smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924709037 1108794144 /nfs/dbraw/zinc/79/41/44/1108794144.db2.gz UBPFNWJNRZDTDJ-JJTKIYQPSA-N 2 1 331.529 2.670 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683566 473135081 /nfs/dbraw/zinc/13/50/81/473135081.db2.gz UAJMGCJBDPFUHW-FQEVSTJZSA-N 2 1 343.515 2.831 10 10 EFCEMP Cc1cc(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000277361944 474583522 /nfs/dbraw/zinc/58/35/22/474583522.db2.gz FGSDFLUBTWKJND-AWEZNQCLSA-N 2 1 326.868 2.945 10 10 EFCEMP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000277361944 474583526 /nfs/dbraw/zinc/58/35/26/474583526.db2.gz FGSDFLUBTWKJND-AWEZNQCLSA-N 2 1 326.868 2.945 10 10 EFCEMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248495 477880112 /nfs/dbraw/zinc/88/01/12/477880112.db2.gz LFDCZCHDYSJCIY-CYBMUJFWSA-N 2 1 342.842 2.775 10 10 EFCEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000163238396 527814394 /nfs/dbraw/zinc/81/43/94/527814394.db2.gz PCLACOHSKXSGEV-JKSUJKDBSA-N 2 1 335.467 2.655 10 10 EFCEMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000245546924 536856254 /nfs/dbraw/zinc/85/62/54/536856254.db2.gz VZUDEJVNIXEDLJ-WMLDXEAASA-N 2 1 346.471 2.858 10 10 EFCEMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000245546924 536856259 /nfs/dbraw/zinc/85/62/59/536856259.db2.gz VZUDEJVNIXEDLJ-WMLDXEAASA-N 2 1 346.471 2.858 10 10 EFCEMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000245546924 536856263 /nfs/dbraw/zinc/85/62/63/536856263.db2.gz VZUDEJVNIXEDLJ-WMLDXEAASA-N 2 1 346.471 2.858 10 10 EFCEMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000245546925 536857409 /nfs/dbraw/zinc/85/74/09/536857409.db2.gz VZUDEJVNIXEDLJ-YOEHRIQHSA-N 2 1 346.471 2.858 10 10 EFCEMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000245546925 536857413 /nfs/dbraw/zinc/85/74/13/536857413.db2.gz VZUDEJVNIXEDLJ-YOEHRIQHSA-N 2 1 346.471 2.858 10 10 EFCEMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000245546925 536857420 /nfs/dbraw/zinc/85/74/20/536857420.db2.gz VZUDEJVNIXEDLJ-YOEHRIQHSA-N 2 1 346.471 2.858 10 10 EFCEMP CN(C)c1ccc(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850395569 1250465478 /nfs/dbraw/zinc/46/54/78/1250465478.db2.gz ASPICJBNPLPGIO-XQQSMPNESA-N 2 1 329.488 2.609 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1O ZINC000850509852 1250514730 /nfs/dbraw/zinc/51/47/30/1250514730.db2.gz UEBABDUMWKOEBV-QAPCUYQASA-N 2 1 326.440 2.810 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)ccc1O ZINC000850508101 1250516118 /nfs/dbraw/zinc/51/61/18/1250516118.db2.gz KJMLILWBQPZCSE-KBXCAEBGSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CCC[NH3+] ZINC000923389347 1261597527 /nfs/dbraw/zinc/59/75/27/1261597527.db2.gz PHIRSSAJPAPSON-YLJYHZDGSA-N 2 1 331.504 2.863 10 10 EFCEMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971883 1276413453 /nfs/dbraw/zinc/41/34/53/1276413453.db2.gz QPAVHVGJNXRYLV-DEYYWGMASA-N 2 1 337.895 2.825 10 10 EFCEMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C)cc1O ZINC000817981953 1276419628 /nfs/dbraw/zinc/41/96/28/1276419628.db2.gz AHZNOQSNNRONOE-TVPLGVNVSA-N 2 1 331.504 2.958 10 10 EFCEMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000818341848 1276510091 /nfs/dbraw/zinc/51/00/91/1276510091.db2.gz HRCYKDNLOTXXBP-QYRPDUKASA-N 2 1 343.515 2.984 10 10 EFCEMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(O)c1 ZINC000844913114 1279333780 /nfs/dbraw/zinc/33/37/80/1279333780.db2.gz ZHZYFXSVGDTRDT-KVSKMBFKSA-N 2 1 334.460 2.652 10 10 EFCEMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(O)c1 ZINC000844913115 1279334264 /nfs/dbraw/zinc/33/42/64/1279334264.db2.gz ZHZYFXSVGDTRDT-SUMDDJOVSA-N 2 1 334.460 2.652 10 10 EFCEMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(O)c1 ZINC000844913117 1279335251 /nfs/dbraw/zinc/33/52/51/1279335251.db2.gz ZHZYFXSVGDTRDT-WDYCEAGBSA-N 2 1 334.460 2.652 10 10 EFCEMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000793369789 1279582106 /nfs/dbraw/zinc/58/21/06/1279582106.db2.gz LZZCAIZHLFDMDM-UHFFFAOYSA-N 2 1 333.819 2.771 10 10 EFCEMP COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000903977058 1313526173 /nfs/dbraw/zinc/52/61/73/1313526173.db2.gz IFWBYHDUDZOZRK-GHMZBOCLSA-N 2 1 343.265 2.580 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4[C@H](C3)C4(F)F)cc2F)CC1 ZINC001346847222 1332696502 /nfs/dbraw/zinc/69/65/02/1332696502.db2.gz RHRQZSRCKGDSBF-QDMKHBRRSA-N 2 1 339.405 2.711 10 10 EFCEMP Cc1cc(Cl)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367730141 242390766 /nfs/dbraw/zinc/39/07/66/242390766.db2.gz WXRHAUIBUCHZLH-KRWDZBQOSA-N 2 1 337.895 2.566 10 10 EFCEMP Cc1cc(Cl)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367730141 242390773 /nfs/dbraw/zinc/39/07/73/242390773.db2.gz WXRHAUIBUCHZLH-KRWDZBQOSA-N 2 1 337.895 2.566 10 10 EFCEMP C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCN(CCn2cccn2)CC1 ZINC000121209977 472816787 /nfs/dbraw/zinc/81/67/87/472816787.db2.gz MSSVKWYAGXUYML-UHFFFAOYSA-N 2 1 348.878 2.839 10 10 EFCEMP C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCN(CCn2cccn2)CC1 ZINC000121209977 472816792 /nfs/dbraw/zinc/81/67/92/472816792.db2.gz MSSVKWYAGXUYML-UHFFFAOYSA-N 2 1 348.878 2.839 10 10 EFCEMP Cc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000180094674 473797302 /nfs/dbraw/zinc/79/73/02/473797302.db2.gz MDRLFSMRIUIOAO-CQSZACIVSA-N 2 1 340.895 2.879 10 10 EFCEMP Cc1cc(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000277361949 474582500 /nfs/dbraw/zinc/58/25/00/474582500.db2.gz FGSDFLUBTWKJND-CQSZACIVSA-N 2 1 326.868 2.945 10 10 EFCEMP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000277361949 474582510 /nfs/dbraw/zinc/58/25/10/474582510.db2.gz FGSDFLUBTWKJND-CQSZACIVSA-N 2 1 326.868 2.945 10 10 EFCEMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756534666 575756553 /nfs/dbraw/zinc/75/65/53/575756553.db2.gz MFSPZGUCTZQTCM-CQSZACIVSA-N 2 1 334.460 2.951 10 10 EFCEMP Cc1c[nH]c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000850235298 1250367678 /nfs/dbraw/zinc/36/76/78/1250367678.db2.gz UTHHFWNNGLPAEX-UHFFFAOYSA-N 2 1 339.487 2.540 10 10 EFCEMP Oc1cccc2c1[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000850506593 1250516100 /nfs/dbraw/zinc/51/61/00/1250516100.db2.gz ATCLMNMGARRQAX-RTBURBONSA-N 2 1 338.451 2.736 10 10 EFCEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903111 1276367089 /nfs/dbraw/zinc/36/70/89/1276367089.db2.gz IBKYKIICURBWGE-DYVFJYSZSA-N 2 1 339.430 2.844 10 10 EFCEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N(C)C)cc1 ZINC000817984004 1276424352 /nfs/dbraw/zinc/42/43/52/1276424352.db2.gz UJAUQQSHRQJYGY-VQSBYGRUSA-N 2 1 330.520 2.620 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)cc2)CC1 ZINC000814169685 1286373698 /nfs/dbraw/zinc/37/36/98/1286373698.db2.gz LUKRZYVTTPUKOE-MSOLQXFVSA-N 2 1 335.442 2.916 10 10 EFCEMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000903976881 1313525549 /nfs/dbraw/zinc/52/55/49/1313525549.db2.gz GLTKDPGSROJQBO-VXGBXAGGSA-N 2 1 327.266 2.880 10 10 EFCEMP Cc1cc(Br)cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000854227110 1300478475 /nfs/dbraw/zinc/47/84/75/1300478475.db2.gz LXQZERJMUBZZPW-NLTNOIMHSA-N 2 1 325.250 2.866 10 10 EFCEMP CCCN(CCC)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863649273 1302668862 /nfs/dbraw/zinc/66/88/62/1302668862.db2.gz XOZXUIWAUDHDSG-UHFFFAOYSA-N 2 1 343.475 2.557 10 10 EFCEMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC001262202213 1316452667 /nfs/dbraw/zinc/45/26/67/1316452667.db2.gz PVMXSEDWEBRUGX-IAGOWNOFSA-N 2 1 331.504 2.914 10 10 EFCEMP COc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000848522540 1334772259 /nfs/dbraw/zinc/77/22/59/1334772259.db2.gz WKNVPSLZMARPTM-JTQLQIEISA-N 2 1 343.265 2.908 10 10 EFCEMP COc1ccc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000161275240 715512104 /nfs/dbraw/zinc/51/21/04/715512104.db2.gz HBIPPPYXIMRUOE-UHFFFAOYSA-N 2 1 328.460 2.803 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](c4nccs4)C3)cc2)CC1 ZINC000895581806 724212108 /nfs/dbraw/zinc/21/21/08/724212108.db2.gz OKSNCEGDILIERB-KRWDZBQOSA-N 2 1 342.512 2.884 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563842 473120605 /nfs/dbraw/zinc/12/06/05/473120605.db2.gz DBBXSTMYRWVYGM-HXUWFJFHSA-N 2 1 343.515 2.974 10 10 EFCEMP [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000293640262 475045714 /nfs/dbraw/zinc/04/57/14/475045714.db2.gz NVZDUGNBOSPZPN-CYBMUJFWSA-N 2 1 330.831 2.511 10 10 EFCEMP CCN(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000773758538 581462356 /nfs/dbraw/zinc/46/23/56/581462356.db2.gz VAMMPKXBJBDSNL-OAQYLSRUSA-N 2 1 344.547 2.745 10 10 EFCEMP CCN(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000773758538 581462358 /nfs/dbraw/zinc/46/23/58/581462358.db2.gz VAMMPKXBJBDSNL-OAQYLSRUSA-N 2 1 344.547 2.745 10 10 EFCEMP Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357870 1250447139 /nfs/dbraw/zinc/44/71/39/1250447139.db2.gz WUDFUAZPGWXIPD-GOSISDBHSA-N 2 1 346.858 2.902 10 10 EFCEMP CN(C)c1ccc(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850395573 1250464596 /nfs/dbraw/zinc/46/45/96/1250464596.db2.gz ASPICJBNPLPGIO-YADGQWAMSA-N 2 1 329.488 2.609 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1O