20 0 HEADLP C[NH+]1CCN(C(=O)c2ccnc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)c2)CC1 ZINC001168993135 1079095262 /nfs/dbraw/zinc/09/52/62/1079095262.db2.gz ZYHFAYKLVNPKJC-UHFFFAOYSA-N 2 2 412.925 2.353 20 0 HEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563485 1079100380 /nfs/dbraw/zinc/10/03/80/1079100380.db2.gz OOSAWCUDVOTUCH-WMLDXEAASA-N 2 2 420.501 2.196 20 0 HEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766563485 1079100382 /nfs/dbraw/zinc/10/03/82/1079100382.db2.gz OOSAWCUDVOTUCH-WMLDXEAASA-N 2 2 420.501 2.196 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)cc[nH+]1 ZINC001169128641 1079147612 /nfs/dbraw/zinc/14/76/12/1079147612.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128641 1079147601 /nfs/dbraw/zinc/14/76/01/1079147601.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128641 1079147602 /nfs/dbraw/zinc/14/76/02/1079147602.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)cc[nH+]1 ZINC001169128641 1079147607 /nfs/dbraw/zinc/14/76/07/1079147607.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 3 2 414.598 2.087 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160520 1079169981 /nfs/dbraw/zinc/16/99/81/1079169981.db2.gz HHNMIAPJOHXOCT-RSVWRCHESA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169160520 1079169983 /nfs/dbraw/zinc/16/99/83/1079169983.db2.gz HHNMIAPJOHXOCT-RSVWRCHESA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169160520 1079169987 /nfs/dbraw/zinc/16/99/87/1079169987.db2.gz HHNMIAPJOHXOCT-RSVWRCHESA-N 2 2 407.555 2.486 20 0 HEADLP COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169160520 1079169991 /nfs/dbraw/zinc/16/99/91/1079169991.db2.gz HHNMIAPJOHXOCT-RSVWRCHESA-N 2 2 407.555 2.486 20 0 HEADLP CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667548 1079436278 /nfs/dbraw/zinc/43/62/78/1079436278.db2.gz LXGWYTBLCAUGKP-HTAPYJJXSA-N 2 2 408.587 2.451 20 0 HEADLP CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667548 1079436289 /nfs/dbraw/zinc/43/62/89/1079436289.db2.gz LXGWYTBLCAUGKP-HTAPYJJXSA-N 2 2 408.587 2.451 20 0 HEADLP CC(C)[C@@H](C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+]1CCCCC1 ZINC000741011500 1076328044 /nfs/dbraw/zinc/32/80/44/1076328044.db2.gz DCSIGGRVOVNEJR-NRFANRHFSA-N 2 2 423.598 2.191 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)c3nnc4ccccn43)cc2)CC1 ZINC000741716030 1076590578 /nfs/dbraw/zinc/59/05/78/1076590578.db2.gz UNTJDNXQXNGZBT-QGZVFWFLSA-N 2 2 407.522 2.161 20 0 HEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743073914 1076943492 /nfs/dbraw/zinc/94/34/92/1076943492.db2.gz NZQOMWZKHCAOEZ-UHFFFAOYSA-N 2 2 418.510 2.173 20 0 HEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743073914 1076943516 /nfs/dbraw/zinc/94/35/16/1076943516.db2.gz NZQOMWZKHCAOEZ-UHFFFAOYSA-N 2 2 418.510 2.173 20 0 HEADLP C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000743179206 1076992645 /nfs/dbraw/zinc/99/26/45/1076992645.db2.gz DBVVQFQTSRWMNY-GOSISDBHSA-N 2 2 403.571 2.401 20 0 HEADLP C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)CCO1 ZINC000743179206 1076992654 /nfs/dbraw/zinc/99/26/54/1076992654.db2.gz DBVVQFQTSRWMNY-GOSISDBHSA-N 2 2 403.571 2.401 20 0 HEADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766331736 1077815364 /nfs/dbraw/zinc/81/53/64/1077815364.db2.gz QQPHDUKWMYVKCN-MSOLQXFVSA-N 2 2 417.554 2.156 20 0 HEADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931690 1079510773 /nfs/dbraw/zinc/51/07/73/1079510773.db2.gz MDIZXBRABNHMJF-CEMLEFRQSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000766931690 1079510782 /nfs/dbraw/zinc/51/07/82/1079510782.db2.gz MDIZXBRABNHMJF-CEMLEFRQSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931690 1079510790 /nfs/dbraw/zinc/51/07/90/1079510790.db2.gz MDIZXBRABNHMJF-CEMLEFRQSA-N 2 2 400.567 2.403 20 0 HEADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000766931690 1079510796 /nfs/dbraw/zinc/51/07/96/1079510796.db2.gz MDIZXBRABNHMJF-CEMLEFRQSA-N 2 2 400.567 2.403 20 0 HEADLP CN(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763811 1079519022 /nfs/dbraw/zinc/51/90/22/1079519022.db2.gz FFGXYJNBPZKUQB-RBUKOAKNSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763811 1079519027 /nfs/dbraw/zinc/51/90/27/1079519027.db2.gz FFGXYJNBPZKUQB-RBUKOAKNSA-N 2 2 423.602 2.196 20 0 HEADLP C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113558 1079666458 /nfs/dbraw/zinc/66/64/58/1079666458.db2.gz WHHVVYZUABTXCI-XLIONFOSSA-N 2 2 419.591 2.136 20 0 HEADLP C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113558 1079666462 /nfs/dbraw/zinc/66/64/62/1079666462.db2.gz WHHVVYZUABTXCI-XLIONFOSSA-N 2 2 419.591 2.136 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376177 1079852932 /nfs/dbraw/zinc/85/29/32/1079852932.db2.gz HGTFRNMKXFMQGL-SQNIBIBYSA-N 2 2 423.602 2.242 20 0 HEADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000772376177 1079852935 /nfs/dbraw/zinc/85/29/35/1079852935.db2.gz HGTFRNMKXFMQGL-SQNIBIBYSA-N 2 2 423.602 2.242 20 0 HEADLP CCOC(=O)C1C(C[N@H+](C)CCCn2cc[nH+]c2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000767450772 1079878073 /nfs/dbraw/zinc/87/80/73/1079878073.db2.gz VCANGCWJESPORP-FQEVSTJZSA-N 2 2 411.506 2.385 20 0 HEADLP CCOC(=O)C1C(C[N@@H+](C)CCCn2cc[nH+]c2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000767450772 1079878076 /nfs/dbraw/zinc/87/80/76/1079878076.db2.gz VCANGCWJESPORP-FQEVSTJZSA-N 2 2 411.506 2.385 20 0 HEADLP CCOC(=O)C1=C(C[N@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@H]1c1ccccc1 ZINC000767450772 1079878079 /nfs/dbraw/zinc/87/80/79/1079878079.db2.gz VCANGCWJESPORP-FQEVSTJZSA-N 2 2 411.506 2.385 20 0 HEADLP CCOC(=O)C1=C(C[N@@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@H]1c1ccccc1 ZINC000767450772 1079878084 /nfs/dbraw/zinc/87/80/84/1079878084.db2.gz VCANGCWJESPORP-FQEVSTJZSA-N 2 2 411.506 2.385 20 0 HEADLP Cc1[nH+]c2c(n1-c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)CC[NH2+]CC2 ZINC001164428347 718949749 /nfs/dbraw/zinc/94/97/49/718949749.db2.gz KJUFALYHSSTDLJ-UHFFFAOYSA-N 2 2 424.574 2.195 20 0 HEADLP CCc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(N2CCOCC2)[nH+]1 ZINC001164650418 719313090 /nfs/dbraw/zinc/31/30/90/719313090.db2.gz XYFGWPOKFKQBCS-UHFFFAOYSA-N 2 2 413.570 2.277 20 0 HEADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC001164812953 720237051 /nfs/dbraw/zinc/23/70/51/720237051.db2.gz KYKGLGUQHUHZGN-UHFFFAOYSA-N 2 2 411.554 2.274 20 0 HEADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC001164812953 720237054 /nfs/dbraw/zinc/23/70/54/720237054.db2.gz KYKGLGUQHUHZGN-UHFFFAOYSA-N 2 2 411.554 2.274 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829654 720316570 /nfs/dbraw/zinc/31/65/70/720316570.db2.gz MYUQTMHIEJQFAT-OALUTQOASA-N 2 2 414.550 2.397 20 0 HEADLP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839557 720565556 /nfs/dbraw/zinc/56/55/56/720565556.db2.gz QMRVPSRSVSAULE-FDFHNCONSA-N 3 2 423.609 2.408 20 0 HEADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839557 720565575 /nfs/dbraw/zinc/56/55/75/720565575.db2.gz QMRVPSRSVSAULE-FDFHNCONSA-N 3 2 423.609 2.408 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752811 720807905 /nfs/dbraw/zinc/80/79/05/720807905.db2.gz ZYOYEQNZMNBPBB-YSIASYRMSA-N 2 2 408.554 2.330 20 0 HEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC1CC1 ZINC001164752811 720807908 /nfs/dbraw/zinc/80/79/08/720807908.db2.gz ZYOYEQNZMNBPBB-YSIASYRMSA-N 2 2 408.554 2.330 20 0 HEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751827 720846285 /nfs/dbraw/zinc/84/62/85/720846285.db2.gz ZASHZOBRTXMREO-PCCBWWKXSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751827 720846286 /nfs/dbraw/zinc/84/62/86/720846286.db2.gz ZASHZOBRTXMREO-PCCBWWKXSA-N 2 2 422.581 2.438 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164894477 721378598 /nfs/dbraw/zinc/37/85/98/721378598.db2.gz YHGFDWNIKPCEHZ-REWPJTCUSA-N 2 2 414.598 2.151 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164894477 721378604 /nfs/dbraw/zinc/37/86/04/721378604.db2.gz YHGFDWNIKPCEHZ-REWPJTCUSA-N 2 2 414.598 2.151 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@@H]2CCCO[C@H]12 ZINC001164800389 721569968 /nfs/dbraw/zinc/56/99/68/721569968.db2.gz FIOPSKUUKUCOTM-VIZSFHNOSA-N 2 2 409.534 2.181 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)[C@@H]2CCCO[C@H]12 ZINC001164800389 721569972 /nfs/dbraw/zinc/56/99/72/721569972.db2.gz FIOPSKUUKUCOTM-VIZSFHNOSA-N 2 2 409.534 2.181 20 0 HEADLP CC[N@@H+]1CCO[C@@H](C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000746103172 