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]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161023758 206323963 /nfs/dbraw/zinc/32/39/63/206323963.db2.gz QQYNZWXERNVCFN-LESCRADOSA-N 1 3 331.460 3.167 20 70 EGIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159622173 455390526 /nfs/dbraw/zinc/39/05/26/455390526.db2.gz JIBMHFKJXOKODE-LPHOPBHVSA-N 1 3 329.532 3.406 20 70 EGIDHO C[C@@H](CC(=O)N(C)c1ccccc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159632397 206255669 /nfs/dbraw/zinc/25/56/69/206255669.db2.gz IFNYTWGZILMMDG-HNNXBMFYSA-N 1 3 331.504 3.327 20 70 EGIDHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159632397 206255672 /nfs/dbraw/zinc/25/56/72/206255672.db2.gz IFNYTWGZILMMDG-HNNXBMFYSA-N 1 3 331.504 3.327 20 70 EGIDHO Cc1c2ccccc2oc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160186257 206283146 /nfs/dbraw/zinc/28/31/46/206283146.db2.gz ZJSHJRMQYBKLMA-INIZCTEOSA-N 1 3 329.488 3.418 20 70 EGIDHO C[C@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)c2ccsc2S1 ZINC000160199537 455437307 /nfs/dbraw/zinc/43/73/07/455437307.db2.gz DBLQHNHSFSUHSU-BBRMVZONSA-N 1 3 339.574 3.289 20 70 EGIDHO CCCN1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000160462908 546946912 /nfs/dbraw/zinc/94/69/12/546946912.db2.gz HNUQRKAGPNUFOT-UHFFFAOYSA-N 1 3 330.520 3.282 20 70 EGIDHO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(OCCN(C)C)c1 ZINC000159955561 206272160 /nfs/dbraw/zinc/27/21/60/206272160.db2.gz ZBDUXJCGPOEISA-HNAYVOBHSA-N 1 3 348.512 3.247 20 70 EGIDHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000161071500 206326333 /nfs/dbraw/zinc/32/63/33/206326333.db2.gz IHWCJRDNHOAYQT-TXPKVOOTSA-N 1 3 331.504 3.035 20 70 EGIDHO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000161071648 206326460 /nfs/dbraw/zinc/32/64/60/206326460.db2.gz IHWCJRDNHOAYQT-FCEWJHQRSA-N 1 3 331.504 3.035 20 70 EGIDHO COc1ccc(Cl)cc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160266264 455443046 /nfs/dbraw/zinc/44/30/46/455443046.db2.gz PNCMMJVDNHHMHF-AWEZNQCLSA-N 1 3 339.911 3.025 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000159824240 455406905 /nfs/dbraw/zinc/40/69/05/455406905.db2.gz KWCZPWSTLCCPJM-IBGZPJMESA-N 1 3 349.563 3.079 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000159824240 455406910 /nfs/dbraw/zinc/40/69/10/455406910.db2.gz KWCZPWSTLCCPJM-IBGZPJMESA-N 1 3 349.563 3.079 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000159824240 455406913 /nfs/dbraw/zinc/40/69/13/455406913.db2.gz KWCZPWSTLCCPJM-IBGZPJMESA-N 1 3 349.563 3.079 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000159824109 455407114 /nfs/dbraw/zinc/40/71/14/455407114.db2.gz KWCZPWSTLCCPJM-LJQANCHMSA-N 1 3 349.563 3.079 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000159824109 455407116 /nfs/dbraw/zinc/40/71/16/455407116.db2.gz KWCZPWSTLCCPJM-LJQANCHMSA-N 1 3 349.563 3.079 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000159824109 455407121 /nfs/dbraw/zinc/40/71/21/455407121.db2.gz KWCZPWSTLCCPJM-LJQANCHMSA-N 1 3 349.563 3.079 20 70 EGIDHO Cc1nccn1CCCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000159863116 455410247 /nfs/dbraw/zinc/41/02/47/455410247.db2.gz LALZKARKICWESH-GOSISDBHSA-N 1 3 326.488 3.178 20 70 EGIDHO Cc1nccn1CCCN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000159863116 455410254 /nfs/dbraw/zinc/41/02/54/455410254.db2.gz LALZKARKICWESH-GOSISDBHSA-N 1 3 326.488 3.178 20 70 EGIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1C(F)(F)F ZINC000160224858 206284995 /nfs/dbraw/zinc/28/49/95/206284995.db2.gz SGSUPPFFPZNNPG-AWEZNQCLSA-N 1 3 343.437 3.382 20 70 EGIDHO C[NH+](C)C1CCN(CCN[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000160238587 276754951 /nfs/dbraw/zinc/75/49/51/276754951.db2.gz AGEMFPUKEGBSEM-IBGZPJMESA-N 1 3 343.515 3.049 20 70 EGIDHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000160103217 206278894 /nfs/dbraw/zinc/27/88/94/206278894.db2.gz HAGIPBDMJYILGV-QFBILLFUSA-N 1 3 331.504 3.036 20 70 EGIDHO CN(c1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1)C1CCN(C)CC1 ZINC000160546658 276870225 /nfs/dbraw/zinc/87/02/25/276870225.db2.gz QBPDBGMUNUXSOP-GOSISDBHSA-N 1 3 345.531 3.264 20 70 EGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000161119930 455536082 /nfs/dbraw/zinc/53/60/82/455536082.db2.gz VECFRHOQWHSXHE-JWRWLIQVSA-N 1 3 341.499 3.282 20 70 EGIDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000160688884 206308572 /nfs/dbraw/zinc/30/85/72/206308572.db2.gz FIIARRFAZJGLCR-DZGCQCFKSA-N 1 3 328.859 3.367 20 70 EGIDHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000160688884 206308575 /nfs/dbraw/zinc/30/85/75/206308575.db2.gz FIIARRFAZJGLCR-DZGCQCFKSA-N 1 3 328.859 3.367 20 70 EGIDHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000160370927 455452078 /nfs/dbraw/zinc/45/20/78/455452078.db2.gz YLYZDIFPEKMIKQ-MGPQQGTHSA-N 1 3 341.293 3.289 20 70 EGIDHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000160370927 455452083 /nfs/dbraw/zinc/45/20/83/455452083.db2.gz YLYZDIFPEKMIKQ-MGPQQGTHSA-N 1 3 341.293 3.289 20 70 EGIDHO Cc1nccn1CCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000159862977 455410473 /nfs/dbraw/zinc/41/04/73/455410473.db2.gz LALZKARKICWESH-SFHVURJKSA-N 1 3 326.488 3.178 20 70 EGIDHO Cc1nccn1CCCN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000159862977 455410476 /nfs/dbraw/zinc/41/04/76/455410476.db2.gz LALZKARKICWESH-SFHVURJKSA-N 1 3 326.488 3.178 20 70 EGIDHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000160192727 455436033 /nfs/dbraw/zinc/43/60/33/455436033.db2.gz OFUBFWQHHKCCDW-CQSZACIVSA-N 1 3 339.911 3.025 20 70 EGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161029259 455524581 /nfs/dbraw/zinc/52/45/81/455524581.db2.gz LFFIZJJRNKAXRW-BPUTZDHNSA-N 1 3 329.488 3.440 20 70 EGIDHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3ccco3)cc2)CC1 ZINC000160328520 206290979 /nfs/dbraw/zinc/29/09/79/206290979.db2.gz GGJZMGFKYXGBBW-QGZVFWFLSA-N 1 3 327.472 3.268 20 70 EGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040129 206325124 /nfs/dbraw/zinc/32/51/24/206325124.db2.gz NJZUVWGRILVFRU-LEWJYISDSA-N 1 3 329.532 3.156 20 70 EGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161064826 206326375 /nfs/dbraw/zinc/32/63/75/206326375.db2.gz BZJKVUJLBYHVPK-LEWJYISDSA-N 1 3 347.522 3.295 20 70 EGIDHO Cc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000161195336 206334044 /nfs/dbraw/zinc/33/40/44/206334044.db2.gz JFWABILZBCDCSC-HNNXBMFYSA-N 1 3 345.512 3.199 20 70 EGIDHO CC[N@H+](Cc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1)C(C)C ZINC000159378374 455373730 /nfs/dbraw/zinc/37/37/30/455373730.db2.gz FEMHCWUAEYGTOS-UHFFFAOYSA-N 1 3 343.515 3.274 20 70 EGIDHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1)C(C)C ZINC000159378374 455373734 /nfs/dbraw/zinc/37/37/34/455373734.db2.gz FEMHCWUAEYGTOS-UHFFFAOYSA-N 1 3 343.515 3.274 20 70 EGIDHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160878159 455507633 /nfs/dbraw/zinc/50/76/33/455507633.db2.gz KTUAEIBPXUMGFS-WNSKOXEYSA-N 1 3 330.497 3.336 20 70 EGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000161067835 455529444 /nfs/dbraw/zinc/52/94/44/455529444.db2.gz DDAJKIVSXBMRNT-XIRDDKMYSA-N 1 3 331.460 3.167 20 70 EGIDHO Cc1nc(C(C)C)sc1[C@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000160682613 455488134 /nfs/dbraw/zinc/48/81/34/455488134.db2.gz ZLJPRTUGVRATAV-GOEBONIOSA-N 1 3 339.549 3.462 20 70 EGIDHO Cc1nc(C(C)C)sc1[C@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000160682613 455488136 /nfs/dbraw/zinc/48/81/36/455488136.db2.gz ZLJPRTUGVRATAV-GOEBONIOSA-N 1 3 339.549 3.462 20 70 EGIDHO Cc1ccc([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000160289704 455445174 /nfs/dbraw/zinc/44/51/74/455445174.db2.gz KQDULCCWFHYBBL-PXNSSMCTSA-N 1 3 339.483 3.065 20 70 EGIDHO Cc1cc(C)c2c(c1)[C@H](NCCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000160257503 301212022 /nfs/dbraw/zinc/21/20/22/301212022.db2.gz IDZISPJGYGAAGU-HXUWFJFHSA-N 1 3 345.531 3.133 20 70 EGIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533187 455470957 /nfs/dbraw/zinc/47/09/57/455470957.db2.gz PKBLRSNCNGMLOB-LMMKCTJWSA-N 1 3 330.520 3.280 20 70 EGIDHO O=C(NC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1)c1ccccc1 ZINC000161414563 455567752 /nfs/dbraw/zinc/56/77/52/455567752.db2.gz XOVXECGHQYBSEB-LJQANCHMSA-N 1 3 343.515 3.004 20 70 EGIDHO O=C(NC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1)c1ccccc1 ZINC000161414563 455567756 /nfs/dbraw/zinc/56/77/56/455567756.db2.gz XOVXECGHQYBSEB-LJQANCHMSA-N 1 3 343.515 3.004 20 70 EGIDHO C[C@@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000159711350 533386549 /nfs/dbraw/zinc/38/65/49/533386549.db2.gz GBDHIPDPNUOBFG-QUCCMNQESA-N 1 3 346.515 3.072 20 70 EGIDHO Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000161400779 307902501 /nfs/dbraw/zinc/90/25/01/307902501.db2.gz HSUAAKJSIVOBRC-HXUWFJFHSA-N 1 3 339.483 3.089 20 70 EGIDHO C[C@@H](CC(=O)NCCc1ccccc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159637936 455391019 /nfs/dbraw/zinc/39/10/19/455391019.db2.gz VPMAMMLNPUSXOP-INIZCTEOSA-N 1 3 345.531 3.023 20 70 EGIDHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159637936 455391023 /nfs/dbraw/zinc/39/10/23/455391023.db2.gz VPMAMMLNPUSXOP-INIZCTEOSA-N 1 3 345.531 3.023 20 70 EGIDHO Cc1nccn1CCCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161328604 455560246 /nfs/dbraw/zinc/56/02/46/455560246.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 1 3 326.488 3.180 20 70 EGIDHO Cc1nccn1CCCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000161328604 455560249 /nfs/dbraw/zinc/56/02/49/455560249.