smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000160925522 463382370 /nfs/dbraw/zinc/38/23/70/463382370.db2.gz LOXKHABBGVYFCE-IBGZPJMESA-N 1 3 337.483 2.257 20 70 EEIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000160226093 206285427 /nfs/dbraw/zinc/28/54/27/206285427.db2.gz HQCQPRKBYYHBOY-HNNXBMFYSA-N 1 3 333.476 2.134 20 70 EEIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160639394 463357591 /nfs/dbraw/zinc/35/75/91/463357591.db2.gz VGOQUGRAKBBCEB-LJQANCHMSA-N 1 3 344.503 2.244 20 70 EEIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160639394 463357596 /nfs/dbraw/zinc/35/75/96/463357596.db2.gz VGOQUGRAKBBCEB-LJQANCHMSA-N 1 3 344.503 2.244 20 70 EEIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160642958 463358893 /nfs/dbraw/zinc/35/88/93/463358893.db2.gz RAITVKMFRDLWQU-MSOLQXFVSA-N 1 3 334.508 2.131 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000160307636 206289705 /nfs/dbraw/zinc/28/97/05/206289705.db2.gz OJTHMBLNEXKLBA-WIYYLYMNSA-N 1 3 344.547 2.396 20 70 EEIDHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159805546 527984129 /nfs/dbraw/zinc/98/41/29/527984129.db2.gz BWYVNVIPXAWLEO-QGZVFWFLSA-N 1 3 326.529 2.336 20 70 EEIDHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159805546 527984134 /nfs/dbraw/zinc/98/41/34/527984134.db2.gz BWYVNVIPXAWLEO-QGZVFWFLSA-N 1 3 326.529 2.336 20 70 EEIDHO CC(=O)NC1CCC([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000161310729 206339984 /nfs/dbraw/zinc/33/99/84/206339984.db2.gz ADVVVVRVELHXIS-UHFFFAOYSA-N 1 3 333.476 2.164 20 70 EEIDHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2cnccn2)CC1 ZINC000160350823 206291956 /nfs/dbraw/zinc/29/19/56/206291956.db2.gz ZZMSDILRQOVNEC-KRWDZBQOSA-N 1 3 339.487 2.465 20 70 EEIDHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000160359649 311353658 /nfs/dbraw/zinc/35/36/58/311353658.db2.gz VUYLQANBVSXIGS-IEBWSBKVSA-N 1 3 344.503 2.387 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000161009894 463390319 /nfs/dbraw/zinc/39/03/19/463390319.db2.gz PXTGUDNJYXMHCD-QZTJIDSGSA-N 1 3 338.540 2.480 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000161009894 463390325 /nfs/dbraw/zinc/39/03/25/463390325.db2.gz PXTGUDNJYXMHCD-QZTJIDSGSA-N 1 3 338.540 2.480 20 70 EEIDHO CCN1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159735920 285210128 /nfs/dbraw/zinc/21/01/28/285210128.db2.gz ZDOSEBSVWKVBTR-IRXDYDNUSA-N 1 3 338.540 2.480 20 70 EEIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160642819 463357297 /nfs/dbraw/zinc/35/72/97/463357297.db2.gz RAITVKMFRDLWQU-QZTJIDSGSA-N 1 3 334.508 2.131 20 70 EEIDHO CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000161483416 311366575 /nfs/dbraw/zinc/36/65/75/311366575.db2.gz VOQIXFDGDTYSJX-SJLPKXTDSA-N 1 3 332.492 2.290 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000160341682 529149931 /nfs/dbraw/zinc/14/99/31/529149931.db2.gz NRBXQURQSRTNIZ-XLIONFOSSA-N 1 3 331.504 2.339 20 70 EEIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597190 311356215 /nfs/dbraw/zinc/35/62/15/311356215.db2.gz PHRXKEXZVJPSLA-HLIPFELVSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597190 311356217 /nfs/dbraw/zinc/35/62/17/311356217.db2.gz PHRXKEXZVJPSLA-HLIPFELVSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597190 311356218 /nfs/dbraw/zinc/35/62/18/311356218.db2.gz PHRXKEXZVJPSLA-HLIPFELVSA-N 1 3 331.504 2.337 20 70 EEIDHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000160998172 463389656 /nfs/dbraw/zinc/38/96/56/463389656.db2.gz JPAYTQBVAVFMIY-QZTJIDSGSA-N 1 3 344.503 2.217 20 70 EEIDHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000160261460 225373223 /nfs/dbraw/zinc/37/32/23/225373223.db2.gz QXOZDJAPAKNOKF-OAHLLOKOSA-N 1 3 335.492 2.380 20 70 EEIDHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159746274 463302620 /nfs/dbraw/zinc/30/26/20/463302620.db2.gz NZYUAXRKQOPNHV-QXAKKESOSA-N 1 3 344.503 2.290 20 70 EEIDHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159746274 463302624 /nfs/dbraw/zinc/30/26/24/463302624.db2.gz NZYUAXRKQOPNHV-QXAKKESOSA-N 1 3 344.503 2.290 20 70 EEIDHO CC[C@H](CSC)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160255196 463325934 /nfs/dbraw/zinc/32/59/34/463325934.db2.gz DAFSASVFDCCMKW-SJORKVTESA-N 1 3 337.533 2.479 20 70 EEIDHO C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000160359524 311353689 /nfs/dbraw/zinc/35/36/89/311353689.db2.gz VUYLQANBVSXIGS-HKUYNNGSSA-N 1 3 344.503 2.387 20 70 EEIDHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3cnccn3)cc2)CC1 ZINC000160317261 463329202 /nfs/dbraw/zinc/32/92/02/463329202.db2.gz DDRKJZGLTQAWMA-KRWDZBQOSA-N 1 3 339.487 2.465 20 70 