1078787657 /nfs/dbraw/zinc/78/76/57/1078787657.db2.gz QOCZBMIQJIOQOS-JOCHJYFZSA-N 2 2 408.546 2.146 20 0 HEADLP CC[N@H+]1CCO[C@@H](C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000746103172 1078787659 /nfs/dbraw/zinc/78/76/59/1078787659.db2.gz QOCZBMIQJIOQOS-JOCHJYFZSA-N 2 2 408.546 2.146 20 0 HEADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)CC)ccc1F ZINC000746192409 1078821238 /nfs/dbraw/zinc/82/12/38/1078821238.db2.gz KHSZSUJNCBNSRC-INIZCTEOSA-N 2 2 413.559 2.107 20 0 HEADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)CC)ccc1F ZINC000746192409 1078821240 /nfs/dbraw/zinc/82/12/40/1078821240.db2.gz KHSZSUJNCBNSRC-INIZCTEOSA-N 2 2 413.559 2.107 20 0 HEADLP COCC[N@H+](CC(C)C)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746502406 1078848181 /nfs/dbraw/zinc/84/81/81/1078848181.db2.gz OMFTUVOETZJMHC-JOCHJYFZSA-N 2 2 402.539 2.135 20 0 HEADLP COCC[N@@H+](CC(C)C)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746502406 1078848185 /nfs/dbraw/zinc/84/81/85/1078848185.db2.gz OMFTUVOETZJMHC-JOCHJYFZSA-N 2 2 402.539 2.135 20 0 HEADLP COCC[NH+](CC(C)C)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746502406 1078848189 /nfs/dbraw/zinc/84/81/89/1078848189.db2.gz OMFTUVOETZJMHC-JOCHJYFZSA-N 2 2 402.539 2.135 20 0 HEADLP COCC[NH+](CC(C)C)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746502406 1078848192 /nfs/dbraw/zinc/84/81/92/1078848192.db2.gz OMFTUVOETZJMHC-JOCHJYFZSA-N 2 2 402.539 2.135 20 0 HEADLP C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000746477814 1079032220 /nfs/dbraw/zinc/03/22/20/1079032220.db2.gz GHRZMODVQRRUGZ-OAHLLOKOSA-N 2 2 423.989 2.478 20 0 HEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020336 1079100428 /nfs/dbraw/zinc/10/04/28/1079100428.db2.gz OLFWNCPEZXHCPC-SJORKVTESA-N 2 2 414.616 2.219 20 0 HEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020336 1079100430 /nfs/dbraw/zinc/10/04/30/1079100430.db2.gz OLFWNCPEZXHCPC-SJORKVTESA-N 2 2 414.616 2.219 20 0 HEADLP CC[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746507080 1079294579 /nfs/dbraw/zinc/29/45/79/1079294579.db2.gz SBKUMLIPRSMALT-DENIHFKCSA-N 2 2 400.523 2.031 20 0 HEADLP CC[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000746507080 1079294589 /nfs/dbraw/zinc/29/45/89/1079294589.db2.gz SBKUMLIPRSMALT-DENIHFKCSA-N 2 2 400.523 2.031 20 0 HEADLP CC[NH+](C[C@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000746507080 1079294593 /nfs/dbraw/zinc/29/45/93/1079294593.db2.gz SBKUMLIPRSMALT-DENIHFKCSA-N 2 2 400.523 2.031 20 0 HEADLP CC[NH+](C[C@H]1CCCO1)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000746507080 1079294597 /nfs/dbraw/zinc/29/45/97/1079294597.db2.gz SBKUMLIPRSMALT-DENIHFKCSA-N 2 2 400.523 2.031 20 0 HEADLP C[NH+]1CCN(c2nccnc2N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC1 ZINC001169516316 1079320654 /nfs/dbraw/zinc/32/06/54/1079320654.db2.gz GIQAXVXYNGNYNW-UXHICEINSA-N 2 2 424.549 2.100 20 0 HEADLP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001169668925 1079362858 /nfs/dbraw/zinc/36/28/58/1079362858.db2.gz KZONCCPFABWLJQ-LJQANCHMSA-N 2 2 402.539 2.107 20 0 HEADLP CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739726932 1076078965 /nfs/dbraw/zinc/07/89/65/1076078965.db2.gz HDOQLZMNDIWPAI-FHWLQOOXSA-N 2 2 408.587 2.307 20 0 HEADLP CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739726932 1076078969 /nfs/dbraw/zinc/07/89/69/1076078969.db2.gz HDOQLZMNDIWPAI-FHWLQOOXSA-N 2 2 408.587 2.307 20 0 HEADLP CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689739 1076587665 /nfs/dbraw/zinc/58/76/65/1076587665.db2.gz FSCDOOPWHOWIQE-DENIHFKCSA-N 2 2 412.578 2.448 20 0 HEADLP CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689739 1076587674 /nfs/dbraw/zinc/58/76/74/1076587674.db2.gz FSCDOOPWHOWIQE-DENIHFKCSA-N 2 2 412.578 2.448 20 0 HEADLP CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000742664662 1076862026 /nfs/dbraw/zinc/86/20/26/1076862026.db2.gz VBEFQPNBVPIDAV-IBGZPJMESA-N 2 2 408.587 2.260 20 0 HEADLP CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000742664662 1076862028 /nfs/dbraw/zinc/86/20/28/1076862028.db2.gz VBEFQPNBVPIDAV-IBGZPJMESA-N 2 2 408.587 2.260 20 0 HEADLP CN(C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763803 1079518759 /nfs/dbraw/zinc/51/87/59/1079518759.db2.gz FFGXYJNBPZKUQB-MOPGFXCFSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763803 1079518771 /nfs/dbraw/zinc/51/87/71/1079518771.db2.gz FFGXYJNBPZKUQB-MOPGFXCFSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771769290 1079522980 /nfs/dbraw/zinc/52/29/80/1079522980.db2.gz VTKZMYCBIOCKPH-KRWDZBQOSA-N 2 2 411.591 2.100 20 0 HEADLP CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771769290 1079522988 /nfs/dbraw/zinc/52/29/88/1079522988.db2.gz VTKZMYCBIOCKPH-KRWDZBQOSA-N 2 2 411.591 2.100 20 0 HEADLP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000772044340 1079666358 /nfs/dbraw/zinc/66/63/58/1079666358.db2.gz HFUMHODPDBQYFC-HXUWFJFHSA-N 2 2 419.591 2.056 20 0 HEADLP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000772044340 1079666363 /nfs/dbraw/zinc/66/63/63/1079666363.db2.gz HFUMHODPDBQYFC-HXUWFJFHSA-N 2 2 419.591 2.056 20 0 HEADLP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000785575820 1080083890 /nfs/dbraw/zinc/08/38/90/1080083890.db2.gz XJIQWYSTHCALQG-UHFFFAOYSA-N 2 2 412.534 2.481 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000785579241 1080084474 /nfs/dbraw/zinc/08/44/74/1080084474.db2.gz GOHXWMBEGVWVPF-UHFFFAOYSA-N 2 2 410.518 2.235 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423997 1081068788 /nfs/dbraw/zinc/06/87/88/1081068788.db2.gz IKLMZYIHKQNKEI-IEBWSBKVSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423997 1081068799 /nfs/dbraw/zinc/06/87/99/1081068799.db2.gz IKLMZYIHKQNKEI-IEBWSBKVSA-N 2 2 418.586 2.354 20 0 HEADLP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528740 1081110253 /nfs/dbraw/zinc/11/02/53/1081110253.db2.gz YXIVRGBMWAMPOH-YLJYHZDGSA-N 2 2 401.551 2.468 20 0 HEADLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528740 1081110258 /nfs/dbraw/zinc/11/02/58/1081110258.db2.gz YXIVRGBMWAMPOH-YLJYHZDGSA-N 2 2 401.551 2.468 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)[nH+]2)CC1 ZINC001164646620 719294228 /nfs/dbraw/zinc/29/42/28/719294228.db2.gz PBXSBFOJNKTHEX-JTAQYXEDSA-N 2 2 409.534 2.181 20 0 HEADLP Cn1nnc2c1CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)[C@H]2COCC[NH+]1CCCC1 ZINC001164719658 720204937 /nfs/dbraw/zinc/20/49/37/720204937.db2.gz SARNXXWUACBTAM-FQEVSTJZSA-N 2 2 421.549 2.396 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)[nH+]2)CC1 ZINC001164878059 721249498 /nfs/dbraw/zinc/24/94/98/721249498.db2.gz SBVCRLNCTJWGMP-ACRUOGEOSA-N 2 2 409.534 2.434 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)[nH+]2)CC1 ZINC001164877815 721313433 /nfs/dbraw/zinc/31/34/33/721313433.db2.gz JUCWKCBEPJWVRD-HSALFYBXSA-N 2 2 409.534 2.291 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)[nH+]2)CC1 ZINC001164959329 722029119 /nfs/dbraw/zinc/02/91/19/722029119.db2.gz QYYSNPFUWXZBFL-UEXGIBASSA-N 2 2 413.497 2.183 20 0 HEADLP c1ccc(C[NH+]2CCc3c(ncnc3N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)C2)cc1 ZINC001164967646 722071202 /nfs/dbraw/zinc/07/12/02/722071202.db2.gz SMPOXOKNUOCTMV-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP c1ccc(C[NH+]2CCc3c(ncnc3N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)C2)cc1 ZINC001164967646 722071204 /nfs/dbraw/zinc/07/12/04/722071204.db2.gz SMPOXOKNUOCTMV-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4C[NH+](CC5CC5)C[C@H](C3)O4)C2)cc1 ZINC001164967646 722071206 /nfs/dbraw/zinc/07/12/06/722071206.db2.gz SMPOXOKNUOCTMV-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4C[NH+](CC5CC5)C[C@H](C3)O4)C2)cc1 ZINC001164967646 722071208 /nfs/dbraw/zinc/07/12/08/722071208.db2.gz SMPOXOKNUOCTMV-OYRHEFFESA-N 2 2 405.546 2.334 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)([NH+]2CCCCC2)CC1 ZINC000745879467 1078682418 /nfs/dbraw/zinc/68/24/18/1078682418.db2.gz SFSMERYSTMNINS-SFHVURJKSA-N 2 2 423.602 2.245 20 0 HEADLP CCC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+](CC)CC3)cc2Cl)CC1 ZINC000746160238 1078812919 /nfs/dbraw/zinc/81/29/19/1078812919.db2.gz YUPIEAGAUZGRMW-UHFFFAOYSA-N 2 2 407.990 2.448 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000746304101 1078848145 /nfs/dbraw/zinc/84/81/45/1078848145.db2.gz HRVRXJCGXFRZCG-VWLOTQADSA-N 2 2 422.573 2.475 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000746304101 