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 1 3 326.488 3.180 20 70 EGIDHO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(OCCN(C)C)c1 ZINC000159955689 533425041 /nfs/dbraw/zinc/42/50/41/533425041.db2.gz ZBDUXJCGPOEISA-DNVCBOLYSA-N 1 3 348.512 3.247 20 70 EGIDHO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161229248 307900564 /nfs/dbraw/zinc/90/05/64/307900564.db2.gz VNJUUSVSUDXAPC-KRWDZBQOSA-N 1 3 331.504 3.203 20 70 EGIDHO CC1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C)N(C)C[C@@H]3C)cn2)CC1 ZINC000160486217 455466098 /nfs/dbraw/zinc/46/60/98/455466098.db2.gz QOXNWQITPWYTFF-LNLFQRSKSA-N 1 3 330.520 3.136 20 70 EGIDHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC2CCN(CC(F)F)CC2)C1 ZINC000161017704 455524183 /nfs/dbraw/zinc/52/41/83/455524183.db2.gz XKENENYVKRBHPF-HNNXBMFYSA-N 1 3 331.495 3.206 20 70 EGIDHO CC[C@H]1CCC[N@H+](C(C)(C)CNC2CCN(CC(F)F)CC2)C1 ZINC000161017704 455524184 /nfs/dbraw/zinc/52/41/84/455524184.db2.gz XKENENYVKRBHPF-HNNXBMFYSA-N 1 3 331.495 3.206 20 70 EGIDHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000160188505 529602151 /nfs/dbraw/zinc/60/21/51/529602151.db2.gz POKCRKLETUKTQE-SFHVURJKSA-N 1 3 325.447 3.032 20 70 EGIDHO C[C@H](CC(=O)N(C)c1ccccc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159632501 225252440 /nfs/dbraw/zinc/25/24/40/225252440.db2.gz IFNYTWGZILMMDG-OAHLLOKOSA-N 1 3 331.504 3.327 20 70 EGIDHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159632501 225252443 /nfs/dbraw/zinc/25/24/43/225252443.db2.gz IFNYTWGZILMMDG-OAHLLOKOSA-N 1 3 331.504 3.327 20 70 EGIDHO CC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000160690132 280186554 /nfs/dbraw/zinc/18/65/54/280186554.db2.gz VYNQNELUEGPZTJ-CRAIPNDOSA-N 1 3 326.431 3.242 20 70 EGIDHO CC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000160690132 280186559 /nfs/dbraw/zinc/18/65/59/280186559.db2.gz VYNQNELUEGPZTJ-CRAIPNDOSA-N 1 3 326.431 3.242 20 70 EGIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000160230047 533856912 /nfs/dbraw/zinc/85/69/12/533856912.db2.gz QAQXDOJISNNTKL-ZDUSSCGKSA-N 1 3 327.875 3.156 20 70 EGIDHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000160877887 307895680 /nfs/dbraw/zinc/89/56/80/307895680.db2.gz KTUAEIBPXUMGFS-NPMXOYFQSA-N 1 3 330.497 3.336 20 70 EGIDHO CC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)N(C)C[C@@H]3C)cn2)CC1 ZINC000160486454 455466164 /nfs/dbraw/zinc/46/61/64/455466164.db2.gz QOXNWQITPWYTFF-SCTDSRPQSA-N 1 3 330.520 3.136 20 70 EGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000161067921 455529998 /nfs/dbraw/zinc/52/99/98/455529998.db2.gz DDAJKIVSXBMRNT-PVAVHDDUSA-N 1 3 331.460 3.167 20 70 EGIDHO c1ccc(CN2CCC(OCCC[NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000159707397 225262615 /nfs/dbraw/zinc/26/26/15/225262615.db2.gz PHMDZERUJKMCIZ-GOSISDBHSA-N 1 3 334.529 3.153 20 70 EGIDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2CCN(CC(F)F)CC2)C1 ZINC000161017580 455523844 /nfs/dbraw/zinc/52/38/44/455523844.db2.gz XKENENYVKRBHPF-OAHLLOKOSA-N 1 3 331.495 3.206 20 70 EGIDHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CCN(CC(F)F)CC2)C1 ZINC000161017580 455523848 /nfs/dbraw/zinc/52/38/48/455523848.db2.gz XKENENYVKRBHPF-OAHLLOKOSA-N 1 3 331.495 3.206 20 70 EGIDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000161120282 455535980 /nfs/dbraw/zinc/53/59/80/455535980.db2.gz VECFRHOQWHSXHE-NHUHVJRWSA-N 1 3 341.499 3.282 20 70 EGIDHO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000161161477 455541989 /nfs/dbraw/zinc/54/19/89/455541989.db2.gz ZLWUBQNEENBAHX-PKOBYXMFSA-N 1 3 333.520 3.152 20 70 EGIDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000160688994 287022260 /nfs/dbraw/zinc/02/22/60/287022260.db2.gz FIIARRFAZJGLCR-UKRRQHHQSA-N 1 3 328.859 3.367 20 70 EGIDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000160688994 287022264 /nfs/dbraw/zinc/02/22/64/287022264.db2.gz FIIARRFAZJGLCR-UKRRQHHQSA-N 1 3 328.859 3.367 20 70 EGIDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533308 455471068 /nfs/dbraw/zinc/47/10/68/455471068.db2.gz PKBLRSNCNGMLOB-AOIWGVFYSA-N 1 3 330.520 3.280 20 70 EGIDHO CC[N@H+](CCCN1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160889819 279181841 /nfs/dbraw/zinc/18/18/41/279181841.db2.gz QRRBFOWEKWRUPZ-UHFFFAOYSA-N 1 3 331.504 3.086 20 70 EGIDHO CC[N@@H+](CCCN1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160889819 279181842 /nfs/dbraw/zinc/18/18/42/279181842.db2.gz QRRBFOWEKWRUPZ-UHFFFAOYSA-N 1 3 331.504 3.086 20 70 EGIDHO O[C@H](c1ccc(F)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161023455 455525268 /nfs/dbraw/zinc/52/52/68/455525268.db2.gz ZJOPMGZXQMHAOL-HXUWFJFHSA-N 1 3 334.479 3.447 20 70 EGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040422 455525944 /nfs/dbraw/zinc/52/59/44/455525944.db2.gz NJZUVWGRILVFRU-NHCUHLMSSA-N 1 3 329.532 3.156 20 70 EGIDHO C[C@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)c2ccsc2S1 ZINC000160199661 455437459 /nfs/dbraw/zinc/43/74/59/455437459.db2.gz DBLQHNHSFSUHSU-XJKSGUPXSA-N 1 3 339.574 3.289 20 70 EGIDHO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000160534685 455470844 /nfs/dbraw/zinc/47/08/44/455470844.db2.gz HBJVJGJAEYMILA-UHFFFAOYSA-N 1 3 334.508 3.334 20 70 EGIDHO COc1ccc(Cl)cc1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000160744845 