EEIDHO CN(Cc1ccccc1C[N@H+](C)C[C@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000160746284 539523263 /nfs/dbraw/zinc/52/32/63/539523263.db2.gz SJDOPSXQMFAFHP-PMACEKPBSA-N 1 3 332.488 2.092 20 70 EEIDHO CN(Cc1ccccc1C[N@@H+](C)C[C@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000160746284 539523268 /nfs/dbraw/zinc/52/32/68/539523268.db2.gz SJDOPSXQMFAFHP-PMACEKPBSA-N 1 3 332.488 2.092 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](COC)C2CC2)CC1 ZINC000160365717 463331757 /nfs/dbraw/zinc/33/17/57/463331757.db2.gz JFVFNHGSJUZQSG-HXUWFJFHSA-N 1 3 331.504 2.339 20 70 EEIDHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160787907 463371296 /nfs/dbraw/zinc/37/12/96/463371296.db2.gz QMSYONGCTXLYLZ-MRXNPFEDSA-N 1 3 334.508 2.273 20 70 EEIDHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160787907 463371300 /nfs/dbraw/zinc/37/13/00/463371300.db2.gz QMSYONGCTXLYLZ-MRXNPFEDSA-N 1 3 334.508 2.273 20 70 EEIDHO CCN1CCCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000159780842 527842239 /nfs/dbraw/zinc/84/22/39/527842239.db2.gz FXGGJELXSMGJMM-UHFFFAOYSA-N 1 3 332.492 2.376 20 70 EEIDHO CCN1CCCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000159780842 527842242 /nfs/dbraw/zinc/84/22/42/527842242.db2.gz FXGGJELXSMGJMM-UHFFFAOYSA-N 1 3 332.492 2.376 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000160307760 529149204 /nfs/dbraw/zinc/14/92/04/529149204.db2.gz OJTHMBLNEXKLBA-NQIIRXRSSA-N 1 3 344.547 2.396 20 70 EEIDHO CCC(CC)(C[NH3+])C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000161278033 463415728 /nfs/dbraw/zinc/41/57/28/463415728.db2.gz IMWQWFXFVHKJSY-IYBDPMFKSA-N 1 3 339.524 2.099 20 70 EEIDHO CCN1CCCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159639449 279285271 /nfs/dbraw/zinc/28/52/71/279285271.db2.gz GCHJXTUBBQLSSH-ROUUACIJSA-N 1 3 338.540 2.482 20 70 EEIDHO COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000160258139 225374094 /nfs/dbraw/zinc/37/40/94/225374094.db2.gz MXMGENVSAGHASX-HNNXBMFYSA-N 1 3 335.492 2.380 20 70 EEIDHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000159609740 539516657 /nfs/dbraw/zinc/51/66/57/539516657.db2.gz TZUBJRLVUOAUKZ-MRXNPFEDSA-N 1 3 344.503 2.250 20 70 EEIDHO [NH3+][C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000160288698 225380950 /nfs/dbraw/zinc/38/09/50/225380950.db2.gz DTOMTJINFDEVNY-GDBMZVCRSA-N 1 3 341.377 2.001 20 70 EEIDHO CCN1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000159620598 463296599 /nfs/dbraw/zinc/29/65/99/463296599.db2.gz OEQJLLHBEVFWID-GOSISDBHSA-N 1 3 338.540 2.480 20 70 EEIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000159663622 463297795 /nfs/dbraw/zinc/29/77/95/463297795.db2.gz XGIFVYYYCDZIIH-APWZRJJASA-N 1 3 344.503 2.148 20 70 EEIDHO CC(C)(C)C(=O)N1CCC(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000160181033 539520237 /nfs/dbraw/zinc/52/02/37/539520237.db2.gz ZYJOLIMRCKOOBN-UHFFFAOYSA-N 1 3 344.503 2.488 20 70 EEIDHO CCN1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000159556883 529025728 /nfs/dbraw/zinc/02/57/28/529025728.db2.gz YUQRPZIRAYISLQ-UHFFFAOYSA-N 1 3 332.492 2.246 20 70 EEIDHO CCN1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000159556883 529025734 /nfs/dbraw/zinc/02/57/34/529025734.db2.gz YUQRPZIRAYISLQ-UHFFFAOYSA-N 1 3 332.492 2.246 20 70 EEIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160704752 463363434 /nfs/dbraw/zinc/36/34/34/463363434.db2.gz ACYPDXDLBJLBPP-ROUUACIJSA-N 1 3 334.508 2.131 20 70 EEIDHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2cnccn2)CC1 ZINC000160350953 206291422 /nfs/dbraw/zinc/29/14/22/206291422.db2.gz ZZMSDILRQOVNEC-QGZVFWFLSA-N 1 3 339.487 2.465 20 70 EEIDHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000161344161 463422774 /nfs/dbraw/zinc/42/27/74/463422774.db2.gz CGDBDOYIBMYSJA-FUHWJXTLSA-N 1 3 333.451 2.248 20 70 EEIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460156 288105014 /nfs/dbraw/zinc/10/50/14/288105014.db2.gz MKXWWFJTMYDOJD-HLIPFELVSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460156 288105016 /nfs/dbraw/zinc/10/50/16/288105016.db2.gz MKXWWFJTMYDOJD-HLIPFELVSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460156 288105019 /nfs/dbraw/zinc/10/50/19/288105019.db2.gz MKXWWFJTMYDOJD-HLIPFELVSA-N 1 3 331.504 2.337 20 70 EEIDHO CC[N@@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445381 206296848 /nfs/dbraw/zinc/29/68/48/206296848.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 1 3 331.504 2.339 20 70 EEIDHO CC[N@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445381 206296851 /nfs/dbraw/zinc/29/68/51/206296851.