ZINC000850508108 1250515563 /nfs/dbraw/zinc/51/55/63/1250515563.db2.gz KJMLILWBQPZCSE-KSSFIOAISA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2c1c(F)ccc2O ZINC000817983165 1276422255 /nfs/dbraw/zinc/42/22/55/1276422255.db2.gz KLSKSDJPGUHKLR-VXTDNTOSSA-N 2 1 347.478 2.886 10 10 EFCEMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1O ZINC000844912123 1279362340 /nfs/dbraw/zinc/36/23/40/1279362340.db2.gz RVABAFPQVZTGPN-JFIYKMOQSA-N 2 1 334.460 2.652 10 10 EFCEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716620 1294233111 /nfs/dbraw/zinc/23/31/11/1294233111.db2.gz FDAFUBPEXHMPQV-GHTZIAJQSA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716620 1294233120 /nfs/dbraw/zinc/23/31/20/1294233120.db2.gz FDAFUBPEXHMPQV-GHTZIAJQSA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716620 1294233128 /nfs/dbraw/zinc/23/31/28/1294233128.db2.gz FDAFUBPEXHMPQV-GHTZIAJQSA-N 3 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716620 1294233134 /nfs/dbraw/zinc/23/31/34/1294233134.db2.gz FDAFUBPEXHMPQV-GHTZIAJQSA-N 2 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716620 1294233140 /nfs/dbraw/zinc/23/31/40/1294233140.db2.gz FDAFUBPEXHMPQV-GHTZIAJQSA-N 2 1 344.547 2.601 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccnc1 ZINC001199067871 1295412188 /nfs/dbraw/zinc/41/21/88/1295412188.db2.gz HQXLUGMTIBLAFZ-HNNXBMFYSA-N 2 1 328.435 2.823 10 10 EFCEMP Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906703 1313389664 /nfs/dbraw/zinc/38/96/64/1313389664.db2.gz YGFVWJCWLMXNKX-DQXYTYHJSA-N 2 1 330.472 2.904 10 10 EFCEMP CCc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1O ZINC000826941440 1315537035 /nfs/dbraw/zinc/53/70/35/1315537035.db2.gz JJXIMWXMGMOZER-FQEVSTJZSA-N 2 1 340.467 2.811 10 10 EFCEMP COC1CCC(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320082114 1329072000 /nfs/dbraw/zinc/07/20/00/1329072000.db2.gz STEVWBCDCOERKD-UHFFFAOYSA-N 2 1 349.494 2.872 10 10 EFCEMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001327802409 1330517271 /nfs/dbraw/zinc/51/72/71/1330517271.db2.gz DASMUAVWMBSIOH-FQEVSTJZSA-N 2 1 331.504 2.829 10 10 EFCEMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001327802409 1330517274 /nfs/dbraw/zinc/51/72/74/1330517274.db2.gz DASMUAVWMBSIOH-FQEVSTJZSA-N 2 1 331.504 2.829 10 10 EFCEMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001333519045 1331158561 /nfs/dbraw/zinc/15/85/61/1331158561.db2.gz JRNXWGNBOJDXBE-GOEBONIOSA-N 2 1 337.508 2.951 10 10 EFCEMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001480536732 1398197613 /nfs/dbraw/zinc/19/76/13/1398197613.db2.gz JQGRZZNYYXGZNA-INIZCTEOSA-N 2 1 349.519 2.576 10 10 EFCEMP COC(=O)c1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c2cc(F)ccc2n1C ZINC000894253658 721756350 /nfs/dbraw/zinc/75/63/50/721756350.db2.gz GBIKXGKXDMHIRS-CYBMUJFWSA-N 2 1 347.434 2.535 10 10 EFCEMP COC(=O)c1c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cc(F)ccc2n1C ZINC000894253658 721756351 /nfs/dbraw/zinc/75/63/51/721756351.db2.gz GBIKXGKXDMHIRS-CYBMUJFWSA-N 2 1 347.434 2.535 10 10 EFCEMP Fc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1N1CCOCC1 ZINC000727468171 724060957 /nfs/dbraw/zinc/06/09/57/724060957.db2.gz GFJQSPPJBUPNMA-UHFFFAOYSA-N 2 1 347.478 2.769 10 10 EFCEMP COc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000160361197 239048625 /nfs/dbraw/zinc/04/86/25/239048625.db2.gz CXYQPGLTZSYXLJ-OAHLLOKOSA-N 2 1 331.416 2.579 10 10 EFCEMP COc1cc(O)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000160361197 239048631 /nfs/dbraw/zinc/04/86/31/239048631.db2.gz CXYQPGLTZSYXLJ-OAHLLOKOSA-N 2 1 331.416 2.579 10 10 EFCEMP CN1CCc2cc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)ccc21 ZINC000328633448 258026993 /nfs/dbraw/zinc/02/69/93/258026993.db2.gz MANIVOKFAVEVEN-FPOVZHCZSA-N 2 1 336.483 2.857 10 10 EFCEMP CN1CCc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)ccc21 ZINC000328633448 258026995 /nfs/dbraw/zinc/02/69/95/258026995.db2.gz MANIVOKFAVEVEN-FPOVZHCZSA-N 2 1 336.483 2.857 10 10 EFCEMP C[C@@H]([NH2+]Cc1cccnc1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000065462486 472946761 /nfs/dbraw/zinc/94/67/61/472946761.db2.gz UVARSAUGSSCAGT-OAHLLOKOSA-N 2 1 328.435 2.823 10 10 EFCEMP C[C@H]([NH2+]Cc1cccnc1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000065462481 472947258 /nfs/dbraw/zinc/94/72/58/472947258.db2.gz UVARSAUGSSCAGT-HNNXBMFYSA-N 2 1 328.435 2.823 10 10 EFCEMP Cc1cc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000152579624 473578532 /nfs/dbraw/zinc/57/85/32/473578532.db2.gz MOZZEWYZRIAWNJ-IBGZPJMESA-N 2 1 331.504 2.611 10 10 EFCEMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000850358003 1250447270 /nfs/dbraw/zinc/44/72/70/1250447270.db2.gz YHLJSCSMVBEAFW-FQEVSTJZSA-N 2 1 340.467 2.860 10 10 EFCEMP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000850357677 1250447478 /nfs/dbraw/zinc/44/74/78/1250447478.db2.gz RGTQZNXJLUXZJN-FQEVSTJZSA-N 2 1 340.467 2.865 10 10 EFCEMP Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357871 1250448365 /nfs/dbraw/zinc/44/83/65/1250448365.db2.gz WUDFUAZPGWXIPD-SFHVURJKSA-N 2 1 346.858 2.902 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1O ZINC000850508104 1250515087 /nfs/dbraw/zinc/51/50/87/1250515087.db2.gz KJMLILWBQPZCSE-KDOFPFPSSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)ccc1O ZINC000850508113 1250516044 /nfs/dbraw/zinc/51/60/44/1250516044.db2.gz KJMLILWBQPZCSE-RDTXWAMCSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2c1c(F)ccc2O ZINC000817983161 1276423470 /nfs/dbraw/zinc/42/34/70/1276423470.db2.gz KLSKSDJPGUHKLR-GIOUXUJVSA-N 2 1 347.478 2.886 10 10 EFCEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716625 1294232580 /nfs/dbraw/zinc/23/25/80/1294232580.db2.gz FDAFUBPEXHMPQV-RXVVDRJESA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716625 1294232587 /nfs/dbraw/zinc/23/25/87/1294232587.db2.gz FDAFUBPEXHMPQV-RXVVDRJESA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716625 1294232592 /nfs/dbraw/zinc/23/25/92/1294232592.db2.gz FDAFUBPEXHMPQV-RXVVDRJESA-N 3 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716625 1294232598 /nfs/dbraw/zinc/23/25/98/1294232598.db2.gz FDAFUBPEXHMPQV-RXVVDRJESA-N 2 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000775716625 1294232601 /nfs/dbraw/zinc/23/26/01/1294232601.db2.gz FDAFUBPEXHMPQV-RXVVDRJESA-N 2 1 344.547 2.601 10 10 EFCEMP Fc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000903959708 1313492042 /nfs/dbraw/zinc/49/20/42/1313492042.db2.gz MSKXROKXAGGVGR-HXUWFJFHSA-N 2 1 347.478 2.628 10 10 EFCEMP Fc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000903959708 1313492044 /nfs/dbraw/zinc/49/20/44/1313492044.db2.gz MSKXROKXAGGVGR-HXUWFJFHSA-N 2 1 347.478 2.628 10 10 EFCEMP Cc1cc(Br)c([O-])c(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000863653065 1302670956 /nfs/dbraw/zinc/67/09/56/1302670956.db2.gz ZMQCFBWIAIQZEC-IYBDPMFKSA-N 2 1 339.277 2.895 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cc2F)CC1 ZINC001319962016 1329044321 /nfs/dbraw/zinc/04/43/21/1329044321.db2.gz IADGKKCNDRIWGR-MJGOQNOKSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)cc2F)CC1 ZINC001319962016 1329044328 /nfs/dbraw/zinc/04/43/28/1329044328.db2.gz IADGKKCNDRIWGR-MJGOQNOKSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cc2F)CC1 ZINC001319962012 1329044944 /nfs/dbraw/zinc/04/49/44/1329044944.db2.gz IADGKKCNDRIWGR-HKUYNNGSSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4COCC[C@@H]43)cc2F)CC1 ZINC001319962012 1329044950 /nfs/dbraw/zinc/04/49/50/1329044950.db2.gz IADGKKCNDRIWGR-HKUYNNGSSA-N 2 1 347.478 2.578 10 10 EFCEMP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327030806 1330401985 /nfs/dbraw/zinc/40/19/85/1330401985.db2.gz XQECPMVYNYQGCE-HKUYNNGSSA-N 2 1 335.467 2.625 10 10 EFCEMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(F)F ZINC001329499658 1330712243 /nfs/dbraw/zinc/71/22/43/1330712243.db2.gz ZHQNONCROWELPX-ZDUSSCGKSA-N 2 1 329.410 2.958 10 10 EFCEMP CC[C@H](COCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333848385 1331225484 /nfs/dbraw/zinc/22/54/84/1331225484.db2.gz XUTPDGCKQAKEIN-GOSISDBHSA-N 2 1 349.494 2.872 10 10 EFCEMP CCc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000848886469 1334962206 /nfs/dbraw/zinc/96/22/06/1334962206.db2.gz UIDZHHNJQFFAKL-LJQANCHMSA-N 2 1 331.504 2.557 10 10 EFCEMP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001480536734 1398197830 /nfs/dbraw/zinc/19/78/30/1398197830.db2.gz JQGRZZNYYXGZNA-MRXNPFEDSA-N 2 1 349.519 2.576 10 10 EFCEMP CCOc1ccc(O)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000895556063 724193900 /nfs/dbraw/zinc/19/39/00/724193900.db2.gz GDRRQJNDMAJDSH-HNNXBMFYSA-N 2 1 327.428 2.897 10 10 EFCEMP COc1cc(O)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000160361066 239048163 /nfs/dbraw/zinc/04/81/63/239048163.db2.gz CXYQPGLTZSYXLJ-HNNXBMFYSA-N 2 1 331.416 2.579 10 10 EFCEMP COc1cc(O)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000160361066 239048168 /nfs/dbraw/zinc/04/81/68/239048168.db2.gz CXYQPGLTZSYXLJ-HNNXBMFYSA-N 2 1 331.416 2.579 10 10 EFCEMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)OCO2 ZINC000246742712 240272011 /nfs/dbraw/zinc/27/20/11/240272011.db2.gz