1078848149 /nfs/dbraw/zinc/84/81/49/1078848149.db2.gz HRVRXJCGXFRZCG-VWLOTQADSA-N 2 2 422.573 2.475 20 0 HEADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2cc(C)n(-c3cc(C)on3)c2=O)CC1 ZINC000766383195 1078931662 /nfs/dbraw/zinc/93/16/62/1078931662.db2.gz XCZOMAOQNCGROD-UHFFFAOYSA-N 2 2 405.543 2.272 20 0 HEADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2cc(C)n(-c3cc(C)on3)c2=O)CC1 ZINC000766383195 1078931672 /nfs/dbraw/zinc/93/16/72/1078931672.db2.gz XCZOMAOQNCGROD-UHFFFAOYSA-N 2 2 405.543 2.272 20 0 HEADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000766397317 1078951730 /nfs/dbraw/zinc/95/17/30/1078951730.db2.gz AYWBOJIVCBQUNF-UHFFFAOYSA-N 2 2 413.570 2.400 20 0 HEADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000746462125 1079014001 /nfs/dbraw/zinc/01/40/01/1079014001.db2.gz KCVRKOAGWTWKSE-UHFFFAOYSA-N 2 2 423.561 2.447 20 0 HEADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000746462125 1079014011 /nfs/dbraw/zinc/01/40/11/1079014011.db2.gz KCVRKOAGWTWKSE-UHFFFAOYSA-N 2 2 423.561 2.447 20 0 HEADLP CC(C)C[C@H](Cc1ccccc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001169070948 1079123822 /nfs/dbraw/zinc/12/38/22/1079123822.db2.gz VTYDBDLUCUPFOE-GIVPXCGWSA-N 2 2 411.550 2.059 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129884 1079150315 /nfs/dbraw/zinc/15/03/15/1079150315.db2.gz LHGANGVGFINBLD-SRYPRDQNSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169129884 1079150321 /nfs/dbraw/zinc/15/03/21/1079150321.db2.gz LHGANGVGFINBLD-SRYPRDQNSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169129884 1079150326 /nfs/dbraw/zinc/15/03/26/1079150326.db2.gz LHGANGVGFINBLD-SRYPRDQNSA-N 2 2 411.550 2.276 20 0 HEADLP CN(Cc1ccccn1)C(=O)C1=NO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169129884 1079150328 /nfs/dbraw/zinc/15/03/28/1079150328.db2.gz LHGANGVGFINBLD-SRYPRDQNSA-N 2 2 411.550 2.276 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1C ZINC000771215625 1079231068 /nfs/dbraw/zinc/23/10/68/1079231068.db2.gz XKRRUPNYBHMRCV-UHFFFAOYSA-N 2 2 403.571 2.407 20 0 HEADLP C[NH+](C)CC1CC[NH+](Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)CC1 ZINC000738075743 1075958592 /nfs/dbraw/zinc/95/85/92/1075958592.db2.gz IHJCHKAPYXQXKC-UHFFFAOYSA-N 2 2 422.521 2.044 20 0 HEADLP C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738112094 1075966716 /nfs/dbraw/zinc/96/67/16/1075966716.db2.gz SABWPLZHOYTSSV-QZTJIDSGSA-N 2 2 406.571 2.125 20 0 HEADLP O=C1CCCCN1[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000740877175 1076278674 /nfs/dbraw/zinc/27/86/74/1076278674.db2.gz DZWLYYIEFRUXKD-SFTDATJTSA-N 2 2 404.599 2.330 20 0 HEADLP O=C1CCCCN1[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000740877175 1076278681 /nfs/dbraw/zinc/27/86/81/1076278681.db2.gz DZWLYYIEFRUXKD-SFTDATJTSA-N 2 2 404.599 2.330 20 0 HEADLP C[C@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741020175 1076338783 /nfs/dbraw/zinc/33/87/83/1076338783.db2.gz YDFBWXWPZVRBSS-FGTMMUONSA-N 2 2 403.523 2.262 20 0 HEADLP C[C@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741020175 1076338793 /nfs/dbraw/zinc/33/87/93/1076338793.db2.gz YDFBWXWPZVRBSS-FGTMMUONSA-N 2 2 403.523 2.262 20 0 HEADLP CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689742 1076588227 /nfs/dbraw/zinc/58/82/27/1076588227.db2.gz FSCDOOPWHOWIQE-UGKGYDQZSA-N 2 2 412.578 2.448 20 0 HEADLP CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000741689742 1076588231 /nfs/dbraw/zinc/58/82/31/1076588231.db2.gz FSCDOOPWHOWIQE-UGKGYDQZSA-N 2 2 412.578 2.448 20 0 HEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742379920 1076835006 /nfs/dbraw/zinc/83/50/06/1076835006.db2.gz CWGVSUNJUINXSF-UYTSQGDYSA-N 2 2 400.976 2.309 20 0 HEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000742379920 1076835009 /nfs/dbraw/zinc/83/50/09/1076835009.db2.gz CWGVSUNJUINXSF-UYTSQGDYSA-N 2 2 400.976 2.309 20 0 HEADLP COC(=O)N(C)Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000743160053 1076979664 /nfs/dbraw/zinc/97/96/64/1076979664.db2.gz NLTPDCPXINLRLO-UHFFFAOYSA-N 2 2 405.543 2.375 20 0 HEADLP COC(=O)N(C)Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000743160053 1076979678 /nfs/dbraw/zinc/97/96/78/1076979678.db2.gz NLTPDCPXINLRLO-UHFFFAOYSA-N 2 2 405.543 2.375 20 0 HEADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000743403355 1077043725 /nfs/dbraw/zinc/04/37/25/1077043725.db2.gz ZMVKPRJOBZSOFU-UHFFFAOYSA-N 2 2 413.522 2.311 20 0 HEADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000743403355 1077043728 /nfs/dbraw/zinc/04/37/28/1077043728.db2.gz ZMVKPRJOBZSOFU-UHFFFAOYSA-N 2 2 413.522 2.311 20 0 HEADLP CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743873262 1077157046 /nfs/dbraw/zinc/15/70/46/1077157046.db2.gz MFKJCQQSUHVYMP-UHFFFAOYSA-N 2 2 416.566 2.422 20 0 HEADLP CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743873262 1077157050 /nfs/dbraw/zinc/15/70/50/1077157050.db2.gz MFKJCQQSUHVYMP-UHFFFAOYSA-N 2 2 416.566 2.422 20 0 HEADLP C[C@H]1CCC[C@H](C)C12NC(=O)N(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744439708 1077395144 /nfs/dbraw/zinc/39/51/44/1077395144.db2.gz CIMGLSYBVAUDDM-ROUUACIJSA-N 2 2 406.571 2.267 20 0 HEADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766331740 1077815327 /nfs/dbraw/zinc/81/53/27/1077815327.db2.gz QQPHDUKWMYVKCN-ZWKOTPCHSA-N 2 2 417.554 2.156 20 0 HEADLP CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771765674 1079521004 /nfs/dbraw/zinc/52/10/04/1079521004.db2.gz DHRIANJRGVBURY-OALUTQOASA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771765674 1079521013 /nfs/dbraw/zinc/52/10/13/1079521013.db2.gz DHRIANJRGVBURY-OALUTQOASA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771767941 1079522322 /nfs/dbraw/zinc/52/23/22/1079522322.db2.gz YMRCWJJQVIGSJT-IBGZPJMESA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771767941 1079522329 /nfs/dbraw/zinc/52/23/29/1079522329.db2.gz YMRCWJJQVIGSJT-IBGZPJMESA-N 2 2 423.602 2.196 20 0 HEADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000785581288 1080085115 /nfs/dbraw/zinc/08/51/15/1080085115.db2.gz VJTDVSDHLZBUIA-HXUWFJFHSA-N 2 2 409.534 2.038 20 0 HEADLP O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000767854549 1080175127 /nfs/dbraw/zinc/17/51/27/1080175127.db2.gz GWRZVQTYKCWXOX-UHFFFAOYSA-N 2 2 415.578 2.121 20 0 HEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(O)(c4ccccc4)CC3)CC2)CC1 ZINC000768312229 1080482439 /nfs/dbraw/zinc/48/24/39/1080482439.db2.gz VKEUNBIKTDQFJC-UHFFFAOYSA-N 2 2 400.567 2.238 20 0 HEADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)C1 ZINC000769382658 1081058944 /nfs/dbraw/zinc/05/89/44/1081058944.db2.gz ZXYKUSXSYLCHGO-JOCHJYFZSA-N 2 2 409.578 2.283 20 0 HEADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)C1 ZINC000769382658 1081058952 /nfs/dbraw/zinc/05/89/52/1081058952.db2.gz ZXYKUSXSYLCHGO-JOCHJYFZSA-N 2 2 409.578 2.283 20 0 HEADLP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528739 1081110329 /nfs/dbraw/zinc/11/03/29/1081110329.db2.gz YXIVRGBMWAMPOH-XLIONFOSSA-N 2 2 401.551 2.468 20 0 HEADLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC(=O)C1CC1 ZINC000769528739 1081110340 /nfs/dbraw/zinc/11/03/40/1081110340.db2.gz YXIVRGBMWAMPOH-XLIONFOSSA-N 2 2 401.551 2.468 20 0 HEADLP Cn1nnc2c1CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719660 720204971 /nfs/dbraw/zinc/20/49/71/720204971.db2.gz SARNXXWUACBTAM-HXUWFJFHSA-N 2 2 421.549 2.396 20 0 HEADLP Cc1c[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1N1CCCC1 ZINC001164817288 720285951 /nfs/dbraw/zinc/28/59/51/720285951.db2.gz CDKNTJHVJDBGIL-UXHICEINSA-N 2 2 412.582 2.297 20 0 HEADLP CC(C)Oc1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828886 720457517 /nfs/dbraw/zinc/45/75/17/720457517.db2.gz BXOYXNIBBYLTLK-GOSISDBHSA-N 2 2 415.538 2.055 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738760 720827478 /nfs/dbraw/zinc/82/74/78/720827478.db2.gz GGABAKWKGNSCQM-VAMGGRTRSA-N 2 2 424.549 2.456 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738760 720827479 /nfs/dbraw/zinc/82/74/79/720827479.db2.gz GGABAKWKGNSCQM-VAMGGRTRSA-N 2 2 424.549 2.456 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748910 720843169 /nfs/dbraw/zinc/84/31/69/720843169.db2.gz VCNHIIXDXALOMD-XUVXKRRUSA-N 2 2 409.538 2.319 20 0 HEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748910 720843171 /nfs/dbraw/zinc/84/31/71/720843171.db2.gz VCNHIIXDXALOMD-XUVXKRRUSA-N 2 2 409.538 2.319 20 0 HEADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)C1 ZINC001164877161 721291179 /nfs/dbraw/zinc/29/11/79/721291179.db2.gz LVQOEMIASDRCMN-UHFFFAOYSA-N 2 2 411.550 2.059 20 0 HEADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)C1 ZINC001164877161 721291180 /nfs/dbraw/zinc/29/11/80/721291180.db2.gz LVQOEMIASDRCMN-UHFFFAOYSA-N 2 2 411.550 2.059 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887862 721378986 /nfs/dbraw/zinc/37/89/86/721378986.db2.gz IRBLOXYCBNOUPG-UGKGYDQZSA-N 2 2 402.587 2.007 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164887862 721378990 /nfs/dbraw/zinc/37/89/90/721378990.db2.gz IRBLOXYCBNOUPG-UGKGYDQZSA-N 2 2 402.587 2.007 20 0 HEADLP COc1ccc2c(cc[nH+]c2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001164998099 722231229 /nfs/dbraw/zinc/23/12/29/722231229.db2.gz XKTHUKYNIPWVNY-UHFFFAOYSA-N 2 2 404.518 2.390 20 0 HEADLP CC(C)OC(=O)N1CCC(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000745817382 1078659292 /nfs/dbraw/zinc/65/92/92/1078659292.db2.gz LHHKTPSCQKPUPQ-UHFFFAOYSA-N 2 2 423.602 2.245 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)CC2)cc1 ZINC000745869115 1078668644 /nfs/dbraw/zinc/66/86/44/1078668644.db2.gz HQFCZYBPJZCBTB-JOCHJYFZSA-N 2 2 417.598 2.474 20 0 HEADLP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000746112856 1078791994 /nfs/dbraw/zinc/79/19/94/1078791994.db2.gz VLXXSAFUPKGSSE-SFHVURJKSA-N 2 2 414.472 2.154 20 0 HEADLP C[NH+]1CCN(c2cc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ncn2)CC1 ZINC001169509861 1079317512 /nfs/dbraw/zinc/31/75/12/1079317512.db2.gz DJQOJOWYNFDQEU-UXHICEINSA-N 2 2 424.549 2.100 20 0 HEADLP COc1c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001169513765 1079318847 /nfs/dbraw/zinc/31/88/47/1079318847.db2.gz AWVZUVOZESURDS-AEFFLSMTSA-N 2 2 411.506 2.043 20 0 HEADLP C[NH+]1CCN(c2nccnc2N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)CC1 ZINC001169516317 1079320610 /nfs/dbraw/zinc/32/06/10/1079320610.db2.gz GIQAXVXYNGNYNW-VQTJNVASSA-N 2 2 424.549 2.100 20 0 HEADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774454 1079394892 /nfs/dbraw/zinc/39/48/92/1079394892.db2.gz YXQCOFDWXXZHTG-XPWALMASSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774454 1079394899 /nfs/dbraw/zinc/39/48/99/1079394899.db2.gz YXQCOFDWXXZHTG-XPWALMASSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774454 1079394906 /nfs/dbraw/zinc/39/49/06/1079394906.db2.gz YXQCOFDWXXZHTG-XPWALMASSA-N 2 2 407.562 2.479 20 0 HEADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCCN(C(=O)c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001169774454 1079394912 /nfs/dbraw/zinc/39/49/12/1079394912.db2.gz YXQCOFDWXXZHTG-XPWALMASSA-N 2 2 407.562 2.479 20 0 HEADLP CCC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738110073 1075965812 /nfs/dbraw/zinc/96/58/12/1075965812.db2.gz BFGJHHXYFACFKM-UHFFFAOYSA-N 2 2 406.571 2.269 20 0 HEADLP CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000738212241 1075974567 /nfs/dbraw/zinc/97/45/67/1075974567.db2.gz XZOQGIBBQDPKLW-NRFANRHFSA-N 2 2 422.957 2.497 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000739033172 1076032250 /nfs/dbraw/zinc/03/22/50/1076032250.db2.gz WYRNYFJNGMFXJU-UHFFFAOYSA-N 2 2 405.543 2.075 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000739033172 1076032254 /nfs/dbraw/zinc/03/22/54/1076032254.db2.gz WYRNYFJNGMFXJU-UHFFFAOYSA-N 2 2 405.543 2.075 20 0 HEADLP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)cc2)CC1 ZINC000739065237 1076034645 /nfs/dbraw/zinc/03/46/45/1076034645.db2.gz DLMMYCCAJDTYBI-UHFFFAOYSA-N 2 2 424.549 2.026 20 0 HEADLP CC[N@H+](Cn1cnc(C(=O)OC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740855209 1076268484 /nfs/dbraw/zinc/26/84/84/1076268484.db2.gz BUKJVRCEXVAATH-UHFFFAOYSA-N 2 2 401.515 2.235 20 0 HEADLP CC[N@@H+](Cn1cnc(C(=O)OC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740855209 1076268490 /nfs/dbraw/zinc/26/84/90/1076268490.db2.gz BUKJVRCEXVAATH-UHFFFAOYSA-N 2 2 401.515 2.235 20 0 HEADLP CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCCC1 ZINC000741014179 1076329788 /nfs/dbraw/zinc/32/97/88/1076329788.db2.gz RKIMRIUTAILTLK-NRFANRHFSA-N 2 2 403.523 2.121 20 0 HEADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000743315227 1077027402 /nfs/dbraw/zinc/02/74/02/1077027402.db2.gz SHJJWBNVQQXFHH-QGZVFWFLSA-N 2 2 417.554 2.079 20 0 HEADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745317796 1077806837 /nfs/dbraw/zinc/80/68/37/1077806837.db2.gz XALJIKZTQHZZGN-QFIPXVFZSA-N 2 2 417.598 2.377 20 0 HEADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745317796 1077806839 /nfs/dbraw/zinc/80/68/39/1077806839.db2.gz XALJIKZTQHZZGN-QFIPXVFZSA-N 2 2 417.598 2.377 20 0 HEADLP CN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763058 1079516583 /nfs/dbraw/zinc/51/65/83/1079516583.db2.gz AXNLNBCRWFLFHI-PKOBYXMFSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763058 1079516589 /nfs/dbraw/zinc/51/65/89/1079516589.db2.gz AXNLNBCRWFLFHI-PKOBYXMFSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771765679 1079520893 /nfs/dbraw/zinc/52/08/93/1079520893.db2.gz DHRIANJRGVBURY-RTBURBONSA-N 2 2 423.602 2.100 20 0 HEADLP CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771765679 1079520896 /nfs/dbraw/zinc/52/08/96/1079520896.db2.gz DHRIANJRGVBURY-RTBURBONSA-N 2 2 423.602 2.100 20 0 HEADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000785581555 1080060070 /nfs/dbraw/zinc/06/00/70/1080060070.db2.gz XAJGDDYVMWSRNQ-UHFFFAOYSA-N 2 2 417.513 2.401 20 0 HEADLP C[C@H]1[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175677 1080479505 /nfs/dbraw/zinc/47/95/05/1080479505.db2.gz UAMWIBLZSOVKBA-LPHOPBHVSA-N 2 2 408.587 2.307 20 0 HEADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786466835 1080645698 /nfs/dbraw/zinc/64/56/98/1080645698.db2.gz ZDSZZYRJJAERMO-UHFFFAOYSA-N 2 2 423.561 2.408 20 0 HEADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000786505785 1080662949 /nfs/dbraw/zinc/66/29/49/1080662949.db2.gz QLMGGZYZHGMCIR-UHFFFAOYSA-N 2 2 413.566 2.211 20 0 HEADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCCCCC1 ZINC000786626917 1080721534 /nfs/dbraw/zinc/72/15/34/1080721534.db2.gz KLXMJCQWGFQKTL-RBUKOAKNSA-N 2 2 403.571 2.143 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000769086357 1080933909 /nfs/dbraw/zinc/93/39/09/1080933909.db2.gz LPSUWTGBHPDNFQ-CTNGQTDRSA-N 2 2 412.534 2.389 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000769086357 1080933923 /nfs/dbraw/zinc/93/39/23/1080933923.db2.gz LPSUWTGBHPDNFQ-CTNGQTDRSA-N 2 2 412.534 2.389 20 0 HEADLP C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427278 1081070530 /nfs/dbraw/zinc/07/05/30/1081070530.db2.gz XECKNDPMZNNIQG-PKOBYXMFSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427278 1081070539 /nfs/dbraw/zinc/07/05/39/1081070539.db2.gz XECKNDPMZNNIQG-PKOBYXMFSA-N 2 2 418.586 2.354 20 0 HEADLP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000787288624 1081093233 /nfs/dbraw/zinc/09/32/33/1081093233.db2.gz OWQNDDLWSAACIZ-FQEVSTJZSA-N 2 2 411.550 2.284 20 0 HEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164629714 719135330 /nfs/dbraw/zinc/13/53/30/719135330.db2.gz CIPZDWPINNLHAJ-OAHLLOKOSA-N 2 2 415.563 2.117 20 0 HEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001164635857 719137580 /nfs/dbraw/zinc/13/75/80/719137580.db2.gz XGOBVQYECYIOJT-INIZCTEOSA-N 2 2 411.531 2.371 20 0 HEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(N(C)C)[nH+]4)CC3)C2=O)cs1 ZINC001164823110 720360045 /nfs/dbraw/zinc/36/00/45/720360045.db2.gz AQQGUEDYXZXGFN-UHFFFAOYSA-N 2 2 414.579 2.226 20 0 HEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(N(C)C)[nH+]4)CC3)C2=O)cs1 ZINC001164823110 720360050 /nfs/dbraw/zinc/36/00/50/720360050.db2.gz AQQGUEDYXZXGFN-UHFFFAOYSA-N 2 2 414.579 2.226 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879546 721177559 /nfs/dbraw/zinc/17/75/59/721177559.db2.gz TYXWDZQTWBKKRV-NFBKMPQASA-N 3 2 423.561 2.429 20 0 HEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879546 721177562 /nfs/dbraw/zinc/17/75/62/721177562.db2.gz TYXWDZQTWBKKRV-NFBKMPQASA-N 3 2 423.561 2.429 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164894472 721379213 /nfs/dbraw/zinc/37/92/13/721379213.db2.gz YHGFDWNIKPCEHZ-NZQKXSOJSA-N 2 2 414.598 2.151 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164894472 721379214 /nfs/dbraw/zinc/37/92/14/721379214.db2.gz YHGFDWNIKPCEHZ-NZQKXSOJSA-N 2 2 414.598 2.151 20 0 HEADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001165011303 