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 1 3 331.504 2.339 20 70 EEIDHO CCN1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445381 206296853 /nfs/dbraw/zinc/29/68/53/206296853.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 1 3 331.504 2.339 20 70 EEIDHO CCN1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000159585644 255796894 /nfs/dbraw/zinc/79/68/94/255796894.db2.gz FJOPGJIHBQGQLP-QGZVFWFLSA-N 1 3 326.529 2.480 20 70 EEIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597430 311356635 /nfs/dbraw/zinc/35/66/35/311356635.db2.gz PHRXKEXZVJPSLA-MBOZVWFJSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597430 311356636 /nfs/dbraw/zinc/35/66/36/311356636.db2.gz PHRXKEXZVJPSLA-MBOZVWFJSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597430 311356638 /nfs/dbraw/zinc/35/66/38/311356638.db2.gz PHRXKEXZVJPSLA-MBOZVWFJSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1CCCN(CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160307325 311352879 /nfs/dbraw/zinc/35/28/79/311352879.db2.gz WKEBXULVLIOTCY-QGZVFWFLSA-N 1 3 338.540 2.482 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000160902646 463380788 /nfs/dbraw/zinc/38/07/88/463380788.db2.gz KSPNNVUPOZOBGI-QGZVFWFLSA-N 1 3 326.529 2.479 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000160902646 463380789 /nfs/dbraw/zinc/38/07/89/463380789.db2.gz KSPNNVUPOZOBGI-QGZVFWFLSA-N 1 3 326.529 2.479 20 70 EEIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000160226232 206285370 /nfs/dbraw/zinc/28/53/70/206285370.db2.gz HQCQPRKBYYHBOY-OAHLLOKOSA-N 1 3 333.476 2.134 20 70 EEIDHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000160252071 311351838 /nfs/dbraw/zinc/35/18/38/311351838.db2.gz UKXJLNBHQGQOBQ-NEWSRXKRSA-N 1 3 344.503 2.385 20 70 EEIDHO CSc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000161272645 311364292 /nfs/dbraw/zinc/36/42/92/311364292.db2.gz XKNPPEXQLJRXHF-UHFFFAOYSA-N 1 3 327.469 2.113 20 70 EEIDHO CC(=O)Nc1cccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160150299 527084290 /nfs/dbraw/zinc/08/42/90/527084290.db2.gz IYKWHLHRIFGHEY-HNNXBMFYSA-N 1 3 332.492 2.322 20 70 EEIDHO CC[NH+](CC)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159457562 463287551 /nfs/dbraw/zinc/28/75/51/463287551.db2.gz MDSFDCHUNLIUGC-WMZOPIPTSA-N 1 3 332.492 2.148 20 70 EEIDHO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000159672556 463298466 /nfs/dbraw/zinc/29/84/66/463298466.db2.gz JWKGRKKSWYKUHJ-IBGZPJMESA-N 1 3 344.503 2.388 20 70 EEIDHO CC[N@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000159672556 463298469 /nfs/dbraw/zinc/29/84/69/463298469.db2.gz JWKGRKKSWYKUHJ-IBGZPJMESA-N 1 3 344.503 2.388 20 70 EEIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000159952306 463311304 /nfs/dbraw/zinc/31/13/04/463311304.db2.gz WTWNEGVZNPYYKD-HKUYNNGSSA-N 1 3 344.503 2.244 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000160966853 311360603 /nfs/dbraw/zinc/36/06/03/311360603.db2.gz MUZSMJFJUSNOMJ-ROUUACIJSA-N 1 3 336.524 2.377 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000160966853 311360604 /nfs/dbraw/zinc/36/06/04/311360604.db2.gz MUZSMJFJUSNOMJ-ROUUACIJSA-N 1 3 336.524 2.377 20 70 EEIDHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000161344045 463423174 /nfs/dbraw/zinc/42/31/74/463423174.db2.gz CGDBDOYIBMYSJA-WMZOPIPTSA-N 1 3 333.451 2.248 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000160319048 463328197 /nfs/dbraw/zinc/32/81/97/463328197.db2.gz SWFAGOLTMNEMQP-RXVVDRJESA-N 1 3 344.547 2.254 20 70 EEIDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597513 311356386 /nfs/dbraw/zinc/35/63/86/311356386.db2.gz PHRXKEXZVJPSLA-FUHIMQAGSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597513 311356387 /nfs/dbraw/zinc/35/63/87/311356387.db2.gz PHRXKEXZVJPSLA-FUHIMQAGSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597513 311356389 /nfs/dbraw/zinc/35/63/89/311356389.db2.gz PHRXKEXZVJPSLA-FUHIMQAGSA-N 1 3 331.504 2.337 20 70 EEIDHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000160997925 463389239 /nfs/dbraw/zinc/38/92/39/463389239.db2.gz JPAYTQBVAVFMIY-ZWKOTPCHSA-N 1 3 344.503 2.217 20 70 EEIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000159952167 463312067 /nfs/dbraw/zinc/31/20/67/463312067.db2.gz WTWNEGVZNPYYKD-MJGOQNOKSA-N 1 3 344.503 2.244 20 70 EEIDHO CC[C@@H](CSC)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160255057 529527743 /nfs/dbraw/zinc/52/77/43/529527743.db2.gz DAFSASVFDCCMKW-IRXDYDNUSA-N 1 3 337.533 2.479 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000161010034 463390894 /nfs/dbraw/zinc/39/08/94/463390894.db2.gz PXTGUDNJYXMHCD-MSOLQXFVSA-N 1 3 338.540 2.480 