WVFJGNIEIAKBED-BBRMVZONSA-N 2 1 330.428 2.570 10 10 EFCEMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCO2 ZINC000246742712 240272023 /nfs/dbraw/zinc/27/20/23/240272023.db2.gz WVFJGNIEIAKBED-BBRMVZONSA-N 2 1 330.428 2.570 10 10 EFCEMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)OCO2 ZINC000246742712 240272039 /nfs/dbraw/zinc/27/20/39/240272039.db2.gz WVFJGNIEIAKBED-BBRMVZONSA-N 2 1 330.428 2.570 10 10 EFCEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]2CCC[C@H]21 ZINC000367592105 242384415 /nfs/dbraw/zinc/38/44/15/242384415.db2.gz AYHYLDJYDRPKPY-NZSAHSFTSA-N 2 1 347.478 2.625 10 10 EFCEMP Oc1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357771 1250448091 /nfs/dbraw/zinc/44/80/91/1250448091.db2.gz UZQFYQAEFNMBLM-INIZCTEOSA-N 2 1 346.858 2.902 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1O ZINC000850509851 1250515795 /nfs/dbraw/zinc/51/57/95/1250515795.db2.gz UEBABDUMWKOEBV-MAUKXSAKSA-N 2 1 326.440 2.810 10 10 EFCEMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000844912747 1279360437 /nfs/dbraw/zinc/36/04/37/1279360437.db2.gz WVGQDGSZVUUKJN-LZQZEXGQSA-N 2 1 335.467 2.753 10 10 EFCEMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000844912325 1279361511 /nfs/dbraw/zinc/36/15/11/1279361511.db2.gz RVABAFPQVZTGPN-LZLYRXPVSA-N 2 1 334.460 2.652 10 10 EFCEMP Fc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC000793335675 1279557287 /nfs/dbraw/zinc/55/72/87/1279557287.db2.gz GEMQKTHDYAEYQV-UHFFFAOYSA-N 2 1 347.478 2.769 10 10 EFCEMP Cc1c[nH]nc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000810152036 1282977021 /nfs/dbraw/zinc/97/70/21/1282977021.db2.gz KUADJDABUDDDPS-UHFFFAOYSA-N 2 1 339.487 2.540 10 10 EFCEMP Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906704 1313389831 /nfs/dbraw/zinc/38/98/31/1313389831.db2.gz YGFVWJCWLMXNKX-ZCTYVAAUSA-N 2 1 330.472 2.904 10 10 EFCEMP CCOCc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000903955619 1313483459 /nfs/dbraw/zinc/48/34/59/1313483459.db2.gz XRPBQXPKPSBNBE-OAHLLOKOSA-N 2 1 328.403 2.566 10 10 EFCEMP Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903980393 1313530891 /nfs/dbraw/zinc/53/08/91/1313530891.db2.gz QGLVNFKUEWBJBF-IYBDPMFKSA-N 2 1 349.906 2.755 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3CCO)cc2F)CC1 ZINC001322316260 1329446479 /nfs/dbraw/zinc/44/64/79/1329446479.db2.gz WHQJZPFDLANSOY-SFHVURJKSA-N 2 1 349.494 2.705 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CCO)cc2F)CC1 ZINC001322316260 1329446481 /nfs/dbraw/zinc/44/64/81/1329446481.db2.gz WHQJZPFDLANSOY-SFHVURJKSA-N 2 1 349.494 2.705 10 10 EFCEMP CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738720 1331013443 /nfs/dbraw/zinc/01/34/43/1331013443.db2.gz KEYHOJLNRSHZCS-NVXWUHKLSA-N 2 1 335.467 2.577 10 10 EFCEMP CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332738720 1331013450 /nfs/dbraw/zinc/01/34/50/1331013450.db2.gz KEYHOJLNRSHZCS-NVXWUHKLSA-N 2 1 335.467 2.577 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736162 1331205234 /nfs/dbraw/zinc/20/52/34/1331205234.db2.gz RCITUXOIFNTJDJ-XLIONFOSSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736162 1331205237 /nfs/dbraw/zinc/20/52/37/1331205237.db2.gz RCITUXOIFNTJDJ-XLIONFOSSA-N 2 1 347.478 2.578 10 10 EFCEMP COc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000848522541 1334771963 /nfs/dbraw/zinc/77/19/63/1334771963.db2.gz WKNVPSLZMARPTM-SNVBAGLBSA-N 2 1 343.265 2.908 10 10 EFCEMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000895671318 724252823 /nfs/dbraw/zinc/25/28/23/724252823.db2.gz JEBYNZSGJWMPEA-UHFFFAOYSA-N 2 1 343.515 2.708 10 10 EFCEMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)cccc3Br)C[C@@H]2C1 ZINC000707166386 1102232253 /nfs/dbraw/zinc/23/22/53/1102232253.db2.gz OPMXWZMLWSXSDI-NEPJUHHUSA-N 2 1 325.250 2.538 10 10 EFCEMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@@H]2C1 ZINC000707166386 1102232264 /nfs/dbraw/zinc/23/22/64/1102232264.db2.gz OPMXWZMLWSXSDI-NEPJUHHUSA-N 2 1 325.250 2.538 10 10 EFCEMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Br)C[C@@H]2C1 ZINC000707166386 1102232271 /nfs/dbraw/zinc/23/22/71/1102232271.db2.gz OPMXWZMLWSXSDI-NEPJUHHUSA-N 2 1 325.250 2.538 10 10 EFCEMP CCOc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1O ZINC000121775144 472911944 /nfs/dbraw/zinc/91/19/44/472911944.db2.gz FMXYCJWBVKKOCH-UHFFFAOYSA-N 2 1 329.444 2.979 10 10 EFCEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000746644891 1275685532 /nfs/dbraw/zinc/68/55/32/1275685532.db2.gz CSKLVMRMNPJYHH-GGPKGHCWSA-N 2 1 330.472 2.564 10 10 EFCEMP Cc1cc(C)c([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(O)c1 ZINC000817982546 1276420474 /nfs/dbraw/zinc/42/04/74/1276420474.db2.gz FGGCOLWSTUTHJO-AOCRQIFASA-N 2 1 331.504 2.876 10 10 EFCEMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)C2)cc1 ZINC000818341850 1276509697 /nfs/dbraw/zinc/50/96/97/1276509697.db2.gz HRCYKDNLOTXXBP-UMSONDCASA-N 2 1 343.515 2.984 10 10 EFCEMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000844913109 1279334360 /nfs/dbraw/zinc/33/43/60/1279334360.db2.gz ZCKYAMSOBYKONS-SUMDDJOVSA-N 2 1 334.460 2.652 10 10 EFCEMP CCCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903908752 1313393702 /nfs/dbraw/zinc/39/37/02/1313393702.db2.gz PCUWVEXMNGWNQX-QGZVFWFLSA-N 2 1 343.475 2.711 10 10 EFCEMP COc1ccc(N(C)CC[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000852753305 1299863491 /nfs/dbraw/zinc/86/34/91/1299863491.db2.gz GPBHPXRFHFAEKP-UHFFFAOYSA-N 2 1 339.483 2.909 10 10 EFCEMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC001262202215 1316452612 /nfs/dbraw/zinc/45/26/12/1316452612.db2.gz PVMXSEDWEBRUGX-SJORKVTESA-N 2 1 331.504 2.914 10 10 EFCEMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC001262202212 1316452648 /nfs/dbraw/zinc/45/26/48/1316452648.db2.gz PVMXSEDWEBRUGX-DLBZAZTESA-N 2 1 331.504 2.914 10 10 EFCEMP CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738723 1331013221 /nfs/dbraw/zinc/01/32/21/1331013221.db2.gz KEYHOJLNRSHZCS-RDJZCZTQSA-N 2 1 335.467 2.577 10 10 EFCEMP CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332738723 1331013231 /nfs/dbraw/zinc/01/32/31/1331013231.db2.gz KEYHOJLNRSHZCS-RDJZCZTQSA-N 2 1 335.467 2.577 10 10 EFCEMP CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738602 1331013553 /nfs/dbraw/zinc/01/35/53/1331013553.db2.gz KEYHOJLNRSHZCS-DOTOQJQBSA-N 2 1 335.467 2.577 10 10 EFCEMP CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332738602 1331013564 /nfs/dbraw/zinc/01/35/64/1331013564.db2.gz KEYHOJLNRSHZCS-DOTOQJQBSA-N 2 1 335.467 2.577 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CC3)cc2F)CC1 ZINC001333519076 1331158796 /nfs/dbraw/zinc/15/87/96/1331158796.db2.gz KZWONSGCDWWECN-IBGZPJMESA-N 2 1 347.478 2.769 10 10 EFCEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001333519047 1331158827 /nfs/dbraw/zinc/15/88/27/1331158827.db2.gz JRNXWGNBOJDXBE-ZBFHGGJFSA-N 2 1 337.508 2.951 10 10 EFCEMP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848562302 1334795803 /nfs/dbraw/zinc/79/58/03/1334795803.db2.gz HKTFQIGHSALPPP-BJHJDKERSA-N 2 1 327.266 2.893 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849349478 1335596942 /nfs/dbraw/zinc/59/69/42/1335596942.db2.gz AIOBZSCIGNOLEA-HXUWFJFHSA-N 2 1 343.515 2.735 10 10 EFCEMP CCOc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(O)c1 ZINC000895556601 724194369 /nfs/dbraw/zinc/19/43/69/724194369.db2.gz LIHLEZDDXTZLKR-OAHLLOKOSA-N 2 1 327.428 2.897 10 10 EFCEMP Cc1cc(C)c(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000164377291 727938291 /nfs/dbraw/zinc/93/82/91/727938291.db2.gz JXTUWFQRCQUXIE-IBGZPJMESA-N 2 1 331.504 2.611 10 10 EFCEMP Cc1cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)ccc1N(C)C ZINC001620577301 1090745708 /nfs/dbraw/zinc/74/57/08/1090745708.db2.gz BIWHVFRRFIQDCW-UHFFFAOYSA-N 2 1 331.504 2.794 10 10 EFCEMP CC[C@H]1CN(c2ccc([C@@H](C)[NH3+])cc2Br)CC[N@@H+]1C ZINC000104129686 219349742 /nfs/dbraw/zinc/34/97/42/219349742.db2.gz ZAZAKZRFAFUJLB-YPMHNXCESA-N 2 1 326.282 2.999 10 10 EFCEMP CC[C@H]1CN(c2ccc([C@@H](C)[NH3+])cc2Br)CC[N@H+]1C ZINC000104129686 219349748 /nfs/dbraw/zinc/34/97/48/219349748.db2.gz ZAZAKZRFAFUJLB-YPMHNXCESA-N 2 1 326.282 2.999 10 10 EFCEMP COc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190478550 473288630 /nfs/dbraw/zinc/28/86/30/473288630.db2.gz WLSIGAXYNHRHHJ-QGZVFWFLSA-N 2 1 341.455 2.750 10 10 EFCEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115335 473333743 /nfs/dbraw/zinc/33/37/43/473333743.db2.gz UFEVKPCGIKRBJX-QAPCUYQASA-N 2 1 332.488 2.768 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccncc1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000071825366 472574873 /nfs/dbraw/zinc/57/48/73/472574873.db2.gz JMKKIXUGDPNMEF-OAHLLOKOSA-N 2 1 328.435 2.823 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683565 473134836 /nfs/dbraw/zinc/13/48/36/473134836.db2.gz UAJMGCJBDPFUHW-HXUWFJFHSA-N 2 1 343.515 2.831 10 10 EFCEMP COc1cc(O)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1OC ZINC000180116126 473803240 /nfs/dbraw/zinc/80/32/40/473803240.db2.gz CQMZTSUPFCXLSE-UHFFFAOYSA-N 2 1 345.443 2.598 10 10 EFCEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293640261 475045284 /nfs/dbraw/zinc/04/52/84/475045284.db2.gz NVVULNIFBTVQPS-UHFFFAOYSA-N 2 1 343.874 2.548 10 10 EFCEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000163238519 527745012 /nfs/dbraw/zinc/74/50/12/527745012.db2.gz PCLACOHSKXSGEV-HOTGVXAUSA-N 2 1 335.467 2.655 10 10 EFCEMP Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000850506589 1250516003 /nfs/dbraw/zinc/51/60/03/1250516003.db2.gz ATCLMNMGARRQAX-OALUTQOASA-N 2 1 338.451 2.736 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1O ZINC000850509850 1250516016 /nfs/dbraw/zinc/51/60/16/1250516016.db2.gz UEBABDUMWKOEBV-CRAIPNDOSA-N 2 1 326.440 2.810 10 10 EFCEMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(N2CCOCC2)cc1 ZINC000923317891 1261452879 /nfs/dbraw/zinc/45/28/79/1261452879.db2.gz HADMIOVRVSTIPO-IHWFROFDSA-N 2 1 343.515 2.876 10 10 EFCEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903113 1276367184 /nfs/dbraw/zinc/36/71/84/1276367184.db2.gz IBKYKIICURBWGE-SUMWQHHRSA-N 2 1 339.430 2.844 10 10 EFCEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903112 1276367819 /nfs/dbraw/zinc/36/78/19/1276367819.db2.gz IBKYKIICURBWGE-GUYCJALGSA-N 2 1 339.430 2.844 10 10 EFCEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N(C)C)cc1 ZINC000817984003 1276424526 /nfs/dbraw/zinc/42/45/26/1276424526.db2.gz UJAUQQSHRQJYGY-PPDQVPDSSA-N 2 1 330.520 2.620 10 10 EFCEMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441508 1312687141 /nfs/dbraw/zinc/68/71/41/1312687141.db2.gz VPJUNMFLFPMQRL-YPMHNXCESA-N 2 1 327.266 2.832 10 10 EFCEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716622 1294232974 /nfs/dbraw/zinc/23/29/74/1294232974.db2.gz FDAFUBPEXHMPQV-NQIIRXRSSA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716622 1294232980 /nfs/dbraw/zinc/23/29/80/1294232980.db2.gz FDAFUBPEXHMPQV-NQIIRXRSSA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716622 1294232986 /nfs/dbraw/zinc/23/29/86/1294232986.db2.gz FDAFUBPEXHMPQV-NQIIRXRSSA-N 3 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716622 1294232990 /nfs/dbraw/zinc/23/29/90/1294232990.db2.gz FDAFUBPEXHMPQV-NQIIRXRSSA-N 2 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716622 1294232992 /nfs/dbraw/zinc/23/29/92/1294232992.db2.gz FDAFUBPEXHMPQV-NQIIRXRSSA-N 2 1 344.547 2.601 10 10 EFCEMP Cc1cc(Br)cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000854227112 1300479557 /nfs/dbraw/zinc/47/95/57/1300479557.db2.gz LXQZERJMUBZZPW-RWWNRMGGSA-N 2 1 325.250 2.866 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2F)CC1 ZINC001333736164 1331205669 /nfs/dbraw/zinc/20/56/69/1331205669.db2.gz RCITUXOIFNTJDJ-YLJYHZDGSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2F)CC1 ZINC001333736164 1331205673 /nfs/dbraw/zinc/20/56/73/1331205673.db2.gz RCITUXOIFNTJDJ-YLJYHZDGSA-N 2 1 347.478 2.578 10 10 EFCEMP COc1c(O)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000849350832 1335596922 /nfs/dbraw/zinc/59/69/22/1335596922.db2.gz XVWCIQKUMDTIMU-CQSZACIVSA-N 2 1 349.431 2.521 10 10 EFCEMP COc1c(O)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000849350832 1335596924 /nfs/dbraw/zinc/59/69/24/1335596924.db2.gz XVWCIQKUMDTIMU-CQSZACIVSA-N 2 1 349.431 2.521 10 10 EFCEMP COC(=O)c1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cc(F)ccc2n1C ZINC000894253659 721756354 /nfs/dbraw/zinc/75/63/54/721756354.db2.gz GBIKXGKXDMHIRS-ZDUSSCGKSA-N 2 1 347.434 2.535 10 10 EFCEMP COC(=O)c1c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cc(F)ccc2n1C ZINC000894253659 721756356 /nfs/dbraw/zinc/75/63/56/721756356.db2.gz GBIKXGKXDMHIRS-ZDUSSCGKSA-N 2 1 347.434 2.535 10 10 EFCEMP CCOc1ccc(O)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000895556064 724193976 /nfs/dbraw/zinc/19/39/76/724193976.db2.gz GDRRQJNDMAJDSH-OAHLLOKOSA-N 2 1 327.428 2.897 10 10 EFCEMP C[C@@H]([NH3+])c1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)c(Br)c1 ZINC000103956351 219332637 /nfs/dbraw/zinc/33/26/37/219332637.db2.gz SLHHIWAZQIVWAN-NEPJUHHUSA-N 2 1 326.282 2.857 10 10 EFCEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000367592107 242385286 /nfs/dbraw/zinc/38/52/86/242385286.db2.gz AYHYLDJYDRPKPY-YTQUADARSA-N 2 1 347.478 2.625 10 10 EFCEMP [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000293640263 475044786 /nfs/dbraw/zinc/04/47/86/475044786.db2.gz NVZDUGNBOSPZPN-ZDUSSCGKSA-N 2 1 330.831 2.511 10 10 EFCEMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756609092 575767368 /nfs/dbraw/zinc/76/73/68/575767368.db2.gz FGOUIBBOZVCHSN-CQSZACIVSA-N 2 1 334.460 2.951 10 10 EFCEMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)C2)cc1 ZINC000850488935 1250500785 /nfs/dbraw/zinc/50/07/85/1250500785.db2.gz VWVCCCUTQSKDIN-QLIIJSOBSA-N 2 1 329.488 2.736 10 10 EFCEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903110 1276367485 /nfs/dbraw/zinc/36/74/85/1276367485.db2.gz IBKYKIICURBWGE-CXAGYDPISA-N 2 1 339.430 2.844 10 10 EFCEMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844902186 1279325100 /nfs/dbraw/zinc/32/51/00/1279325100.db2.gz KQDQALAVHCXTMK-QVUPPKKDSA-N 2 1 343.515 2.984 10 10 EFCEMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844902184 1279325481 /nfs/dbraw/zinc/32/54/81/1279325481.db2.gz KQDQALAVHCXTMK-LZFIGKGJSA-N 2 1 343.515 2.984 10 10 EFCEMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000844913111 1279334723 /nfs/dbraw/zinc/33/47/23/1279334723.db2.gz ZCKYAMSOBYKONS-WDYCEAGBSA-N 2 1 334.460 2.652 10 10 EFCEMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000844910832 1279359224 /nfs/dbraw/zinc/35/92/24/1279359224.db2.gz KBBWXWKABICLSX-RLLQIKCJSA-N 2 1 331.504 2.922 10 10 EFCEMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000844910831 1279359478 /nfs/dbraw/zinc/35/94/78/1279359478.db2.gz KBBWXWKABICLSX-MISYRCLQSA-N 2 1 331.504 2.922 10 10 EFCEMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000844912743 1279360400 /nfs/dbraw/zinc/36/04/00/1279360400.db2.gz WVGQDGSZVUUKJN-IPELMVKDSA-N 2 1 335.467 2.753 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3CCO)cc2)CC1 ZINC000793610957 1279774114 /nfs/dbraw/zinc/77/41/14/1279774114.db2.gz ZMYVPQWPUIVPIJ-LJQANCHMSA-N 2 1 331.504 2.565 10 10 EFCEMP COc1ccc(N2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903885729 1313349484 /nfs/dbraw/zinc/34/94/84/1313349484.db2.gz KBENXYLIZHARCT-AYHJJNSGSA-N 2 1 329.488 2.738 10 10 EFCEMP CCCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903908751 1313393788 /nfs/dbraw/zinc/39/37/88/1313393788.db2.gz PCUWVEXMNGWNQX-KRWDZBQOSA-N 2 1 343.475 2.711 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3CCO)cc2F)CC1 ZINC001322316259 1329446405 /nfs/dbraw/zinc/44/64/05/1329446405.db2.gz WHQJZPFDLANSOY-GOSISDBHSA-N 2 1 349.494 2.705 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3CCO)cc2F)CC1 ZINC001322316259 1329446408 /nfs/dbraw/zinc/44/64/08/1329446408.db2.gz WHQJZPFDLANSOY-GOSISDBHSA-N 2 1 349.494 2.705 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C3([C@H]4CCCCO4)CC3)cc2F)CC1 ZINC001333519077 1331158525 /nfs/dbraw/zinc/15/85/25/1331158525.db2.gz KZWONSGCDWWECN-LJQANCHMSA-N 2 1 347.478 2.769 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736160 1331205217 /nfs/dbraw/zinc/20/52/17/1331205217.db2.gz RCITUXOIFNTJDJ-PXNSSMCTSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736160 1331205220 /nfs/dbraw/zinc/20/52/20/1331205220.db2.gz RCITUXOIFNTJDJ-PXNSSMCTSA-N 2 1 347.478 2.578 10 10 EFCEMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC001346206253 1332611062 /nfs/dbraw/zinc/61/10/62/1332611062.db2.gz QOXIIIVSUQNLBW-QGZVFWFLSA-N 2 1 335.467 2.578 10 10 EFCEMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC001346206253 1332611068 /nfs/dbraw/zinc/61/10/68/1332611068.db2.gz QOXIIIVSUQNLBW-QGZVFWFLSA-N 2 1 335.467 2.578 10 10 EFCEMP CCOc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1O ZINC000895558304 724194586 /nfs/dbraw/zinc/19/45/86/724194586.db2.gz VLMYMEAVSWAHLM-OAHLLOKOSA-N 2 1 327.428 2.897 10 10 EFCEMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000895672063 724253338 /nfs/dbraw/zinc/25/33/38/724253338.db2.gz VJKQEAIJJOMVSL-UHFFFAOYSA-N 2 1 329.488 2.583 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369536062 476424885 /nfs/dbraw/zinc/42/48/85/476424885.db2.gz DRXYJOTZYIBCES-UHFFFAOYSA-N 2 1 329.488 2.630 10 10 EFCEMP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000850357678 1250447234 /nfs/dbraw/zinc/44/72/34/1250447234.db2.gz RGTQZNXJLUXZJN-HXUWFJFHSA-N 2 1 340.467 2.865 10 10 EFCEMP Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000850506587 1250515025 /nfs/dbraw/zinc/51/50/25/1250515025.db2.gz ATCLMNMGARRQAX-MOPGFXCFSA-N 2 1 338.451 2.736 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509708 1250515178 /nfs/dbraw/zinc/51/51/78/1250515178.db2.gz RCJXAQHWMMNKTR-KSSFIOAISA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509708 1250515185 /nfs/dbraw/zinc/51/51/85/1250515185.db2.gz RCJXAQHWMMNKTR-KSSFIOAISA-N 2 1 344.430 2.949 10 10 EFCEMP CCCc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000825084251 1278408402 /nfs/dbraw/zinc/40/84/02/1278408402.db2.gz CSLMNQKGRXRRLP-UHFFFAOYSA-N 2 1 328.460 2.669 10 10 EFCEMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)C2)cc1 ZINC000818341849 1276510326 /nfs/dbraw/zinc/51/03/26/1276510326.db2.gz HRCYKDNLOTXXBP-RCOXNQKVSA-N 2 1 343.515 