721720894 /nfs/dbraw/zinc/72/08/94/721720894.db2.gz OTDWCOBUHSTMFF-UHFFFAOYSA-N 2 2 413.570 2.302 20 0 HEADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001165011303 721720901 /nfs/dbraw/zinc/72/09/01/721720901.db2.gz OTDWCOBUHSTMFF-UHFFFAOYSA-N 2 2 413.570 2.302 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)[nH+]1 ZINC001164944762 721968592 /nfs/dbraw/zinc/96/85/92/721968592.db2.gz JHAOJWUOIMACSV-UHFFFAOYSA-N 2 2 420.561 2.356 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001164944762 721968596 /nfs/dbraw/zinc/96/85/96/721968596.db2.gz JHAOJWUOIMACSV-UHFFFAOYSA-N 2 2 420.561 2.356 20 0 HEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002922 722255596 /nfs/dbraw/zinc/25/55/96/722255596.db2.gz XLVSXXZVWNWGCR-VOTSOKGWSA-N 2 2 413.522 2.261 20 0 HEADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624882 1078478920 /nfs/dbraw/zinc/47/89/20/1078478920.db2.gz LPUXBOCGURWHHS-SXLOBPIMSA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624882 1078478927 /nfs/dbraw/zinc/47/89/27/1078478927.db2.gz LPUXBOCGURWHHS-SXLOBPIMSA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624882 1078478930 /nfs/dbraw/zinc/47/89/30/1078478930.db2.gz LPUXBOCGURWHHS-SXLOBPIMSA-N 2 2 416.566 2.365 20 0 HEADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624882 1078478931 /nfs/dbraw/zinc/47/89/31/1078478931.db2.gz LPUXBOCGURWHHS-SXLOBPIMSA-N 2 2 416.566 2.365 20 0 HEADLP Cc1ccc(N2CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)C2=O)cc1 ZINC000745885020 1078686925 /nfs/dbraw/zinc/68/69/25/1078686925.db2.gz NMXQRCFSYJTJFJ-OAQYLSRUSA-N 2 2 415.582 2.158 20 0 HEADLP Cc1ccc(N2CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)C2=O)cc1 ZINC000745885020 1078686929 /nfs/dbraw/zinc/68/69/29/1078686929.db2.gz NMXQRCFSYJTJFJ-OAQYLSRUSA-N 2 2 415.582 2.158 20 0 HEADLP CC[N@@H+](Cc1cccc(Br)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000746027135 1078742846 /nfs/dbraw/zinc/74/28/46/1078742846.db2.gz WIMVJTNHUYNZBI-UHFFFAOYSA-N 2 2 409.328 2.245 20 0 HEADLP CC[N@H+](Cc1cccc(Br)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000746027135 1078742850 /nfs/dbraw/zinc/74/28/50/1078742850.db2.gz WIMVJTNHUYNZBI-UHFFFAOYSA-N 2 2 409.328 2.245 20 0 HEADLP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000746112853 1078792081 /nfs/dbraw/zinc/79/20/81/1078792081.db2.gz VLXXSAFUPKGSSE-GOSISDBHSA-N 2 2 414.472 2.154 20 0 HEADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000746155592 1078808463 /nfs/dbraw/zinc/80/84/63/1078808463.db2.gz OIYMLGOYQKLTML-UHFFFAOYSA-N 2 2 404.518 2.253 20 0 HEADLP COc1ccc(CN2CC[C@@H]([N@@H+]3CCc4onc(Cn5cc[nH+]c5)c4C3)CC2=O)cc1 ZINC001168928732 1079087210 /nfs/dbraw/zinc/08/72/10/1079087210.db2.gz DOYBSNKIHXIQDB-GOSISDBHSA-N 2 2 421.501 2.477 20 0 HEADLP COc1ccc(CN2CC[C@@H]([N@H+]3CCc4onc(Cn5cc[nH+]c5)c4C3)CC2=O)cc1 ZINC001168928732 1079087215 /nfs/dbraw/zinc/08/72/15/1079087215.db2.gz DOYBSNKIHXIQDB-GOSISDBHSA-N 2 2 421.501 2.477 20 0 HEADLP CCOC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001169668924 1079362803 /nfs/dbraw/zinc/36/28/03/1079362803.db2.gz KZONCCPFABWLJQ-IBGZPJMESA-N 2 2 402.539 2.107 20 0 HEADLP CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667549 1079436067 /nfs/dbraw/zinc/43/60/67/1079436067.db2.gz LXGWYTBLCAUGKP-JTSKRJEESA-N 2 2 408.587 2.451 20 0 HEADLP CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000771667549 1079436085 /nfs/dbraw/zinc/43/60/85/1079436085.db2.gz LXGWYTBLCAUGKP-JTSKRJEESA-N 2 2 408.587 2.451 20 0 HEADLP C[C@H]1C(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C(=O)N1c1ccccc1 ZINC000738110757 1075965339 /nfs/dbraw/zinc/96/53/39/1075965339.db2.gz IYFABWOJRUEVLR-SFHVURJKSA-N 2 2 400.523 2.236 20 0 HEADLP Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000741016241 1076336922 /nfs/dbraw/zinc/33/69/22/1076336922.db2.gz HQZFVLBFMZECQR-AQNXPRMDSA-N 2 2 401.551 2.444 20 0 HEADLP C[NH+]1CCC(CNC(=O)c2ccc(N3CCOC3=O)cc2)([NH+]2CCCCC2)CC1 ZINC000742011788 1076706480 /nfs/dbraw/zinc/70/64/80/1076706480.db2.gz OQJPXEVLXCKEIP-UHFFFAOYSA-N 2 2 400.523 2.323 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nccc(NC[C@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022127 /nfs/dbraw/zinc/02/21/27/1077022127.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nccc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022133 /nfs/dbraw/zinc/02/21/33/1077022133.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2ccnc(NC[C@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022139 /nfs/dbraw/zinc/02/21/39/1077022139.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2ccnc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022146 /nfs/dbraw/zinc/02/21/46/1077022146.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 2 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nc(NC[C@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300807 1077022152 /nfs/dbraw/zinc/02/21/52/1077022152.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2nc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]2)C1 ZINC000743300807 1077022159 /nfs/dbraw/zinc/02/21/59/1077022159.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2cc[nH+]c(NC[C@H]3C[N@H+](CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022165 /nfs/dbraw/zinc/02/21/65/1077022165.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 3 2 420.602 2.014 20 0 HEADLP CC(C)C[NH+]1CCO[C@@H](CNc2cc[nH+]c(NC[C@H]3C[N@@H+](CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022172 /nfs/dbraw/zinc/02/21/72/1077022172.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 3 2 420.602 2.014 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000743594016 1077077954 /nfs/dbraw/zinc/07/79/54/1077077954.db2.gz LFSGBEINTIDSNL-WOJBJXKFSA-N 2 2 401.555 2.193 20 0 HEADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000743594016 1077077960 /nfs/dbraw/zinc/07/79/60/1077077960.db2.gz LFSGBEINTIDSNL-WOJBJXKFSA-N 2 2 401.555 2.193 20 0 HEADLP Cc1ccccc1[C@@]1(C)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744439833 1077395331 /nfs/dbraw/zinc/39/53/31/1077395331.db2.gz CMPUPHLSWYLZIR-HSZRJFAPSA-N 2 2 414.550 2.296 20 0 HEADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000745088132 1077726033 /nfs/dbraw/zinc/72/60/33/1077726033.db2.gz VDFVARSINIQHQF-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000745088132 1077726042 /nfs/dbraw/zinc/72/60/42/1077726042.db2.gz VDFVARSINIQHQF-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000745088132 1077726054 /nfs/dbraw/zinc/72/60/54/1077726054.db2.gz VDFVARSINIQHQF-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000745088132 1077726070 /nfs/dbraw/zinc/72/60/70/1077726070.db2.gz VDFVARSINIQHQF-OAQYLSRUSA-N 2 2 401.551 2.447 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CCCC[N@@H+]3CC)cc2)CC1 ZINC000745082879 1077735453 /nfs/dbraw/zinc/73/54/53/1077735453.db2.gz JLUQBDBYQUKJKI-HXUWFJFHSA-N 2 2 402.539 2.185 20 0 HEADLP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CCCC[N@H+]3CC)cc2)CC1 ZINC000745082879 1077735460 /nfs/dbraw/zinc/73/54/60/1077735460.db2.gz JLUQBDBYQUKJKI-HXUWFJFHSA-N 2 2 402.539 2.185 20 0 HEADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766331737 1077815332 /nfs/dbraw/zinc/81/53/32/1077815332.db2.gz QQPHDUKWMYVKCN-QZTJIDSGSA-N 2 2 417.554 2.156 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000771767121 1079521618 /nfs/dbraw/zinc/52/16/18/1079521618.db2.gz JIYJSQYTWPJBFJ-HXUWFJFHSA-N 2 2 417.554 2.217 20 0 HEADLP COC(=O)Nc1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000771767121 1079521624 /nfs/dbraw/zinc/52/16/24/1079521624.db2.gz JIYJSQYTWPJBFJ-HXUWFJFHSA-N 2 2 417.554 2.217 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771996502 1079639761 /nfs/dbraw/zinc/63/97/61/1079639761.db2.gz VRVGWOGTXVSKGL-KURKYZTESA-N 2 2 423.602 2.194 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771996502 1079639769 /nfs/dbraw/zinc/63/97/69/1079639769.db2.gz VRVGWOGTXVSKGL-KURKYZTESA-N 2 2 423.602 2.194 20 0 HEADLP C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113557 1079666294 /nfs/dbraw/zinc/66/62/94/1079666294.db2.gz WHHVVYZUABTXCI-PXNSSMCTSA-N 2 2 419.591 2.136 20 0 HEADLP C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113557 1079666298 /nfs/dbraw/zinc/66/62/98/1079666298.db2.gz WHHVVYZUABTXCI-PXNSSMCTSA-N 2 2 419.591 2.136 20 0 HEADLP C[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181967 1080482970 /nfs/dbraw/zinc/48/29/70/1080482970.db2.gz IPICLBUSRGDJBK-NEWSRXKRSA-N 2 2 408.587 2.259 20 0 HEADLP