smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCc1ccc(C[NH+]2CCOCC2)o1 ZINC000016942761 398309193 /nfs/dbraw/zinc/30/91/93/398309193.db2.gz BDAGZOKLAURWHU-UHFFFAOYSA-N 2 2 210.277 0.613 40 0 BCABLP O=N[N+](=O)[C@H]1CCCCC1[NH+]1CCOCC1 ZINC000016957313 342917895 /nfs/dbraw/zinc/91/78/95/342917895.db2.gz HHUUFRZTQZFING-JTQLQIEISA-N 2 2 229.280 0.085 40 0 BCABLP C[NH+](C)CCO[C@H]1OC[N@@H+](C)CC1(C)C ZINC000031761362 343223873 /nfs/dbraw/zinc/22/38/73/343223873.db2.gz BGECJYXYCYDGBG-JTQLQIEISA-N 2 2 216.325 0.836 40 0 BCABLP CC[NH+](CC)CC[NH2+]C[C@H](C)C(=O)OC ZINC000035133480 343285574 /nfs/dbraw/zinc/28/55/74/343285574.db2.gz NSCREFNJUPCRIA-JTQLQIEISA-N 2 2 216.325 0.727 40 0 BCABLP COC(=O)C[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000047219163 343559858 /nfs/dbraw/zinc/55/98/58/343559858.db2.gz NBHLIWJPVRUEJC-SNVBAGLBSA-N 2 2 214.309 0.623 40 0 BCABLP C[NH2+][C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000050269857 259369666 /nfs/dbraw/zinc/36/96/66/259369666.db2.gz MPHMEMJPCGSJKD-SECBINFHSA-N 2 2 210.277 0.923 40 0 BCABLP CC(C)CCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754685 343779485 /nfs/dbraw/zinc/77/94/85/343779485.db2.gz JOIJLNOJHWQKRU-UHFFFAOYSA-N 2 2 227.352 0.572 40 0 BCABLP CNc1cc(NCC[NH+]2CCOCC2)nc[nH+]1 ZINC000128600634 343787707 /nfs/dbraw/zinc/78/77/07/343787707.db2.gz GYVKOUUDFVDJBE-UHFFFAOYSA-N 2 2 237.307 0.262 40 0 BCABLP CCO[C@@H]1C[N@H+](CC[NH3+])C[C@@H]1OCC ZINC000409432099 343824975 /nfs/dbraw/zinc/82/49/75/343824975.db2.gz KVQJBSRVOCUECK-AOOOYVTPSA-N 2 2 202.298 0.071 40 0 BCABLP CCO[C@@H]1C[N@@H+](CC[NH3+])C[C@@H]1OCC ZINC000409432099 343824977 /nfs/dbraw/zinc/82/49/77/343824977.db2.gz KVQJBSRVOCUECK-AOOOYVTPSA-N 2 2 202.298 0.071 40 0 BCABLP COC[C@@H]1C[N@H+](CC(=[NH2+])NO)C[C@H]1C ZINC000409429187 343805067 /nfs/dbraw/zinc/80/50/67/343805067.db2.gz OBZHUIZZQIPULA-SFYZADRCSA-N 2 2 201.270 0.157 40 0 BCABLP COC[C@@H]1C[N@@H+](CC(=[NH2+])NO)C[C@H]1C ZINC000409429187 343805069 /nfs/dbraw/zinc/80/50/69/343805069.db2.gz OBZHUIZZQIPULA-SFYZADRCSA-N 2 2 201.270 0.157 40 0 BCABLP CO[C@H]1CCO[C@]2(CCC[N@H+](CC[NH3+])C2)C1 ZINC000409435170 343832722 /nfs/dbraw/zinc/83/27/22/343832722.db2.gz SSDXOMXWCOYHEE-NWDGAFQWSA-N 2 2 228.336 0.605 40 0 BCABLP CO[C@H]1CCO[C@]2(CCC[N@@H+](CC[NH3+])C2)C1 ZINC000409435170 343832723 /nfs/dbraw/zinc/83/27/23/343832723.db2.gz SSDXOMXWCOYHEE-NWDGAFQWSA-N 2 2 228.336 0.605 40 0 BCABLP CC(C)C[C@H]1C[N@H+](CC[NH3+])CC[C@H]1O ZINC000409436053 343836899 /nfs/dbraw/zinc/83/68/99/343836899.db2.gz XVWTZXVRMHWTGH-WDEREUQCSA-N 2 2 200.326 0.674 40 0 BCABLP CC(C)C[C@H]1C[N@@H+](CC[NH3+])CC[C@H]1O ZINC000409436053 343836902 /nfs/dbraw/zinc/83/69/02/343836902.db2.gz