2.984 10 10 EFCEMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000844913110 1279334919 /nfs/dbraw/zinc/33/49/19/1279334919.db2.gz ZCKYAMSOBYKONS-SZVBFZGTSA-N 2 1 334.460 2.652 10 10 EFCEMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000845996008 1279988791 /nfs/dbraw/zinc/98/87/91/1279988791.db2.gz IWMQXDGQNJQJEP-UHFFFAOYSA-N 3 1 332.536 2.506 10 10 EFCEMP CC(C)C[N@H+](C)CCCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000845996008 1279988798 /nfs/dbraw/zinc/98/87/98/1279988798.db2.gz IWMQXDGQNJQJEP-UHFFFAOYSA-N 2 1 332.536 2.506 10 10 EFCEMP CC(C)C[N@@H+](C)CCCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000845996008 1279988806 /nfs/dbraw/zinc/98/88/06/1279988806.db2.gz IWMQXDGQNJQJEP-UHFFFAOYSA-N 2 1 332.536 2.506 10 10 EFCEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716627 1294232858 /nfs/dbraw/zinc/23/28/58/1294232858.db2.gz FDAFUBPEXHMPQV-WIYYLYMNSA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716627 1294232862 /nfs/dbraw/zinc/23/28/62/1294232862.db2.gz FDAFUBPEXHMPQV-WIYYLYMNSA-N 3 1 344.547 2.601 10 10 EFCEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716627 1294232869 /nfs/dbraw/zinc/23/28/69/1294232869.db2.gz FDAFUBPEXHMPQV-WIYYLYMNSA-N 3 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716627 1294232875 /nfs/dbraw/zinc/23/28/75/1294232875.db2.gz FDAFUBPEXHMPQV-WIYYLYMNSA-N 2 1 344.547 2.601 10 10 EFCEMP CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000775716627 1294232880 /nfs/dbraw/zinc/23/28/80/1294232880.db2.gz FDAFUBPEXHMPQV-WIYYLYMNSA-N 2 1 344.547 2.601 10 10 EFCEMP CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000903955618 1313483131 /nfs/dbraw/zinc/48/31/31/1313483131.db2.gz XRPBQXPKPSBNBE-HNNXBMFYSA-N 2 1 328.403 2.566 10 10 EFCEMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000930172048 1304279298 /nfs/dbraw/zinc/27/92/98/1304279298.db2.gz ZAJQZGMSLFHMBB-UHFFFAOYSA-N 2 1 329.488 2.583 10 10 EFCEMP C[N@H+]1CCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000930172048 1304279303 /nfs/dbraw/zinc/27/93/03/1304279303.db2.gz ZAJQZGMSLFHMBB-UHFFFAOYSA-N 2 1 329.488 2.583 10 10 EFCEMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccn1 ZINC001328059374 1330547242 /nfs/dbraw/zinc/54/72/42/1330547242.db2.gz DCJSIQNTYJDWQK-INIZCTEOSA-N 2 1 342.462 2.866 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C(C)(C)C)cc2F)CC1 ZINC001328157558 1330564512 /nfs/dbraw/zinc/56/45/12/1330564512.db2.gz BTFFRKHSYUVICB-KRWDZBQOSA-N 2 1 348.510 2.540 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CC3(F)F)cc2F)CC1 ZINC001328571184 1330603504 /nfs/dbraw/zinc/60/35/04/1330603504.db2.gz DEMRKSIEDWYYME-CQSZACIVSA-N 2 1 327.394 2.712 10 10 EFCEMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccncc1 ZINC001331498758 1330844198 /nfs/dbraw/zinc/84/41/98/1330844198.db2.gz ROASFHPBFRQXBO-INIZCTEOSA-N 2 1 342.462 2.866 10 10 EFCEMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccncc1 ZINC001331499545 1330844250 /nfs/dbraw/zinc/84/42/50/1330844250.db2.gz ROASFHPBFRQXBO-MRXNPFEDSA-N 2 1 342.462 2.866 10 10 EFCEMP CCc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000848886466 1334961607 /nfs/dbraw/zinc/96/16/07/1334961607.db2.gz UIDZHHNJQFFAKL-IBGZPJMESA-N 2 1 331.504 2.557 10 10 EFCEMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000849349734 1335596541 /nfs/dbraw/zinc/59/65/41/1335596541.db2.gz GEOCGQBXZWWDNK-OAHLLOKOSA-N 2 1 334.460 2.621 10 10 EFCEMP CC[N@@H+]1CCN(c2ccc([C@H](C)[NH3+])cc2Br)C[C@@H]1C ZINC000104128455 219350186 /nfs/dbraw/zinc/35/01/86/219350186.db2.gz YCTLPAJWUGJQPX-RYUDHWBXSA-N 2 1 326.282 2.999 10 10 EFCEMP CC[N@H+]1CCN(c2ccc([C@H](C)[NH3+])cc2Br)C[C@@H]1C ZINC000104128455 219350190 /nfs/dbraw/zinc/35/01/90/219350190.db2.gz YCTLPAJWUGJQPX-RYUDHWBXSA-N 2 1 326.282 2.999 10 10 EFCEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000367592104 242385467 /nfs/dbraw/zinc/38/54/67/242385467.db2.gz AYHYLDJYDRPKPY-NEWSRXKRSA-N 2 1 347.478 2.625 10 10 EFCEMP Cc1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367730142 242390538 /nfs/dbraw/zinc/39/05/38/242390538.db2.gz WXRHAUIBUCHZLH-QGZVFWFLSA-N 2 1 337.895 2.566 10 10 EFCEMP Cc1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367730142 242390544 /nfs/dbraw/zinc/39/05/44/242390544.db2.gz WXRHAUIBUCHZLH-QGZVFWFLSA-N 2 1 337.895 2.566 10 10 EFCEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115348 473333346 /nfs/dbraw/zinc/33/33/46/473333346.db2.gz UFEVKPCGIKRBJX-MAUKXSAKSA-N 2 1 332.488 2.768 10 10 EFCEMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115366 473334339 /nfs/dbraw/zinc/33/43/39/473334339.db2.gz UFEVKPCGIKRBJX-CRAIPNDOSA-N 2 1 332.488 2.768 10 10 EFCEMP CC[NH+]1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278513854 474673871 /nfs/dbraw/zinc/67/38/71/474673871.db2.gz QIIYXUCXMCICOE-UHFFFAOYSA-N 2 1 337.420 2.521 10 10 EFCEMP c1csc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768669203 577293734 /nfs/dbraw/zinc/29/37/34/577293734.db2.gz FJVSCSRIEHJSQM-UHFFFAOYSA-N 2 1 342.512 2.965 10 10 EFCEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365856 /nfs/dbraw/zinc/36/58/56/577365856.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 2 1 349.494 2.824 10 10 EFCEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365858 /nfs/dbraw/zinc/36/58/58/577365858.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 2 1 349.494 2.824 10 10 EFCEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365860 /nfs/dbraw/zinc/36/58/60/577365860.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 2 1 349.494 2.824 10 10 EFCEMP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000850357562 1250447071 /nfs/dbraw/zinc/44/70/71/1250447071.db2.gz NSJNTTCGFQFASI-LJQANCHMSA-N 2 1 326.440 2.557 10 10 EFCEMP CN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357624 1250447326 /nfs/dbraw/zinc/44/73/26/1250447326.db2.gz PVIFIGRDCORIDV-OAQYLSRUSA-N 2 1 339.483 2.609 10 10 EFCEMP CN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357623 1250447337 /nfs/dbraw/zinc/44/73/37/1250447337.db2.gz PVIFIGRDCORIDV-NRFANRHFSA-N 2 1 339.483 2.609 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509706 1250515901 /nfs/dbraw/zinc/51/59/01/1250515901.db2.gz RCJXAQHWMMNKTR-KBXCAEBGSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509706 1250515909 /nfs/dbraw/zinc/51/59/09/1250515909.db2.gz RCJXAQHWMMNKTR-KBXCAEBGSA-N 2 1 344.430 2.949 10 10 EFCEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000746644897 1275685305 /nfs/dbraw/zinc/68/53/05/1275685305.db2.gz CSKLVMRMNPJYHH-WSTZPKSXSA-N 2 1 330.472 2.564 10 10 EFCEMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000815041918 1287284004 /nfs/dbraw/zinc/28/40/04/1287284004.db2.gz FQJWWEKFZOSXIN-HXUWFJFHSA-N 2 1 344.547 2.663 10 10 EFCEMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1N(C)C ZINC000815041918 1287284006 /nfs/dbraw/zinc/28/40/06/1287284006.db2.gz FQJWWEKFZOSXIN-HXUWFJFHSA-N 2 1 344.547 2.663 10 10 EFCEMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000844910830 1279358713 /nfs/dbraw/zinc/35/87/13/1279358713.db2.gz KBBWXWKABICLSX-DFQSSKMNSA-N 2 1 331.504 2.922 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CCO)cc2)CC1 ZINC000793610954 1279774063 /nfs/dbraw/zinc/77/40/63/1279774063.db2.gz ZMYVPQWPUIVPIJ-IBGZPJMESA-N 2 1 331.504 2.565 10 10 EFCEMP Cc1cc(Cl)cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000809787461 1282484530 /nfs/dbraw/zinc/48/45/30/1282484530.db2.gz DMSMCFJBTKZURN-UHFFFAOYSA-N 2 1 327.900 2.669 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)cc2)CC1 ZINC000814169690 1286373959 /nfs/dbraw/zinc/37/39/59/1286373959.db2.gz LUKRZYVTTPUKOE-ZWKOTPCHSA-N 2 1 335.442 2.916 10 10 EFCEMP Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903974227 1313521570 /nfs/dbraw/zinc/52/15/70/1313521570.db2.gz MMYYNTHTPFZSKT-VXGBXAGGSA-N 2 1 327.266 2.798 10 10 EFCEMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746531 1299856993 /nfs/dbraw/zinc/85/69/93/1299856993.db2.gz MZCMMWJMRHNZLF-LJQANCHMSA-N 2 1 329.488 2.630 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514413 1316416389 /nfs/dbraw/zinc/41/63/89/1316416389.db2.gz AQMCREHWWVMQGM-QGZVFWFLSA-N 2 1 339.405 2.809 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514413 1316416390 /nfs/dbraw/zinc/41/63/90/1316416390.db2.gz AQMCREHWWVMQGM-QGZVFWFLSA-N 2 1 339.405 2.809 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C(C)(C)C3(F)F)cc2F)CC1 ZINC001327590589 1330499009 /nfs/dbraw/zinc/49/90/09/1330499009.db2.gz KKEFDDHJZIQUDY-INIZCTEOSA-N 2 1 341.421 2.958 10 10 EFCEMP C[NH+]1CCN(c2ccc(CN3CCO[C@](C)(C4CC4)C3)cc2F)CC1 ZINC001327924936 1330530346 /nfs/dbraw/zinc/53/03/46/1330530346.db2.gz YGOWJRCJTYXEDW-FQEVSTJZSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCSC3)cc2F)CC1 ZINC001329288394 1330690420 /nfs/dbraw/zinc/69/04/20/1330690420.db2.gz XTMLPFIRMQJQAZ-HNNXBMFYSA-N 2 1 337.508 2.810 10 10 EFCEMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(F)F ZINC001329499657 1330712413 /nfs/dbraw/zinc/71/24/13/1330712413.db2.gz ZHQNONCROWELPX-CYBMUJFWSA-N 2 1 329.410 2.958 10 10 EFCEMP COc1cc(O)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000849349733 1335596605 /nfs/dbraw/zinc/59/66/05/1335596605.db2.gz GEOCGQBXZWWDNK-HNNXBMFYSA-N 2 1 334.460 2.621 