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000161010034 463390898 /nfs/dbraw/zinc/39/08/98/463390898.db2.gz PXTGUDNJYXMHCD-MSOLQXFVSA-N 1 3 338.540 2.480 20 70 EEIDHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000159609600 539516857 /nfs/dbraw/zinc/51/68/57/539516857.db2.gz TZUBJRLVUOAUKZ-INIZCTEOSA-N 1 3 344.503 2.250 20 70 EEIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160704622 463363626 /nfs/dbraw/zinc/36/36/26/463363626.db2.gz ACYPDXDLBJLBPP-QZTJIDSGSA-N 1 3 334.508 2.131 20 70 EEIDHO C[NH+](C)CCCC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000160093330 311350215 /nfs/dbraw/zinc/35/02/15/311350215.db2.gz OZHDXGXRELAEHH-UHFFFAOYSA-N 1 3 336.524 2.377 20 70 EEIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000160609308 463355510 /nfs/dbraw/zinc/35/55/10/463355510.db2.gz CYQOOVOOSCADLA-QGZVFWFLSA-N 1 3 348.491 2.146 20 70 EEIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000160609308 463355516 /nfs/dbraw/zinc/35/55/16/463355516.db2.gz CYQOOVOOSCADLA-QGZVFWFLSA-N 1 3 348.491 2.146 20 70 EEIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000160237107 533856658 /nfs/dbraw/zinc/85/66/58/533856658.db2.gz SJAVCPKRCXKVTJ-NPMXOYFQSA-N 1 3 337.533 2.101 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](COC)C3CC3)cc2)CC1 ZINC000160333435 463328504 /nfs/dbraw/zinc/32/85/04/463328504.db2.gz ZWMLBYRXXSFNCB-FQEVSTJZSA-N 1 3 331.504 2.339 20 70 EEIDHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000161343786 463423102 /nfs/dbraw/zinc/42/31/02/463423102.db2.gz CGDBDOYIBMYSJA-AEFFLSMTSA-N 1 3 333.451 2.248 20 70 EEIDHO Cc1ccc(C)c([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000160925400 311359957 /nfs/dbraw/zinc/35/99/57/311359957.db2.gz CUYLTIIEIFLCOS-IBGZPJMESA-N 1 3 333.520 2.344 20 70 EEIDHO COc1ccc(OC)c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160165677 225352072 /nfs/dbraw/zinc/35/20/72/225352072.db2.gz PWWSCRSNWOGSFU-OAHLLOKOSA-N 1 3 335.492 2.380 20 70 EEIDHO CN(C)CCOc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161376956 463426651 /nfs/dbraw/zinc/42/66/51/463426651.db2.gz RJMYIXHZEQQFGA-UHFFFAOYSA-N 1 3 334.460 2.402 20 70 EEIDHO [NH3+][C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000160288844 225381959 /nfs/dbraw/zinc/38/19/59/225381959.db2.gz DTOMTJINFDEVNY-ZBFHGGJFSA-N 1 3 341.377 2.001 20 70 EEIDHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000160064236 463317735 /nfs/dbraw/zinc/31/77/35/463317735.db2.gz GSOYHKRFWLKONX-UHFFFAOYSA-N 1 3 344.503 2.041 20 70 EEIDHO CCOCCCNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160546234 463349601 /nfs/dbraw/zinc/34/96/01/463349601.db2.gz DAIQJUKLBVSMHU-UHFFFAOYSA-N 1 3 339.524 2.117 20 70 EEIDHO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000160311572 534703242 /nfs/dbraw/zinc/70/32/42/534703242.db2.gz IQYRXTXPFPOKHT-PBHICJAKSA-N 1 3 343.475 2.193 20 70 EEIDHO CC(=O)Nc1cccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160150429 527080870 /nfs/dbraw/zinc/08/08/70/527080870.db2.gz IYKWHLHRIFGHEY-OAHLLOKOSA-N 1 3 332.492 2.322 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000160341545 529149956 /nfs/dbraw/zinc/14/99/56/529149956.db2.gz NRBXQURQSRTNIZ-PXNSSMCTSA-N 1 3 331.504 2.339 20 70 EEIDHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000161074304 311361956 /nfs/dbraw/zinc/36/19/56/311361956.db2.gz LZCQQTHOIMISEA-XBFCOCLRSA-N 1 3 329.286 2.497 20 70 EEIDHO C[C@H](Cn1cc(Br)cn1)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161074304 311361958 /nfs/dbraw/zinc/36/19/58/311361958.db2.gz LZCQQTHOIMISEA-XBFCOCLRSA-N 1 3 329.286 2.497 20 70 EEIDHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000161343919 463423568 /nfs/dbraw/zinc/42/35/68/463423568.db2.gz CGDBDOYIBMYSJA-SJLPKXTDSA-N 1 3 333.451 2.248 20 70 EEIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160643067 463358742 /nfs/dbraw/zinc/35/87/42/463358742.db2.gz RAITVKMFRDLWQU-ZWKOTPCHSA-N 1 3 334.508 2.131 20 70 EEIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160643190 463358800 /nfs/dbraw/zinc/35/88/00/463358800.db2.gz RAITVKMFRDLWQU-ROUUACIJSA-N 1 3 334.508 2.131 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000160310900 206289893 /nfs/dbraw/zinc/28/98/93/206289893.db2.gz PSAKFXXFDJNZKI-XLIONFOSSA-N 1 3 331.504 2.339 20 70 EEIDHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000160998292 463389611 /nfs/dbraw/zinc/38/96/11/463389611.db2.gz JPAYTQBVAVFMIY-MSOLQXFVSA-N 1 3 344.503 2.217 20 70 EEIDHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000160925268 311360157 /nfs/dbraw/zinc/36/01/57/311360157.db2.gz CUYLTIIEIFLCOS-LJQANCHMSA-N 1 3 333.520 2.344 20 70 EEIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160237356 