C[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000786181967 1080482985 /nfs/dbraw/zinc/48/29/85/1080482985.db2.gz IPICLBUSRGDJBK-NEWSRXKRSA-N 2 2 408.587 2.259 20 0 HEADLP Cn1cc(-c2cc(CO[NH+]=C(N)CCN3CC[NH+](Cc4ccccc4)CC3)on2)cn1 ZINC000768923192 1080860054 /nfs/dbraw/zinc/86/00/54/1080860054.db2.gz PTTNGZVAURLCPH-UHFFFAOYSA-N 2 2 423.521 2.281 20 0 HEADLP O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000786879952 1080884419 /nfs/dbraw/zinc/88/44/19/1080884419.db2.gz CIHAIXPSOURGCN-IBGZPJMESA-N 2 2 405.564 2.343 20 0 HEADLP O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000786879952 1080884422 /nfs/dbraw/zinc/88/44/22/1080884422.db2.gz CIHAIXPSOURGCN-IBGZPJMESA-N 2 2 405.564 2.343 20 0 HEADLP O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000786885604 1080886088 /nfs/dbraw/zinc/88/60/88/1080886088.db2.gz YHEUUUMEZKYKSC-HXUWFJFHSA-N 2 2 421.582 2.088 20 0 HEADLP O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000786885604 1080886092 /nfs/dbraw/zinc/88/60/92/1080886092.db2.gz YHEUUUMEZKYKSC-HXUWFJFHSA-N 2 2 421.582 2.088 20 0 HEADLP CC[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483130 1081079083 /nfs/dbraw/zinc/07/90/83/1081079083.db2.gz GNHQRRGZVSGSEZ-MOPGFXCFSA-N 2 2 418.586 2.354 20 0 HEADLP CC[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483130 1081079091 /nfs/dbraw/zinc/07/90/91/1081079091.db2.gz GNHQRRGZVSGSEZ-MOPGFXCFSA-N 2 2 418.586 2.354 20 0 HEADLP CC(C)Oc1cc[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828888 720456992 /nfs/dbraw/zinc/45/69/92/720456992.db2.gz BXOYXNIBBYLTLK-SFHVURJKSA-N 2 2 415.538 2.055 20 0 HEADLP Cc1[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc2[nH]ccc21 ZINC001164830647 720466409 /nfs/dbraw/zinc/46/64/09/720466409.db2.gz KMZQCXJQWBWVAP-QGZVFWFLSA-N 2 2 410.522 2.057 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)[nH+]2)CC1 ZINC001164878063 721249014 /nfs/dbraw/zinc/24/90/14/721249014.db2.gz SBVCRLNCTJWGMP-HBMCJLEFSA-N 2 2 409.534 2.434 20 0 HEADLP COc1ccc2c[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)cc2c1 ZINC001164872116 721280769 /nfs/dbraw/zinc/28/07/69/721280769.db2.gz AHQRIJZRENRLAX-UHFFFAOYSA-N 2 2 412.534 2.250 20 0 HEADLP COc1ccc2c[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)cc2c1 ZINC001164872116 721280771 /nfs/dbraw/zinc/28/07/71/721280771.db2.gz AHQRIJZRENRLAX-UHFFFAOYSA-N 2 2 412.534 2.250 20 0 HEADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)c1 ZINC001164914720 721793710 /nfs/dbraw/zinc/79/37/10/721793710.db2.gz QWXXGFYDPPVNJE-XMMPIXPASA-N 2 2 423.561 2.180 20 0 HEADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)c1 ZINC001164914720 721793712 /nfs/dbraw/zinc/79/37/12/721793712.db2.gz QWXXGFYDPPVNJE-XMMPIXPASA-N 2 2 423.561 2.180 20 0 HEADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)c1 ZINC001164915659 721800524 /nfs/dbraw/zinc/80/05/24/721800524.db2.gz XGPGGLNFBVTIKO-XMMPIXPASA-N 2 2 423.561 2.180 20 0 HEADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)c1 ZINC001164915659 721800525 /nfs/dbraw/zinc/80/05/25/721800525.db2.gz XGPGGLNFBVTIKO-XMMPIXPASA-N 2 2 423.561 2.180 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164943730 721968634 /nfs/dbraw/zinc/96/86/34/721968634.db2.gz GDSKSXQKGOSJGW-UHFFFAOYSA-N 2 2 408.550 2.212 20 0 HEADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164943730 721968636 /nfs/dbraw/zinc/96/86/36/721968636.db2.gz GDSKSXQKGOSJGW-UHFFFAOYSA-N 2 2 408.550 2.212 20 0 HEADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966782 722072010 /nfs/dbraw/zinc/07/20/10/722072010.db2.gz CAZGKJALJYYOBV-CALCHBBNSA-N 2 2 413.522 2.278 20 0 HEADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966782 722072011 /nfs/dbraw/zinc/07/20/11/722072011.db2.gz CAZGKJALJYYOBV-CALCHBBNSA-N 2 2 413.522 2.278 20 0 HEADLP COc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]c2ccccc21 ZINC001164997177 722235889 /nfs/dbraw/zinc/23/58/89/722235889.db2.gz NMUGFXNAKRSWSF-UHFFFAOYSA-N 2 2 404.518 2.390 20 0 HEADLP Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000745828266 1078666031 /nfs/dbraw/zinc/66/60/31/1078666031.db2.gz CDHJRBNQHQJSHU-FQEVSTJZSA-N 2 2 400.571 2.412 20 0 HEADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC(OCC[NH+](C)C)CC3)CC2)cc1 ZINC000745870613 1078668561 /nfs/dbraw/zinc/66/85/61/1078668561.db2.gz YVRIBOAGYZIQBZ-UHFFFAOYSA-N 2 2 417.598 2.474 20 0 HEADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850757 1079061600 /nfs/dbraw/zinc/06/16/00/1079061600.db2.gz QVVOERFPZLYKLV-WOIUINJBSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850757 1079061605 /nfs/dbraw/zinc/06/16/05/1079061605.db2.gz QVVOERFPZLYKLV-WOIUINJBSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850757 1079061610 /nfs/dbraw/zinc/06/16/10/1079061610.db2.gz QVVOERFPZLYKLV-WOIUINJBSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850757 1079061614 /nfs/dbraw/zinc/06/16/14/1079061614.db2.gz QVVOERFPZLYKLV-WOIUINJBSA-N 2 2 411.587 2.445 20 0 HEADLP COc1cccc(CNC(=O)c2cc3ccc(-n4c[nH+]cc4C[C@@H]([NH3+])CO)cc3[nH]2)c1 ZINC001169075262 1079125973 /nfs/dbraw/zinc/12/59/73/1079125973.db2.gz FVNGBOPQVIBZEY-QGZVFWFLSA-N 2 2 419.485 2.154 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128643 1079147809 /nfs/dbraw/zinc/14/78/09/1079147809.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)cc[nH+]1 ZINC001169128643 1079147813 /nfs/dbraw/zinc/14/78/13/1079147813.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)cc[nH+]1 ZINC001169128643 1079147815 /nfs/dbraw/zinc/14/78/15/1079147815.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 3 2 414.598 2.087 20 0 HEADLP CN(C)c1nc(N2CCOC[C@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)cc[nH+]1 ZINC001169128643 1079147818 /nfs/dbraw/zinc/14/78/18/1079147818.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 3 2 414.598 2.087 20 0 HEADLP COc1ccc(CN2CCc3c2nc[nH+]c3NCc2ncn3c2C[NH2+]CCC3)cc1 ZINC001169242232 1079209417 /nfs/dbraw/zinc/20/94/17/1079209417.db2.gz ZERDRMIIXVWQHB-UHFFFAOYSA-N 2 2 405.506 2.350 20 0 HEADLP CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](C1CC[NH+](CC)CC1)CC2 ZINC001169251421 1079212174 /nfs/dbraw/zinc/21/21/74/1079212174.db2.gz WGNFOEPSXQTUNT-UHFFFAOYSA-N 2 2 411.598 2.395 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)CO1 ZINC001169352376 1079249023 /nfs/dbraw/zinc/24/90/23/1079249023.db2.gz OYPMQJTWDCFJJR-UXHICEINSA-N 2 2 404.507 2.138 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392776 1079262984 /nfs/dbraw/zinc/26/29/84/1079262984.db2.gz QRUGOUYMEIXNDV-RSPOEFSDSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392776 1079262996 /nfs/dbraw/zinc/26/29/96/1079262996.db2.gz QRUGOUYMEIXNDV-RSPOEFSDSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392776 1079263007 /nfs/dbraw/zinc/26/30/07/1079263007.db2.gz QRUGOUYMEIXNDV-RSPOEFSDSA-N 2 2 423.579 2.085 20 0 HEADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392776 1079263018 /nfs/dbraw/zinc/26/30/18/1079263018.db2.gz QRUGOUYMEIXNDV-RSPOEFSDSA-N 2 2 423.579 2.085 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325920 1079287900 /nfs/dbraw/zinc/28/79/00/1079287900.db2.gz XHWMUZCDFOYYJZ-HXUWFJFHSA-N 2 2 418.557 2.073 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325920 1079287905 /nfs/dbraw/zinc/28/79/05/1079287905.db2.gz XHWMUZCDFOYYJZ-HXUWFJFHSA-N 2 2 418.557 2.073 20 0 HEADLP COc1c(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001169513781 1079318832 /nfs/dbraw/zinc/31/88/32/1079318832.db2.gz AWVZUVOZESURDS-WMZOPIPTSA-N 2 2 411.506 2.043 20 0 HEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CC1 ZINC000738212244 1075974263 /nfs/dbraw/zinc/97/42/63/1075974263.db2.gz YDAHONVEDNGDNI-HSZRJFAPSA-N 2 2 414.550 2.160 20 0 HEADLP CN(C(=O)NC[C@H]1COC2(CCCCCC2)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776822 1079498591 /nfs/dbraw/zinc/49/85/91/1079498591.db2.gz GQVWCTDSOAFYGY-UXHICEINSA-N 2 2 408.587 2.262 20 0 HEADLP CN(C(=O)NC[C@H]1COC2(CCCCCC2)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776822 1079498599 /nfs/dbraw/zinc/49/85/99/1079498599.db2.gz GQVWCTDSOAFYGY-UXHICEINSA-N 2 2 408.587 2.262 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740916877 1076304653 /nfs/dbraw/zinc/30/46/53/1076304653.db2.gz DRFCNMLKHDRIPY-AOIWGVFYSA-N 2 2 423.602 2.100 20 0 HEADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740916877 1076304658 /nfs/dbraw/zinc/30/46/58/1076304658.db2.gz DRFCNMLKHDRIPY-AOIWGVFYSA-N 2 2 423.602 2.100 20 0 HEADLP CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCCC1 ZINC000741014180 1076329884 /nfs/dbraw/zinc/32/98/84/1076329884.db2.gz RKIMRIUTAILTLK-OAQYLSRUSA-N 2 2 403.523 2.121 20 0 HEADLP CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742012449 1076707516 /nfs/dbraw/zinc/70/75/16/1076707516.db2.gz VDZFRDADHOKATH-YSLLPBIDSA-N 2 2 422.639 2.311 20 0 HEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C2)CC1 ZINC000742667514 1076862386 /nfs/dbraw/zinc/86/23/86/1076862386.db2.gz VRXGTLQZVJWNGC-HNNXBMFYSA-N 2 2 406.527 2.203 20 0 HEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C2)CC1 ZINC000742667514 1076862387 /nfs/dbraw/zinc/86/23/87/1076862387.db2.gz VRXGTLQZVJWNGC-HNNXBMFYSA-N 2 2 406.527 2.203 20 0 HEADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000743622590 1077076636 /nfs/dbraw/zinc/07/66/36/1077076636.db2.gz IXRKIZPUQVRMGF-NRFANRHFSA-N 2 2 403.571 2.131 20 0 HEADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000743622590 1077076638 /nfs/dbraw/zinc/07/66/38/1077076638.db2.gz IXRKIZPUQVRMGF-NRFANRHFSA-N 2 2 403.571 2.131 20 0 HEADLP CN(C[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625625 1077082326 /nfs/dbraw/zinc/08/23/26/1077082326.db2.gz FBYFKTVSMPYZQI-PKOBYXMFSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000743625625 1077082334 /nfs/dbraw/zinc/08/23/34/1077082334.db2.gz FBYFKTVSMPYZQI-PKOBYXMFSA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427136 1077389384 /nfs/dbraw/zinc/38/93/84/1077389384.db2.gz ZNDKIVMPHRWJJC-FPOVZHCZSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000744427136 1077389390 /nfs/dbraw/zinc/38/93/90/1077389390.db2.gz ZNDKIVMPHRWJJC-FPOVZHCZSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000744427136 1077389396 /nfs/dbraw/zinc/38/93/96/1077389396.db2.gz ZNDKIVMPHRWJJC-FPOVZHCZSA-N 2 2 416.566 2.130 20 0 HEADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000744427136 1077389403 /nfs/dbraw/zinc/38/94/03/1077389403.db2.gz ZNDKIVMPHRWJJC-FPOVZHCZSA-N 2 2 416.566 2.130 20 0 HEADLP CN(C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763814 1079518888 /nfs/dbraw/zinc/51/88/88/1079518888.db2.gz FFGXYJNBPZKUQB-RTBURBONSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763814 1079518895 /nfs/dbraw/zinc/51/88/95/1079518895.db2.gz FFGXYJNBPZKUQB-RTBURBONSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771767942 1079522403 /nfs/dbraw/zinc/52/24/03/1079522403.db2.gz YMRCWJJQVIGSJT-LJQANCHMSA-N 2 2 423.602 2.196 20 0 HEADLP CN(C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771767942 1079522416 /nfs/dbraw/zinc/52/24/16/1079522416.db2.gz YMRCWJJQVIGSJT-LJQANCHMSA-N 2 2 423.602 2.196 20 0 HEADLP O=C1C[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)CN1CC[NH+]1CCOCC1 ZINC000771957047 1079603454 /nfs/dbraw/zinc/60/34/54/1079603454.db2.gz GEPXPWXQRJYLNW-HNNXBMFYSA-N 2 2 403.470 2.321 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771996503 1079639459 /nfs/dbraw/zinc/63/94/59/1079639459.db2.gz VRVGWOGTXVSKGL-KZNAEPCWSA-N 2 2 423.602 2.194 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771996503 1079639479 /nfs/dbraw/zinc/63/94/79/1079639479.db2.gz VRVGWOGTXVSKGL-KZNAEPCWSA-N 2 2 423.602 2.194 20 0 HEADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000785581287 1080085356 /nfs/dbraw/zinc/08/53/56/1080085356.db2.gz VJTDVSDHLZBUIA-FQEVSTJZSA-N 2 2 409.534 2.038 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542847 1080619251 /nfs/dbraw/zinc/61/92/51/1080619251.db2.gz HVWYYLAALNUXON-MJGOQNOKSA-N 2 2 418.586 2.496 20 0 HEADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542847 1080619256 /nfs/dbraw/zinc/61/92/56/1080619256.db2.gz HVWYYLAALNUXON-MJGOQNOKSA-N 2 2 418.586 2.496 20 0 HEADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000787142315 1081026456 /nfs/dbraw/zinc/02/64/56/1081026456.db2.gz YQCBIXKQEKNXOU-UHFFFAOYSA-N 2 2 424.545 2.147 20 0 HEADLP CN(CC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1)C(=O)OC(C)(C)C ZINC000769335941 1081046306 /nfs/dbraw/zinc/04/63/06/1081046306.db2.gz WSGAOIKIEFGYQX-UHFFFAOYSA-N 2 2 418.586 2.307 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423999 1081068873 /nfs/dbraw/zinc/06/88/73/1081068873.db2.gz IKLMZYIHKQNKEI-PKOBYXMFSA-N 2 2 418.586 2.354 20 0 HEADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769423999 1081068882 /nfs/dbraw/zinc/06/88/82/1081068882.db2.gz IKLMZYIHKQNKEI-PKOBYXMFSA-N 2 2 418.586 2.354 20 0 HEADLP Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C1C[NH2+]C1 ZINC001164677004 719533004 /nfs/dbraw/zinc/53/30/04/719533004.db2.gz ADAOYOMWVIPOKB-UHFFFAOYSA-N 2 2 411.525 2.482 20 0 HEADLP Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C1C[NH2+]C1 ZINC001164677004 719533009 /nfs/dbraw/zinc/53/30/09/719533009.db2.gz ADAOYOMWVIPOKB-UHFFFAOYSA-N 2 2 411.525 2.482 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)[nH+]1 ZINC001164811496 720209731 /nfs/dbraw/zinc/20/97/31/720209731.db2.gz ITMGCALCGABLQW-UHFFFAOYSA-N 2 2 411.554 2.192 20 0 HEADLP Cc1cc(N2CCCC2)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)[nH+]1 ZINC001164811496 720209743 /nfs/dbraw/zinc/20/97/43/720209743.db2.gz ITMGCALCGABLQW-UHFFFAOYSA-N 2 2 411.554 2.192 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829662 720316575 /nfs/dbraw/zinc/31/65/75/720316575.db2.gz MYUQTMHIEJQFAT-RTBURBONSA-N 2 2 414.550 2.397 20 0 HEADLP C[NH+]1CCN(c2cccc(N3Cc4cncn4C[C@H](COc4cccnc4)C3)[nH+]2)CC1 ZINC001164768987 721274390 /nfs/dbraw/zinc/27/43/90/721274390.db2.gz MUDFMGHHWYBJIY-LJQANCHMSA-N 2 2 419.533 2.140 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)[nH+]2)CC1 ZINC001164877823 721313588 /nfs/dbraw/zinc/31/35/88/721313588.db2.gz JUCWKCBEPJWVRD-VAMGGRTRSA-N 2 2 409.534 2.291 20 0 HEADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc(N5CCCC5)cc[nH+]4)CCO3)C2)c1 ZINC001164917081 721789722 /nfs/dbraw/zinc/78/97/22/721789722.db2.gz WPXRCPUPFJAXIQ-HSZRJFAPSA-N 2 2 409.534 2.185 20 0 HEADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc(N5CCCC5)cc[nH+]4)CCO3)C2)c1 ZINC001164917081 721789724 /nfs/dbraw/zinc/78/97/24/721789724.db2.gz WPXRCPUPFJAXIQ-HSZRJFAPSA-N 2 2 409.534 2.185 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)([NH+]2CCCCC2)CC1 ZINC000745879465 1078682512 /nfs/dbraw/zinc/68/25/12/1078682512.db2.gz SFSMERYSTMNINS-GOSISDBHSA-N 2 2 423.602 2.245 20 0 HEADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H](N3CCCCC3=O)C2)([NH+]2CCCCC2)CC1 ZINC000745878348 1078681735 /nfs/dbraw/zinc/68/17/35/1078681735.db2.gz MWIGCVRUNCVLIJ-FQEVSTJZSA-N 2 2 419.614 2.123 20 0 HEADLP C[NH+]1CCC(CNC(=O)NC[C@H](O)c2c(F)cccc2F)([NH+]2CCCCC2)CC1 ZINC000745878343 1078681857 /nfs/dbraw/zinc/68/18/57/1078681857.db2.gz MOGMLPQPESFZLZ-SFHVURJKSA-N 2 2 410.509 2.248 20 0 HEADLP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000766454938 1079009112 /nfs/dbraw/zinc/00/91/12/1079009112.db2.gz YPXVKTRUDJBKBO-UHFFFAOYSA-N 2 2 413.518 2.355 20 0 HEADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850758 1079061804 /nfs/dbraw/zinc/06/18/04/1079061804.db2.gz QVVOERFPZLYKLV-XQBPLPMBSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850758 1079061807 /nfs/dbraw/zinc/06/18/07/1079061807.db2.gz QVVOERFPZLYKLV-XQBPLPMBSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850758 1079061808 /nfs/dbraw/zinc/06/18/08/1079061808.db2.gz QVVOERFPZLYKLV-XQBPLPMBSA-N 2 2 411.587 2.445 20 0 HEADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001168850758 1079061811 /nfs/dbraw/zinc/06/18/11/1079061811.db2.gz QVVOERFPZLYKLV-XQBPLPMBSA-N 2 2 411.587 2.445 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128277 1079146526 /nfs/dbraw/zinc/14/65/26/1079146526.db2.gz CDPBXPJKKOONQZ-DTXAGUPXSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128277 1079146528 /nfs/dbraw/zinc/14/65/28/1079146528.db2.gz CDPBXPJKKOONQZ-DTXAGUPXSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169128277 1079146532 /nfs/dbraw/zinc/14/65/32/1079146532.db2.gz CDPBXPJKKOONQZ-DTXAGUPXSA-N 2 2 407.555 2.485 20 0 HEADLP CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169128277 1079146537 /nfs/dbraw/zinc/14/65/37/1079146537.db2.gz CDPBXPJKKOONQZ-DTXAGUPXSA-N 2 2 407.555 2.485 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128288 1079147270 /nfs/dbraw/zinc/14/72/70/1079147270.db2.gz CFTLOQXMBYZKCP-MDPIYQRISA-N 2 2 400.498 2.288 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128288 1079147276 /nfs/dbraw/zinc/14/72/76/1079147276.db2.gz CFTLOQXMBYZKCP-MDPIYQRISA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128288 1079147280 /nfs/dbraw/zinc/14/72/80/1079147280.db2.gz CFTLOQXMBYZKCP-MDPIYQRISA-N 2 2 400.498 2.288 