10 10 EFCEMP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)c(Cl)cc1O ZINC000925813834 718848109 /nfs/dbraw/zinc/84/81/09/718848109.db2.gz ZSPFILOYAJIMSL-SNVBAGLBSA-N 2 1 332.275 2.773 10 10 EFCEMP CCOc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1O ZINC000895558302 724194656 /nfs/dbraw/zinc/19/46/56/724194656.db2.gz VLMYMEAVSWAHLM-HNNXBMFYSA-N 2 1 327.428 2.897 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](c4nccs4)C3)cc2)CC1 ZINC000895581807 724211870 /nfs/dbraw/zinc/21/18/70/724211870.db2.gz OKSNCEGDILIERB-QGZVFWFLSA-N 2 1 342.512 2.884 10 10 EFCEMP CC[C@@H]1CN(c2ccc([C@@H](C)[NH3+])cc2Br)CC[N@@H+]1C ZINC000104129682 219349611 /nfs/dbraw/zinc/34/96/11/219349611.db2.gz ZAZAKZRFAFUJLB-DGCLKSJQSA-N 2 1 326.282 2.999 10 10 EFCEMP CC[C@@H]1CN(c2ccc([C@@H](C)[NH3+])cc2Br)CC[N@H+]1C ZINC000104129682 219349615 /nfs/dbraw/zinc/34/96/15/219349615.db2.gz ZAZAKZRFAFUJLB-DGCLKSJQSA-N 2 1 326.282 2.999 10 10 EFCEMP Cc1cc(Cl)cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000289410616 474259438 /nfs/dbraw/zinc/25/94/38/474259438.db2.gz HSIOZBBSUXAPEN-UHFFFAOYSA-N 2 1 339.911 2.812 10 10 EFCEMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756609083 575767355 /nfs/dbraw/zinc/76/73/55/575767355.db2.gz FGOUIBBOZVCHSN-AWEZNQCLSA-N 2 1 334.460 2.951 10 10 EFCEMP CCN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000773758537 581462307 /nfs/dbraw/zinc/46/23/07/581462307.db2.gz VAMMPKXBJBDSNL-NRFANRHFSA-N 2 1 344.547 2.745 10 10 EFCEMP CCN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000773758537 581462309 /nfs/dbraw/zinc/46/23/09/581462309.db2.gz VAMMPKXBJBDSNL-NRFANRHFSA-N 2 1 344.547 2.745 10 10 EFCEMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000850358004 1250448241 /nfs/dbraw/zinc/44/82/41/1250448241.db2.gz YHLJSCSMVBEAFW-HXUWFJFHSA-N 2 1 340.467 2.860 10 10 EFCEMP Oc1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357772 1250448294 /nfs/dbraw/zinc/44/82/94/1250448294.db2.gz UZQFYQAEFNMBLM-MRXNPFEDSA-N 2 1 346.858 2.902 10 10 EFCEMP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000850357561 1250448443 /nfs/dbraw/zinc/44/84/43/1250448443.db2.gz NSJNTTCGFQFASI-IBGZPJMESA-N 2 1 326.440 2.557 10 10 EFCEMP CN(C)c1ccc(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850395566 1250464360 /nfs/dbraw/zinc/46/43/60/1250464360.db2.gz ASPICJBNPLPGIO-WUUFJKRQSA-N 2 1 329.488 2.609 10 10 EFCEMP COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000738226871 1268409092 /nfs/dbraw/zinc/40/90/92/1268409092.db2.gz IYDNHNUOLWVEGG-AWEZNQCLSA-N 2 1 342.439 2.716 10 10 EFCEMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971886 1276413444 /nfs/dbraw/zinc/41/34/44/1276413444.db2.gz QPAVHVGJNXRYLV-SUNYJGFJSA-N 2 1 337.895 2.825 10 10 EFCEMP Cc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(O)c1C ZINC000817983565 1276421026 /nfs/dbraw/zinc/42/10/26/1276421026.db2.gz NXJPSVGBCIBJGQ-AOCRQIFASA-N 2 1 331.504 2.876 10 10 EFCEMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(O)c1 ZINC000844913116 1279335127 /nfs/dbraw/zinc/33/51/27/1279335127.db2.gz ZHZYFXSVGDTRDT-SZVBFZGTSA-N 2 1 334.460 2.652 10 10 EFCEMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000844922939 1279343450 /nfs/dbraw/zinc/34/34/50/1279343450.db2.gz FHWOMPYWFRGOLD-ZDUSSCGKSA-N 2 1 328.412 2.749 10 10 EFCEMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000844910833 1279358814 /nfs/dbraw/zinc/35/88/14/1279358814.db2.gz KBBWXWKABICLSX-SXLOBPIMSA-N 2 1 331.504 2.922 10 10 EFCEMP CC[N@@H+](CCc1nccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775726508 1294288518 /nfs/dbraw/zinc/28/85/18/1294288518.db2.gz SPJQSVNHPOQSRL-UHFFFAOYSA-N 2 1 344.528 2.960 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cc2F)CC1 ZINC001319962248 1329044770 /nfs/dbraw/zinc/04/47/70/1329044770.db2.gz IADGKKCNDRIWGR-PKOBYXMFSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4COCC[C@H]43)cc2F)CC1 ZINC001319962248 1329044775 /nfs/dbraw/zinc/04/47/75/1329044775.db2.gz IADGKKCNDRIWGR-PKOBYXMFSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC(C)(C)O3)cc2F)CC1 ZINC001320764833 1329183383 /nfs/dbraw/zinc/18/33/83/1329183383.db2.gz LLUJVMBULKNSDZ-MRXNPFEDSA-N 2 1 335.467 2.625 10 10 EFCEMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001327802411 1330517034 /nfs/dbraw/zinc/51/70/34/1330517034.db2.gz DASMUAVWMBSIOH-HXUWFJFHSA-N 2 1 331.504 2.829 10 10 EFCEMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001327802411 1330517036 /nfs/dbraw/zinc/51/70/36/1330517036.db2.gz DASMUAVWMBSIOH-HXUWFJFHSA-N 2 1 331.504 2.829 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C(C)(C)C)cc2F)CC1 ZINC001328157559 1330564337 /nfs/dbraw/zinc/56/43/37/1330564337.db2.gz BTFFRKHSYUVICB-QGZVFWFLSA-N 2 1 348.510 2.540 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CC3(F)F)cc2F)CC1 ZINC001328571183 1330603154 /nfs/dbraw/zinc/60/31/54/1330603154.db2.gz DEMRKSIEDWYYME-AWEZNQCLSA-N 2 1 327.394 2.712 10 10 EFCEMP COc1c(O)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000849350831 1335596878 /nfs/dbraw/zinc/59/68/78/1335596878.db2.gz XVWCIQKUMDTIMU-AWEZNQCLSA-N 2 1 349.431 2.521 10 10 EFCEMP COc1c(O)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000849350831 1335596879 /nfs/dbraw/zinc/59/68/79/1335596879.db2.gz XVWCIQKUMDTIMU-AWEZNQCLSA-N 2 1 349.431 2.521 10 10 EFCEMP CC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(N(C)C)cc1 ZINC000925847654 719788188 /nfs/dbraw/zinc/78/81/88/719788188.db2.gz ZIIMZRUNVJQINW-HXUWFJFHSA-N 2 1 332.536 2.869 10 10 EFCEMP CC[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(N(C)C)cc1 ZINC000925847652 719788316 /nfs/dbraw/zinc/78/83/16/719788316.db2.gz ZIIMZRUNVJQINW-FQEVSTJZSA-N 2 1 332.536 2.869 10 10 EFCEMP COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000738226872 727942368 /nfs/dbraw/zinc/94/23/68/727942368.db2.gz IYDNHNUOLWVEGG-CQSZACIVSA-N 2 1 342.439 2.716 10 10 EFCEMP CCOc1ccc(O)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121799236 472916779 /nfs/dbraw/zinc/91/67/79/472916779.db2.gz UUVQCYXTOHDGHP-UHFFFAOYSA-N 2 1 329.444 2.979 10 10 EFCEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)[nH+]1 ZINC000092813359 472991889 /nfs/dbraw/zinc/99/18/89/472991889.db2.gz QYEUHULBRUIYMC-AWEZNQCLSA-N 2 1 341.411 2.758 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563841 473120094 /nfs/dbraw/zinc/12/00/94/473120094.db2.gz DBBXSTMYRWVYGM-FQEVSTJZSA-N 2 1 343.515 2.974 10 10 EFCEMP Cc1cc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000152579728 473578604 /nfs/dbraw/zinc/57/86/04/473578604.db2.gz MOZZEWYZRIAWNJ-LJQANCHMSA-N 2 1 331.504 2.611 10 10 EFCEMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756534665 575756618 /nfs/dbraw/zinc/75/66/18/575756618.db2.gz MFSPZGUCTZQTCM-AWEZNQCLSA-N 2 1 334.460 2.951 10 10 EFCEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482785 577365838 /nfs/dbraw/zinc/36/58/38/577365838.db2.gz FFOSSBOWASVATL-QFBILLFUSA-N 2 1 349.494 2.824 10 10 EFCEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482785 577365839 /nfs/dbraw/zinc/36/58/39/577365839.db2.gz FFOSSBOWASVATL-QFBILLFUSA-N 2 1 349.494 2.824 10 10 EFCEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482785 577365841 /nfs/dbraw/zinc/36/58/41/577365841.db2.gz FFOSSBOWASVATL-QFBILLFUSA-N 2 1 349.494 2.824 10 10 EFCEMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)C2)cc1 ZINC000850488933 1250500603 /nfs/dbraw/zinc/50/06/03/1250500603.db2.gz VWVCCCUTQSKDIN-OBZTUIKSSA-N 2 1 329.488 2.736 10 10 EFCEMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)C2)cc1 ZINC000850488930 1250501266 /nfs/dbraw/zinc/50/12/66/1250501266.db2.gz VWVCCCUTQSKDIN-KCUHQSDYSA-N 2 1 329.488 2.736 10 10 EFCEMP Oc1cccc2c1[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000850506591 1250514896 /nfs/dbraw/zinc/51/48/96/1250514896.db2.gz ATCLMNMGARRQAX-RBUKOAKNSA-N 2 1 338.451 2.736 10 10 EFCEMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844902185 1279325684 /nfs/dbraw/zinc/32/56/84/1279325684.db2.gz KQDQALAVHCXTMK-MUWLMXOISA-N 2 1 343.515 2.984 10 10 EFCEMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000844922936 1279344132 /nfs/dbraw/zinc/34/41/32/1279344132.db2.gz FHWOMPYWFRGOLD-CYBMUJFWSA-N 2 1 328.412 2.749 10 10 EFCEMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000844912741 1279360287 /nfs/dbraw/zinc/36/02/87/1279360287.db2.gz WVGQDGSZVUUKJN-ATZDWAIDSA-N 2 1 335.467 2.753 10 10 EFCEMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000844912745 1279360942 /nfs/dbraw/zinc/36/09/42/1279360942.db2.gz WVGQDGSZVUUKJN-KFKAGJAMSA-N 2 1 335.467 2.753 10 10 EFCEMP COc1ccc(N(C)CC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000846225346 1280075514 /nfs/dbraw/zinc/07/55/14/1280075514.db2.gz MZOCZRMTLFPYQX-UHFFFAOYSA-N 2 1 339.483 2.909 10 10 EFCEMP CCc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1O ZINC000826941442 1315537432 /nfs/dbraw/zinc/53/74/32/1315537432.db2.gz JJXIMWXMGMOZER-HXUWFJFHSA-N 2 1 340.467 2.811 10 10 EFCEMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC000389108281 1316657342 /nfs/dbraw/zinc/65/73/42/1316657342.db2.gz GZPZIRSITLZIFT-YPMHNXCESA-N 2 1 325.250 2.538 10 10 EFCEMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC000389108281 1316657343 /nfs/dbraw/zinc/65/73/43/1316657343.db2.gz