206286240 /nfs/dbraw/zinc/28/62/40/206286240.db2.gz SJAVCPKRCXKVTJ-WNSKOXEYSA-N 1 3 337.533 2.101 20 70 EEIDHO CN1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000159569010 311342998 /nfs/dbraw/zinc/34/29/98/311342998.db2.gz RZYRERYYFASBJY-UHFFFAOYSA-N 1 3 336.524 2.378 20 70 EEIDHO COc1ccc(OC)c([C@H](C)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160165560 206282322 /nfs/dbraw/zinc/28/23/22/206282322.db2.gz PWWSCRSNWOGSFU-HNNXBMFYSA-N 1 3 335.492 2.380 20 70 EEIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000160020511 463316332 /nfs/dbraw/zinc/31/63/32/463316332.db2.gz XUOJTRRVWJYZNO-NEWSRXKRSA-N 1 3 344.503 2.243 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000160318898 463328845 /nfs/dbraw/zinc/32/88/45/463328845.db2.gz SWFAGOLTMNEMQP-GHTZIAJQSA-N 1 3 344.547 2.254 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000160351690 463330073 /nfs/dbraw/zinc/33/00/73/463330073.db2.gz SEGGXMCPEVTWDV-GHTZIAJQSA-N 1 3 344.547 2.254 20 70 EEIDHO CCC(CC)(C[NH3+])C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000161278223 463415650 /nfs/dbraw/zinc/41/56/50/463415650.db2.gz IMWQWFXFVHKJSY-HOTGVXAUSA-N 1 3 339.524 2.099 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000160310680 206290475 /nfs/dbraw/zinc/29/04/75/206290475.db2.gz PSAKFXXFDJNZKI-YLJYHZDGSA-N 1 3 331.504 2.339 20 70 EEIDHO CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000161483165 311366703 /nfs/dbraw/zinc/36/67/03/311366703.db2.gz VOQIXFDGDTYSJX-FUHWJXTLSA-N 1 3 332.492 2.290 20 70 EEIDHO CN(Cc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000160821748 539523833 /nfs/dbraw/zinc/52/38/33/539523833.db2.gz QILFZLNKNDKLBY-PMACEKPBSA-N 1 3 332.488 2.092 20 70 EEIDHO CN(Cc1cccc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000160821748 539523837 /nfs/dbraw/zinc/52/38/37/539523837.db2.gz QILFZLNKNDKLBY-PMACEKPBSA-N 1 3 332.488 2.092 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000160351810 463329910 /nfs/dbraw/zinc/32/99/10/463329910.db2.gz SEGGXMCPEVTWDV-RXVVDRJESA-N 1 3 344.547 2.254 20 70 EEIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160704889 463363382 /nfs/dbraw/zinc/36/33/82/463363382.db2.gz ACYPDXDLBJLBPP-ZWKOTPCHSA-N 1 3 334.508 2.131 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000160310545 529149141 /nfs/dbraw/zinc/14/91/41/529149141.db2.gz PSAKFXXFDJNZKI-FXAWDEMLSA-N 1 3 331.504 2.339 20 70 EEIDHO CC(=O)NC1CCC([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000161376821 463426978 /nfs/dbraw/zinc/42/69/78/463426978.db2.gz ZPTNATIYTCLRPJ-UHFFFAOYSA-N 1 3 333.476 2.164 20 70 EEIDHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159746400 463302821 /nfs/dbraw/zinc/30/28/21/463302821.db2.gz NZYUAXRKQOPNHV-YTQUADARSA-N 1 3 344.503 2.290 20 70 EEIDHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159746400 463302826 /nfs/dbraw/zinc/30/28/26/463302826.db2.gz NZYUAXRKQOPNHV-YTQUADARSA-N 1 3 344.503 2.290 20 70 EEIDHO CCN1CCCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159639286 463296892 /nfs/dbraw/zinc/29/68/92/463296892.db2.gz GCHJXTUBBQLSSH-HDICACEKSA-N 1 3 338.540 2.482 20 70 EEIDHO CCN1CCCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159639286 463296893 /nfs/dbraw/zinc/29/68/93/463296893.db2.gz GCHJXTUBBQLSSH-HDICACEKSA-N 1 3 338.540 2.482 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000160338784 529149885 /nfs/dbraw/zinc/14/98/85/529149885.db2.gz QPUBFDAVLJIJKX-WIYYLYMNSA-N 1 3 344.547 2.396 20 70 EEIDHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000160925644 463382299 /nfs/dbraw/zinc/38/22/99/463382299.db2.gz LOXKHABBGVYFCE-LJQANCHMSA-N 1 3 337.483 2.257 20 70 EEIDHO CCN1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000159620455 463296081 /nfs/dbraw/zinc/29/60/81/463296081.db2.gz OEQJLLHBEVFWID-SFHVURJKSA-N 1 3 338.540 2.480 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](COC)C3CC3)cc2)CC1 ZINC000160333555 463329262 /nfs/dbraw/zinc/32/92/62/463329262.db2.gz ZWMLBYRXXSFNCB-HXUWFJFHSA-N 1 3 331.504 2.339 20 70 EEIDHO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000160311300 534703781 /nfs/dbraw/zinc/70/37/81/534703781.db2.gz IQYRXTXPFPOKHT-YOEHRIQHSA-N 1 3 343.475 2.193 20 70 EEIDHO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000160311436 225384992 /nfs/dbraw/zinc/38/49/92/225384992.db2.gz IQYRXTXPFPOKHT-RHSMWYFYSA-N 1 3 343.475 2.193 20 70 EEIDHO CC[N@@H+]1CC[C@@H](NCc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445520 463340394 /nfs/dbraw/zinc/34/03/94/463340394.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 1 3 331.504 2.339 20 70 EEIDHO CC[N@H+]1CC[C@@H](NCc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445520 463340396 /nfs/dbraw/zinc/34/03/96/463340396.