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)[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079415539 185170217 /nfs/dbraw/zinc/17/02/17/185170217.db2.gz SFDGTXQVHADLOM-HNNXBMFYSA-N 2 1 303.450 2.235 40 0 DEABMP CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079390963 185168189 /nfs/dbraw/zinc/16/81/89/185168189.db2.gz TYJQFPFOIKILQL-MSOLQXFVSA-N 2 1 317.477 2.483 40 0 DEABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000585103469 357334010 /nfs/dbraw/zinc/33/40/10/357334010.db2.gz PEGPXURIHNHILS-MRXNPFEDSA-N 2 1 303.450 2.180 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)s1 ZINC000096052283 402051646 /nfs/dbraw/zinc/05/16/46/402051646.db2.gz NHHCRIJOALYMQZ-WBVHZDCISA-N 2 1 324.490 2.368 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178269 402140000 /nfs/dbraw/zinc/14/00/00/402140000.db2.gz CZYZWFWZEROSQK-CALCHBBNSA-N 2 1 303.450 2.283 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000248031847 402580945 /nfs/dbraw/zinc/58/09/45/402580945.db2.gz TZDISLJCDSEHBM-UAGQMJEPSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000248031847 402580946 /nfs/dbraw/zinc/58/09/46/402580946.db2.gz TZDISLJCDSEHBM-UAGQMJEPSA-N 2 1 324.490 2.306 40 0 DEABMP c1ccc(CN2CCC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000253595542 402669633 /nfs/dbraw/zinc/66/96/33/402669633.db2.gz FUUNYYHRVNTBNQ-IEBWSBKVSA-N 2 1 315.461 2.406 40 0 DEABMP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415657 279391996 /nfs/dbraw/zinc/39/19/96/279391996.db2.gz HDTPZJJEXQPPBQ-MAUKXSAKSA-N 2 1 315.461 2.379 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000242548854 528831454 /nfs/dbraw/zinc/83/14/54/528831454.db2.gz LWWLRYYGOOHGPF-XIRDDKMYSA-N 2 1 303.450 2.283 40 0 DEABMP CC(C)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404496 185169457 /nfs/dbraw/zinc/16/94/57/185169457.db2.gz KIXPNYBZEYDUPB-DOTOQJQBSA-N 2 1 303.450 2.235 40 0 DEABMP COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000247915008 402578058 /nfs/dbraw/zinc/57/80/58/402578058.db2.gz VRKDJJYFEHEEDW-BHIYHBOVSA-N 2 1 316.445 2.238 40 0 DEABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(F)cc3)C2)O1 ZINC000096052287 282121924 /nfs/dbraw/zinc/12/19/24/282121924.db2.gz RQVPTTITIYOFHS-ROUUACIJSA-N 2 1 322.424 2.137 40 0 DEABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404589 185169541 /nfs/dbraw/zinc/16/95/41/185169541.db2.gz YFZYTIWAWVVOQN-RDJZCZTQSA-N 2 1 315.461 2.237 40 0 DEABMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)Cc1ccccc1O2 ZINC000072394176 401710041 /nfs/dbraw/zinc/71/00/41/401710041.db2.gz FPLZYVCGCFPPLG-INIZCTEOSA-N 2 1 316.445 2.382 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1 ZINC000096055200 402052489 /nfs/dbraw/zinc/05/24/89/402052489.db2.gz TZDISLJCDSEHBM-USXIJHARSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccs1 ZINC000096055200 402052491 /nfs/dbraw/zinc/05/24/91/402052491.db2.gz TZDISLJCDSEHBM-USXIJHARSA-N 2 1 324.490 2.306 40 0 DEABMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)o1 ZINC000096054167 402052584 /nfs/dbraw/zinc/05/25/84/402052584.db2.gz PCUDKRWZXQFNDP-SJORKVTESA-N 2 1 314.433 2.275 40 0 DEABMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)o1 ZINC000096054167 402052587 /nfs/dbraw/zinc/05/25/87/402052587.db2.gz PCUDKRWZXQFNDP-SJORKVTESA-N 2 1 314.433 2.275 40 0 DEABMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)o1 ZINC000096054167 402052590 /nfs/dbraw/zinc/05/25/90/402052590.db2.gz PCUDKRWZXQFNDP-SJORKVTESA-N 2 1 314.433 2.275 40 0 DEABMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)o1 ZINC000096054167 402052594 /nfs/dbraw/zinc/05/25/94/402052594.db2.gz PCUDKRWZXQFNDP-SJORKVTESA-N 2 1 314.433 2.275 40 0 DEABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1scnc1C)CC2 ZINC000096207701 402069485 /nfs/dbraw/zinc/06/94/85/402069485.db2.gz MXNGEHPSBUSTCQ-AWEZNQCLSA-N 2 1 309.479 2.384 40 0 DEABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1scnc1C)CC2 ZINC000096207700 402069809 /nfs/dbraw/zinc/06/98/09/402069809.db2.gz MXNGEHPSBUSTCQ-CQSZACIVSA-N 2 1 309.479 2.384 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415761 185170937 /nfs/dbraw/zinc/17/09/37/185170937.db2.gz HKERXCLCSMZTLD-ROUUACIJSA-N 2 1 317.477 2.340 40 0 DEABMP Cc1nonc1CNc1cccc(C[C@@H]2CCC[NH2+]CC2)[nH+]1 ZINC000072365451 191134706 /nfs/dbraw/zinc/13/47/06/191134706.db2.gz JWKGOIZPAJQLHZ-CYBMUJFWSA-N 2 1 301.394 2.317 40 0 DEABMP CN(C)CC[N@H+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000072394682 191149501 /nfs/dbraw/zinc/14/95/01/191149501.db2.gz QKPNLIFNAKAXGC-UHFFFAOYSA-N 2 1 315.465 2.023 40 0 DEABMP CN(C)CC[N@@H+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000072394682 191149504 /nfs/dbraw/zinc/14/95/04/191149504.db2.gz QKPNLIFNAKAXGC-UHFFFAOYSA-N 2 1 315.465 2.023 40 0 DEABMP CC[NH+](CC)CC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21 ZINC000585112441 357335219 /nfs/dbraw/zinc/33/52/19/357335219.db2.gz QSGLAAXLYASMLQ-GOSISDBHSA-N 2 1 320.481 2.398 40 0 DEABMP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257322875 203047124 /nfs/dbraw/zinc/04/71/24/203047124.db2.gz WHUCOSHFRLMHSX-QGZVFWFLSA-N 2 1 304.438 2.102 40 0 DEABMP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000257322875 203047127 /nfs/dbraw/zinc/04/71/27/203047127.db2.gz WHUCOSHFRLMHSX-QGZVFWFLSA-N 2 1 304.438 2.102 40 0 DEABMP C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](Cc2ccncc2)C3)C1 ZINC000019588694 182132512 /nfs/dbraw/zinc/13/25/12/182132512.db2.gz QAWKRTQTDNDLOD-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[N@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](Cc2ccncc2)C3)C1 ZINC000019588694 182132513 /nfs/dbraw/zinc/13/25/13/182132513.db2.gz QAWKRTQTDNDLOD-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2ccncc2)C3)C1 ZINC000019588694 182132514 /nfs/dbraw/zinc/13/25/14/182132514.db2.gz QAWKRTQTDNDLOD-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2ccncc2)C3)C1 ZINC000019588694 182132515 /nfs/dbraw/zinc/13/25/15/182132515.db2.gz QAWKRTQTDNDLOD-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP CCN1CCC[N@@H+](CC)CCN(CC)CCC[NH+](CC)CC1 ZINC000038428364 401922940 /nfs/dbraw/zinc/92/29/40/401922940.db2.gz SUFAWONXXWKZQG-UHFFFAOYSA-N 2 1 312.546 2.068 40 0 DEABMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@@H]4CCOC4)C3)CC2)nc1 ZINC000096157568 402063363 /nfs/dbraw/zinc/06/33/63/402063363.db2.gz BLTGDXNEUWMVHW-QGZVFWFLSA-N 2 1 301.434 2.158 40 0 DEABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000096052274 282135833 /nfs/dbraw/zinc/13/58/33/282135833.db2.gz YUIPJUFKZGTYBD-GDBMZVCRSA-N 2 1 310.463 2.060 40 0 DEABMP [NH3+]CC(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415324 185170464 /nfs/dbraw/zinc/17/04/64/185170464.db2.gz VHONRWKVLKYBPO-IRXDYDNUSA-N 2 1 301.434 2.037 40 0 DEABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404508 185169433 /nfs/dbraw/zinc/16/94/33/185169433.db2.gz VHTNRLHRFKFGFR-DOTOQJQBSA-N 2 1 303.450 2.235 40 0 DEABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096057453 402053336 /nfs/dbraw/zinc/05/33/36/402053336.db2.gz FJCKEDGBPJKYGA-SQNIBIBYSA-N 2 1 322.424 2.136 40 0 DEABMP c1cc(C[NH+]2C[C@@H]3C[N@H+](C[C@@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000096081434 402057761 /nfs/dbraw/zinc/05/77/61/402057761.db2.gz ZKXRGQZQRGZTND-SQNIBIBYSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[NH+]2C[C@@H]3C[N@@H+](C[C@@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000096081434 402057763 /nfs/dbraw/zinc/05/77/63/402057763.db2.gz ZKXRGQZQRGZTND-SQNIBIBYSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[N@@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000096081434 402057764 /nfs/dbraw/zinc/05/77/64/402057764.db2.gz ZKXRGQZQRGZTND-SQNIBIBYSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[N@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000096081434 402057766 /nfs/dbraw/zinc/05/77/66/402057766.db2.gz ZKXRGQZQRGZTND-SQNIBIBYSA-N 2 1 301.434 2.014 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000107795330 402240788 /nfs/dbraw/zinc/24/07/88/402240788.db2.gz LHKOVAGIXXAADK-ZWKOTPCHSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000107795330 402240791 /nfs/dbraw/zinc/24/07/91/402240791.db2.gz LHKOVAGIXXAADK-ZWKOTPCHSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000107795330 402240794 /nfs/dbraw/zinc/24/07/94/402240794.db2.gz LHKOVAGIXXAADK-ZWKOTPCHSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000107795330 402240796 /nfs/dbraw/zinc/24/07/96/402240796.db2.gz LHKOVAGIXXAADK-ZWKOTPCHSA-N 2 1 322.449 2.227 40 0 DEABMP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333591658 403787360 /nfs/dbraw/zinc/78/73/60/403787360.db2.gz PEJDPLPNHQCXEU-XJNFMUPTSA-N 2 1 322.497 2.209 40 0 DEABMP Cc1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019712169 354045294 /nfs/dbraw/zinc/04/52/94/354045294.db2.gz OCFBRCQMQMFULY-JKSUJKDBSA-N 2 1 304.438 2.057 40 0 DEABMP Cc1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019712169 354045297 /nfs/dbraw/zinc/04/52/97/354045297.db2.gz OCFBRCQMQMFULY-JKSUJKDBSA-N 2 1 304.438 2.057 40 0 DEABMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@H]4CCOC4)C3)CC2)nc1 ZINC000096157569 402063391 /nfs/dbraw/zinc/06/33/91/402063391.db2.gz BLTGDXNEUWMVHW-KRWDZBQOSA-N 2 1 301.434 2.158 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415484 279239703 /nfs/dbraw/zinc/23/97/03/279239703.db2.gz BVQBINCPPIXRPX-RDJZCZTQSA-N 2 1 303.450 2.094 40 0 DEABMP [NH3+]CC(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415321 303367145 /nfs/dbraw/zinc/36/71/45/303367145.db2.gz VHONRWKVLKYBPO-DLBZAZTESA-N 2 1 301.434 2.037 40 0 DEABMP Cc1cc(N2CC[NH+](CC3CC3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697994 401822987 /nfs/dbraw/zinc/82/29/87/401822987.db2.gz IWVZEMCDOVUVBP-KRWDZBQOSA-N 3 1 300.450 2.347 40 0 DEABMP COC[C@H]1C[N@@H+](CC(C)C)CC12CC[NH+](C1CCOCC1)CC2 ZINC000248218019 402585320 /nfs/dbraw/zinc/58/53/20/402585320.db2.gz HBWBPFSPHCTVHE-QGZVFWFLSA-N 2 1 324.509 2.482 40 0 DEABMP c1coc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595512 402669714 /nfs/dbraw/zinc/66/97/14/402669714.db2.gz FKQGPLZKGBJISZ-ROUUACIJSA-N 2 1 320.433 2.125 40 0 DEABMP c1coc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595512 402669717 /nfs/dbraw/zinc/66/97/17/402669717.db2.gz FKQGPLZKGBJISZ-ROUUACIJSA-N 2 1 320.433 2.125 40 0 DEABMP CC[NH+](CC)CC[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000248264986 276101817 /nfs/dbraw/zinc/10/18/17/276101817.db2.gz SDYGDNCERLLGIV-QGZVFWFLSA-N 2 1 306.454 2.151 40 0 DEABMP CC[NH+](CC)CC[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000248264986 276101818 /nfs/dbraw/zinc/10/18/18/276101818.db2.gz SDYGDNCERLLGIV-QGZVFWFLSA-N 2 1 306.454 2.151 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415711 280272105 /nfs/dbraw/zinc/27/21/05/280272105.db2.gz MMWQYVUUWKXYLN-SJORKVTESA-N 2 1 303.450 2.093 40 0 DEABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079428781 185171235 /nfs/dbraw/zinc/17/12/35/185171235.db2.gz ZVJSZWLJMWYCSU-KRWDZBQOSA-N 2 1 303.450 2.094 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079394292 185168847 /nfs/dbraw/zinc/16/88/47/185168847.db2.gz NMPUBZIIOZLDBX-IRXDYDNUSA-N 2 1 303.450 2.093 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404684 185169559 /nfs/dbraw/zinc/16/95/59/185169559.db2.gz JJBBCQQKPUMVNM-MSOLQXFVSA-N 2 1 317.477 2.481 40 0 DEABMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585285422 357344502 /nfs/dbraw/zinc/34/45/02/357344502.db2.gz CMHVRLQBCJSWQR-FSPWUOQZSA-N 2 