455493837 /nfs/dbraw/zinc/49/38/37/455493837.db2.gz XKXWQTVLLSJZRN-GDBMZVCRSA-N 1 3 340.895 3.236 20 70 EGIDHO COc1ccc(Cl)cc1[C@@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000160744845 455493840 /nfs/dbraw/zinc/49/38/40/455493840.db2.gz XKXWQTVLLSJZRN-GDBMZVCRSA-N 1 3 340.895 3.236 20 70 EGIDHO CCCN1CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000160515657 546947587 /nfs/dbraw/zinc/94/75/87/546947587.db2.gz IHNLMELEFRUDJV-UHFFFAOYSA-N 1 3 330.520 3.426 20 70 EGIDHO Cc1ccc(C(=O)CCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000159937215 225306873 /nfs/dbraw/zinc/30/68/73/225306873.db2.gz SKSNRULGJXPDOC-UHFFFAOYSA-N 1 3 344.499 3.145 20 70 EGIDHO CCN1CCCC[C@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000161171890 455543818 /nfs/dbraw/zinc/54/38/18/455543818.db2.gz ILSHHASYNNLZQC-NRFANRHFSA-N 1 3 329.532 3.158 20 70 EGIDHO CN(CCC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000161400575 455566915 /nfs/dbraw/zinc/56/69/15/455566915.db2.gz KWADOOLHWGACAE-UHFFFAOYSA-N 1 3 339.524 3.194 20 70 EGIDHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000160188629 529164099 /nfs/dbraw/zinc/16/40/99/529164099.db2.gz POKCRKLETUKTQE-GOSISDBHSA-N 1 3 325.447 3.032 20 70 EGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000161117556 455535944 /nfs/dbraw/zinc/53/59/44/455535944.db2.gz DSAHXTSQOOMNEF-SUMDDJOVSA-N 1 3 329.488 3.337 20 70 EGIDHO CCSc1ccccc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160200614 455437563 /nfs/dbraw/zinc/43/75/63/455437563.db2.gz IJESFTXHNZUDCK-MRXNPFEDSA-N 1 3 335.561 3.475 20 70 EGIDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055223 455425383 /nfs/dbraw/zinc/42/53/83/455425383.db2.gz HPXULTIHLKJUGO-MJGOQNOKSA-N 1 3 349.519 3.095 20 70 EGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161023903 455524711 /nfs/dbraw/zinc/52/47/11/455524711.db2.gz QQYNZWXERNVCFN-KYJSFNMBSA-N 1 3 331.460 3.167 20 70 EGIDHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000160271753 529164890 /nfs/dbraw/zinc/16/48/90/529164890.db2.gz HULNOGJPVIACIF-CQSZACIVSA-N 1 3 329.941 3.468 20 70 EGIDHO CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)cn2)CC1 ZINC000160486351 455465492 /nfs/dbraw/zinc/46/54/92/455465492.db2.gz QOXNWQITPWYTFF-YQVWRLOYSA-N 1 3 330.520 3.136 20 70 EGIDHO Cc1ccsc1[C@@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240721 455551605 /nfs/dbraw/zinc/55/16/05/455551605.db2.gz YWAJYQSRQNIILI-OAHLLOKOSA-N 1 3 345.512 3.199 20 70 EGIDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161065151 455528833 /nfs/dbraw/zinc/52/88/33/455528833.db2.gz BZJKVUJLBYHVPK-RTWAWAEBSA-N 1 3 347.522 3.295 20 70 EGIDHO CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000160103351 528550685 /nfs/dbraw/zinc/55/06/85/528550685.db2.gz HAGIPBDMJYILGV-LPHOPBHVSA-N 1 3 331.504 3.036 20 70 EGIDHO Cc1ccccc1[C@@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000159431592 225216840 /nfs/dbraw/zinc/21/68/40/225216840.db2.gz UQSGWEGINPDQIV-QGZVFWFLSA-N 1 3 339.483 3.137 20 70 EGIDHO CCCCNC(=O)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000160100369 455428129 /nfs/dbraw/zinc/42/81/29/455428129.db2.gz IUSPUWZEFXFAGY-UHFFFAOYSA-N 1 3 343.515 3.181 20 70 EGIDHO COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000160192597 455436020 /nfs/dbraw/zinc/43/60/20/455436020.db2.gz OFUBFWQHHKCCDW-AWEZNQCLSA-N 1 3 339.911 3.025 20 70 EGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161029132 455525015 /nfs/dbraw/zinc/52/50/15/455525015.db2.gz LFFIZJJRNKAXRW-BMFZPTHFSA-N 1 3 329.488 3.440 20 70 EGIDHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000160229208 529602016 /nfs/dbraw/zinc/60/20/16/529602016.db2.gz MFZPSXFQOUFFHO-SFHVURJKSA-N 1 3 325.447 3.032 20 70 EGIDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000161120041 276871765 /nfs/dbraw/zinc/87/17/65/276871765.db2.gz VECFRHOQWHSXHE-GWWPLSDWSA-N 1 3 341.499 3.282 20 70 EGIDHO CC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000160690030 455487996 /nfs/dbraw/zinc/48/79/96/455487996.db2.gz VYNQNELUEGPZTJ-QAPCUYQASA-N 1 3 326.431 3.242 20 70 EGIDHO CC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000160690030 455488001 /nfs/dbraw/zinc/48/80/01/455488001.db2.gz VYNQNELUEGPZTJ-QAPCUYQASA-N 1 3 326.431 3.242 20 70 EGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000161117817 455536214 /nfs/dbraw/zinc/53/62/14/455536214.db2.gz DSAHXTSQOOMNEF-AYBZRNKSSA-N 1 3 329.488 3.337 20 70 EGIDHO Cc1c2ccccc2oc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160186128 280273668 /nfs/dbraw/zinc/27/36/68/280273668.db2.gz ZJSHJRMQYBKLMA-MRXNPFEDSA-N 1 3 329.488 3.418 20 70 EGIDHO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(OCCN(C)C)cc1 ZINC000159881012 533425382 /nfs/dbraw/zinc/42/53/82/533425382.db2.gz BDNQJWSRTHXPPB-DNVCBOLYSA-N 1 3 348.512 3.247 20 70 EGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000161120162 276832796 /nfs/dbraw/zinc/83/27/96/276832796.db2.gz VECFRHOQWHSXHE-CXIVCQEWSA-N 1 3 341.499 3.282 20 70 EGIDHO