GZPZIRSITLZIFT-YPMHNXCESA-N 2 1 325.250 2.538 10 10 EFCEMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC000389108281 1316657345 /nfs/dbraw/zinc/65/73/45/1316657345.db2.gz GZPZIRSITLZIFT-YPMHNXCESA-N 2 1 325.250 2.538 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C(C)(C)C3(F)F)cc2F)CC1 ZINC001327590593 1330498990 /nfs/dbraw/zinc/49/89/90/1330498990.db2.gz KKEFDDHJZIQUDY-MRXNPFEDSA-N 2 1 341.421 2.958 10 10 EFCEMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001333519044 1331158845 /nfs/dbraw/zinc/15/88/45/1331158845.db2.gz JRNXWGNBOJDXBE-GDBMZVCRSA-N 2 1 337.508 2.951 10 10 EFCEMP CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333848387 1331225969 /nfs/dbraw/zinc/22/59/69/1331225969.db2.gz XUTPDGCKQAKEIN-SFHVURJKSA-N 2 1 349.494 2.872 10 10 EFCEMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCCOC1 ZINC001346206242 1332611396 /nfs/dbraw/zinc/61/13/96/1332611396.db2.gz QOXIIIVSUQNLBW-KRWDZBQOSA-N 2 1 335.467 2.578 10 10 EFCEMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCCOC1 ZINC001346206242 1332611399 /nfs/dbraw/zinc/61/13/99/1332611399.db2.gz QOXIIIVSUQNLBW-KRWDZBQOSA-N 2 1 335.467 2.578 10 10 EFCEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849349477 1335597049 /nfs/dbraw/zinc/59/70/49/1335597049.db2.gz AIOBZSCIGNOLEA-FQEVSTJZSA-N 2 1 343.515 2.735 10 10 EFCEMP Cc1cc(O)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(Cl)c1 ZINC000840917577 720965133 /nfs/dbraw/zinc/96/51/33/720965133.db2.gz KSJAPUUBYFNUFI-OAHLLOKOSA-N 2 1 337.895 2.566 10 10 EFCEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367592106 242384053 /nfs/dbraw/zinc/38/40/53/242384053.db2.gz AYHYLDJYDRPKPY-WDSOQIARSA-N 2 1 347.478 2.625 10 10 EFCEMP Cc1cc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC000124721921 473292162 /nfs/dbraw/zinc/29/21/62/473292162.db2.gz STPLRWNGEVHNDW-YOFSQIOKSA-N 2 1 343.515 2.752 10 10 EFCEMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293520429 475020185 /nfs/dbraw/zinc/02/01/85/475020185.db2.gz CXFVMKNRUCISPM-UHFFFAOYSA-N 2 1 330.831 2.510 10 10 EFCEMP CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1O ZINC000850500525 1250510614 /nfs/dbraw/zinc/51/06/14/1250510614.db2.gz HNZMXNBANLROQO-WMLDXEAASA-N 2 1 325.472 2.844 10 10 EFCEMP CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1O ZINC000850500529 1250510725 /nfs/dbraw/zinc/51/07/25/1250510725.db2.gz HNZMXNBANLROQO-YOEHRIQHSA-N 2 1 325.472 2.844 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509709 1250514836 /nfs/dbraw/zinc/51/48/36/1250514836.db2.gz RCJXAQHWMMNKTR-RDTXWAMCSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509709 1250514846 /nfs/dbraw/zinc/51/48/46/1250514846.db2.gz RCJXAQHWMMNKTR-RDTXWAMCSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1O ZINC000850509853 1250515401 /nfs/dbraw/zinc/51/54/01/1250515401.db2.gz UEBABDUMWKOEBV-YJBOKZPZSA-N 2 1 326.440 2.810 10 10 EFCEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000746644895 1275685825 /nfs/dbraw/zinc/68/58/25/1275685825.db2.gz CSKLVMRMNPJYHH-QWFCFKBJSA-N 2 1 330.472 2.564 10 10 EFCEMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000815041906 1287283909 /nfs/dbraw/zinc/28/39/09/1287283909.db2.gz FQJWWEKFZOSXIN-FQEVSTJZSA-N 2 1 344.547 2.663 10 10 EFCEMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1N(C)C ZINC000815041906 1287283913 /nfs/dbraw/zinc/28/39/13/1287283913.db2.gz FQJWWEKFZOSXIN-FQEVSTJZSA-N 2 1 344.547 2.663 10 10 EFCEMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844902187 1279325284 /nfs/dbraw/zinc/32/52/84/1279325284.db2.gz KQDQALAVHCXTMK-WBQRIIBESA-N 2 1 343.515 2.984 10 10 EFCEMP COC1CCN(c2ccc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2)CC1 ZINC001175210714 1287357295 /nfs/dbraw/zinc/35/72/95/1287357295.db2.gz DQWAIEAPRJOKDU-MOPGFXCFSA-N 2 1 343.515 2.685 10 10 EFCEMP COC1CCN(c2ccc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc2)CC1 ZINC001175210714 1287357298 /nfs/dbraw/zinc/35/72/98/1287357298.db2.gz DQWAIEAPRJOKDU-MOPGFXCFSA-N 2 1 343.515 2.685 10 10 EFCEMP COC1CCN(c2ccc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2)CC1 ZINC001175210714 1287357302 /nfs/dbraw/zinc/35/73/02/1287357302.db2.gz DQWAIEAPRJOKDU-MOPGFXCFSA-N 2 1 343.515 2.685 10 10 EFCEMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C2(CCC2)CO1 ZINC000846067734 1280018423 /nfs/dbraw/zinc/01/84/23/1280018423.db2.gz WZZVQTRRCUPAPC-KRWDZBQOSA-N 2 1 329.488 2.582 10 10 EFCEMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903976863 1313525484 /nfs/dbraw/zinc/52/54/84/1313525484.db2.gz FNPVVYKUXUKGKW-VXGBXAGGSA-N 2 1 327.266 2.880 10 10 EFCEMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903976863 1313525487 /nfs/dbraw/zinc/52/54/87/1313525487.db2.gz FNPVVYKUXUKGKW-VXGBXAGGSA-N 2 1 327.266 2.880 10 10 EFCEMP Cc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000862291529 1302327876 /nfs/dbraw/zinc/32/78/76/1302327876.db2.gz QTHGMMCSQBNOIO-UHFFFAOYSA-N 2 1 340.471 2.805 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C3(CCO)CCCCC3)cc2F)CC1 ZINC001261892443 1316436541 /nfs/dbraw/zinc/43/65/41/1316436541.db2.gz KWPFIBIXLOQSMC-UHFFFAOYSA-N 2 1 349.494 2.752 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cc2F)CC1 ZINC001319962015 1329045211 /nfs/dbraw/zinc/04/52/11/1329045211.db2.gz IADGKKCNDRIWGR-IEBWSBKVSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@H]43)cc2F)CC1 ZINC001319962015 1329045215 /nfs/dbraw/zinc/04/52/15/1329045215.db2.gz IADGKKCNDRIWGR-IEBWSBKVSA-N 2 1 347.478 2.578 10 10 EFCEMP CCCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332341325 1330960154 /nfs/dbraw/zinc/96/01/54/1330960154.db2.gz UMPXFWBSLREDGB-IBGZPJMESA-N 2 1 337.483 2.608 10 10 EFCEMP CCOc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(O)c1 ZINC000895556599 724194022 /nfs/dbraw/zinc/19/40/22/724194022.db2.gz LIHLEZDDXTZLKR-HNNXBMFYSA-N 2 1 327.428 2.897 10 10 EFCEMP Cc1cc(C)c(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000164377424 727938106 /nfs/dbraw/zinc/93/81/06/727938106.db2.gz JXTUWFQRCQUXIE-LJQANCHMSA-N 2 1 331.504 2.611 10 10 EFCEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115322 473333175 /nfs/dbraw/zinc/33/31/75/473333175.db2.gz UFEVKPCGIKRBJX-YJBOKZPZSA-N 2 1 332.488 2.768 10 10 EFCEMP CCOC(=O)Cc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1 ZINC000029556394 472282846 /nfs/dbraw/zinc/28/28/46/472282846.db2.gz DCYZIFGZYMPQGX-UHFFFAOYSA-N 2 1 346.471 2.689 10 10 EFCEMP Cc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000180094693 473797773 /nfs/dbraw/zinc/79/77/73/473797773.db2.gz MDRLFSMRIUIOAO-AWEZNQCLSA-N 2 1 340.895 2.879 10 10 EFCEMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248497 477880136 /nfs/dbraw/zinc/88/01/36/477880136.db2.gz LFDCZCHDYSJCIY-ZDUSSCGKSA-N 2 1 342.842 2.775 10 10 EFCEMP CN(C)c1ccc(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850395563 1250465298 /nfs/dbraw/zinc/46/52/98/1250465298.db2.gz ASPICJBNPLPGIO-HZQHCPKGSA-N 2 1 329.488 2.609 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509707 1250514777 /nfs/dbraw/zinc/51/47/77/1250514777.db2.gz RCJXAQHWMMNKTR-KDOFPFPSSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1O ZINC000850509707 1250514789 /nfs/dbraw/zinc/51/47/89/1250514789.db2.gz RCJXAQHWMMNKTR-KDOFPFPSSA-N 2 1 344.430 2.949 10 10 EFCEMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971885 1276413477 /nfs/dbraw/zinc/41/34/77/1276413477.db2.gz QPAVHVGJNXRYLV-QWQRMKEZSA-N 2 1 337.895 2.825 10 10 EFCEMP COCC[NH2+]C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000844901551 1279323901 /nfs/dbraw/zinc/32/39/01/1279323901.db2.gz GPGSBGUCRAQMFR-UHFFFAOYSA-N 2 1 331.504 2.877 10 10 EFCEMP Fc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000903959707 1313492369 /nfs/dbraw/zinc/49/23/69/1313492369.db2.gz MSKXROKXAGGVGR-FQEVSTJZSA-N 2 1 347.478 2.628 10 10 EFCEMP Fc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000903959707 1313492373 /nfs/dbraw/zinc/49/23/73/1313492373.db2.gz MSKXROKXAGGVGR-FQEVSTJZSA-N 2 1 347.478 2.628 10 10 EFCEMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746530 1299858409 /nfs/dbraw/zinc/85/84/09/1299858409.db2.gz MZCMMWJMRHNZLF-IBGZPJMESA-N 2 1 329.488 2.630 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514412 1316416402 /nfs/dbraw/zinc/41/64/02/1316416402.db2.gz AQMCREHWWVMQGM-KRWDZBQOSA-N 2 1 339.405 2.809 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514412 1316416403 /nfs/dbraw/zinc/41/64/03/1316416403.db2.gz AQMCREHWWVMQGM-KRWDZBQOSA-N 2 1 339.405 2.809 10 10 EFCEMP Cc1cc(Br)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1O ZINC000380466007 1316544645 /nfs/dbraw/zinc/54/46/45/1316544645.db2.gz QDFKWTGNCJQFCO-OCCSQVGLSA-N 2 1 339.277 2.847 10 10 EFCEMP Cc1cc(Br)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC000380466007 1316544647 /nfs/dbraw/zinc/54/46/47/1316544647.db2.gz QDFKWTGNCJQFCO-OCCSQVGLSA-N 2 1 339.277 2.847 10 10 EFCEMP Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC000380466007 1316544649 /nfs/dbraw/zinc/54/46/49/1316544649.db2.gz QDFKWTGNCJQFCO-OCCSQVGLSA-N 2 1 339.277 2.847 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCSC3)cc2F)CC1 ZINC001329288396 1330690403 /nfs/dbraw/zinc/69/04/03/1330690403.db2.gz XTMLPFIRMQJQAZ-OAHLLOKOSA-N 2 1 337.508 2.810 