1 322.424 2.028 40 0 DEABMP COc1ccccc1N1CC[NH+](C2[C@@H]3CCC[C@H]2C[NH2+]C3)CC1 ZINC000019571188 134533137 /nfs/dbraw/zinc/53/31/37/134533137.db2.gz OAYJLHBRRPRCAE-MCPYQZEQSA-N 2 1 315.461 2.205 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccsc1 ZINC000096082429 402057589 /nfs/dbraw/zinc/05/75/89/402057589.db2.gz RZOATZVKNZAFGE-GVDBMIGSSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccsc1 ZINC000096082429 402057592 /nfs/dbraw/zinc/05/75/92/402057592.db2.gz RZOATZVKNZAFGE-GVDBMIGSSA-N 2 1 324.490 2.306 40 0 DEABMP CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](C[NH+](C)C)N2c2nccs2)C1 ZINC000096185582 402065806 /nfs/dbraw/zinc/06/58/06/402065806.db2.gz ZXYXDPSFCBJEQV-ILXRZTDVSA-N 2 1 308.495 2.384 40 0 DEABMP c1cnc2[nH]c([C@@H]3CCC[NH2+]C3)c(C[N@H+]3CCCOCC3)c2c1 ZINC000072394711 191149022 /nfs/dbraw/zinc/14/90/22/191149022.db2.gz OKGWSCQWALAILB-CQSZACIVSA-N 2 1 314.433 2.252 40 0 DEABMP Cc1[nH+]ccn1CCC(=O)N1CCC([C@H]2CCCC[N@H+]2C)CC1 ZINC000019746558 182142089 /nfs/dbraw/zinc/14/20/89/182142089.db2.gz OZUOXNDRZQLKCY-QGZVFWFLSA-N 2 1 318.465 2.305 40 0 DEABMP Cc1[nH+]ccn1CCC(=O)N1CCC([C@H]2CCCC[N@@H+]2C)CC1 ZINC000019746558 182142090 /nfs/dbraw/zinc/14/20/90/182142090.db2.gz OZUOXNDRZQLKCY-QGZVFWFLSA-N 2 1 318.465 2.305 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C)CO3)C2)s1 ZINC000107738579 402239667 /nfs/dbraw/zinc/23/96/67/402239667.db2.gz FOPSIGWHEHBWMQ-DOTOQJQBSA-N 2 1 324.490 2.226 40 0 DEABMP CC(C)[N@H+]1CCOC[C@]2(CC[C@@H](C[NH2+]Cc3cccs3)O2)C1 ZINC000306125176 529045969 /nfs/dbraw/zinc/04/59/69/529045969.db2.gz CIIKADJYZREJIQ-RDJZCZTQSA-N 2 1 324.490 2.496 40 0 DEABMP CCN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079390960 185168247 /nfs/dbraw/zinc/16/82/47/185168247.db2.gz TYJQFPFOIKILQL-ROUUACIJSA-N 2 1 317.477 2.483 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404656 185169536 /nfs/dbraw/zinc/16/95/36/185169536.db2.gz WYAPIJUGIDSORX-SJORKVTESA-N 2 1 303.450 2.093 40 0 DEABMP CC(=O)N[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019713078 354045361 /nfs/dbraw/zinc/04/53/61/354045361.db2.gz RXKQNWNQPHFAER-RBUKOAKNSA-N 2 1 315.461 2.110 40 0 DEABMP CC(=O)N[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019713078 354045363 /nfs/dbraw/zinc/04/53/63/354045363.db2.gz RXKQNWNQPHFAER-RBUKOAKNSA-N 2 1 315.461 2.110 40 0 DEABMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC000096054164 402053080 /nfs/dbraw/zinc/05/30/80/402053080.db2.gz FJSUMNURZFUYIE-CVEARBPZSA-N 2 1 316.474 2.436 40 0 DEABMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC000096054164 402053082 /nfs/dbraw/zinc/05/30/82/402053082.db2.gz FJSUMNURZFUYIE-CVEARBPZSA-N 2 1 316.474 2.436 40 0 DEABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC000096054164 402053084 /nfs/dbraw/zinc/05/30/84/402053084.db2.gz FJSUMNURZFUYIE-CVEARBPZSA-N 2 1 316.474 2.436 40 0 DEABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC000096054164 402053087 /nfs/dbraw/zinc/05/30/87/402053087.db2.gz FJSUMNURZFUYIE-CVEARBPZSA-N 2 1 316.474 2.436 40 0 DEABMP COc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2 ZINC000096207942 402069460 /nfs/dbraw/zinc/06/94/60/402069460.db2.gz UTOFNHYDBQAOJS-SJLPKXTDSA-N 2 1 304.434 2.380 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415733 185170967 /nfs/dbraw/zinc/17/09/67/185170967.db2.gz NOLKJRMZGDVJCJ-IRXDYDNUSA-N 2 1 303.450 2.093 40 0 DEABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000585104266 357334525 /nfs/dbraw/zinc/33/45/25/357334525.db2.gz XMJNOBAXNWBCOL-KRWDZBQOSA-N 2 1 322.493 2.236 40 0 DEABMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585287265 357344355 /nfs/dbraw/zinc/34/43/55/357344355.db2.gz WEFZIGIINPJISZ-ATZDWAIDSA-N 2 1 318.461 2.279 40 0 DEABMP Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C)CC3)[C@H]2O)c1 ZINC000585288669 357344925 /nfs/dbraw/zinc/34/49/25/357344925.db2.gz HCINABUXQXMRDD-IPMKNSEASA-N 2 1 318.461 2.340 40 0 DEABMP COc1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1 ZINC000019287976 182112746 /nfs/dbraw/zinc/11/27/46/182112746.db2.gz RKVKJWNONBECRC-UHFFFAOYSA-N 2 1 315.417 2.227 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C)CO3)C2)s1 ZINC000096051936 402051952 /nfs/dbraw/zinc/05/19/52/402051952.db2.gz FOPSIGWHEHBWMQ-NVXWUHKLSA-N 2 1 324.490 2.226 40 0 DEABMP COCc1cc(C[C@@H]2C[C@H]([NH2+]C3CC[NH+](C)CC3)C2(C)C)no1 ZINC000067889878 402177457 /nfs/dbraw/zinc/17/74/57/402177457.db2.gz OUEWXYPQCVWYGO-DYVFJYSZSA-N 2 1 321.465 2.462 40 0 biogenic,in-vitro DEABMP CC[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079415834 185170877 /nfs/dbraw/zinc/17/08/77/185170877.db2.gz SMNQMGFPLSTUTL-SFHVURJKSA-N 2 1 317.477 2.483 40 0 DEABMP Cc1cc2nccc(C3CC[NH+](C4CC[NH+](C)CC4)CC3)n2n1 ZINC000257341726 203064274 /nfs/dbraw/zinc/06/42/74/203064274.db2.gz ZLSGFKHHACLFFN-UHFFFAOYSA-N 2 1 313.449 2.311 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391081 401872562 /nfs/dbraw/zinc/87/25/62/401872562.db2.gz MOVWGAXHOOSYJW-MSOLQXFVSA-N 2 1 315.461 2.235 40 0 DEABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)CC1 ZINC000049169505 402013135 /nfs/dbraw/zinc/01/31/35/402013135.db2.gz YEBDUDGOHHWOQB-LBPRGKRZSA-N 2 1 302.378 2.213 40 0 biogenic,in-vitro DEABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)CC1 ZINC000049169505 402013139 /nfs/dbraw/zinc/01/31/39/402013139.db2.gz YEBDUDGOHHWOQB-LBPRGKRZSA-N 2 1 302.378 2.213 40 0 biogenic,in-vitro DEABMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)c1 ZINC000096055169 402052966 /nfs/dbraw/zinc/05/29/66/402052966.db2.gz QJSLJHZIADAUNC-QZTJIDSGSA-N 2 1 301.434 2.014 40 0 DEABMP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CC4)CC[C@@H]3C2)c1 ZINC000096055169 402052969 /nfs/dbraw/zinc/05/29/69/402052969.db2.gz QJSLJHZIADAUNC-QZTJIDSGSA-N 2 1 301.434 2.014 40 0 DEABMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CC4)CC[C@@H]3C2)c1 ZINC000096055169 402052970 /nfs/dbraw/zinc/05/29/70/402052970.db2.gz QJSLJHZIADAUNC-QZTJIDSGSA-N 2 1 301.434 2.014 40 0 DEABMP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096220639 402071707 /nfs/dbraw/zinc/07/17/07/402071707.db2.gz GMDDLPOGNOPVNQ-FUHWJXTLSA-N 2 1 304.434 2.095 40 0 DEABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096220639 402071711 /nfs/dbraw/zinc/07/17/11/402071711.db2.gz GMDDLPOGNOPVNQ-FUHWJXTLSA-N 2 1 304.434 2.095 40 0 DEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1OC)C2 ZINC000096220639 402071715 /nfs/dbraw/zinc/07/17/15/402071715.db2.gz GMDDLPOGNOPVNQ-FUHWJXTLSA-N 2 1 304.434 2.095 40 0 DEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1OC)C2 ZINC000096220639 402071716 /nfs/dbraw/zinc/07/17/16/402071716.db2.gz GMDDLPOGNOPVNQ-FUHWJXTLSA-N 2 1 304.434 2.095 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)s1 ZINC000107739489 402240165 /nfs/dbraw/zinc/24/01/65/402240165.db2.gz NHHCRIJOALYMQZ-DOTOQJQBSA-N 2 1 324.490 2.368 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079394299 185168749 /nfs/dbraw/zinc/16/87/49/185168749.db2.gz BZTXXBHXYHGLPN-ROUUACIJSA-N 2 1 317.477 2.340 40 0 DEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000585104306 357334069 /nfs/dbraw/zinc/33/40/69/357334069.db2.gz YLJGXTCIUMGNOP-QGZVFWFLSA-N 2 1 322.449 2.086 40 0 DEABMP Cc1cccc2c1nc1n2[C@@H](C[NH2+]C2CC[NH+](C)CC2)COC1 ZINC000096112644 402060401 /nfs/dbraw/zinc/06/04/01/402060401.db2.gz MMSAGORQFYNODB-HNNXBMFYSA-N 2 1 314.433 2.100 40 0 biogenic,in-vitro DEABMP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000096051975 402052079 /nfs/dbraw/zinc/05/20/79/402052079.db2.gz OPFLPMXLWRRBAW-WMZOPIPTSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000096051975 402052080 /nfs/dbraw/zinc/05/20/80/402052080.db2.gz OPFLPMXLWRRBAW-WMZOPIPTSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051975 402052084 /nfs/dbraw/zinc/05/20/84/402052084.db2.gz OPFLPMXLWRRBAW-WMZOPIPTSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051975 402052086 /nfs/dbraw/zinc/05/20/86/402052086.db2.gz OPFLPMXLWRRBAW-WMZOPIPTSA-N 2 1 322.449 2.227 40 0 DEABMP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257322874 203048334 /nfs/dbraw/zinc/04/83/34/203048334.db2.gz WHUCOSHFRLMHSX-KRWDZBQOSA-N 2 1 304.438 2.102 40 0 DEABMP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000257322874 203048337 /nfs/dbraw/zinc/04/83/37/203048337.db2.gz WHUCOSHFRLMHSX-KRWDZBQOSA-N 2 1 304.438 2.102 40 0 DEABMP Cc1[nH+]ccn1C[C@H](C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000019287763 182112365 /nfs/dbraw/zinc/11/23/65/182112365.db2.gz MLKYBVPMBBEFIK-AWEZNQCLSA-N 2 1 306.454 2.208 40 0 DEABMP Cc1[nH+]ccn1C[C@H](C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000019287763 182112366 /nfs/dbraw/zinc/11/23/66/182112366.db2.gz MLKYBVPMBBEFIK-AWEZNQCLSA-N 2 1 306.454 2.208 40 0 DEABMP COCC[NH+]1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096071789 402056257 /nfs/dbraw/zinc/05/62/57/402056257.db2.gz OLMSGMUHZCDRAR-UHFFFAOYSA-N 2 1 303.450 2.406 40 0 DEABMP COc1cccc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1 ZINC000096207289 402069416 /nfs/dbraw/zinc/06/94/16/402069416.db2.gz TXHXKLQHLOZNAU-SJLPKXTDSA-N 2 1 304.434 2.380 40 0 DEABMP C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC000096216602 402070211 /nfs/dbraw/zinc/07/02/11/402070211.db2.gz VQIFAGNKWSMTDW-MJGOQNOKSA-N 2 1 315.461 2.262 40 0 DEABMP C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC000096216602 402070214 /nfs/dbraw/zinc/07/02/14/402070214.db2.gz VQIFAGNKWSMTDW-MJGOQNOKSA-N 2 1 315.461 2.262 40 0 DEABMP C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC000096216602 402070217 /nfs/dbraw/zinc/07/02/17/402070217.db2.gz VQIFAGNKWSMTDW-MJGOQNOKSA-N 2 1 315.461 2.262 40 0 DEABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096240297 402074286 /nfs/dbraw/zinc/07/42/86/402074286.db2.gz GNAJOKKSPVGKFX-QGZVFWFLSA-N 2 1 320.481 2.131 40 0 DEABMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197461 402227736 /nfs/dbraw/zinc/22/77/36/402227736.db2.gz WMXBXBUVRYSJLP-XGXHKWSGSA-N 2 1 315.461 2.403 40 0 DEABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197461 402227738 /nfs/dbraw/zinc/22/77/38/402227738.db2.gz WMXBXBUVRYSJLP-XGXHKWSGSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197461 402227741 /nfs/dbraw/zinc/22/77/41/402227741.db2.gz WMXBXBUVRYSJLP-XGXHKWSGSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197461 402227745 /nfs/dbraw/zinc/22/77/45/402227745.db2.gz WMXBXBUVRYSJLP-XGXHKWSGSA-N 2 1 315.461 2.403 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415489 185170232 /nfs/dbraw/zinc/17/02/32/185170232.db2.gz BVQBINCPPIXRPX-DOTOQJQBSA-N 2 1 303.450 2.094 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079415505 185170353 /nfs/dbraw/zinc/17/03/53/185170353.db2.gz TVSXZBNHJPRRAT-XIRDDKMYSA-N 2 1 303.450 2.283 40 0 DEABMP CC(C)[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079415573 185170509 /nfs/dbraw/zinc/17/05/09/185170509.db2.gz AHDZBSHKBXYYIP-INIZCTEOSA-N 2 1 317.477 2.483 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415794 185170769 /nfs/dbraw/zinc/17/07/69/185170769.db2.gz DXIGMKZFXBROMY-SJORKVTESA-N 2 1 303.450 2.093 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415748 185170893 /nfs/dbraw/zinc/17/08/93/185170893.db2.gz YONCFBHZNODWJW-MSOLQXFVSA-N 2 1 317.477 2.483 40 0 DEABMP C[N@@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183104 355698781 /nfs/dbraw/zinc/69/87/81/355698781.db2.gz QSSNFRSHMCKRHT-YRXWBPOGSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183104 355698783 /nfs/dbraw/zinc/69/87/83/355698783.db2.gz