C[C@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000159711229 225264368 /nfs/dbraw/zinc/26/43/68/225264368.db2.gz GBDHIPDPNUOBFG-ICSRJNTNSA-N 1 3 346.515 3.072 20 70 EGIDHO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(OCCN(C)C)cc1 ZINC000159880597 225295487 /nfs/dbraw/zinc/29/54/87/225295487.db2.gz BDNQJWSRTHXPPB-KXBFYZLASA-N 1 3 348.512 3.247 20 70 EGIDHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159592082 533448296 /nfs/dbraw/zinc/44/82/96/533448296.db2.gz DTUMEJPCSDEQTE-ZDUSSCGKSA-N 1 3 335.467 3.442 20 70 EGIDHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159592082 533448301 /nfs/dbraw/zinc/44/83/01/533448301.db2.gz DTUMEJPCSDEQTE-ZDUSSCGKSA-N 1 3 335.467 3.442 20 70 EGIDHO Cc1csc(N2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)n1 ZINC000160465673 455462519 /nfs/dbraw/zinc/46/25/19/455462519.db2.gz UTUOZQDDGXJGSB-UHFFFAOYSA-N 1 3 348.560 3.417 20 70 EGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161024026 455524908 /nfs/dbraw/zinc/52/49/08/455524908.db2.gz QQYNZWXERNVCFN-ZVZYQTTQSA-N 1 3 331.460 3.167 20 70 EGIDHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000161083234 455530628 /nfs/dbraw/zinc/53/06/28/455530628.db2.gz NAUKKYNUEQMMCO-FPXQBCRKSA-N 1 3 331.504 3.033 20 70 EGIDHO Cc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161279016 455555547 /nfs/dbraw/zinc/55/55/47/455555547.db2.gz UYPRULKSBYHCOI-QGZVFWFLSA-N 1 3 339.483 3.137 20 70 EGIDHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000160280965 455444130 /nfs/dbraw/zinc/44/41/30/455444130.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 1 3 344.547 3.146 20 70 EGIDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055384 455425428 /nfs/dbraw/zinc/42/54/28/455425428.db2.gz HPXULTIHLKJUGO-IEBWSBKVSA-N 1 3 349.519 3.095 20 70 EGIDHO Cc1ccc([C@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000160289970 455444815 /nfs/dbraw/zinc/44/48/15/455444815.db2.gz KQDULCCWFHYBBL-FXAWDEMLSA-N 1 3 339.483 3.065 20 70 EGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000161067737 206326781 /nfs/dbraw/zinc/32/67/81/206326781.db2.gz DDAJKIVSXBMRNT-OIISXLGYSA-N 1 3 331.460 3.167 20 70 EGIDHO Cc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000161195216 206334021 /nfs/dbraw/zinc/33/40/21/206334021.db2.gz JFWABILZBCDCSC-OAHLLOKOSA-N 1 3 345.512 3.199 20 70 EGIDHO C[C@H](CC(=O)NCCc1ccccc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159638065 455391560 /nfs/dbraw/zinc/39/15/60/455391560.db2.gz VPMAMMLNPUSXOP-MRXNPFEDSA-N 1 3 345.531 3.023 20 70 EGIDHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159638065 455391565 /nfs/dbraw/zinc/39/15/65/455391565.db2.gz VPMAMMLNPUSXOP-MRXNPFEDSA-N 1 3 345.531 3.023 20 70 EGIDHO Cc1ccc([C@@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000160289561 455445083 /nfs/dbraw/zinc/44/50/83/455445083.db2.gz KQDULCCWFHYBBL-XLIONFOSSA-N 1 3 339.483 3.065 20 70 EGIDHO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161023323 455524823 /nfs/dbraw/zinc/52/48/23/455524823.db2.gz ZJOPMGZXQMHAOL-FQEVSTJZSA-N 1 3 334.479 3.447 20 70 EGIDHO CC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000160715438 206310386 /nfs/dbraw/zinc/31/03/86/206310386.db2.gz YNJHYJAIPULZOI-QAPCUYQASA-N 1 3 326.431 3.242 20 70 EGIDHO CC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000160715438 206310391 /nfs/dbraw/zinc/31/03/91/206310391.db2.gz YNJHYJAIPULZOI-QAPCUYQASA-N 1 3 326.431 3.242 20 70 EGIDHO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000161173174 455543762 /nfs/dbraw/zinc/54/37/62/455543762.db2.gz KYVMXFOHFZZUPT-HKUYNNGSSA-N 1 3 333.520 3.152 20 70 EGIDHO C[C@H](CC(=O)Nc1cccc(F)c1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159592206 206253562 /nfs/dbraw/zinc/25/35/62/206253562.db2.gz DTUMEJPCSDEQTE-CYBMUJFWSA-N 1 3 335.467 3.442 20 70 EGIDHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159592206 206253565 /nfs/dbraw/zinc/25/35/65/206253565.db2.gz DTUMEJPCSDEQTE-CYBMUJFWSA-N 1 3 335.467 3.442 20 70 EGIDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040279 206325669 /nfs/dbraw/zinc/32/56/69/206325669.db2.gz NJZUVWGRILVFRU-SFTDATJTSA-N 1 3 329.532 3.156 20 70 EGIDHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000161082980 206325978 /nfs/dbraw/zinc/32/59/78/206325978.db2.gz NAUKKYNUEQMMCO-IUVQAAGXSA-N 1 3 331.504 3.033 20 70 EGIDHO c1ccc(CN2CCC(OCCC[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000159707518 206259457 /nfs/dbraw/zinc/25/94/57/206259457.db2.gz PHMDZERUJKMCIZ-SFHVURJKSA-N 1 3 334.529 3.153 20 70 EGIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1Cl ZINC000160187535 206283082 /nfs/dbraw/zinc/28/30/82/206283082.db2.gz YPLHFTZEIIHSDL-ZDUSSCGKSA-N 1 3 327.875 3.156 20 70 EGIDHO CSc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1F ZINC000160200099 206283798 /nfs/dbraw/zinc/28/37/98/206283798.db2.gz WJRULTUCFJTFIH-AWEZNQCLSA-N 1 3 339.524 3.224 20 70 EGIDHO Cc1cc(C)c2c(c1)[C@@H](NCCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000160257658 301210065 /nfs/dbraw/zinc/21/00/65/301210065.db2.gz IDZISPJGYGAAGU-FQEVSTJZSA-N 1 3 345.531 3.133 20 70 EGIDHO Cc1csc(N2CCC([NH2+]Cc3ccc(CN(C)C)cc3)CC2)n1 ZINC000160859887 455506141 /nfs/dbraw/zinc/50/61/41/455506141.db2.gz VFSWRLFAJOVDFW-UHFFFAOYSA-N 1 3 344.528 3.272 20 70 EGIDHO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(OCCN(C)C)cc1 ZINC000159880887 206268100 /nfs/dbraw/zinc/26/81/00/206268100.db2.gz BDNQJWSRTHXPPB-HNAYVOBHSA-N 1 3 348.512 3.247 20 70 EGIDHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160878289 455507519 /nfs/dbraw/zinc/50/75/19/455507519.db2.gz KTUAEIBPXUMGFS-CMJOXMDJSA-N 1 3 330.497 3.336 20 70 EGIDHO CC[C@H](C)N(C)CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160094692 206279473 /nfs/dbraw/zinc/27/94/73/206279473.db2.gz VKWMGPDWJJHKTK-KRWDZBQOSA-N 1 3 335.511 3.153 20 70 EGIDHO Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000161400922 455566720 /nfs/dbraw/zinc/56/67/20/455566720.db2.gz HSUAAKJSIVOBRC-FQEVSTJZSA-N 1 3 339.483 3.089 20 70 EGIDHO Cc1ccc([C@@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000160289829 455444853 /nfs/dbraw/zinc/44/48/53/455444853.db2.gz KQDULCCWFHYBBL-YLJYHZDGSA-N 1 3 339.483 3.065 20 70 EGIDHO Cc1nc(C(C)C)sc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160176921 455435008 /nfs/dbraw/zinc/43/50/08/455435008.db2.gz UCJFFHPNKIBACG-AWEZNQCLSA-N 1 3 338.565 3.252 20 70 EGIDHO C[NH+](C)C1CCN(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000160238441 455440356 /nfs/dbraw/zinc/44/03/56/455440356.db2.gz AGEMFPUKEGBSEM-LJQANCHMSA-N 1 3 343.515 3.049 20 70 EGIDHO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000161071372 455530158 /nfs/dbraw/zinc/53/01/58/455530158.db2.gz IHWCJRDNHOAYQT-FRQCXROJSA-N 1 3 331.504 3.035 20 70 EGIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1Cl ZINC000160187650 533394050 /nfs/dbraw/zinc/39/40/50/533394050.db2.gz YPLHFTZEIIHSDL-CYBMUJFWSA-N 1 3 327.875 3.156 20 70 EGIDHO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(OCCN(C)C)c1 ZINC000159955418 533438497 /nfs/dbraw/zinc/43/84/97/533438497.db2.gz ZBDUXJCGPOEISA-BEFAXECRSA-N 1 3 348.512 3.247 20 70 EGIDHO Cc1ccccc1[C@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000159431700 225217380 /nfs/dbraw/zinc/21/73/80/225217380.db2.gz UQSGWEGINPDQIV-KRWDZBQOSA-N 1 3 339.483 3.137 20 70 EGIDHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371372 455451589 /nfs/dbraw/zinc/45/15/89/455451589.db2.gz YLYZDIFPEKMIKQ-MJBXVCDLSA-N 1 3 341.293 3.289 20 70 EGIDHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371372 455451593 /nfs/dbraw/zinc/45/15/93/455451593.db2.gz YLYZDIFPEKMIKQ-MJBXVCDLSA-N 1 3 341.293 3.289 20 70 EGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161065026 455528533 /nfs/dbraw/zinc/52/85/33/455528533.db2.gz BZJKVUJLBYHVPK-NHCUHLMSSA-N 1 3 347.522 3.295 20 70 EGIDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533537 455470540 /nfs/dbraw/zinc/47/05/40/455470540.db2.gz PKBLRSNCNGMLOB-ZIFCJYIRSA-N 1 3 330.520 3.280 20 70 EGIDHO CN(c1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1)C1CCN(C)CC1 ZINC000160546768 455472641 /nfs/dbraw/zinc/47/26/41/455472641.db2.gz QBPDBGMUNUXSOP-SFHVURJKSA-N 1 3 345.531 3.264 20 70 EGIDHO O=C(NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1)c1ccccc1 ZINC000161414432 455568162 /nfs/dbraw/zinc/56/81/62/455568162.db2.gz XOVXECGHQYBSEB-IBGZPJMESA-N 1 3 343.515 3.004 20 70 EGIDHO O=C(NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1)c1ccccc1 ZINC000161414432 455568164 /nfs/dbraw/zinc/56/81/64/455568164.db2.gz XOVXECGHQYBSEB-IBGZPJMESA-N 1 3 343.515 3.004 20 70 EGIDHO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(OCCN(C)C)cc1 ZINC000159880748 533438465 /nfs/dbraw/zinc/43/84/65/533438465.db2.gz BDNQJWSRTHXPPB-BEFAXECRSA-N 1 3 348.512 3.247 20 70 EGIDHO Cc1nc(C(C)C)sc1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000160682502 455487702 /nfs/dbraw/zinc/48/77/02/455487702.db2.gz ZLJPRTUGVRATAV-GDBMZVCRSA-N 1 3 339.549 3.462 20 70 EGIDHO Cc1nc(C(C)C)sc1[C@@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000160682502 455487706 /nfs/dbraw/zinc/48/77/06/455487706.db2.gz ZLJPRTUGVRATAV-GDBMZVCRSA-N 1 3 339.549 3.462 20 70 EGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161024146 455524546 /nfs/dbraw/zinc/52/45/46/455524546.db2.gz QQYNZWXERNVCFN-HFTRVMKXSA-N 1 3 331.460 3.167 20 70 EGIDHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000160371180 455452252 /nfs/dbraw/zinc/45/22/52/455452252.db2.gz YLYZDIFPEKMIKQ-MCIONIFRSA-N 1 3 341.293 3.289 20 70 EGIDHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000160371180 455452256 /nfs/dbraw/zinc/45/22/56/455452256.db2.gz YLYZDIFPEKMIKQ-MCIONIFRSA-N 1 3 341.293 3.289 20 70 EGIDHO COc1ccc(Cl)cc1[C@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000160744712 455494215 /nfs/dbraw/zinc/49/42/15/455494215.db2.gz XKXWQTVLLSJZRN-GOEBONIOSA-N 1 3 340.895 3.236 20 70 EGIDHO COc1ccc(Cl)cc1[C@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000160744712 455494219 /nfs/dbraw/zinc/49/42/19/455494219.db2.gz XKXWQTVLLSJZRN-GOEBONIOSA-N 1 3 340.895 3.236 20 70 EGIDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161064925 455528924 /nfs/dbraw/zinc/52/89/24/455528924.db2.gz BZJKVUJLBYHVPK-SFTDATJTSA-N 1 3 347.522 3.295 20 70 EGIDHO c1cc(CCNC2CC[NH+](C3CCCCC3)CC2)cc2c1OCO2 ZINC000161109393 455534651 /nfs/dbraw/zinc/53/46/51/455534651.db2.gz JVQXVODSXBOJHP-UHFFFAOYSA-N 1 3 330.472 3.345 20 70 EGIDHO c1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc2c1OCO2 ZINC000161109393 455534656 /nfs/dbraw/zinc/53/46/56/455534656.db2.gz JVQXVODSXBOJHP-UHFFFAOYSA-N 1 3 330.472 3.345 20 70 EGIDHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000160281769 533850181 /nfs/dbraw/zinc/85/01/81/533850181.db2.gz NSCYDFIXAJYENQ-IRXDYDNUSA-N 1 3 327.476 3.182 20 70 EGIDHO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(OCCN(C)C)c1 ZINC000159955285 225309923 /nfs/dbraw/zinc/30/99/23/225309923.db2.gz ZBDUXJCGPOEISA-KXBFYZLASA-N 1 3 348.512 3.247 20 70 EGIDHO COc1ccc(Cl)cc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160266408 455443097 /nfs/dbraw/zinc/44/30/97/455443097.db2.gz PNCMMJVDNHHMHF-CQSZACIVSA-N 1 3 339.911 3.025 20 70 EGIDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444069 /nfs/dbraw/zinc/44/40/69/455444069.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 1 3 344.547 3.146 20 70 EGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161029025 455524917 /nfs/dbraw/zinc/52/49/17/455524917.db2.gz LFFIZJJRNKAXRW-IMJJTQAJSA-N 1 3 329.488 3.440 20 70 EGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000161067636 455529582 /nfs/dbraw/zinc/52/95/82/455529582.db2.gz DDAJKIVSXBMRNT-UAGQMJEPSA-N 1 3 331.460 3.167 20 70 EGIDHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000160271658 529601656 /nfs/dbraw/zinc/60/16/56/529601656.db2.gz HULNOGJPVIACIF-AWEZNQCLSA-N 1 3 329.941 3.468 20 70 EGIDHO C[C@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000159710972 225265098 /nfs/dbraw/zinc/26/50/98/225265098.db2.gz GBDHIPDPNUOBFG-AZUAARDMSA-N 1 3 346.515 3.072 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000159768428 455401688 /nfs/dbraw/zinc/40/16/88/455401688.db2.gz QGMBZBHJALSELX-IBGZPJMESA-N 1 3 349.563 3.221 20 70 EGIDHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000161071769 455529688 /nfs/dbraw/zinc/52/96/88/455529688.db2.gz IHWCJRDNHOAYQT-BXWFABGCSA-N 1 3 331.504 3.035 20 70 EGIDHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000160281638 533849782 /nfs/dbraw/zinc/84/97/82/533849782.db2.gz NSCYDFIXAJYENQ-SJORKVTESA-N 1 3 327.476 3.182 20 70 EGIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159622056 455390249 /nfs/dbraw/zinc/39/02/49/455390249.db2.gz JIBMHFKJXOKODE-APWZRJJASA-N 1 3 329.532 3.406 20 70 EGIDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040532 455527124 /nfs/dbraw/zinc/52/71/24/455527124.db2.gz NJZUVWGRILVFRU-RTWAWAEBSA-N 1 3 329.532 3.156 20 70 EGIDHO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000161082857 455530947 /nfs/dbraw/zinc/53/09/47/455530947.db2.gz NAUKKYNUEQMMCO-CYJAXWMASA-N 1 3 331.504 3.033 20 70 EGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000161117699 455535894 /nfs/dbraw/zinc/53/58/94/455535894.db2.gz DSAHXTSQOOMNEF-IEZWGBDMSA-N 1 3 329.488 3.337 20 70 EGIDHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCCCC2)cc1)C(C)C ZINC000160245851 455441782 /nfs/dbraw/zinc/44/17/82/455441782.db2.gz DMQIFEFHUQQBEV-UHFFFAOYSA-N 1 3 331.504 3.133 20 70 EGIDHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCCCC2)cc1)C(C)C ZINC000160245851 455441788 /nfs/dbraw/zinc/44/17/88/455441788.db2.gz DMQIFEFHUQQBEV-UHFFFAOYSA-N 1 3 331.504 3.133 20 70 EGIDHO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000160923815 455514194 /nfs/dbraw/zinc/51/41/94/455514194.db2.gz CQTGSHMKPIILJS-UHFFFAOYSA-N 1 3 339.483 3.130 20 70 EGIDHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000160923815 455514195 /nfs/dbraw/zinc/51/41/95/455514195.db2.gz CQTGSHMKPIILJS-UHFFFAOYSA-N 1 3 339.483 3.130 20 70 EGIDHO C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000160938903 455515922 /nfs/dbraw/zinc/51/59/22/455515922.db2.gz SZMIJCGMNSRHGN-LAUBAEHRSA-N 1 3 342.483 3.401 20 70 EGIDHO Cc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161279128 455555849 /nfs/dbraw/zinc/55/58/49/455555849.db2.gz UYPRULKSBYHCOI-KRWDZBQOSA-N 1 3 339.483 3.137 20 70 EGIDHO C[C@@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000159711093 533387142 /nfs/dbraw/zinc/38/71/42/533387142.db2.gz GBDHIPDPNUOBFG-UYAOXDASSA-N 1 3 346.515 3.072 20 70 EGIDHO Cc1nc(C(C)C)sc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160176802 455435635 /nfs/dbraw/zinc/43/56/35/455435635.db2.gz UCJFFHPNKIBACG-CQSZACIVSA-N 1 3 338.565 3.252 20 70 EGIDHO CCN1CCCC[C@@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000161171756 455544678 /nfs/dbraw/zinc/54/46/78/455544678.db2.gz ILSHHASYNNLZQC-OAQYLSRUSA-N 1 3 329.532 3.158 20 70 EGIDHO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000161237776 