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 1 3 331.504 2.339 20 70 EEIDHO CCN1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445520 463340399 /nfs/dbraw/zinc/34/03/99/463340399.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 1 3 331.504 2.339 20 70 EEIDHO CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500126 311342213 /nfs/dbraw/zinc/34/22/13/311342213.db2.gz MSWYMVSGXVJFLS-JENIJYKNSA-N 1 3 345.535 2.042 20 70 EEIDHO CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500126 311342214 /nfs/dbraw/zinc/34/22/14/311342214.db2.gz MSWYMVSGXVJFLS-JENIJYKNSA-N 1 3 345.535 2.042 20 70 EEIDHO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cn2)CC1 ZINC000159500126 311342215 /nfs/dbraw/zinc/34/22/15/311342215.db2.gz MSWYMVSGXVJFLS-JENIJYKNSA-N 1 3 345.535 2.042 20 70 EEIDHO CCC(CC)(C[NH3+])C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000161278130 463415879 /nfs/dbraw/zinc/41/58/79/463415879.db2.gz IMWQWFXFVHKJSY-HZPDHXFCSA-N 1 3 339.524 2.099 20 70 EEIDHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000160311171 225385790 /nfs/dbraw/zinc/38/57/90/225385790.db2.gz IQYRXTXPFPOKHT-WMLDXEAASA-N 1 3 343.475 2.193 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000160966737 311360361 /nfs/dbraw/zinc/36/03/61/311360361.db2.gz MUZSMJFJUSNOMJ-MSOLQXFVSA-N 1 3 336.524 2.377 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000160966737 311360365 /nfs/dbraw/zinc/36/03/65/311360365.db2.gz MUZSMJFJUSNOMJ-MSOLQXFVSA-N 1 3 336.524 2.377 20 70 EEIDHO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000160396992 534703627 /nfs/dbraw/zinc/70/36/27/534703627.db2.gz RYKWWOIGFUQTCY-YOEHRIQHSA-N 1 3 343.475 2.193 20 70 EEIDHO Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000160396992 534703628 /nfs/dbraw/zinc/70/36/28/534703628.db2.gz RYKWWOIGFUQTCY-YOEHRIQHSA-N 1 3 343.475 2.193 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000160902755 463380744 /nfs/dbraw/zinc/38/07/44/463380744.db2.gz KSPNNVUPOZOBGI-KRWDZBQOSA-N 1 3 326.529 2.479 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000160902755 463380750 /nfs/dbraw/zinc/38/07/50/463380750.db2.gz KSPNNVUPOZOBGI-KRWDZBQOSA-N 1 3 326.529 2.479 20 70 EEIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000159663758 463298701 /nfs/dbraw/zinc/29/87/01/463298701.db2.gz XGIFVYYYCDZIIH-LPHOPBHVSA-N 1 3 344.503 2.148 20 70 EEIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000160609418 463354737 /nfs/dbraw/zinc/35/47/37/463354737.db2.gz CYQOOVOOSCADLA-KRWDZBQOSA-N 1 3 348.491 2.146 20 70 EEIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000160609418 463354739 /nfs/dbraw/zinc/35/47/39/463354739.db2.gz CYQOOVOOSCADLA-KRWDZBQOSA-N 1 3 348.491 2.146 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000161017314 463391935 /nfs/dbraw/zinc/39/19/35/463391935.db2.gz DCVADPNEJBXFFW-ROUUACIJSA-N 1 3 334.508 2.153 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000161017314 463391939 /nfs/dbraw/zinc/39/19/39/463391939.db2.gz DCVADPNEJBXFFW-ROUUACIJSA-N 1 3 334.508 2.153 20 70 EEIDHO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000160397133 463334704 /nfs/dbraw/zinc/33/47/04/463334704.db2.gz RYKWWOIGFUQTCY-RHSMWYFYSA-N 1 3 343.475 2.193 20 70 EEIDHO Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000160397133 463334709 /nfs/dbraw/zinc/33/47/09/463334709.db2.gz RYKWWOIGFUQTCY-RHSMWYFYSA-N 1 3 343.475 2.193 20 70 EEIDHO CCN1CCCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000159585810 255796725 /nfs/dbraw/zinc/79/67/25/255796725.db2.gz FJOPGJIHBQGQLP-KRWDZBQOSA-N 1 3 326.529 2.480 20 70 EEIDHO C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000160359411 311353524 /nfs/dbraw/zinc/35/35/24/311353524.db2.gz VUYLQANBVSXIGS-MJGOQNOKSA-N 1 3 344.503 2.387 20 70 EEIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000160237232 206286888 /nfs/dbraw/zinc/28/68/88/206286888.db2.gz SJAVCPKRCXKVTJ-IQMFZBJNSA-N 1 3 337.533 2.101 20 70 EEIDHO CC[NH+](CC)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000161483532 311366634 /nfs/dbraw/zinc/36/66/34/311366634.db2.gz VOQIXFDGDTYSJX-AEFFLSMTSA-N 1 3 332.492 2.290 20 70 EEIDHO NC(=O)CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000159840551 539518985 /nfs/dbraw/zinc/51/89/85/539518985.db2.gz JLFZPCORMZNIQT-UHFFFAOYSA-N 1 3 345.487 2.249 20 70 EEIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160237506 206286137 /nfs/dbraw/zinc/28/61/37/206286137.db2.gz SJAVCPKRCXKVTJ-CMJOXMDJSA-N 1 3 337.533 2.101 20 70 EEIDHO CCN1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159735775 463302920 /nfs/dbraw/zinc/30/29/20/463302920.db2.gz ZDOSEBSVWKVBTR-CALCHBBNSA-N 1 3 338.540 2.480 20 70 EEIDHO CCN1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159735775 463302926 /nfs/dbraw/zinc/30/29/26/463302926.db2.gz ZDOSEBSVWKVBTR-CALCHBBNSA-N 1 3 338.540 2.480 20 70 EEIDHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000160252310 311351913 /nfs/dbraw/zinc/35/19/13/311351913.db2.gz UKXJLNBHQGQOBQ-QRQLOZEOSA-N 1 3 344.503 2.385 20 70 EEIDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460542 463341628 /nfs/dbraw/zinc/34/16/28/463341628.db2.gz MKXWWFJTMYDOJD-FUHIMQAGSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460542 463341630 /nfs/dbraw/zinc/34/16/30/463341630.db2.gz MKXWWFJTMYDOJD-FUHIMQAGSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460542 463341633 /nfs/dbraw/zinc/34/16/33/463341633.db2.gz MKXWWFJTMYDOJD-FUHIMQAGSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000160359775 311353607 /nfs/dbraw/zinc/35/36/07/311353607.db2.gz VUYLQANBVSXIGS-PKOBYXMFSA-N 1 3 344.503 2.387 20 70 EEIDHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161074084 311361751 /nfs/dbraw/zinc/36/17/51/311361751.db2.gz LZCQQTHOIMISEA-BNOWGMLFSA-N 1 3 329.286 2.497 20 70 EEIDHO C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161074084 311361752 /nfs/dbraw/zinc/36/17/52/311361752.db2.gz LZCQQTHOIMISEA-BNOWGMLFSA-N 1 3 329.286 2.497 20 70 EEIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160704503 463363910 /nfs/dbraw/zinc/36/39/10/463363910.db2.gz ACYPDXDLBJLBPP-MSOLQXFVSA-N 1 3 334.508 2.131 20 70 EEIDHO CCN1CCCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000159956985 463312898 /nfs/dbraw/zinc/31/28/98/463312898.db2.gz BHHFKVXZDKVKIP-UHFFFAOYSA-N 1 3 338.540 2.482 20 70 EEIDHO CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500375 311342085 /nfs/dbraw/zinc/34/20/85/311342085.db2.gz MSWYMVSGXVJFLS-YQVWRLOYSA-N 1 3 345.535 2.042 20 70 EEIDHO CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500375 311342086 /nfs/dbraw/zinc/34/20/86/311342086.db2.gz MSWYMVSGXVJFLS-YQVWRLOYSA-N 1 3 345.535 2.042 20 70 EEIDHO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)cn2)CC1 ZINC000159500375 311342087 /nfs/dbraw/zinc/34/20/87/311342087.db2.gz MSWYMVSGXVJFLS-YQVWRLOYSA-N 1 3 345.535 2.042 20 70 EEIDHO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000160397265 463334422 /nfs/dbraw/zinc/33/44/22/463334422.db2.gz RYKWWOIGFUQTCY-PBHICJAKSA-N 1 3 343.475 2.193 20 70 EEIDHO Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000160397265 463334428 /nfs/dbraw/zinc/33/44/28/463334428.db2.gz RYKWWOIGFUQTCY-PBHICJAKSA-N 1 3 343.475 2.193 20 70 EEIDHO COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000160261336 225372843 /nfs/dbraw/zinc/37/28/43/225372843.db2.gz QXOZDJAPAKNOKF-HNNXBMFYSA-N 1 3 335.492 2.380 20 70 EEIDHO CCC([NH3+])(CC)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000160554838 463349309 /nfs/dbraw/zinc/34/93/09/463349309.db2.gz IDDFYWHAPAPPPH-UHFFFAOYSA-N 1 3 346.519 2.464 20 70 EEIDHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159805697 527971897 /nfs/dbraw/zinc/97/18/97/527971897.db2.gz BWYVNVIPXAWLEO-KRWDZBQOSA-N 1 3 326.529 2.336 20 70 EEIDHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159805697 527971903 /nfs/dbraw/zinc/97/19/03/527971903.db2.gz BWYVNVIPXAWLEO-KRWDZBQOSA-N 1 3 326.529 2.336 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000160341440 529149690 /nfs/dbraw/zinc/14/96/90/529149690.db2.gz NRBXQURQSRTNIZ-YLJYHZDGSA-N 1 3 331.504 2.339 20 70 EEIDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597314 311356362 /nfs/dbraw/zinc/35/63/62/311356362.db2.gz PHRXKEXZVJPSLA-UWVAXJGDSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597314 311356364 /nfs/dbraw/zinc/35/63/64/311356364.db2.gz PHRXKEXZVJPSLA-UWVAXJGDSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160597314 311356365 /nfs/dbraw/zinc/35/63/65/311356365.db2.gz PHRXKEXZVJPSLA-UWVAXJGDSA-N 1 3 331.504 2.337 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000160338922 529149978 /nfs/dbraw/zinc/14/99/78/529149978.db2.gz QPUBFDAVLJIJKX-NQIIRXRSSA-N 1 3 344.547 2.396 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](COC)C2CC2)CC1 ZINC000160365603 279363769 /nfs/dbraw/zinc/36/37/69/279363769.db2.gz JFVFNHGSJUZQSG-FQEVSTJZSA-N 1 3 331.504 2.339 20 70 EEIDHO CN1CCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159715666 311344960 /nfs/dbraw/zinc/34/49/60/311344960.db2.gz FJSYGJRPVFFDTA-GOSISDBHSA-N 1 3 336.524 2.378 20 70 EEIDHO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000159672335 463298959 /nfs/dbraw/zinc/29/89/59/463298959.db2.gz JWKGRKKSWYKUHJ-LJQANCHMSA-N 1 3 344.503 2.388 20 70 