QSSNFRSHMCKRHT-YRXWBPOGSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183104 355698786 /nfs/dbraw/zinc/69/87/86/355698786.db2.gz QSSNFRSHMCKRHT-YRXWBPOGSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)CC1 ZINC000049169686 402013008 /nfs/dbraw/zinc/01/30/08/402013008.db2.gz YUFIDDRFRGXBBG-AWEZNQCLSA-N 2 1 313.405 2.015 40 0 biogenic,in-vitro DEABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)CC1 ZINC000049169686 402013010 /nfs/dbraw/zinc/01/30/10/402013010.db2.gz YUFIDDRFRGXBBG-AWEZNQCLSA-N 2 1 313.405 2.015 40 0 biogenic,in-vitro DEABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccsc3)C2)O1 ZINC000096052277 402051750 /nfs/dbraw/zinc/05/17/50/402051750.db2.gz NOVMIMVTLUHJPV-JKSUJKDBSA-N 2 1 310.463 2.060 40 0 DEABMP CC(C)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158805 402063358 /nfs/dbraw/zinc/06/33/58/402063358.db2.gz WIKQAXZJYKIEES-UHFFFAOYSA-N 2 1 303.450 2.404 40 0 DEABMP CC(C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158805 402063359 /nfs/dbraw/zinc/06/33/59/402063359.db2.gz WIKQAXZJYKIEES-UHFFFAOYSA-N 2 1 303.450 2.404 40 0 DEABMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCOC2)CC3)c1 ZINC000096157418 402063380 /nfs/dbraw/zinc/06/33/80/402063380.db2.gz WFLOOSGCKIQGIM-KRWDZBQOSA-N 2 1 301.434 2.158 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000107739540 402240179 /nfs/dbraw/zinc/24/01/79/402240179.db2.gz YXKRTJQHLWGKCE-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000107739540 402240183 /nfs/dbraw/zinc/24/01/83/402240183.db2.gz YXKRTJQHLWGKCE-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccoc3)C2)O1 ZINC000107739540 402240185 /nfs/dbraw/zinc/24/01/85/402240185.db2.gz YXKRTJQHLWGKCE-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccoc3)C2)O1 ZINC000107739540 402240188 /nfs/dbraw/zinc/24/01/88/402240188.db2.gz YXKRTJQHLWGKCE-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC[NH+](CC)CC[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000248264984 402586017 /nfs/dbraw/zinc/58/60/17/402586017.db2.gz SDYGDNCERLLGIV-KRWDZBQOSA-N 2 1 306.454 2.151 40 0 DEABMP CC[NH+](CC)CC[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000248264984 402586019 /nfs/dbraw/zinc/58/60/19/402586019.db2.gz SDYGDNCERLLGIV-KRWDZBQOSA-N 2 1 306.454 2.151 40 0 DEABMP C[C@H]([NH3+])C(=O)NC1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415682 185170976 /nfs/dbraw/zinc/17/09/76/185170976.db2.gz WWKWDFDVFDZMQR-OOHWJJMZSA-N 2 1 315.461 2.426 40 0 DEABMP c1cnc2[nH]c([C@H]3CCC[NH2+]C3)c(C[N@H+]3CCCOCC3)c2c1 ZINC000072394712 191149463 /nfs/dbraw/zinc/14/94/63/191149463.db2.gz OKGWSCQWALAILB-AWEZNQCLSA-N 2 1 314.433 2.252 40 0 DEABMP COc1ccc(CN(CC[NH3+])[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000019358906 182117766 /nfs/dbraw/zinc/11/77/66/182117766.db2.gz UAAWLEXGHZWUTA-RKVPGOIHSA-N 2 1 305.466 2.185 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1 ZINC000096055202 402052923 /nfs/dbraw/zinc/05/29/23/402052923.db2.gz TZDISLJCDSEHBM-BHYGNILZSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cccs1 ZINC000096055202 402052925 /nfs/dbraw/zinc/05/29/25/402052925.db2.gz TZDISLJCDSEHBM-BHYGNILZSA-N 2 1 324.490 2.306 40 0 DEABMP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333591659 268958119 /nfs/dbraw/zinc/95/81/19/268958119.db2.gz PEJDPLPNHQCXEU-XOSAIJSUSA-N 2 1 322.497 2.209 40 0 DEABMP C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415679 185170895 /nfs/dbraw/zinc/17/08/95/185170895.db2.gz YMIKLABWPWZWDE-HNNXBMFYSA-N 2 1 315.461 2.237 40 0 DEABMP COc1cccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)c1 ZINC000019287990 182112509 /nfs/dbraw/zinc/11/25/09/182112509.db2.gz QJNVGQGSGZSQPU-UHFFFAOYSA-N 2 1 315.417 2.227 40 0 DEABMP CC(C)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404534 185169406 /nfs/dbraw/zinc/16/94/06/185169406.db2.gz PYZNTYXCXWJKQO-WMZOPIPTSA-N 2 1 317.477 2.483 40 0 DEABMP CN(C)C[C@@H](CC1=C(C[C@H](C[NH+](C)C)N(C)C)CCC1)[NH+](C)C ZINC000019365236 182118288 /nfs/dbraw/zinc/11/82/88/182118288.db2.gz LAAYVNAGMUFKIX-RTBURBONSA-N 2 1 324.557 2.231 40 0 DEABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019523581 182128645 /nfs/dbraw/zinc/12/86/45/182128645.db2.gz UFQKDAYYYGGMRY-CVEARBPZSA-N 2 1 320.481 2.462 40 0 DEABMP CC(C)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404270 401873331 /nfs/dbraw/zinc/87/33/31/401873331.db2.gz YNOIEABWRWTEAQ-QGZVFWFLSA-N 2 1 303.450 2.237 40 0 DEABMP C[N@H+](C1CC1)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096074185 402056930 /nfs/dbraw/zinc/05/69/30/402056930.db2.gz ONZONXGNXVNSSS-AWEZNQCLSA-N 2 1 307.463 2.361 40 0 DEABMP C[N@@H+](C1CC1)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096074185 402056933 /nfs/dbraw/zinc/05/69/33/402056933.db2.gz ONZONXGNXVNSSS-AWEZNQCLSA-N 2 1 307.463 2.361 40 0 DEABMP c1coc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595513 402669612 /nfs/dbraw/zinc/66/96/12/402669612.db2.gz FKQGPLZKGBJISZ-ZWKOTPCHSA-N 2 1 320.433 2.125 40 0 DEABMP c1coc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595513 402669616 /nfs/dbraw/zinc/66/96/16/402669616.db2.gz FKQGPLZKGBJISZ-ZWKOTPCHSA-N 2 1 320.433 2.125 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079393803 185169043 /nfs/dbraw/zinc/16/90/43/185169043.db2.gz DEFNQEILKZXQAF-IRXDYDNUSA-N 2 1 303.450 2.283 40 0 DEABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404511 185169575 /nfs/dbraw/zinc/16/95/75/185169575.db2.gz VHTNRLHRFKFGFR-RDJZCZTQSA-N 2 1 303.450 2.235 40 0 DEABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000585103452 357334462 /nfs/dbraw/zinc/33/44/62/357334462.db2.gz PEGPXURIHNHILS-INIZCTEOSA-N 2 1 303.450 2.180 40 0 DEABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019523584 182128719 /nfs/dbraw/zinc/12/87/19/182128719.db2.gz UFQKDAYYYGGMRY-JKSUJKDBSA-N 2 1 320.481 2.462 40 0 DEABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](C1CCCC1)CC2 ZINC000096218986 285009109 /nfs/dbraw/zinc/00/91/09/285009109.db2.gz HLEUJLXVVQNJIY-KRWDZBQOSA-N 2 1 310.482 2.378 40 0 DEABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccsc3)C2)O1 ZINC000096052278 402051872 /nfs/dbraw/zinc/05/18/72/402051872.db2.gz NOVMIMVTLUHJPV-HZPDHXFCSA-N 2 1 310.463 2.060 40 0 DEABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000096052276 402051883 /nfs/dbraw/zinc/05/18/83/402051883.db2.gz YUIPJUFKZGTYBD-ZBFHGGJFSA-N 2 1 310.463 2.060 40 0 DEABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100177575 402139926 /nfs/dbraw/zinc/13/99/26/402139926.db2.gz WWKWDFDVFDZMQR-BHYGNILZSA-N 2 1 315.461 2.426 40 0 DEABMP C[NH+](C)Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCOCC3)C2(C)C)no1 ZINC000067889803 402177248 /nfs/dbraw/zinc/17/72/48/402177248.db2.gz QNQDKAIXKHGHCE-DYVFJYSZSA-N 2 1 321.465 2.462 40 0 biogenic,in-vitro DEABMP C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333591657 403787191 /nfs/dbraw/zinc/78/71/91/403787191.db2.gz PEJDPLPNHQCXEU-MUIFIZLQSA-N 2 1 322.497 2.209 40 0 DEABMP CC(=O)N[C@H]1C[N@H+](Cc2ccc(F)cc2)C2(C1)CC[NH+](C)CC2 ZINC000257282916 277060970 /nfs/dbraw/zinc/06/09/70/277060970.db2.gz OVWJSBZRYKDKAB-QGZVFWFLSA-N 2 1 319.424 2.001 40 0 DEABMP CC(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cc2)C2(C1)CC[NH+](C)CC2 ZINC000257282916 277060971 /nfs/dbraw/zinc/06/09/71/277060971.db2.gz OVWJSBZRYKDKAB-QGZVFWFLSA-N 2 1 319.424 2.001 40 0 DEABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415545 185170524 /nfs/dbraw/zinc/17/05/24/185170524.db2.gz LVXROEGSEFOWCH-WMZOPIPTSA-N 2 1 317.477 2.483 40 0 DEABMP C[N@@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183101 355698892 /nfs/dbraw/zinc/69/88/92/355698892.db2.gz QSSNFRSHMCKRHT-AKHDSKFASA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183101 355698894 /nfs/dbraw/zinc/69/88/94/355698894.db2.gz QSSNFRSHMCKRHT-AKHDSKFASA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183101 355698896 /nfs/dbraw/zinc/69/88/96/355698896.db2.gz QSSNFRSHMCKRHT-AKHDSKFASA-N 2 1 315.461 2.403 40 0 DEABMP COc1ccc(CN(CC[NH3+])[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000022579158 401826950 /nfs/dbraw/zinc/82/69/50/401826950.db2.gz UAAWLEXGHZWUTA-VKJFTORMSA-N 2 1 305.466 2.185 40 0 DEABMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000096161738 402064207 /nfs/dbraw/zinc/06/42/07/402064207.db2.gz VNNCZMXQRWTGPH-QRVBRYPASA-N 2 1 300.446 2.395 40 0 DEABMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000096161738 402064209 /nfs/dbraw/zinc/06/42/09/402064209.db2.gz VNNCZMXQRWTGPH-QRVBRYPASA-N 2 1 300.446 2.395 40 0 DEABMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000096161738 402064210 /nfs/dbraw/zinc/06/42/10/402064210.db2.gz VNNCZMXQRWTGPH-QRVBRYPASA-N 2 1 300.446 2.395 40 0 DEABMP CC(C)[N@@H+](C)Cc1cncc2c1CC[NH+](C1CCOCC1)C2 ZINC000096189470 402066776 /nfs/dbraw/zinc/06/67/76/402066776.db2.gz FRFANMLMYYVUFI-UHFFFAOYSA-N 2 1 303.450 2.459 40 0 DEABMP CC(C)[NH+](C)Cc1cncc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000096189470 402066777 /nfs/dbraw/zinc/06/67/77/402066777.db2.gz FRFANMLMYYVUFI-UHFFFAOYSA-N 2 1 303.450 2.459 40 0 DEABMP CC(C)[NH+](C)Cc1cncc2c1CC[N@H+](C1CCOCC1)C2 ZINC000096189470 402066778 /nfs/dbraw/zinc/06/67/78/402066778.db2.gz FRFANMLMYYVUFI-UHFFFAOYSA-N 2 1 303.450 2.459 40 0 DEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000247814743 402576227 /nfs/dbraw/zinc/57/62/27/402576227.db2.gz APSFFDABSNAPNU-INIZCTEOSA-N 2 1 322.449 2.086 40 0 DEABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079428778 185171207 /nfs/dbraw/zinc/17/12/07/185171207.db2.gz ZVJSZWLJMWYCSU-QGZVFWFLSA-N 2 1 303.450 2.094 40 0 DEABMP CC[NH+](CC)CC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21 ZINC000585112444 357335083 /nfs/dbraw/zinc/33/50/83/357335083.db2.gz QSGLAAXLYASMLQ-SFHVURJKSA-N 2 1 320.481 2.398 40 0 DEABMP CC[NH+]1CCC(N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)CC1 ZINC000257328581 203050566 /nfs/dbraw/zinc/05/05/66/203050566.db2.gz XGHQRDUANOXINC-GOSISDBHSA-N 2 1 317.477 2.468 40 0 DEABMP CC[NH+]1CCC(N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)CC1 ZINC000257328581 203050570 /nfs/dbraw/zinc/05/05/70/203050570.db2.gz XGHQRDUANOXINC-GOSISDBHSA-N 2 1 317.477 2.468 40 0 DEABMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](C[NH+](C)C)OC[C@@H]3C2)cc1 ZINC000096057583 402053720 /nfs/dbraw/zinc/05/37/20/402053720.db2.gz JYLHMDMDEUISAD-SZMVWBNQSA-N 2 1 304.434 2.094 40 0 DEABMP CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404481 185169674 /nfs/dbraw/zinc/16/96/74/185169674.db2.gz OQAPIUONOOXKQG-RDJZCZTQSA-N 2 1 303.450 2.094 40 0 DEABMP COc1c2c(c([C@](C)([NH3+])C(C)C)c3c1C[N@@H+](C)CC3)OCO2 ZINC000242648387 257119916 /nfs/dbraw/zinc/11/99/16/257119916.db2.gz QVZVSMNKZXNHGC-QGZVFWFLSA-N 2 1 306.406 2.242 40 0 DEABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccsc3)C2)O1 ZINC000096052280 402051458 /nfs/dbraw/zinc/05/14/58/402051458.db2.gz NOVMIMVTLUHJPV-CVEARBPZSA-N 2 1 310.463 2.060 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000107739522 402240199 /nfs/dbraw/zinc/24/01/99/402240199.db2.gz ZMLABWUUYFWIMN-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000107739522 402240202 /nfs/dbraw/zinc/24/02/02/402240202.db2.gz ZMLABWUUYFWIMN-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000107739522 402240206 /nfs/dbraw/zinc/24/02/06/402240206.db2.gz ZMLABWUUYFWIMN-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000107739522 402240209 /nfs/dbraw/zinc/24/02/09/402240209.db2.gz ZMLABWUUYFWIMN-ROUUACIJSA-N 2 1 322.449 2.370 40 0 DEABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019523582 