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C1)C2 ZINC001169128288 1079147286 /nfs/dbraw/zinc/14/72/86/1079147286.db2.gz CFTLOQXMBYZKCP-MDPIYQRISA-N 2 2 400.498 2.288 20 0 HEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131776 1079151403 /nfs/dbraw/zinc/15/14/03/1079151403.db2.gz YZFBUDIBDYCKMR-BZDHPDOMSA-N 2 2 406.571 2.203 20 0 HEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131776 1079151406 /nfs/dbraw/zinc/15/14/06/1079151406.db2.gz YZFBUDIBDYCKMR-BZDHPDOMSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131776 1079151408 /nfs/dbraw/zinc/15/14/08/1079151408.db2.gz YZFBUDIBDYCKMR-BZDHPDOMSA-N 2 2 406.571 2.203 20 0 HEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@]3(CCCC(=O)N3)C1)C2 ZINC001169131776 1079151412 /nfs/dbraw/zinc/15/14/12/1079151412.db2.gz YZFBUDIBDYCKMR-BZDHPDOMSA-N 2 2 406.571 2.203 20 0 HEADLP CC[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC001169261140 1079214836 /nfs/dbraw/zinc/21/48/36/1079214836.db2.gz ACWNWRXXOVFUFC-KRWDZBQOSA-N 2 2 405.539 2.391 20 0 HEADLP CC[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC001169261140 1079214839 /nfs/dbraw/zinc/21/48/39/1079214839.db2.gz ACWNWRXXOVFUFC-KRWDZBQOSA-N 2 2 405.539 2.391 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394651 1079320465 /nfs/dbraw/zinc/32/04/65/1079320465.db2.gz YRUROTZVPBNREJ-YSIASYRMSA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771394651 1079320470 /nfs/dbraw/zinc/32/04/70/1079320470.db2.gz YRUROTZVPBNREJ-YSIASYRMSA-N 2 2 423.602 2.196 20 0 HEADLP CCOC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001169639469 1079363290 /nfs/dbraw/zinc/36/32/90/1079363290.db2.gz KTCLYPYYPMKKFN-HXUWFJFHSA-N 2 2 405.539 2.498 20 0 HEADLP CCOC(=O)N1CCC[C@H]([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001169691721 1079372559 /nfs/dbraw/zinc/37/25/59/1079372559.db2.gz GCVHYEDMJMTRNV-SFHVURJKSA-N 2 2 404.559 2.133 20 0 HEADLP CCOC(=O)N1CCC[C@H]([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001169691721 1079372563 /nfs/dbraw/zinc/37/25/63/1079372563.db2.gz GCVHYEDMJMTRNV-SFHVURJKSA-N 2 2 404.559 2.133 20 0 HEADLP COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000738070764 1075957640 /nfs/dbraw/zinc/95/76/40/1075957640.db2.gz AHDWTGVXIBBHKO-HSZRJFAPSA-N 2 2 414.550 2.314 20 0 HEADLP CCOc1ccccc1N1C(=O)C(=O)N(C[NH+]2CCC(C[NH+](CC)CC)CC2)C1=O ZINC000738070057 1075957956 /nfs/dbraw/zinc/95/79/56/1075957956.db2.gz AHTVNMHLDMFEFN-UHFFFAOYSA-N 2 2 416.522 2.392 20 0 HEADLP O=C1CN(/C=C\c2ccccc2)C(=O)N1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112613 1075966144 /nfs/dbraw/zinc/96/61/44/1075966144.db2.gz YRWVFDRDFQWLPP-LCYFTJDESA-N 2 2 412.534 2.313 20 0 HEADLP Cc1ccccc1[C@]1(C)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738111558 1075966193 /nfs/dbraw/zinc/96/61/93/1075966193.db2.gz NHAZWYYHIPFBIS-QHCPKHFHSA-N 2 2 414.550 2.154 20 0 HEADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000743400047 1077042921 /nfs/dbraw/zinc/04/29/21/1077042921.db2.gz IMKPGJYEJSYOBS-OAQYLSRUSA-N 2 2 402.564 2.460 20 0 HEADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000743400047 1077042927 /nfs/dbraw/zinc/04/29/27/1077042927.db2.gz IMKPGJYEJSYOBS-OAQYLSRUSA-N 2 2 402.564 2.460 20 0 HEADLP C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000766913315 1079504196 /nfs/dbraw/zinc/50/41/96/1079504196.db2.gz JNPYLRACLSCHQE-KKSFZXQISA-N 2 2 406.546 2.496 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771996501 1079639517 /nfs/dbraw/zinc/63/95/17/1079639517.db2.gz VRVGWOGTXVSKGL-FGTMMUONSA-N 2 2 423.602 2.194 20 0 HEADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771996501 1079639537 /nfs/dbraw/zinc/63/95/37/1079639537.db2.gz VRVGWOGTXVSKGL-FGTMMUONSA-N 2 2 423.602 2.194 20 0 HEADLP C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113559 1079666411 /nfs/dbraw/zinc/66/64/11/1079666411.db2.gz WHHVVYZUABTXCI-YLJYHZDGSA-N 2 2 419.591 2.136 20 0 HEADLP C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000767113559 1079666416 /nfs/dbraw/zinc/66/64/16/1079666416.db2.gz WHHVVYZUABTXCI-YLJYHZDGSA-N 2 2 419.591 2.136 20 0 HEADLP C[N@H+](CCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000785527437 1080038812 /nfs/dbraw/zinc/03/88/12/1080038812.db2.gz KQLNGSROTOGJJA-UHFFFAOYSA-N 2 2 405.502 2.127 20 0 HEADLP C[N@@H+](CCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000785527437 1080038825 /nfs/dbraw/zinc/03/88/25/1080038825.db2.gz KQLNGSROTOGJJA-UHFFFAOYSA-N 2 2 405.502 2.127 20 0 HEADLP CN(C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786142797 1080417747 /nfs/dbraw/zinc/41/77/47/1080417747.db2.gz CTXFUEDHYYFVAU-DNVCBOLYSA-N 2 2 406.477 2.085 20 0 HEADLP CN(C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786142797 1080417751 /nfs/dbraw/zinc/41/77/51/1080417751.db2.gz CTXFUEDHYYFVAU-DNVCBOLYSA-N 2 2 406.477 2.085 20 0 HEADLP C[C@H]1[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175678 1080479982 /nfs/dbraw/zinc/47/99/82/1080479982.db2.gz UAMWIBLZSOVKBA-QFBILLFUSA-N 2 2 408.587 2.307 20 0 HEADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000746626145 1080948243 /nfs/dbraw/zinc/94/82/43/1080948243.db2.gz AGNUPUJXSLZYSJ-UHFFFAOYSA-N 2 2 413.522 2.231 20 0 HEADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000746626145 1080948250 /nfs/dbraw/zinc/94/82/50/1080948250.db2.gz AGNUPUJXSLZYSJ-UHFFFAOYSA-N 2 2 413.522 2.231 20 0 HEADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147504 1080960863 /nfs/dbraw/zinc/96/08/63/1080960863.db2.gz OYFMHQKGQHMNOZ-FGTMMUONSA-N 2 2 410.603 2.458 20 0 HEADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147504 1080960879 /nfs/dbraw/zinc/96/08/79/1080960879.db2.gz OYFMHQKGQHMNOZ-FGTMMUONSA-N 2 2 410.603 2.458 20 0 HEADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769272322 1081025746 /nfs/dbraw/zinc/02/57/46/1081025746.db2.gz GHUYVSDVDRCMGO-UHFFFAOYSA-N 2 2 408.543 2.159 20 0 HEADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000787143460 1081027233 /nfs/dbraw/zinc/02/72/33/1081027233.db2.gz LDAYVQAIVDZPRI-FQEVSTJZSA-N 2 2 423.561 2.215 20 0 HEADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@@H](CC(C)(C)C)CC3=O)CC2)CC1 ZINC000787217344 1081052617 /nfs/dbraw/zinc/05/26/17/1081052617.db2.gz AJEKESZCOVRLRQ-HXUWFJFHSA-N 2 2 406.615 2.495 20 0 HEADLP CC[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483136 1081078934 /nfs/dbraw/zinc/07/89/34/1081078934.db2.gz GNHQRRGZVSGSEZ-RTBURBONSA-N 2 2 418.586 2.354 20 0 HEADLP CC[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483136 1081078938 /nfs/dbraw/zinc/07/89/38/1081078938.db2.gz GNHQRRGZVSGSEZ-RTBURBONSA-N 2 2 418.586 2.354 20 0 HEADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000787290858 1081094771 /nfs/dbraw/zinc/09/47/71/1081094771.db2.gz NUHOGVPEWLRSSK-HXUWFJFHSA-N 2 2 409.534 2.038 20 0 HEADLP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839555 720566948 /nfs/dbraw/zinc/56/69/48/720566948.db2.gz QMRVPSRSVSAULE-BHIFYINESA-N 3 2 423.609 2.408 20 0 HEADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839555 720566965 /nfs/dbraw/zinc/56/69/65/720566965.db2.gz QMRVPSRSVSAULE-BHIFYINESA-N 3 2 423.609 2.408 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738761 720827221 /nfs/dbraw/zinc/82/72/21/720827221.db2.gz GGABAKWKGNSCQM-XUVXKRRUSA-N 2 2 424.549 2.456 20 0 HEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738761 720827223 /nfs/dbraw/zinc/82/72/23/720827223.db2.gz GGABAKWKGNSCQM-XUVXKRRUSA-N 2 2 424.549 2.456 20 0 HEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751829 720846450 /nfs/dbraw/zinc/84/64/50/720846450.db2.gz ZASHZOBRTXMREO-QHAWAJNXSA-N 2 2 422.581 2.438 20 0 HEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751829 720846453 /nfs/dbraw/zinc/84/64/53/720846453.db2.gz ZASHZOBRTXMREO-QHAWAJNXSA-N 2 2 422.581 2.438 20 0 HEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)[nH+]2)CC1 ZINC001164877828 721313769 /nfs/dbraw/zinc/31/37/69/721313769.db2.gz JUCWKCBEPJWVRD-XUVXKRRUSA-N 2 2 409.534 2.291 20 0 HEADLP COc1cc2[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)ccc2c(OC)c1 ZINC001164794859 721522095 /nfs/dbraw/zinc/52/20/95/721522095.db2.gz IPEYGZUWKNXIBM-UHFFFAOYSA-N 2 2 422.533 2.216 20 0 HEADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164808867 721565274 /nfs/dbraw/zinc/56/52/74/721565274.db2.gz WBINLRIYAUZEGI-HFMPRLQTSA-N 2 2 422.577 2.097 20 0 HEADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164808867 721565279 /nfs/dbraw/zinc/56/52/79/721565279.db2.gz WBINLRIYAUZEGI-HFMPRLQTSA-N 2 2 422.577 2.097 20 0 HEADLP