EEIDHO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000159672335 463298962 /nfs/dbraw/zinc/29/89/62/463298962.db2.gz JWKGRKKSWYKUHJ-LJQANCHMSA-N 1 3 344.503 2.388 20 70 EEIDHO CN(C)CCOc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161310861 463418439 /nfs/dbraw/zinc/41/84/39/463418439.db2.gz NTFIGVYJXOWNBF-UHFFFAOYSA-N 1 3 334.460 2.402 20 70 EEIDHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000160998057 463389530 /nfs/dbraw/zinc/38/95/30/463389530.db2.gz JPAYTQBVAVFMIY-ROUUACIJSA-N 1 3 344.503 2.217 20 70 EEIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160639532 463357636 /nfs/dbraw/zinc/35/76/36/463357636.db2.gz VGOQUGRAKBBCEB-IBGZPJMESA-N 1 3 344.503 2.244 20 70 EEIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160639532 463357640 /nfs/dbraw/zinc/35/76/40/463357640.db2.gz VGOQUGRAKBBCEB-IBGZPJMESA-N 1 3 344.503 2.244 20 70 EEIDHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160788020 463371396 /nfs/dbraw/zinc/37/13/96/463371396.db2.gz QMSYONGCTXLYLZ-INIZCTEOSA-N 1 3 334.508 2.273 20 70 EEIDHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160788020 463371399 /nfs/dbraw/zinc/37/13/99/463371399.db2.gz QMSYONGCTXLYLZ-INIZCTEOSA-N 1 3 334.508 2.273 20 70 EEIDHO CC[NH+](CC)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159457435 463287524 /nfs/dbraw/zinc/28/75/24/463287524.db2.gz MDSFDCHUNLIUGC-FUHWJXTLSA-N 1 3 332.492 2.148 20 70 EEIDHO CC1CCN(CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160305529 311352808 /nfs/dbraw/zinc/35/28/08/311352808.db2.gz HTUAKKBTXQQFQX-UHFFFAOYSA-N 1 3 338.540 2.482 20 70 EEIDHO CC[NH+](CC)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000161483285 311366610 /nfs/dbraw/zinc/36/66/10/311366610.db2.gz VOQIXFDGDTYSJX-WMZOPIPTSA-N 1 3 332.492 2.290 20 70 EEIDHO C[C@H]1CCCN(CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160307450 311352838 /nfs/dbraw/zinc/35/28/38/311352838.db2.gz WKEBXULVLIOTCY-KRWDZBQOSA-N 1 3 338.540 2.482 20 70 EEIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000160020675 463315361 /nfs/dbraw/zinc/31/53/61/463315361.db2.gz XUOJTRRVWJYZNO-WDSOQIARSA-N 1 3 344.503 2.243 20 70 EEIDHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3cnccn3)cc2)CC1 ZINC000160317399 463328596 /nfs/dbraw/zinc/32/85/96/463328596.db2.gz DDRKJZGLTQAWMA-QGZVFWFLSA-N 1 3 339.487 2.465 20 70 EEIDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460287 463339529 /nfs/dbraw/zinc/33/95/29/463339529.db2.gz MKXWWFJTMYDOJD-UWVAXJGDSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460287 463339537 /nfs/dbraw/zinc/33/95/37/463339537.db2.gz MKXWWFJTMYDOJD-UWVAXJGDSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460287 463339542 /nfs/dbraw/zinc/33/95/42/463339542.db2.gz MKXWWFJTMYDOJD-UWVAXJGDSA-N 1 3 331.504 2.337 20 70 EEIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000161017188 277387328 /nfs/dbraw/zinc/38/73/28/277387328.db2.gz DCVADPNEJBXFFW-MSOLQXFVSA-N 1 3 334.508 2.153 20 70 EEIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000161017188 277387329 /nfs/dbraw/zinc/38/73/29/277387329.db2.gz DCVADPNEJBXFFW-MSOLQXFVSA-N 1 3 334.508 2.153 20 70 EEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000160310793 529149194 /nfs/dbraw/zinc/14/91/94/529149194.db2.gz PSAKFXXFDJNZKI-PXNSSMCTSA-N 1 3 331.504 2.339 20 70 EEIDHO COc1c(C)cnc(C[NH+]2CCC(CN3CCOCC3)CC2)c1C ZINC000160970193 463386820 /nfs/dbraw/zinc/38/68/20/463386820.db2.gz NDXQSZZNPGHZAO-UHFFFAOYSA-N 1 3 333.476 2.251 20 70 EEIDHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000160396841 463335205 /nfs/dbraw/zinc/33/52/05/463335205.db2.gz RYKWWOIGFUQTCY-WMLDXEAASA-N 1 3 343.475 2.193 20 70 EEIDHO Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000160396841 463335209 /nfs/dbraw/zinc/33/52/09/463335209.db2.gz RYKWWOIGFUQTCY-WMLDXEAASA-N 1 3 343.475 2.193 20 70 EEIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460411 463340604 /nfs/dbraw/zinc/34/06/04/463340604.db2.gz MKXWWFJTMYDOJD-MBOZVWFJSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460411 463340607 /nfs/dbraw/zinc/34/06/07/463340607.db2.gz MKXWWFJTMYDOJD-MBOZVWFJSA-N 1 3 331.504 2.337 20 70 EEIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000160460411 463340611 /nfs/dbraw/zinc/34/06/11/463340611.db2.gz MKXWWFJTMYDOJD-MBOZVWFJSA-N 1 3 331.504 2.337 20 70 EEIDHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000160258254 225374200 /nfs/dbraw/zinc/37/42/00/225374200.db2.gz MXMGENVSAGHASX-OAHLLOKOSA-N 1 3 335.492 2.380 20 70 EEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000160341328 529149807 /nfs/dbraw/zinc/14/98/07/529149807.db2.gz NRBXQURQSRTNIZ-FXAWDEMLSA-N 1 3 331.504 2.339 20 70 EEIDHO