276697593 /nfs/dbraw/zinc/69/75/93/276697593.db2.gz UFQKDAYYYGGMRY-HOTGVXAUSA-N 2 1 320.481 2.462 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079415477 279239737 /nfs/dbraw/zinc/23/97/37/279239737.db2.gz PSCBSRNHNTXOPI-RDJZCZTQSA-N 2 1 303.450 2.237 40 0 DEABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404580 185169640 /nfs/dbraw/zinc/16/96/40/185169640.db2.gz MLCZKCATIVVTFZ-YJBOKZPZSA-N 2 1 315.461 2.379 40 0 DEABMP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](CC1CC1)CCC2 ZINC000096055919 402052638 /nfs/dbraw/zinc/05/26/38/402052638.db2.gz WOUMJWAEUKKBLZ-WMZOPIPTSA-N 2 1 308.466 2.382 40 0 DEABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096055919 402052641 /nfs/dbraw/zinc/05/26/41/402052641.db2.gz WOUMJWAEUKKBLZ-WMZOPIPTSA-N 2 1 308.466 2.382 40 0 DEABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096055919 402052643 /nfs/dbraw/zinc/05/26/43/402052643.db2.gz WOUMJWAEUKKBLZ-WMZOPIPTSA-N 2 1 308.466 2.382 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096186065 402065740 /nfs/dbraw/zinc/06/57/40/402065740.db2.gz VOKNWVZBSJUXOH-ULQDDVLXSA-N 2 1 324.490 2.448 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415801 185170888 /nfs/dbraw/zinc/17/08/88/185170888.db2.gz DXIGMKZFXBROMY-IRXDYDNUSA-N 2 1 303.450 2.093 40 0 DEABMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289667 357345204 /nfs/dbraw/zinc/34/52/04/357345204.db2.gz LTNZICNZJUXHLO-RCCFBDPRSA-N 2 1 324.440 2.370 40 0 DEABMP C[N@H+]1CCC[C@H](NC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257314102 203039263 /nfs/dbraw/zinc/03/92/63/203039263.db2.gz UVHQRSLCSIVENV-INIZCTEOSA-N 2 1 324.428 2.031 40 0 DEABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019287746 401822262 /nfs/dbraw/zinc/82/22/62/401822262.db2.gz ZFUQJLBEIJNEON-HUUCEWRRSA-N 2 1 306.454 2.208 40 0 DEABMP CC(C)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404495 401873123 /nfs/dbraw/zinc/87/31/23/401873123.db2.gz KIXPNYBZEYDUPB-RDJZCZTQSA-N 2 1 303.450 2.235 40 0 DEABMP Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)o1 ZINC000107747107 402240069 /nfs/dbraw/zinc/24/00/69/402240069.db2.gz AUVLPZCVMAQXIR-CGTJXYLNSA-N 2 1 322.449 2.146 40 0 DEABMP Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)o1 ZINC000107747107 402240071 /nfs/dbraw/zinc/24/00/71/402240071.db2.gz AUVLPZCVMAQXIR-CGTJXYLNSA-N 2 1 322.449 2.146 40 0 DEABMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785349 181151853 /nfs/dbraw/zinc/15/18/53/181151853.db2.gz YPTJQGIRFIIISJ-IIDMSEBBSA-N 2 1 306.450 2.266 40 0 DEABMP COc1ccc([C@H]2CN(C3CC[NH+](C)CC3)CC[N@@H+]2C)cc1 ZINC000257287150 203013175 /nfs/dbraw/zinc/01/31/75/203013175.db2.gz POSXUUYXRCFIHE-GOSISDBHSA-N 2 1 303.450 2.078 40 0 DEABMP COc1ccc([C@H]2CN(C3CC[NH+](C)CC3)CC[N@H+]2C)cc1 ZINC000257287150 203013177 /nfs/dbraw/zinc/01/31/77/203013177.db2.gz POSXUUYXRCFIHE-GOSISDBHSA-N 2 1 303.450 2.078 40 0 DEABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000019287764 182112488 /nfs/dbraw/zinc/11/24/88/182112488.db2.gz MLKYBVPMBBEFIK-CQSZACIVSA-N 2 1 306.454 2.208 40 0 DEABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000019287764 182112490 /nfs/dbraw/zinc/11/24/90/182112490.db2.gz MLKYBVPMBBEFIK-CQSZACIVSA-N 2 1 306.454 2.208 40 0 DEABMP COc1ccc(C[N@H+]2CCOC[C@@H](CC[NH+](C)C)[C@@H]2C)cc1 ZINC000306125961 533563538 /nfs/dbraw/zinc/56/35/38/533563538.db2.gz DHGGOCVWPNVOBS-DOTOQJQBSA-N 2 1 306.450 2.484 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096078530 402057254 /nfs/dbraw/zinc/05/72/54/402057254.db2.gz LHKOVAGIXXAADK-ROUUACIJSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096078530 402057256 /nfs/dbraw/zinc/05/72/56/402057256.db2.gz LHKOVAGIXXAADK-ROUUACIJSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096078530 402057257 /nfs/dbraw/zinc/05/72/57/402057257.db2.gz LHKOVAGIXXAADK-ROUUACIJSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096078530 402057259 /nfs/dbraw/zinc/05/72/59/402057259.db2.gz LHKOVAGIXXAADK-ROUUACIJSA-N 2 1 322.449 2.227 40 0 DEABMP c1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)co1 ZINC000096196851 402067256 /nfs/dbraw/zinc/06/72/56/402067256.db2.gz NSOCFZJBVMNEDE-UHFFFAOYSA-N 2 1 300.406 2.130 40 0 DEABMP c1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)co1 ZINC000096196851 402067259 /nfs/dbraw/zinc/06/72/59/402067259.db2.gz NSOCFZJBVMNEDE-UHFFFAOYSA-N 2 1 300.406 2.130 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1 ZINC000248024682 402580508 /nfs/dbraw/zinc/58/05/08/402580508.db2.gz RZOATZVKNZAFGE-ULQDDVLXSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccsc1 ZINC000248024682 402580510 /nfs/dbraw/zinc/58/05/10/402580510.db2.gz RZOATZVKNZAFGE-ULQDDVLXSA-N 2 1 324.490 2.306 40 0 DEABMP CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404473 276138695 /nfs/dbraw/zinc/13/86/95/276138695.db2.gz GICXNEJWZRLKES-DOTOQJQBSA-N 2 1 303.450 2.237 40 0 DEABMP CC(C)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404271 185169243 /nfs/dbraw/zinc/16/92/43/185169243.db2.gz RPNBHAUHIRUVMU-QGZVFWFLSA-N 2 1 303.450 2.094 40 0 DEABMP CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C2(C1)CC[NH+](C)CC2 ZINC000257282915 203011031 /nfs/dbraw/zinc/01/10/31/203011031.db2.gz OVWJSBZRYKDKAB-KRWDZBQOSA-N 2 1 319.424 2.001 40 0 DEABMP CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C2(C1)CC[NH+](C)CC2 ZINC000257282915 203011033 /nfs/dbraw/zinc/01/10/33/203011033.db2.gz OVWJSBZRYKDKAB-KRWDZBQOSA-N 2 1 319.424 2.001 40 0 DEABMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)ccn1 ZINC000096055186 402052414 /nfs/dbraw/zinc/05/24/14/402052414.db2.gz KSIYJAMICDLLAW-QZTJIDSGSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CC4)CC[C@@H]3C2)ccn1 ZINC000096055186 402052415 /nfs/dbraw/zinc/05/24/15/402052415.db2.gz KSIYJAMICDLLAW-QZTJIDSGSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CC4)CC[C@@H]3C2)ccn1 ZINC000096055186 402052416 /nfs/dbraw/zinc/05/24/16/402052416.db2.gz KSIYJAMICDLLAW-QZTJIDSGSA-N 2 1 301.434 2.014 40 0 DEABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cccnc1OC)CC2 ZINC000096209119 402070515 /nfs/dbraw/zinc/07/05/15/402070515.db2.gz VFWUDHGASHVOPO-INIZCTEOSA-N 2 1 319.449 2.023 40 0 DEABMP CC[NH+](CC)Cc1cnc2n1CC[N@H+](Cc1ccoc1)CC2 ZINC000096196823 402067512 /nfs/dbraw/zinc/06/75/12/402067512.db2.gz XJUGAOUYUOZZIG-UHFFFAOYSA-N 2 1 302.422 2.376 40 0 DEABMP Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)o1 ZINC000107747110 402240026 /nfs/dbraw/zinc/24/00/26/402240026.db2.gz AUVLPZCVMAQXIR-KBAYOESNSA-N 2 1 322.449 2.146 40 0 DEABMP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)o1 ZINC000107747110 402240029 /nfs/dbraw/zinc/24/00/29/402240029.db2.gz AUVLPZCVMAQXIR-KBAYOESNSA-N 2 1 322.449 2.146 40 0 DEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000247814746 402576423 /nfs/dbraw/zinc/57/64/23/402576423.db2.gz APSFFDABSNAPNU-MRXNPFEDSA-N 2 1 322.449 2.086 40 0 DEABMP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000074920936 191388014 /nfs/dbraw/zinc/38/80/14/191388014.db2.gz OOKKPPMJMJQZOB-UHFFFAOYSA-N 2 1 315.461 2.063 40 0 DEABMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)s1 ZINC000096056475 402053000 /nfs/dbraw/zinc/05/30/00/402053000.db2.gz VMTKIQPRBKXOJL-HZPDHXFCSA-N 2 1 321.490 2.183 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000249696760 528831507 /nfs/dbraw/zinc/83/15/07/528831507.db2.gz TVSXZBNHJPRRAT-UAGQMJEPSA-N 2 1 303.450 2.283 40 0 DEABMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585289231 357345015 /nfs/dbraw/zinc/34/50/15/357345015.db2.gz OGQIKCXUVNYKFR-RCCFBDPRSA-N 2 1 304.434 2.031 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391078 401872291 /nfs/dbraw/zinc/87/22/91/401872291.db2.gz MOVWGAXHOOSYJW-ROUUACIJSA-N 2 1 315.461 2.235 40 0 DEABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc(F)cc3)C2)O1 ZINC000096052285 402051831 /nfs/dbraw/zinc/05/18/31/402051831.db2.gz RQVPTTITIYOFHS-ZWKOTPCHSA-N 2 1 322.424 2.137 40 0 DEABMP Cc1ccc(C[N@@H+]2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)s1 ZINC000096057452 402053176 /nfs/dbraw/zinc/05/31/76/402053176.db2.gz AHHGRQIYKYUQRY-IKGGRYGDSA-N 2 1 324.490 2.367 40 0 DEABMP CCc1ccc(C[N@@H+]2CCc3ncc(C[NH+](C)C)n3CC2)o1 ZINC000096196779 402067329 /nfs/dbraw/zinc/06/73/29/402067329.db2.gz OPKPRXGYPVHTBE-UHFFFAOYSA-N 2 1 302.422 2.158 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000100177583 402140045 /nfs/dbraw/zinc/14/00/45/402140045.db2.gz LWWLRYYGOOHGPF-BHYGNILZSA-N 2 1 303.450 2.283 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1 ZINC000248024679 402580845 /nfs/dbraw/zinc/58/08/45/402580845.db2.gz RZOATZVKNZAFGE-BBWFWOEESA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccsc1 ZINC000248024679 402580846 /nfs/dbraw/zinc/58/08/46/402580846.db2.gz RZOATZVKNZAFGE-BBWFWOEESA-N 2 1 324.490 2.306 40 0 DEABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079390955 185168240 /nfs/dbraw/zinc/16/82/40/185168240.db2.gz MSNTYAIUUBUPOR-SJORKVTESA-N 2 1 303.450 2.093 40 0 DEABMP CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404478 185169520 /nfs/dbraw/zinc/16/95/20/185169520.db2.gz OQAPIUONOOXKQG-DOTOQJQBSA-N 2 1 303.450 2.094 40 0 DEABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404585 185169532 /nfs/dbraw/zinc/16/95/32/185169532.db2.gz YFZYTIWAWVVOQN-DOTOQJQBSA-N 2 1 315.461 2.237 40 0 DEABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000225299465 539729863 /nfs/dbraw/zinc/72/98/63/539729863.db2.gz GOCGGQYZLKPCKH-UHFFFAOYSA-N 2 1 312.417 2.064 40 0 DEABMP COc1ccc([C@@H]2CN(C3CC[NH+](C)CC3)CC[N@@H+]2C)cc1 ZINC000257287151 203013987 /nfs/dbraw/zinc/01/39/87/203013987.db2.gz POSXUUYXRCFIHE-SFHVURJKSA-N 2 1 303.450 2.078 40 0 DEABMP COc1ccc([C@@H]2CN(C3CC[NH+](C)CC3)CC[N@H+]2C)cc1 ZINC000257287151 203013990 /nfs/dbraw/zinc/01/39/90/203013990.db2.gz POSXUUYXRCFIHE-SFHVURJKSA-N 2 1 303.450 2.078 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000096051976 402051972 /nfs/dbraw/zinc/05/19/72/402051972.db2.gz OPFLPMXLWRRBAW-AEFFLSMTSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000096051976 402051975 /nfs/dbraw/zinc/05/19/75/402051975.db2.gz OPFLPMXLWRRBAW-AEFFLSMTSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051976 402051976 /nfs/dbraw/zinc/05/19/76/402051976.db2.gz OPFLPMXLWRRBAW-AEFFLSMTSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051976 402051979 /nfs/dbraw/zinc/05/19/79/402051979.db2.gz OPFLPMXLWRRBAW-AEFFLSMTSA-N 2 1 322.449 2.227 40 0 DEABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079390957 185167940 /nfs/dbraw/zinc/16/79/40/185167940.db2.gz MSNTYAIUUBUPOR-IRXDYDNUSA-N 2 1 303.450 2.093 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079394276 185169001 /nfs/dbraw/zinc/16/90/01/185169001.db2.gz WYAPIJUGIDSORX-IRXDYDNUSA-N 2 1 303.450 2.093 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404751 185169661 /nfs/dbraw/zinc/16/96/61/185169661.db2.gz JLTDWUFLFLULCP-ROUUACIJSA-N 2 1 315.461 2.235 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101667125 355709991 /nfs/dbraw/zinc/70/99/91/355709991.db2.gz DEFNQEILKZXQAF-SJORKVTESA-N 2 1 303.450 2.283 40 0 DEABMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC000005730636 181277852 /nfs/dbraw/zinc/27/78/52/181277852.db2.gz RVSRDNZLKOKNCE-WMZOPIPTSA-N 2 1 313.445 2.225 40 0 DEABMP COC[C@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](C)CC2 ZINC000585103817 357333850 /nfs/dbraw/zinc/33/38/50/357333850.db2.gz RSLKQRQNWWOVJB-CQSZACIVSA-N 2 1 309.479 2.242 40 0 DEABMP C[N@H+](C1CC1)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096074184 