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cc2F)CC1 ZINC001333820508 1331219544 /nfs/dbraw/zinc/21/95/44/1331219544.db2.gz QLZYTAMBNCSFMQ-FQEVSTJZSA-N 2 1 347.478 2.580 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCCOC4)cc2F)CC1 ZINC001333820508 1331219550 /nfs/dbraw/zinc/21/95/50/1331219550.db2.gz QLZYTAMBNCSFMQ-FQEVSTJZSA-N 2 1 347.478 2.580 10 10 EFCEMP Cc1ccncc1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001350134666 1333039325 /nfs/dbraw/zinc/03/93/25/1333039325.db2.gz BDODZTHIAMAQMM-UHFFFAOYSA-N 2 1 342.462 2.613 10 10 EFCEMP C[N@@H+](Cc1cc(Br)ccc1O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000219688512 716714390 /nfs/dbraw/zinc/71/43/90/716714390.db2.gz ZXQVMUWQFIIJQM-PBWFPOADSA-N 2 1 325.250 2.870 10 10 EFCEMP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)c(Cl)cc1O ZINC000925813833 718848437 /nfs/dbraw/zinc/84/84/37/718848437.db2.gz ZSPFILOYAJIMSL-JTQLQIEISA-N 2 1 332.275 2.773 10 10 EFCEMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000895828021 724327234 /nfs/dbraw/zinc/32/72/34/724327234.db2.gz RQXCDAQUTDEKMO-UHFFFAOYSA-N 2 1 343.515 2.974 10 10 EFCEMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1[NH+]1CCCC1 ZINC000020601720 212150927 /nfs/dbraw/zinc/15/09/27/212150927.db2.gz NRBSXRYIKUVZJF-FUHWJXTLSA-N 2 1 346.471 2.632 10 10 EFCEMP COc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190478528 473289230 /nfs/dbraw/zinc/28/92/30/473289230.db2.gz WLSIGAXYNHRHHJ-KRWDZBQOSA-N 2 1 341.455 2.750 10 10 EFCEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)[nH+]1 ZINC000092813360 472990120 /nfs/dbraw/zinc/99/01/20/472990120.db2.gz QYEUHULBRUIYMC-CQSZACIVSA-N 2 1 341.411 2.758 10 10 EFCEMP Cc1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000179599087 473697611 /nfs/dbraw/zinc/69/76/11/473697611.db2.gz POXZNNQSWDTHDV-UHFFFAOYSA-N 2 1 337.895 2.567 10 10 EFCEMP CCC[N@H+](C)CC(C)(C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850409969 1250471666 /nfs/dbraw/zinc/47/16/66/1250471666.db2.gz JYMMSWITCCZNOT-UHFFFAOYSA-N 2 1 332.536 2.648 10 10 EFCEMP CCC[N@@H+](C)CC(C)(C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850409969 1250471670 /nfs/dbraw/zinc/47/16/70/1250471670.db2.gz JYMMSWITCCZNOT-UHFFFAOYSA-N 2 1 332.536 2.648 10 10 EFCEMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000746644893 1275686056 /nfs/dbraw/zinc/68/60/56/1275686056.db2.gz CSKLVMRMNPJYHH-HBFSDRIKSA-N 2 1 330.472 2.564 10 10 EFCEMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C)cc1O ZINC000817981950 1276419800 /nfs/dbraw/zinc/41/98/00/1276419800.db2.gz AHZNOQSNNRONOE-FAFZWHIHSA-N 2 1 331.504 2.958 10 10 EFCEMP Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(O)c1 ZINC000817982547 1276420512 /nfs/dbraw/zinc/42/05/12/1276420512.db2.gz FGGCOLWSTUTHJO-WWDZGPRUSA-N 2 1 331.504 2.876 10 10 EFCEMP C[C@@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2c1c(F)ccc2O ZINC000817983159 1276422069 /nfs/dbraw/zinc/42/20/69/1276422069.db2.gz KLSKSDJPGUHKLR-ARAOSMHQSA-N 2 1 347.478 2.886 10 10 EFCEMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)C2)cc1 ZINC000818341847 1276509858 /nfs/dbraw/zinc/50/98/58/1276509858.db2.gz HRCYKDNLOTXXBP-OTNPHJDUSA-N 2 1 343.515 2.984 10 10 EFCEMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000845996907 1279988717 /nfs/dbraw/zinc/98/87/17/1279988717.db2.gz TWLIRPDBVHUHAM-UHFFFAOYSA-N 2 1 337.483 2.730 10 10 EFCEMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000845996907 1279988722 /nfs/dbraw/zinc/98/87/22/1279988722.db2.gz TWLIRPDBVHUHAM-UHFFFAOYSA-N 2 1 337.483 2.730 10 10 EFCEMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C2(CCC2)CO1 ZINC000846067736 1280019223 /nfs/dbraw/zinc/01/92/23/1280019223.db2.gz WZZVQTRRCUPAPC-QGZVFWFLSA-N 2 1 329.488 2.582 10 10 EFCEMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Br)ccc1O ZINC000854228225 1300478655 /nfs/dbraw/zinc/47/86/55/1300478655.db2.gz SKQDBDWPFDZIFA-IQYSWEBNSA-N 2 1 325.250 2.947 10 10 EFCEMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Br)ccc1O ZINC000854228228 1300479038 /nfs/dbraw/zinc/47/90/38/1300479038.db2.gz SKQDBDWPFDZIFA-VROQLPPWSA-N 2 1 325.250 2.947 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000862473466 1302393229 /nfs/dbraw/zinc/39/32/29/1302393229.db2.gz RPSDESQTHFBCPT-MOPGFXCFSA-N 2 1 331.529 2.908 10 10 EFCEMP COc1ccc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001317628193 1328210010 /nfs/dbraw/zinc/21/00/10/1328210010.db2.gz XWSCKEMRRISYHH-UHFFFAOYSA-N 2 1 349.519 2.530 10 10 EFCEMP CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738724 1331013092 /nfs/dbraw/zinc/01/30/92/1331013092.db2.gz KEYHOJLNRSHZCS-WBVHZDCISA-N 2 1 335.467 2.577 10 10 EFCEMP CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332738724 1331013104 /nfs/dbraw/zinc/01/31/04/1331013104.db2.gz KEYHOJLNRSHZCS-WBVHZDCISA-N 2 1 335.467 2.577 10 10 EFCEMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001333519046 1331158707 /nfs/dbraw/zinc/15/87/07/1331158707.db2.gz JRNXWGNBOJDXBE-HOCLYGCPSA-N 2 1 337.508 2.951 10 10 EFCEMP O=[N+]([O-])c1cc(C[NH2+]CCC[NH+]2CCC2)ccc1N1CCCCC1 ZINC000848545196 1334786668 /nfs/dbraw/zinc/78/66/68/1334786668.db2.gz BKWBRWBCLNLHFV-UHFFFAOYSA-N 2 1 332.448 2.771 10 10 EFCEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001268661717 1097515585 /nfs/dbraw/zinc/51/55/85/1097515585.db2.gz GYXVOJGCQZDVFJ-MRXNPFEDSA-N 2 1 349.519 2.576 10 10 EFCEMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)OCO2 ZINC000246742727 240271722 /nfs/dbraw/zinc/27/17/22/240271722.db2.gz WVFJGNIEIAKBED-XJKSGUPXSA-N 2 1 330.428 2.570 10 10 EFCEMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCO2 ZINC000246742727 240271728 /nfs/dbraw/zinc/27/17/28/240271728.db2.gz WVFJGNIEIAKBED-XJKSGUPXSA-N 2 1 330.428 2.570 10 10 EFCEMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)OCO2 ZINC000246742727 240271735 /nfs/dbraw/zinc/27/17/35/240271735.db2.gz WVFJGNIEIAKBED-XJKSGUPXSA-N 2 1 330.428 2.570 10 10 EFCEMP COc1c(O)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365795439 277365012 /nfs/dbraw/zinc/36/50/12/277365012.db2.gz NLLSVCMIYMIWGR-UHFFFAOYSA-N 2 1 349.431 2.617 10 10 EFCEMP C[C@H]([NH2+]Cc1ccncc1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000071825365 472574637 /nfs/dbraw/zinc/57/46/37/472574637.db2.gz JMKKIXUGDPNMEF-HNNXBMFYSA-N 2 1 328.435 2.823 10 10 EFCEMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000850488937 1250500858 /nfs/dbraw/zinc/50/08/58/1250500858.db2.gz VWVCCCUTQSKDIN-YGWPLHOASA-N 2 1 329.488 2.736 10 10 EFCEMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971884 1276412854 /nfs/dbraw/zinc/41/28/54/1276412854.db2.gz QPAVHVGJNXRYLV-GLJUWKHASA-N 2 1 337.895 2.825 10 10 EFCEMP Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(O)c1C ZINC000817983568 1276420796 /nfs/dbraw/zinc/42/07/96/1276420796.db2.gz NXJPSVGBCIBJGQ-WWDZGPRUSA-N 2 1 331.504 2.876 10 10 EFCEMP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2c1c(F)ccc2O ZINC000817983163 1276422660 /nfs/dbraw/zinc/42/26/60/1276422660.db2.gz KLSKSDJPGUHKLR-PBMMVSLJSA-N 2 1 347.478 2.886 10 10 EFCEMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000844913108 1279335115 /nfs/dbraw/zinc/33/51/15/1279335115.db2.gz ZCKYAMSOBYKONS-KVSKMBFKSA-N 2 1 334.460 2.652 10 10 EFCEMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1O ZINC000844912326 1279361412 /nfs/dbraw/zinc/36/14/12/1279361412.db2.gz RVABAFPQVZTGPN-NUJGCVRESA-N 2 1 334.460 2.652 10 10 EFCEMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000844912324 1279361569 /nfs/dbraw/zinc/36/15/69/1279361569.db2.gz RVABAFPQVZTGPN-JZXOWHBKSA-N 2 1 334.460 2.652 10 10 EFCEMP c1ccc(CN2CCc3cc(C[N@@H+]4C[C@H]5C[NH2+]C[C@H]5C4)ccc32)cc1 ZINC000809595237 1282332397 /nfs/dbraw/zinc/33/23/97/1282332397.db2.gz HVGZLIYXSWITAS-OYRHEFFESA-N 2 1 333.479 2.901 10 10 EFCEMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC001262202214 1316452623 /nfs/dbraw/zinc/45/26/23/1316452623.db2.gz PVMXSEDWEBRUGX-IRXDYDNUSA-N 2 1 331.504 2.914 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC(C)(C)O3)cc2F)CC1 ZINC001320764832 1329183055 /nfs/dbraw/zinc/18/30/55/1329183055.db2.gz LLUJVMBULKNSDZ-INIZCTEOSA-N 2 1 335.467 2.625 10 10 EFCEMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccn1 ZINC001328059376 1330547111 /nfs/dbraw/zinc/54/71/11/1330547111.db2.gz DCJSIQNTYJDWQK-MRXNPFEDSA-N 2 1 342.462 2.866 10 10 EFCEMP CCCC[C@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332341326 1330960342 /nfs/dbraw/zinc/96/03/42/1330960342.db2.gz UMPXFWBSLREDGB-LJQANCHMSA-N 2 1 337.483 2.608 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2F)CC1 ZINC001333736159 1331204984 /nfs/dbraw/zinc/20/49/84/1331204984.db2.gz RCITUXOIFNTJDJ-FXAWDEMLSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2F)CC1 ZINC001333736159 1331204989 /nfs/dbraw/zinc/20/49/89/1331204989.db2.gz RCITUXOIFNTJDJ-FXAWDEMLSA-N 2 1 347.478 2.578 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cc2F)CC1 ZINC001333820510 1331219584 /nfs/dbraw/zinc/21/95/84/1331219584.db2.gz QLZYTAMBNCSFMQ-HXUWFJFHSA-N 2 1 347.478 2.580 10 10 EFCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCCOC4)cc2F)CC1 ZINC001333820510 1331219587 /nfs/dbraw/zinc/21/95/87/1331219587.db2.gz QLZYTAMBNCSFMQ-HXUWFJFHSA-N 2 1 347.478 2.580 10 10 EFCEMP