455551136 /nfs/dbraw/zinc/55/11/36/455551136.db2.gz ZSUZMGKDTQXRPZ-QGZVFWFLSA-N 1 3 345.512 3.280 20 70 EGIDHO Cc1ccsc1[C@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240851 455551294 /nfs/dbraw/zinc/55/12/94/455551294.db2.gz YWAJYQSRQNIILI-HNNXBMFYSA-N 1 3 345.512 3.199 20 70 EGIDHO CSc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1F ZINC000160200227 225359584 /nfs/dbraw/zinc/35/95/84/225359584.db2.gz WJRULTUCFJTFIH-CQSZACIVSA-N 1 3 339.524 3.224 20 70 EGIDHO C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000160939008 455516000 /nfs/dbraw/zinc/51/60/00/455516000.db2.gz SZMIJCGMNSRHGN-DYESRHJHSA-N 1 3 342.483 3.401 20 70 EGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000161117447 455536120 /nfs/dbraw/zinc/53/61/20/455536120.db2.gz DSAHXTSQOOMNEF-WDYCEAGBSA-N 1 3 329.488 3.337 20 70 EGIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000160230194 533393658 /nfs/dbraw/zinc/39/36/58/533393658.db2.gz QAQXDOJISNNTKL-CYBMUJFWSA-N 1 3 327.875 3.156 20 70 EGIDHO CC(C)(C)C(=O)N1CCC(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000159768583 455401230 /nfs/dbraw/zinc/40/12/30/455401230.db2.gz QGMBZBHJALSELX-LJQANCHMSA-N 1 3 349.563 3.221 20 70 EGIDHO CC[C@@H](C)N(C)CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160094551 529342939 /nfs/dbraw/zinc/34/29/39/529342939.db2.gz VKWMGPDWJJHKTK-QGZVFWFLSA-N 1 3 335.511 3.153 20 70 EGIDHO CN(C)Cc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000159599144 455388437 /nfs/dbraw/zinc/38/84/37/455388437.db2.gz DBHLOWUJBCXCGM-UHFFFAOYSA-N 1 3 331.504 3.133 20 70 EGIDHO CN(C)Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000159599144 455388440 /nfs/dbraw/zinc/38/84/40/455388440.db2.gz DBHLOWUJBCXCGM-UHFFFAOYSA-N 1 3 331.504 3.133 20 70 EGIDHO CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cn2)CC1 ZINC000160486100 455465809 /nfs/dbraw/zinc/46/58/09/455465809.db2.gz QOXNWQITPWYTFF-JENIJYKNSA-N 1 3 330.520 3.136 20 70 EGIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533422 455470710 /nfs/dbraw/zinc/47/07/10/455470710.db2.gz PKBLRSNCNGMLOB-ZHALLVOQSA-N 1 3 330.520 3.280 20 70 EGIDHO CC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000160715563 455491316 /nfs/dbraw/zinc/49/13/16/455491316.db2.gz YNJHYJAIPULZOI-CRAIPNDOSA-N 1 3 326.431 3.242 20 70 EGIDHO CC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000160715563 455491322 /nfs/dbraw/zinc/49/13/22/455491322.db2.gz YNJHYJAIPULZOI-CRAIPNDOSA-N 1 3 326.431 3.242 20 70 EGIDHO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000161083103 455530487 /nfs/dbraw/zinc/53/04/87/455530487.db2.gz NAUKKYNUEQMMCO-RCJHGTSTSA-N 1 3 331.504 3.033 20 70 EGIDHO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000161173060 455544476 /nfs/dbraw/zinc/54/44/76/455544476.db2.gz KYVMXFOHFZZUPT-PKOBYXMFSA-N 1 3 333.520 3.152 20 70 EGIDHO CC(C)(C)CC(=O)N1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000159638758 455391879 /nfs/dbraw/zinc/39/18/79/455391879.db2.gz IOQLFHKOKAHVDN-UHFFFAOYSA-N 1 3 337.552 3.312 20 70 EGIDHO CCSc1ccccc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160200750 455437756 /nfs/dbraw/zinc/43/77/56/455437756.db2.gz IJESFTXHNZUDCK-INIZCTEOSA-N 1 3 335.561 3.475 20 70 EGIDHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371061 455451911 /nfs/dbraw/zinc/45/19/11/455451911.db2.gz YLYZDIFPEKMIKQ-BFHYXJOUSA-N 1 3 341.293 3.289 20 70 EGIDHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371061 455451916 /nfs/dbraw/zinc/45/19/16/455451916.db2.gz YLYZDIFPEKMIKQ-BFHYXJOUSA-N 1 3 341.293 3.289 20 70 EGIDHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3ccco3)cc2)CC1 ZINC000160328401 529149018 /nfs/dbraw/zinc/14/90/18/529149018.db2.gz GGJZMGFKYXGBBW-KRWDZBQOSA-N 1 3 327.472 3.268 20 70 EGIDHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000160878011 455507743 /nfs/dbraw/zinc/50/77/43/455507743.db2.gz KTUAEIBPXUMGFS-IQMFZBJNSA-N 1 3 330.497 3.336 20 70 EGIDHO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161229360 455550564 /nfs/dbraw/zinc/55/05/64/455550564.db2.gz VNJUUSVSUDXAPC-QGZVFWFLSA-N 1 3 331.504 3.203 20 70 EGIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1C(F)(F)F ZINC000160224968 533393697 /nfs/dbraw/zinc/39/36/97/533393697.db2.gz SGSUPPFFPZNNPG-CQSZACIVSA-N 1 3 343.437 3.382 20 70 EGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161029387 455525073 /nfs/dbraw/zinc/52/50/73/455525073.db2.gz LFFIZJJRNKAXRW-KBMXLJTQSA-N 1 3 329.488 3.440 20 70 EGIDHO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000161161578 455542439 /nfs/dbraw/zinc/54/24/39/455542439.db2.gz ZLWUBQNEENBAHX-HKUYNNGSSA-N 1 3 333.520 3.152 20 70 EGIDHO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000161237660 455551567 /nfs/dbraw/zinc/55/15/67/455551567.db2.gz ZSUZMGKDTQXRPZ-KRWDZBQOSA-N 1 3 345.512 3.280 20 70 EGIDHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000160229334 529165083 /nfs/dbraw/zinc/16/50/83/529165083.db2.gz MFZPSXFQOUFFHO-GOSISDBHSA-N 1 3 325.447 3.032 20 70 EGIDHO