402057047 /nfs/dbraw/zinc/05/70/47/402057047.db2.gz ONZONXGNXVNSSS-CQSZACIVSA-N 2 1 307.463 2.361 40 0 DEABMP C[N@@H+](C1CC1)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096074184 402057048 /nfs/dbraw/zinc/05/70/48/402057048.db2.gz ONZONXGNXVNSSS-CQSZACIVSA-N 2 1 307.463 2.361 40 0 DEABMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000096249655 402074414 /nfs/dbraw/zinc/07/44/14/402074414.db2.gz KMBPWVKZHIBCLG-IEBWSBKVSA-N 2 1 315.461 2.323 40 0 DEABMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000096249655 402074416 /nfs/dbraw/zinc/07/44/16/402074416.db2.gz KMBPWVKZHIBCLG-IEBWSBKVSA-N 2 1 315.461 2.323 40 0 DEABMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000096249655 402074420 /nfs/dbraw/zinc/07/44/20/402074420.db2.gz KMBPWVKZHIBCLG-IEBWSBKVSA-N 2 1 315.461 2.323 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415830 185170924 /nfs/dbraw/zinc/17/09/24/185170924.db2.gz UXTQGLGKLAISEH-ROUUACIJSA-N 2 1 317.477 2.483 40 0 DEABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019287744 182112569 /nfs/dbraw/zinc/11/25/69/182112569.db2.gz ZFUQJLBEIJNEON-CABCVRRESA-N 2 1 306.454 2.208 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000096052302 402051490 /nfs/dbraw/zinc/05/14/90/402051490.db2.gz ZMLABWUUYFWIMN-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000096052302 402051493 /nfs/dbraw/zinc/05/14/93/402051493.db2.gz ZMLABWUUYFWIMN-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000096052302 402051495 /nfs/dbraw/zinc/05/14/95/402051495.db2.gz ZMLABWUUYFWIMN-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000096052302 402051499 /nfs/dbraw/zinc/05/14/99/402051499.db2.gz ZMLABWUUYFWIMN-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCOC2)CC3)c1 ZINC000096157417 402062512 /nfs/dbraw/zinc/06/25/12/402062512.db2.gz WFLOOSGCKIQGIM-QGZVFWFLSA-N 2 1 301.434 2.158 40 0 DEABMP C[NH+](C)CCN1CC[N@H+](Cc2ccco2)Cc2cccnc21 ZINC000096198827 402067470 /nfs/dbraw/zinc/06/74/70/402067470.db2.gz DKIJIDNCWOTFLP-UHFFFAOYSA-N 2 1 300.406 2.058 40 0 DEABMP C[NH+](C)CCN1CC[N@@H+](Cc2ccco2)Cc2cccnc21 ZINC000096198827 402067472 /nfs/dbraw/zinc/06/74/72/402067472.db2.gz DKIJIDNCWOTFLP-UHFFFAOYSA-N 2 1 300.406 2.058 40 0 DEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](C1CCCC1)CC2 ZINC000247835693 402576781 /nfs/dbraw/zinc/57/67/81/402576781.db2.gz JCJZRVVYGJCJQO-INIZCTEOSA-N 2 1 310.482 2.236 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415753 185170642 /nfs/dbraw/zinc/17/06/42/185170642.db2.gz YONCFBHZNODWJW-ROUUACIJSA-N 2 1 317.477 2.483 40 0 DEABMP C[N@@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197516 402227382 /nfs/dbraw/zinc/22/73/82/402227382.db2.gz QSSNFRSHMCKRHT-YDZRNGNQSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197516 402227383 /nfs/dbraw/zinc/22/73/83/402227383.db2.gz QSSNFRSHMCKRHT-YDZRNGNQSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197516 402227386 /nfs/dbraw/zinc/22/73/86/402227386.db2.gz QSSNFRSHMCKRHT-YDZRNGNQSA-N 2 1 315.461 2.403 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000107738625 402239733 /nfs/dbraw/zinc/23/97/33/402239733.db2.gz OPFLPMXLWRRBAW-SJLPKXTDSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000107738625 402239734 /nfs/dbraw/zinc/23/97/34/402239734.db2.gz OPFLPMXLWRRBAW-SJLPKXTDSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000107738625 402239738 /nfs/dbraw/zinc/23/97/38/402239738.db2.gz OPFLPMXLWRRBAW-SJLPKXTDSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000107738625 402239740 /nfs/dbraw/zinc/23/97/40/402239740.db2.gz OPFLPMXLWRRBAW-SJLPKXTDSA-N 2 1 322.449 2.227 40 0 DEABMP c1coc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052324 402051697 /nfs/dbraw/zinc/05/16/97/402051697.db2.gz FKQGPLZKGBJISZ-QZTJIDSGSA-N 2 1 320.433 2.125 40 0 DEABMP c1coc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052324 402051699 /nfs/dbraw/zinc/05/16/99/402051699.db2.gz FKQGPLZKGBJISZ-QZTJIDSGSA-N 2 1 320.433 2.125 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)s1 ZINC000096052284 402051780 /nfs/dbraw/zinc/05/17/80/402051780.db2.gz NHHCRIJOALYMQZ-NVXWUHKLSA-N 2 1 324.490 2.368 40 0 DEABMP CC[NH+](CC)CC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000248245271 402585178 /nfs/dbraw/zinc/58/51/78/402585178.db2.gz JFZAOVWWWHICJB-QGZVFWFLSA-N 2 1 320.481 2.398 40 0 DEABMP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183067 355699060 /nfs/dbraw/zinc/69/90/60/355699060.db2.gz WMXBXBUVRYSJLP-YSHGAJCASA-N 2 1 315.461 2.403 40 0 DEABMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183067 355699062 /nfs/dbraw/zinc/69/90/62/355699062.db2.gz WMXBXBUVRYSJLP-YSHGAJCASA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183067 355699065 /nfs/dbraw/zinc/69/90/65/355699065.db2.gz WMXBXBUVRYSJLP-YSHGAJCASA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183067 355699066 /nfs/dbraw/zinc/69/90/66/355699066.db2.gz WMXBXBUVRYSJLP-YSHGAJCASA-N 2 1 315.461 2.403 40 0 DEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000257335590 203057162 /nfs/dbraw/zinc/05/71/62/203057162.db2.gz YKXXENJNKSFGQZ-OAHLLOKOSA-N 2 1 316.449 2.232 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccsc1 ZINC000096082431 402057626 /nfs/dbraw/zinc/05/76/26/402057626.db2.gz RZOATZVKNZAFGE-YESZJQIVSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccsc1 ZINC000096082431 402057628 /nfs/dbraw/zinc/05/76/28/402057628.db2.gz RZOATZVKNZAFGE-YESZJQIVSA-N 2 1 324.490 2.306 40 0 DEABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185567 402066347 /nfs/dbraw/zinc/06/63/47/402066347.db2.gz RHNMGTCMOLVZLW-VYDXJSESSA-N 2 1 321.490 2.121 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000107739545 402239972 /nfs/dbraw/zinc/23/99/72/402239972.db2.gz YXKRTJQHLWGKCE-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000107739545 402239976 /nfs/dbraw/zinc/23/99/76/402239976.db2.gz YXKRTJQHLWGKCE-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccoc3)C2)O1 ZINC000107739545 402239978 /nfs/dbraw/zinc/23/99/78/402239978.db2.gz YXKRTJQHLWGKCE-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccoc3)C2)O1 ZINC000107739545 402239982 /nfs/dbraw/zinc/23/99/82/402239982.db2.gz YXKRTJQHLWGKCE-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000249699611 225244937 /nfs/dbraw/zinc/24/49/37/225244937.db2.gz WWKWDFDVFDZMQR-XIRDDKMYSA-N 2 1 315.461 2.426 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415535 185170290 /nfs/dbraw/zinc/17/02/90/185170290.db2.gz WTCGRYPKYZKMFN-DOTOQJQBSA-N 2 1 303.450 2.235 40 0 DEABMP CC1CC[NH+](Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000020105808 182186600 /nfs/dbraw/zinc/18/66/00/182186600.db2.gz YJONUQXOPFCXKI-UHFFFAOYSA-N 2 1 315.461 2.306 40 0 DEABMP CC(C)(CCCCC(C)(C)NC1=[NH+]CCO1)NC1=NCCO1 ZINC000001638854 401709227 /nfs/dbraw/zinc/70/92/27/401709227.db2.gz ZOXHZXACHGARII-UHFFFAOYSA-N 2 1 310.442 2.056 40 0 DEABMP c1csc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+]2CCOCC2)n1 ZINC000096090768 402057722 /nfs/dbraw/zinc/05/77/22/402057722.db2.gz BWLJWQMGAKCHIV-ARFHVFGLSA-N 2 1 321.490 2.323 40 0 DEABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CCF)CC2 ZINC000096220903 402072037 /nfs/dbraw/zinc/07/20/37/402072037.db2.gz OOGXOBBQZDKLCG-MRXNPFEDSA-N 2 1 307.413 2.106 40 0 DEABMP CC[N@@H+](Cc1ccccc1)C1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000079415498 185170530 /nfs/dbraw/zinc/17/05/30/185170530.db2.gz LWWLRYYGOOHGPF-OOHWJJMZSA-N 2 1 303.450 2.283 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415827 185170881 /nfs/dbraw/zinc/17/08/81/185170881.db2.gz UXTQGLGKLAISEH-MSOLQXFVSA-N 2 1 317.477 2.483 40 0 DEABMP COc1c2c(c([C@@](C)([NH3+])C(C)C)c3c1C[N@@H+](C)CC3)OCO2 ZINC000242648386 257120265 /nfs/dbraw/zinc/12/02/65/257120265.db2.gz QVZVSMNKZXNHGC-KRWDZBQOSA-N 2 1 306.406 2.242 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)s1 ZINC000107739486 402240120 /nfs/dbraw/zinc/24/01/20/402240120.db2.gz NHHCRIJOALYMQZ-RDJZCZTQSA-N 2 1 324.490 2.368 40 0 DEABMP [NH3+]CC(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000100337137 303367160 /nfs/dbraw/zinc/36/71/60/303367160.db2.gz VHONRWKVLKYBPO-IAGOWNOFSA-N 2 1 301.434 2.037 40 0 DEABMP CC(C)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404275 185169117 /nfs/dbraw/zinc/16/91/17/185169117.db2.gz RPNBHAUHIRUVMU-KRWDZBQOSA-N 2 1 303.450 2.094 40 0 DEABMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)Cc1ccccc1O2 ZINC000072394177 401709865 /nfs/dbraw/zinc/70/98/65/401709865.db2.gz FPLZYVCGCFPPLG-MRXNPFEDSA-N 2 1 316.445 2.382 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000096052306 402051891 /nfs/dbraw/zinc/05/18/91/402051891.db2.gz YXKRTJQHLWGKCE-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000096052306 402051893 /nfs/dbraw/zinc/05/18/93/402051893.db2.gz YXKRTJQHLWGKCE-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccoc3)C2)O1 ZINC000096052306 402051895 /nfs/dbraw/zinc/05/18/95/402051895.db2.gz YXKRTJQHLWGKCE-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccoc3)C2)O1 ZINC000096052306 402051897 /nfs/dbraw/zinc/05/18/97/402051897.db2.gz YXKRTJQHLWGKCE-QZTJIDSGSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000096052301 402051911 /nfs/dbraw/zinc/05/19/11/402051911.db2.gz ZMLABWUUYFWIMN-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000096052301 402051912 /nfs/dbraw/zinc/05/19/12/402051912.db2.gz ZMLABWUUYFWIMN-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000096052301 402051913 /nfs/dbraw/zinc/05/19/13/402051913.db2.gz ZMLABWUUYFWIMN-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000096052301 402051914 /nfs/dbraw/zinc/05/19/14/402051914.db2.gz ZMLABWUUYFWIMN-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCCO[C@@H]21 ZINC000096057449 402053666 /nfs/dbraw/zinc/05/36/66/402053666.db2.gz CKTPBGSPCYDHEG-PMPSAXMXSA-N 2 1 310.463 2.058 40 0 DEABMP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096220300 402072146 /nfs/dbraw/zinc/07/21/46/402072146.db2.gz GMDDLPOGNOPVNQ-SJLPKXTDSA-N 2 1 304.434 2.095 40 0 DEABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096220300 402072148 /nfs/dbraw/zinc/07/21/48/402072148.db2.gz GMDDLPOGNOPVNQ-SJLPKXTDSA-N 2 1 304.434 2.095 40 0 DEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1OC)C2 ZINC000096220300 402072151 /nfs/dbraw/zinc/07/21/51/402072151.db2.gz GMDDLPOGNOPVNQ-SJLPKXTDSA-N 2 1 304.434 2.095 40 0 DEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1OC)C2 ZINC000096220300 402072154 /nfs/dbraw/zinc/07/21/54/402072154.db2.gz GMDDLPOGNOPVNQ-SJLPKXTDSA-N 2 1 304.434 2.095 40 0 DEABMP C[N@@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197522 402227454 /nfs/dbraw/zinc/22/74/54/402227454.db2.gz QSSNFRSHMCKRHT-XWSJACJDSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197522 402227457 /nfs/dbraw/zinc/22/74/57/402227457.db2.gz QSSNFRSHMCKRHT-XWSJACJDSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197522 402227459 /nfs/dbraw/zinc/22/74/59/402227459.db2.gz QSSNFRSHMCKRHT-XWSJACJDSA-N 2 1 315.461 2.403 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404626 185169761 /nfs/dbraw/zinc/16/97/61/185169761.db2.gz ZKMFFZAVIGRELK-SJORKVTESA-N 2 1 303.450 2.141 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000079415807 185170981 /nfs/dbraw/zinc/17/09/81/185170981.db2.gz FRGJTDSUAZVNOE-ROUUACIJSA-N 2 1 317.477 2.483 40 0 DEABMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013381829 401799215 /nfs/dbraw/zinc/79/92/15/401799215.db2.gz YPTJQGIRFIIISJ-RLFYNMQTSA-N 2 1 306.450 2.266 40 0 DEABMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013381827 401799542 /nfs/dbraw/zinc/79/95/42/401799542.db2.gz YPTJQGIRFIIISJ-HDMKZQKVSA-N 2 1 306.450 2.266 40 0 DEABMP Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)o1 ZINC000107747113 402239872 /nfs/dbraw/zinc/23/98/72/402239872.db2.gz AUVLPZCVMAQXIR-RYQLBKOJSA-N 2 1 322.449 2.146 40 0 DEABMP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)o1 ZINC000107747113 402239874 /nfs/dbraw/zinc/23/98/74/402239874.db2.gz AUVLPZCVMAQXIR-RYQLBKOJSA-N 2 1 322.449 2.146 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415718 276019916 /nfs/dbraw/zinc/01/99/16/276019916.db2.gz MMWQYVUUWKXYLN-IRXDYDNUSA-N 2 1 303.450 2.093 40 0 DEABMP Cc1[nH+]ccn1C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019287742 279173184 /nfs/dbraw/zinc/17/31/84/279173184.db2.gz ZFUQJLBEIJNEON-GJZGRUSLSA-N 2 1 306.454 2.208 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415757 185170943 /nfs/dbraw/zinc/17/09/43/185170943.db2.gz HKERXCLCSMZTLD-MSOLQXFVSA-N 2 1 317.477 2.340 40 0 DEABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390971 185168014 /nfs/dbraw/zinc/16/80/14/185168014.db2.gz POTLHPIZNHELMF-ROUUACIJSA-N 2 1 317.477 2.483 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390950 185168055 /nfs/dbraw/zinc/16/80/55/185168055.db2.gz BZTXXBHXYHGLPN-MSOLQXFVSA-N 2 1 317.477 2.340 40 0 DEABMP C[N@@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](Cc2ccncc2)C3)C1 ZINC000019588696 182132316 /nfs/dbraw/zinc/13/23/16/182132316.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP C[N@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](Cc2ccncc2)C3)C1 ZINC000019588696 182132317 /nfs/dbraw/zinc/13/23/17/182132317.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@@H+](Cc2ccncc2)C3)C1 ZINC000019588696 182132320 /nfs/dbraw/zinc/13/23/20/182132320.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@H+](Cc2ccncc2)C3)C1 ZINC000019588696 182132321 /nfs/dbraw/zinc/13/23/21/182132321.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C1CC[NH+](C)CC1)COC3 ZINC000096112828 402060579 /nfs/dbraw/zinc/06/05/79/402060579.db2.gz ONVGVCKUVQPAAW-HNNXBMFYSA-N 2 1 314.433 2.100 40 0 biogenic,in-vitro DEABMP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+]3CCCC3)C2)ccn1 ZINC000096185261 402065571 /nfs/dbraw/zinc/06/55/71/402065571.db2.gz BEPNOGKEKHIALK-KURKYZTESA-N 2 1 301.434 2.014 40 0 DEABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@@H](C[NH2+]Cc3cccs3)O2)C1 ZINC000306125174 529045995 /nfs/dbraw/zinc/04/59/95/529045995.db2.gz CIIKADJYZREJIQ-DOTOQJQBSA-N 2 1 324.490 2.496 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415531 185170358 /nfs/dbraw/zinc/17/03/58/185170358.db2.gz WTCGRYPKYZKMFN-RDJZCZTQSA-N 2 1 303.450 2.235 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415884 185170718 /nfs/dbraw/zinc/17/07/18/185170718.db2.gz VZXIAQORMWPDFR-MSOLQXFVSA-N 2 1 317.477 2.481 40 0 DEABMP CC(C)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404266 185169221 /nfs/dbraw/zinc/16/92/21/185169221.db2.gz YNOIEABWRWTEAQ-KRWDZBQOSA-N 2 1 303.450 2.237 40 0 DEABMP CN(C)C[C@H](CC1=C(C[C@@H](C[NH+](C)C)N(C)C)CCC1)[NH+](C)C ZINC000019365235 182118980 /nfs/dbraw/zinc/11/89/80/182118980.db2.gz LAAYVNAGMUFKIX-OALUTQOASA-N 2 1 324.557 2.231 40 0 DEABMP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415660 401872975 /nfs/dbraw/zinc/87/29/75/401872975.db2.gz HDTPZJJEXQPPBQ-YJBOKZPZSA-N 2 1 315.461 2.379 40 0 DEABMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+](C)C)C2)cc1 ZINC000096056205 402052984 /nfs/dbraw/zinc/05/29/84/402052984.db2.gz JYLHMDMDEUISAD-NXHRZFHOSA-N 2 1 304.434 2.094 40 0 DEABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057447 402053730 /nfs/dbraw/zinc/05/37/30/402053730.db2.gz LYIREKBECXNWIY-PMPSAXMXSA-N 2 1 310.463 2.058 40 0 DEABMP C[C@@]1(CO)CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@@]1(C)CO ZINC000253416882 402664447 /nfs/dbraw/zinc/66/44/47/402664447.db2.gz HRGQDTNSUTYICD-VUOWKATKSA-N 2 1 310.482 2.016 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079394284 185168801 /nfs/dbraw/zinc/16/88/01/185168801.db2.gz NMPUBZIIOZLDBX-SJORKVTESA-N 2 1 303.450 2.093 40 0 DEABMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183064 355698871 /nfs/dbraw/zinc/69/88/71/355698871.db2.gz WMXBXBUVRYSJLP-OQIJWPOYSA-N 2 1 315.461 2.403 40 0 DEABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183064 355698874 /nfs/dbraw/zinc/69/88/74/355698874.db2.gz WMXBXBUVRYSJLP-OQIJWPOYSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183064 355698876 /nfs/dbraw/zinc/69/88/76/355698876.db2.gz WMXBXBUVRYSJLP-OQIJWPOYSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183064 355698879 /nfs/dbraw/zinc/69/88/79/355698879.db2.gz WMXBXBUVRYSJLP-OQIJWPOYSA-N 2 1 315.461 2.403 40 0 DEABMP CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079415493 285112387 /nfs/dbraw/zinc/11/23/87/285112387.db2.gz BCLLBIAPZFZMHH-HNNXBMFYSA-N 2 1 303.450 2.094 40 0 DEABMP c1csc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)n1 ZINC000096185413 402065992 /nfs/dbraw/zinc/06/59/92/402065992.db2.gz XOCSTEMIRIMBGK-SOUVJXGZSA-N 2 1 307.463 2.076 40 0 DEABMP c1csc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)n1 ZINC000096185413 402065996 /nfs/dbraw/zinc/06/59/96/402065996.db2.gz XOCSTEMIRIMBGK-SOUVJXGZSA-N 2 1 307.463 2.076 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000079415765 185170920 /nfs/dbraw/zinc/17/09/20/185170920.db2.gz RESVSODOKCKBHL-SFHVURJKSA-N 2 1 317.477 2.340 40 0 DEABMP CN1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185584 402066272 /nfs/dbraw/zinc/06/62/72/402066272.db2.gz SRHLQCDANJRIRA-SQNIBIBYSA-N 2 1 303.450 2.270 40 0 DEABMP CCCN1CCC[N@@H+](C)CCN(C)CCC[NH+](CCC)CC1 ZINC000068604820 402202575 /nfs/dbraw/zinc/20/25/75/402202575.db2.gz RUAPIXJSFRFXPV-UHFFFAOYSA-N 2 1 312.546 2.068 40 0 DEABMP CCCN1CCC[NH+](C)CCN(C)CCC[N@H+](CCC)CC1 ZINC000068604820 402202579 /nfs/dbraw/zinc/20/25/79/402202579.db2.gz RUAPIXJSFRFXPV-UHFFFAOYSA-N 2 1 312.546 2.068 40 0 DEABMP CCCN1CCC[NH+](C)CCN(C)CCC[N@@H+](CCC)CC1 ZINC000068604820 402202581 /nfs/dbraw/zinc/20/25/81/402202581.db2.gz RUAPIXJSFRFXPV-UHFFFAOYSA-N 2 1 312.546 2.068 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101667128 355710022 /nfs/dbraw/zinc/71/00/22/355710022.db2.gz DEFNQEILKZXQAF-IAGOWNOFSA-N 2 1 303.450 2.283 40 0 DEABMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288689 357345106 /nfs/dbraw/zinc/34/51/06/357345106.db2.gz HRWVMAURVTUMIN-RCCFBDPRSA-N 2 1 306.450 2.231 40 0 DEABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000044910131 401950514 /nfs/dbraw/zinc/95/05/14/401950514.db2.gz KWLJJZRZRVDNJF-HNNXBMFYSA-N 2 1 303.450 2.210 40 0 DEABMP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197463 402227577 /nfs/dbraw/zinc/22/75/77/402227577.db2.gz WMXBXBUVRYSJLP-BVBHFADKSA-N 2 1 315.461 2.403 40 0 DEABMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197463 402227581 /nfs/dbraw/zinc/22/75/81/402227581.db2.gz WMXBXBUVRYSJLP-BVBHFADKSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197463 402227583 /nfs/dbraw/zinc/22/75/83/402227583.db2.gz WMXBXBUVRYSJLP-BVBHFADKSA-N 2 1 315.461 2.403 40 0 DEABMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197463 402227587 /nfs/dbraw/zinc/22/75/87/402227587.db2.gz WMXBXBUVRYSJLP-BVBHFADKSA-N 2 1 315.461 2.403 40 0 DEABMP c1cc(C[NH+]2C[C@@H]3C[N@H+](C[C@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000107800624 402240409 /nfs/dbraw/zinc/24/04/09/402240409.db2.gz ZKXRGQZQRGZTND-FGTMMUONSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[NH+]2C[C@@H]3C[N@@H+](C[C@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000107800624 402240413 /nfs/dbraw/zinc/24/04/13/402240413.db2.gz ZKXRGQZQRGZTND-FGTMMUONSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[N@@H+]2C[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000107800624 402240414 /nfs/dbraw/zinc/24/04/14/402240414.db2.gz ZKXRGQZQRGZTND-FGTMMUONSA-N 2 1 301.434 2.014 40 0 DEABMP c1cc(C[N@H+]2C[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000107800624 402240419 /nfs/dbraw/zinc/24/04/19/402240419.db2.gz ZKXRGQZQRGZTND-FGTMMUONSA-N 2 1 301.434 2.014 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415823 185170677 /nfs/dbraw/zinc/17/06/77/185170677.db2.gz QJEGCWHYPAAKGS-MSOLQXFVSA-N 2 1 317.477 2.340 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079394318 185168854 /nfs/dbraw/zinc/16/88/54/185168854.db2.gz CZYZWFWZEROSQK-UHFFFAOYSA-N 2 1 303.450 2.283 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404622 185169506 /nfs/dbraw/zinc/16/95/06/185169506.db2.gz ZKMFFZAVIGRELK-IRXDYDNUSA-N 2 1 303.450 2.141 40 0 DEABMP Cc1nonc1CNc1cccc(C[C@H]2CCC[NH2+]CC2)[nH+]1 ZINC000072365452 191134026 /nfs/dbraw/zinc/13/40/26/191134026.db2.gz JWKGOIZPAJQLHZ-ZDUSSCGKSA-N 2 1 301.394 2.317 40 0 DEABMP C[N@H+]1CCc2nc(C3CC[NH+](Cc4cccnc4)CC3)ncc2C1 ZINC000019590722 182131908 /nfs/dbraw/zinc/13/19/08/182131908.db2.gz FKKTZQCLYDXEAZ-UHFFFAOYSA-N 2 1 323.444 2.239 40 0 DEABMP c1ccc(CN2CCC[C@@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000248084838 402582126 /nfs/dbraw/zinc/58/21/26/402582126.db2.gz JZBYUBQNIKTYPJ-ZWKOTPCHSA-N 2 1 301.434 2.158 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242463395 528950135 /nfs/dbraw/zinc/95/01/35/528950135.db2.gz CZYZWFWZEROSQK-QAQDUYKDSA-N 2 1 303.450 2.283 40 0 DEABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096240298 402074299 /nfs/dbraw/zinc/07/42/99/402074299.db2.gz GNAJOKKSPVGKFX-KRWDZBQOSA-N 2 1 320.481 2.131 40 0 DEABMP CC(C)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404527 185169796 /nfs/dbraw/zinc/16/97/96/185169796.db2.gz PYZNTYXCXWJKQO-FUHWJXTLSA-N 2 1 317.477 2.483 40 0 DEABMP [NH3+]CC(=O)NC1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391060 185168097 /nfs/dbraw/zinc/16/80/97/185168097.db2.gz BRLOOPRCGLNTMT-UHFFFAOYSA-N 2 1 301.434 2.037 40 0 DEABMP CC[NH+]1CCC(N2CC[N@H+](C)[C@H](c3ccccc3OC)C2)CC1 ZINC000257328582 203051309 /nfs/dbraw/zinc/05/13/09/203051309.db2.gz XGHQRDUANOXINC-SFHVURJKSA-N 2 1 317.477 2.468 40 0 DEABMP CC[NH+]1CCC(N2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)CC1 ZINC000257328582 203051313 /nfs/dbraw/zinc/05/13/13/203051313.db2.gz XGHQRDUANOXINC-SFHVURJKSA-N 2 1 317.477 2.468 40 0 DEABMP C[N@H+]1CCC[C@@H](NC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257314103 203038179 /nfs/dbraw/zinc/03/81/79/203038179.db2.gz UVHQRSLCSIVENV-MRXNPFEDSA-N 2 1 324.428 2.031 40 0 DEABMP Cc1onc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1C[NH+](C)C ZINC000036748788 401907677 /nfs/dbraw/zinc/90/76/77/401907677.db2.gz CWUVVAUPVBEEFK-UHFFFAOYSA-N 2 1 322.453 2.039 40 0 DEABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000107202954 402227778 /nfs/dbraw/zinc/22/77/78/402227778.db2.gz NWDDCAWAMFPJNF-IKGGRYGDSA-N 2 1 321.490 2.121 40 0 DEABMP COc1ccc2nc([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)[nH]c2c1 ZINC000035446774 401899544 /nfs/dbraw/zinc/89/95/44/401899544.db2.gz MBPVZIOORSFWIN-ZDUSSCGKSA-N 2 1 314.433 2.455 40 0 biogenic,in-vitro DEABMP COc1ccc2nc([C@H]3CC[N@H+](C4CCN(C)CC4)C3)[nH]c2c1 ZINC000035446774 401899547 /nfs/dbraw/zinc/89/95/47/401899547.db2.gz MBPVZIOORSFWIN-ZDUSSCGKSA-N 2 1 314.433 2.455 40 0 biogenic,in-vitro DEABMP COc1ccc2[nH]c([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000035446774 401899550 /nfs/dbraw/zinc/89/95/50/401899550.db2.gz MBPVZIOORSFWIN-ZDUSSCGKSA-N 2 1 314.433 2.455 40 0 biogenic,in-vitro DEABMP COc1ccc2[nH]c([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000035446774 401899552 /nfs/dbraw/zinc/89/95/52/401899552.db2.gz MBPVZIOORSFWIN-ZDUSSCGKSA-N 2 1 314.433 2.455 40 0 biogenic,in-vitro DEABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cccnc1OC)CC2 ZINC000096209118 402069712 /nfs/dbraw/zinc/06/97/12/402069712.db2.gz VFWUDHGASHVOPO-MRXNPFEDSA-N 2 1 319.449 2.023 40 0 DEABMP c1ccc(C[N@@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)nc1 ZINC000096158843 402063375 /nfs/dbraw/zinc/06/33/75/402063375.db2.gz WANIHMRZUAAJLR-UHFFFAOYSA-N 2 1 301.434 2.158 40 0 DEABMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)nc1 ZINC000096158843 402063376 /nfs/dbraw/zinc/06/33/76/402063376.db2.gz WANIHMRZUAAJLR-UHFFFAOYSA-N 2 1 301.434 2.158 40 0 DEABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404582 185169729 /nfs/dbraw/zinc/16/97/29/185169729.db2.gz MLCZKCATIVVTFZ-MAUKXSAKSA-N 2 1 315.461 2.379 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)s1 ZINC000107738583 402240234 /nfs/dbraw/zinc/24/02/34/402240234.db2.gz FOPSIGWHEHBWMQ-RDJZCZTQSA-N 2 1 324.490 2.226 40 0 DEABMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3C)C2)oc1C ZINC000247969905 402579117 /nfs/dbraw/zinc/57/91/17/402579117.db2.gz HIUGVNRXALMYIH-RYRKJORJSA-N 2 1 305.466 2.353 40 0 DEABMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000078578601 401856739 /nfs/dbraw/zinc/85/67/39/401856739.db2.gz RYTGIBACXOVGPY-INIZCTEOSA-N 2 1 312.417 2.139 40 0 DEABMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000078578601 401856742 /nfs/dbraw/zinc/85/67/42/401856742.db2.gz RYTGIBACXOVGPY-INIZCTEOSA-N 2 1 312.417 2.139 40 0 DEABMP COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)cc1 ZINC000096056230 402053054 /nfs/dbraw/zinc/05/30/54/402053054.db2.gz GKMGDWSOHBLDOI-RYQLBKOJSA-N 2 1 304.434 2.094 40 0 DEABMP [NH3+]CC(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100178257 402139958 /nfs/dbraw/zinc/13/99/58/402139958.db2.gz BRLOOPRCGLNTMT-IYBDPMFKSA-N 2 1 301.434 2.037 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000248031848 402580903 /nfs/dbraw/zinc/58/09/03/402580903.db2.gz TZDISLJCDSEHBM-XIRDDKMYSA-N 2 1 324.490 2.306 40 0 DEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000248031848 402580906 /nfs/dbraw/zinc/58/09/06/402580906.db2.gz TZDISLJCDSEHBM-XIRDDKMYSA-N 2 1 324.490 2.306 40 0 DEABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cccs3)O2)C1 ZINC000306125175 529046229 /nfs/dbraw/zinc/04/62/29/529046229.db2.gz CIIKADJYZREJIQ-NVXWUHKLSA-N 2 1 324.490 2.496 40 0 DEABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415524 185170519 /nfs/dbraw/zinc/17/05/19/185170519.db2.gz RUNLXNSEGOWYKS-RDJZCZTQSA-N 2 1 303.450 2.093 40 0 DEABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079393800 185168713 /nfs/dbraw/zinc/16/87/13/185168713.db2.gz DEFNQEILKZXQAF-DLBZAZTESA-N 2 1 303.450 2.283 40 0 DEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000585104301 357333829 /nfs/dbraw/zinc/33/38/29/357333829.db2.gz YLJGXTCIUMGNOP-KRWDZBQOSA-N 2 1 322.449 2.086 40 0 DEABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)CC1 ZINC000049169596 402012957 /nfs/dbraw/zinc/01/29/57/402012957.db2.gz AJSPALCVXIDRIB-AWEZNQCLSA-N 2 1 313.405 2.015 40 0 biogenic,in-vitro DEABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)CC1 ZINC000049169596 402012959 /nfs/dbraw/zinc/01/29/59/402012959.db2.gz AJSPALCVXIDRIB-AWEZNQCLSA-N 2 1 313.405 2.015 40 0 biogenic,in-vitro DEABMP Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CC[NH+](C)CC2)COC1 ZINC000096112809 402060354 /nfs/dbraw/zinc/06/03/54/402060354.db2.gz DTJWQRRELSQDPD-HNNXBMFYSA-N 2 1 314.433 2.100 40 0 biogenic,in-vitro DEABMP c1coc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052323 402051918 /nfs/dbraw/zinc/05/19/18/402051918.db2.gz FKQGPLZKGBJISZ-MSOLQXFVSA-N 2 1 320.433 2.125 40 0 DEABMP c1coc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052323 402051922 /nfs/dbraw/zinc/05/19/22/402051922.db2.gz FKQGPLZKGBJISZ-MSOLQXFVSA-N 2 1 320.433 2.125 40 0 DEABMP CC[N@@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC000096216243 402070486 /nfs/dbraw/zinc/07/04/86/402070486.db2.gz SSRILXDHMLGJLA-GOEBONIOSA-N 2 1 309.479 2.242 40 0 DEABMP CC[N@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC000096216243 402070488 /nfs/dbraw/zinc/07/04/88/402070488.db2.gz SSRILXDHMLGJLA-GOEBONIOSA-N 2 1 309.479 2.242 40 0 DEABMP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC000096216243 402070491 /nfs/dbraw/zinc/07/04/91/402070491.db2.gz SSRILXDHMLGJLA-GOEBONIOSA-N 2 1 309.479 2.242 40 0 DEABMP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC000096216243 402070493 /nfs/dbraw/zinc/07/04/93/402070493.db2.gz SSRILXDHMLGJLA-GOEBONIOSA-N 2 1 309.479 2.242 40 0 DEABMP CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC000096218083 402071112 /nfs/dbraw/zinc/07/11/12/402071112.db2.gz SSRILXDHMLGJLA-GDBMZVCRSA-N 2 1 309.479 2.242 40 0 DEABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC000096218083 402071114 /nfs/dbraw/zinc/07/11/14/402071114.db2.gz SSRILXDHMLGJLA-GDBMZVCRSA-N 2 1 309.479 2.242 40 0 DEABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC000096218083 402071118 /nfs/dbraw/zinc/07/11/18/402071118.db2.gz SSRILXDHMLGJLA-GDBMZVCRSA-N 2 1 309.479 2.242 40 0 DEABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC000096218083 402071119 /nfs/dbraw/zinc/07/11/19/402071119.db2.gz SSRILXDHMLGJLA-GDBMZVCRSA-N 2 1 309.479 2.242 40 0 DEABMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000096161735 402063859 /nfs/dbraw/zinc/06/38/59/402063859.db2.gz VNNCZMXQRWTGPH-GBESFXJTSA-N 2 1 300.446 2.395 40 0 DEABMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000096161735 402063862 /nfs/dbraw/zinc/06/38/62/402063862.db2.gz VNNCZMXQRWTGPH-GBESFXJTSA-N 2 1 300.446 2.395 40 0 DEABMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000096161735 402063864 /nfs/dbraw/zinc/06/38/64/402063864.db2.gz VNNCZMXQRWTGPH-GBESFXJTSA-N 2 1 300.446 2.395 40 0 DEABMP c1cncc(C[N@@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC000096158807 402063505 /nfs/dbraw/zinc/06/35/05/402063505.db2.gz CLJHYTRYCCHHDN-UHFFFAOYSA-N 2 1 301.434 2.158 40 0 DEABMP c1cncc(C[N@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC000096158807 402063506 /nfs/dbraw/zinc/06/35/06/402063506.db2.gz CLJHYTRYCCHHDN-UHFFFAOYSA-N 2 1 301.434 2.158 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079415481 276142410 /nfs/dbraw/zinc/14/24/10/276142410.db2.gz PSCBSRNHNTXOPI-DOTOQJQBSA-N 2 1 303.450 2.237 40 0 DEABMP CC(C)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404505 185169787 /nfs/dbraw/zinc/16/97/87/185169787.db2.gz LOKPEQNBDPEOIP-RDJZCZTQSA-N 2 1 303.450 2.093 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079415501 185170535 /nfs/dbraw/zinc/17/05/35/185170535.db2.gz TVSXZBNHJPRRAT-BHYGNILZSA-N 2 1 303.450 2.283 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415876 185170609 /nfs/dbraw/zinc/17/06/09/185170609.db2.gz VZXIAQORMWPDFR-ROUUACIJSA-N 2 1 317.477 2.481 40 0 DEABMP Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1O ZINC000585289647 357345049 /nfs/dbraw/zinc/34/50/49/357345049.db2.gz TYMORSDNIFUELY-QXAKKESOSA-N 2 1 318.461 2.340 40 0 DEABMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+]2CCCC2)cn1 ZINC000096081880 402057578 /nfs/dbraw/zinc/05/75/78/402057578.db2.gz VSJDEDXTDSDGMT-RCCFBDPRSA-N 2 1 302.466 2.364 40 0 DEABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CCF)CC2 ZINC000096220906 402072162 /nfs/dbraw/zinc/07/21/62/402072162.db2.gz OOGXOBBQZDKLCG-INIZCTEOSA-N 2 1 307.413 2.106 40 0 DEABMP Cc1noc(C)c1CN1CC[C@@H]2[C@H](CC1)OCC[N@H+]2CC1CC1 ZINC000107254942 402228752 /nfs/dbraw/zinc/22/87/52/402228752.db2.gz YWJTZULSFFEVBM-MSOLQXFVSA-N 2 1 319.449 2.367 40 0 DEABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH+](C1CCCC1)CC2 ZINC000096218985 277218970 /nfs/dbraw/zinc/21/89/70/277218970.db2.gz HLEUJLXVVQNJIY-QGZVFWFLSA-N 2 1 310.482 2.378 40 0 DEABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390967 185167923 /nfs/dbraw/zinc/16/79/23/185167923.db2.gz POTLHPIZNHELMF-MSOLQXFVSA-N 2 1 317.477 2.483 40 0 DEABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019523583 401822187 /nfs/dbraw/zinc/82/21/87/401822187.db2.gz UFQKDAYYYGGMRY-HZPDHXFCSA-N 2 1 320.481 2.462 40 0 DEABMP Cc1cc(N2CC[NH+](CC3CC3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697995 401823169 /nfs/dbraw/zinc/82/31/69/401823169.db2.gz IWVZEMCDOVUVBP-QGZVFWFLSA-N 3 1 300.450 2.347 40 0 DEABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000044910129 401950563 /nfs/dbraw/zinc/95/05/63/401950563.db2.gz KWLJJZRZRVDNJF-OAHLLOKOSA-N 2 1 303.450 2.210 40 0 DEABMP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096108264 402059572 /nfs/dbraw/zinc/05/95/72/402059572.db2.gz KGSPDGRFVSJISI-APWZRJJASA-N 2 1 311.429 2.245 40 0 DEABMP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096108264 402059574 /nfs/dbraw/zinc/05/95/74/402059574.db2.gz KGSPDGRFVSJISI-APWZRJJASA-N 2 1 311.429 2.245 40 0 DEABMP COC[C@@H]1C[N@@H+](CC(C)C)CC12CC[NH+](C1CCOCC1)CC2 ZINC000248218017 402585379 /nfs/dbraw/zinc/58/53/79/402585379.db2.gz HBWBPFSPHCTVHE-KRWDZBQOSA-N 2 1 324.509 2.482 40 0 DEABMP C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333591660 403787400 /nfs/dbraw/zinc/78/74/00/403787400.db2.gz PEJDPLPNHQCXEU-YALNPMBYSA-N 2 1 322.497 2.209 40 0 DEABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000249696761 528830971 /nfs/dbraw/zinc/83/09/71/528830971.db2.gz TVSXZBNHJPRRAT-USXIJHARSA-N 2 1 303.450 2.283 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404688 185169776 /nfs/dbraw/zinc/16/97/76/185169776.db2.gz JJBBCQQKPUMVNM-ROUUACIJSA-N 2 1 317.477 2.481 40 0 DEABMP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415663 185170661 /nfs/dbraw/zinc/17/06/61/185170661.db2.gz YHDKSWMEVRLDFW-RDJZCZTQSA-N 2 1 315.461 2.237 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079394298 185168959 /nfs/dbraw/zinc/16/89/59/185168959.db2.gz NGDOIPZWTZBHAN-MSOLQXFVSA-N 2 1 317.477 2.483 40 0 DEABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079394296 185169027 /nfs/dbraw/zinc/16/90/27/185169027.db2.gz NGDOIPZWTZBHAN-ROUUACIJSA-N 2 1 317.477 2.483 40 0 DEABMP Cc1[nH+]ccn1CCC(=O)N1CCC([C@@H]2CCCC[N@H+]2C)CC1 ZINC000019746559 182142133 /nfs/dbraw/zinc/14/21/33/182142133.db2.gz OZUOXNDRZQLKCY-KRWDZBQOSA-N 2 1 318.465 2.305 40 0 DEABMP Cc1[nH+]ccn1CCC(=O)N1CCC([C@@H]2CCCC[N@@H+]2C)CC1 ZINC000019746559 182142135 /nfs/dbraw/zinc/14/21/35/182142135.db2.gz OZUOXNDRZQLKCY-KRWDZBQOSA-N 2 1 318.465 2.305 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000107738629 402239848 /nfs/dbraw/zinc/23/98/48/402239848.db2.gz OPFLPMXLWRRBAW-FUHWJXTLSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000107738629 402239852 /nfs/dbraw/zinc/23/98/52/402239852.db2.gz OPFLPMXLWRRBAW-FUHWJXTLSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000107738629 402239854 /nfs/dbraw/zinc/23/98/54/402239854.db2.gz OPFLPMXLWRRBAW-FUHWJXTLSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000107738629 402239857 /nfs/dbraw/zinc/23/98/57/402239857.db2.gz OPFLPMXLWRRBAW-FUHWJXTLSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000107795325 402240922 /nfs/dbraw/zinc/24/09/22/402240922.db2.gz LHKOVAGIXXAADK-QZTJIDSGSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000107795325 402240924 /nfs/dbraw/zinc/24/09/24/402240924.db2.gz LHKOVAGIXXAADK-QZTJIDSGSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000107795325 402240925 /nfs/dbraw/zinc/24/09/25/402240925.db2.gz LHKOVAGIXXAADK-QZTJIDSGSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000107795325 402240927 /nfs/dbraw/zinc/24/09/27/402240927.db2.gz LHKOVAGIXXAADK-QZTJIDSGSA-N 2 1 322.449 2.227 40 0 DEABMP CC[NH+](CC)CC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000248245269 402585399 /nfs/dbraw/zinc/58/53/99/402585399.db2.gz JFZAOVWWWHICJB-KRWDZBQOSA-N 2 1 320.481 2.398 40 0 DEABMP CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404471 276351068 /nfs/dbraw/zinc/35/10/68/276351068.db2.gz GICXNEJWZRLKES-RDJZCZTQSA-N 2 1 303.450 2.237 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415816 185170595 /nfs/dbraw/zinc/17/05/95/185170595.db2.gz QJEGCWHYPAAKGS-ROUUACIJSA-N 2 1 317.477 2.340 40 0 DEABMP C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](Cc2cccnc2)C3)C1 ZINC000019588690 182132558 /nfs/dbraw/zinc/13/25/58/182132558.db2.gz KZJJUCAWRKVMCO-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[N@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](Cc2cccnc2)C3)C1 ZINC000019588690 182132559 /nfs/dbraw/zinc/13/25/59/182132559.db2.gz KZJJUCAWRKVMCO-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019588690 182132562 /nfs/dbraw/zinc/13/25/62/182132562.db2.gz KZJJUCAWRKVMCO-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019588690 182132563 /nfs/dbraw/zinc/13/25/63/182132563.db2.gz KZJJUCAWRKVMCO-MRXNPFEDSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccsc3)C2)O1 ZINC000096052279 402051718 /nfs/dbraw/zinc/05/17/18/402051718.db2.gz NOVMIMVTLUHJPV-HOTGVXAUSA-N 2 1 310.463 2.060 40 0 DEABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc(F)cc3)C2)O1 ZINC000096052286 402051818 /nfs/dbraw/zinc/05/18/18/402051818.db2.gz RQVPTTITIYOFHS-QZTJIDSGSA-N 2 1 322.424 2.137 40 0 DEABMP Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)o1 ZINC000096055205 402052932 /nfs/dbraw/zinc/05/29/32/402052932.db2.gz AUVLPZCVMAQXIR-BPQIPLTHSA-N 2 1 322.449 2.146 40 0 DEABMP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)o1 ZINC000096055205 402052933 /nfs/dbraw/zinc/05/29/33/402052933.db2.gz AUVLPZCVMAQXIR-BPQIPLTHSA-N 2 1 322.449 2.146 40 0 DEABMP C(C[NH+]1CCCC1)O[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCC1)C2 ZINC000096207657 402069819 /nfs/dbraw/zinc/06/98/19/402069819.db2.gz WJPOZQOSSXQBOD-MSOLQXFVSA-N 2 1 308.466 2.275 40 0 DEABMP CC(C)[N@H+]1[C@H](CN(C)C)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000248048578 402581613 /nfs/dbraw/zinc/58/16/13/402581613.db2.gz WWKHHGMHJSUMFF-NEWSRXKRSA-N 2 1 316.493 2.316 40 0 DEABMP CC(C)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000248048578 402581615 /nfs/dbraw/zinc/58/16/15/402581615.db2.gz WWKHHGMHJSUMFF-NEWSRXKRSA-N 2 1 316.493 2.316 40 0 DEABMP CC(C)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000248048578 402581617 /nfs/dbraw/zinc/58/16/17/402581617.db2.gz WWKHHGMHJSUMFF-NEWSRXKRSA-N 2 1 316.493 2.316 40 0 DEABMP [NH3+]CC(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000247703675 225234558 /nfs/dbraw/zinc/23/45/58/225234558.db2.gz BRLOOPRCGLNTMT-WKILWMFISA-N 2 1 301.434 2.037 40 0 DEABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000008377146 401752587 /nfs/dbraw/zinc/75/25/87/401752587.db2.gz TUCICICWOLHODW-UHFFFAOYSA-N 2 1 302.374 2.432 40 0 DEABMP C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096064765 402055475 /nfs/dbraw/zinc/05/54/75/402055475.db2.gz VOKNWVZBSJUXOH-IKGGRYGDSA-N 2 1 324.490 2.448 40 0 DEABMP COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+](C)C)cn1 ZINC000096249001 402073889 /nfs/dbraw/zinc/07/38/89/402073889.db2.gz HUDYFSPPOJKXQG-GVDBMIGSSA-N 2 1 303.450 2.500 40 0 DEABMP Cc1noc(C)c1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000097971510 402133872 /nfs/dbraw/zinc/13/38/72/402133872.db2.gz CKMRADMOARYKNR-HZPDHXFCSA-N 2 1 312.417 2.250 40 0 DEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](C1CCCC1)CC2 ZINC000247835699 277227694 /nfs/dbraw/zinc/22/76/94/277227694.db2.gz JCJZRVVYGJCJQO-MRXNPFEDSA-N 2 1 310.482 2.236 40 0 DEABMP CC(C)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404500 185169678 /nfs/dbraw/zinc/16/96/78/185169678.db2.gz LOKPEQNBDPEOIP-DOTOQJQBSA-N 2 1 303.450 2.093 40 0 DEABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415673 185170855 /nfs/dbraw/zinc/17/08/55/185170855.db2.gz YHDKSWMEVRLDFW-DOTOQJQBSA-N 2 1 315.461 2.237 40 0 DEABMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585283576 357344256 /nfs/dbraw/zinc/34/42/56/357344256.db2.gz BWULADHKEZXRIR-RCCFBDPRSA-N 2 1 322.424 2.170 40 0 DEABMP C[N@H+]1CCC[C@@H]2N(C(=O)C[NH+]3CCCCCC3)CCC[C@@]21C ZINC000257247841 277070727 /nfs/dbraw/zinc/07/07/27/277070727.db2.gz JAUQMXYLONJXFB-WMZOPIPTSA-N 2 1 307.482 2.338 40 0 DEABMP [NH3+]CCNc1cc[nH+]c2ccc(I)cc12 ZINC000222679186 402307658 /nfs/dbraw/zinc/30/76/58/402307658.db2.gz BUNCTBMQEKYVFC-UHFFFAOYSA-N 2 1 313.142 2.210 40 0 DEABMP CC(C)[N@H+]1CCOC[C@]2(CC[C@H](C[NH2+]Cc3cccs3)O2)C1 ZINC000306125177 529045828 /nfs/dbraw/zinc/04/58/28/529045828.db2.gz CIIKADJYZREJIQ-WBVHZDCISA-N 2 1 324.490 2.496 40 0 DEABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(F)cc3)C2)O1 ZINC000096052288 282135933 /nfs/dbraw/zinc/13/59/33/282135933.db2.gz RQVPTTITIYOFHS-MSOLQXFVSA-N 2 1 322.424 2.137 40 0 DEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000079415811 185170782 /nfs/dbraw/zinc/17/07/82/185170782.db2.gz FRGJTDSUAZVNOE-MSOLQXFVSA-N 2 1 317.477 2.483 40 0 DEABMP c1cnc2[nH]c(C3CC[NH2+]CC3)c(C[N@H+]3CCCOCC3)c2c1 ZINC000072394699 191149617 /nfs/dbraw/zinc/14/96/17/191149617.db2.gz VPNDNEMVUUAHGJ-UHFFFAOYSA-N 2 1 314.433 2.252 40 0 DEABMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000012706453 181789471 /nfs/dbraw/zinc/78/94/71/181789471.db2.gz CJIFPDKBLMYYAM-UHFFFAOYSA-N 2 1 317.433 2.358 40 0 DEABMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785351 181152119 /nfs/dbraw/zinc/15/21/19/181152119.db2.gz YPTJQGIRFIIISJ-RVKKMQEKSA-N 2 1 306.450 2.266 40 0 DEABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000585104268 357333677 /nfs/dbraw/zinc/33/36/77/357333677.db2.gz XMJNOBAXNWBCOL-QGZVFWFLSA-N 2 1 322.493 2.236 40 0 DEABMP C[N@@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](Cc2cccnc2)C3)C1 ZINC000019588692 182132576 /nfs/dbraw/zinc/13/25/76/182132576.db2.gz KZJJUCAWRKVMCO-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP C[N@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](Cc2cccnc2)C3)C1 ZINC000019588692 182132577 /nfs/dbraw/zinc/13/25/77/182132577.db2.gz KZJJUCAWRKVMCO-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019588692 182132578 /nfs/dbraw/zinc/13/25/78/182132578.db2.gz KZJJUCAWRKVMCO-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019588692 182132579 /nfs/dbraw/zinc/13/25/79/182132579.db2.gz KZJJUCAWRKVMCO-INIZCTEOSA-N 2 1 323.444 2.239 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000096052305 402051670 /nfs/dbraw/zinc/05/16/70/402051670.db2.gz YXKRTJQHLWGKCE-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccoc3)C2)O1 ZINC000096052305 402051672 /nfs/dbraw/zinc/05/16/72/402051672.db2.gz YXKRTJQHLWGKCE-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccoc3)C2)O1 ZINC000096052305 402051676 /nfs/dbraw/zinc/05/16/76/402051676.db2.gz YXKRTJQHLWGKCE-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccoc3)C2)O1 ZINC000096052305 402051677 /nfs/dbraw/zinc/05/16/77/402051677.db2.gz YXKRTJQHLWGKCE-ZWKOTPCHSA-N 2 1 322.449 2.370 40 0 DEABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000096052273 402051707 /nfs/dbraw/zinc/05/17/07/402051707.db2.gz YUIPJUFKZGTYBD-GOEBONIOSA-N 2 1 310.463 2.060 40 0 DEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096078531 402057033 /nfs/dbraw/zinc/05/70/33/402057033.db2.gz LHKOVAGIXXAADK-MSOLQXFVSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096078531 402057035 /nfs/dbraw/zinc/05/70/35/402057035.db2.gz LHKOVAGIXXAADK-MSOLQXFVSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096078531 402057036 /nfs/dbraw/zinc/05/70/36/402057036.db2.gz LHKOVAGIXXAADK-MSOLQXFVSA-N 2 1 322.449 2.227 40 0 DEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096078531 402057038 /nfs/dbraw/zinc/05/70/38/402057038.db2.gz LHKOVAGIXXAADK-MSOLQXFVSA-N 2 1 322.449 2.227 40 0 DEABMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCCC2)O3)cn1 ZINC000096218792 402071552 /nfs/dbraw/zinc/07/15/52/402071552.db2.gz KRVQBIHGVQQVDV-ZWKOTPCHSA-N 2 1 318.465 2.030 40 0 DEABMP Cc1noc(C)c1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000097971511 402133822 /nfs/dbraw/zinc/13/38/22/402133822.db2.gz CKMRADMOARYKNR-HOTGVXAUSA-N 2 1 312.417 2.250 40 0 DEABMP COC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](C)CC2 ZINC000585103814 357333691 /nfs/dbraw/zinc/33/36/91/357333691.db2.gz RSLKQRQNWWOVJB-AWEZNQCLSA-N 2 1 309.479 2.242 40 0 DEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000257335589 203057362 /nfs/dbraw/zinc/05/73/62/203057362.db2.gz YKXXENJNKSFGQZ-HNNXBMFYSA-N 2 1 316.449 2.232 40 0 DEABMP Cc1[nH+]ccn1C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019287743 182112762 /nfs/dbraw/zinc/11/27/62/182112762.db2.gz ZFUQJLBEIJNEON-LSDHHAIUSA-N 2 1 306.454 2.208 40 0 DEABMP C[NH+](C)CCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000006882413 401733538 /nfs/dbraw/zinc/73/35/38/401733538.db2.gz LMAYCZDKFHIJDA-UHFFFAOYSA-N 2 1 321.465 2.021 40 0 DEABMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000078578596 401856679 /nfs/dbraw/zinc/85/66/79/401856679.db2.gz RYTGIBACXOVGPY-MRXNPFEDSA-N 2 1 312.417 2.139 40 0 DEABMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000078578596 401856680 /nfs/dbraw/zinc/85/66/80/401856680.db2.gz RYTGIBACXOVGPY-MRXNPFEDSA-N 2 1 312.417 2.139 40 0 DEABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000096052275 402051448 /nfs/dbraw/zinc/05/14/48/402051448.db2.gz YUIPJUFKZGTYBD-HOCLYGCPSA-N 2 1 310.463 2.060 40 0 DEABMP Cc1ccc(C[N@H+]2CCc3ncc(C[NH+](C)C)n3CC2)s1 ZINC000096196780 402067314 /nfs/dbraw/zinc/06/73/14/402067314.db2.gz HQWLCKVRYJSUKB-UHFFFAOYSA-N 2 1 304.463 2.373 40 0 DEABMP Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+](C)C)n3CC2)s1 ZINC000096196780 402067316 /nfs/dbraw/zinc/06/73/16/402067316.db2.gz HQWLCKVRYJSUKB-UHFFFAOYSA-N 2 1 304.463 2.373 40 0 DEABMP [NH3+]CC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000100337132 402140781 /nfs/dbraw/zinc/14/07/81/402140781.db2.gz VHONRWKVLKYBPO-SJORKVTESA-N 2 1 301.434 2.037 40 0 DEABMP CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000107739527 402239716 /nfs/dbraw/zinc/23/97/16/402239716.db2.gz ZMLABWUUYFWIMN-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccco3)C2)O1 ZINC000107739527 402239718 /nfs/dbraw/zinc/23/97/18/402239718.db2.gz ZMLABWUUYFWIMN-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000107739527 402239721 /nfs/dbraw/zinc/23/97/21/402239721.db2.gz ZMLABWUUYFWIMN-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000107739527 402239724 /nfs/dbraw/zinc/23/97/24/402239724.db2.gz ZMLABWUUYFWIMN-MSOLQXFVSA-N 2 1 322.449 2.370 40 0 DEABMP Cc1nnc2n1C1(CC[NH+](Cc3cccs3)CC1)C[N@H+](C)C2 ZINC000306124259 231083865 /nfs/dbraw/zinc/08/38/65/231083865.db2.gz BKVJWIHOYYFYAH-UHFFFAOYSA-N 2 1 317.462 2.085 40 0 DEABMP Cc1nnc2n1C1(CC[NH+](Cc3cccs3)CC1)C[N@@H+](C)C2 ZINC000306124259 231083867 /nfs/dbraw/zinc/08/38/67/231083867.db2.gz BKVJWIHOYYFYAH-UHFFFAOYSA-N 2 1 317.462 2.085 40 0 DEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)s1 ZINC000096051935 402052093 /nfs/dbraw/zinc/05/20/93/402052093.db2.gz FOPSIGWHEHBWMQ-WBVHZDCISA-N 2 1 324.490 2.226 40 0 DEABMP COCC[NH+]1CCC2(CC1)C[N@@H+](CC1CC1)Cc1cccnc12 ZINC000306134634 403950956 /nfs/dbraw/zinc/95/09/56/403950956.db2.gz NTWCQEPXCWUYRJ-UHFFFAOYSA-N 2 1 315.461 2.287 40 0 DEABMP