XVWTZXVRMHWTGH-WDEREUQCSA-N 2 2 200.326 0.674 40 0 BCABLP C[NH2+]CC(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000585181405 344278048 /nfs/dbraw/zinc/27/80/48/344278048.db2.gz BVBALXBXPKGYRG-VIFPVBQESA-N 2 2 222.292 0.253 40 0 BCABLP CC(C)([NH3+])c1noc(C[NH+]2CCCC2)n1 ZINC000043401963 188042682 /nfs/dbraw/zinc/04/26/82/188042682.db2.gz GGWWTZDHBYGLPI-UHFFFAOYSA-N 2 2 210.281 0.859 40 0 BCABLP CC(=O)N(CC1CC[NH+](CC[NH3+])CC1)C(C)C ZINC000079416834 188292021 /nfs/dbraw/zinc/29/20/21/188292021.db2.gz NZAMIOOWRQNOSU-UHFFFAOYSA-N 2 2 241.379 0.914 40 0 BCABLP CC(=O)N1CC[C@@H]([N@H+](CC[NH3+])C2CC2)C1 ZINC000079405709 188292328 /nfs/dbraw/zinc/29/23/28/188292328.db2.gz MVHUJJUHDDLCOZ-LLVKDONJSA-N 2 2 211.309 0.030 40 0 BCABLP CC(=O)N1CC[C@@H]([N@@H+](CC[NH3+])C2CC2)C1 ZINC000079405709 188292330 /nfs/dbraw/zinc/29/23/30/188292330.db2.gz MVHUJJUHDDLCOZ-LLVKDONJSA-N 2 2 211.309 0.030 40 0 BCABLP CCN(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(C)=O ZINC000079416764 384139615 /nfs/dbraw/zinc/13/96/15/384139615.db2.gz YRIYKRMMITZJDZ-GFCCVEGCSA-N 2 2 227.352 0.526 40 0 BCABLP CCN(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(C)=O ZINC000079416764 384139617 /nfs/dbraw/zinc/13/96/17/384139617.db2.gz YRIYKRMMITZJDZ-GFCCVEGCSA-N 2 2 227.352 0.526 40 0 BCABLP CC(=O)N(C1CC1)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416857 384139948 /nfs/dbraw/zinc/13/99/48/384139948.db2.gz TTXFNAAJCMVLLX-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N(C1CC1)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416857 384139955 /nfs/dbraw/zinc/13/99/55/384139955.db2.gz TTXFNAAJCMVLLX-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP c1cn(C[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c[nH+]1 ZINC000107257560 384389643 /nfs/dbraw/zinc/38/96/43/384389643.db2.gz AIMYDOCETLBOBD-DCAQKATOSA-N 2 2 207.277 0.650 40 0 BCABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)C[NH3+])C2)[nH+]1 ZINC000257304598 385760362 /nfs/dbraw/zinc/76/03/62/385760362.db2.gz SMIZREMUKJDQKA-SECBINFHSA-N 2 2 222.292 0.383 40 0 BCABLP C[NH+]1CCN(c2cc[nH+]cc2C[NH3+])CC1 ZINC000088114682 386826198 /nfs/dbraw/zinc/82/61/98/386826198.db2.gz IQQDKPASLWCQGD-UHFFFAOYSA-N 3 2 206.293 0.292 40 0 BCABLP c1cn(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c[nH+]1 ZINC000096240696 387023643 /nfs/dbraw/zinc/02/36/43/387023643.db2.gz DLQBTNVICVZLOG-VXGBXAGGSA-N 2 2 237.303 0.278 40 0 BCABLP O=C1CCC[C@@]2(C[NH2+]CC[N@H+](CC3CC3)C2)N1 ZINC000096238340 387023858 /nfs/dbraw/zinc/02/38/58/387023858.db2.gz IEDRWUBZGWCTCY-ZDUSSCGKSA-N 2 2 237.347 0.341 40 0 BCABLP O=C1CCC[C@@]2(C[NH2+]CC[N@@H+](CC3CC3)C2)N1 ZINC000096238340 387023863 /nfs/dbraw/zinc/02/38/63/387023863.db2.gz IEDRWUBZGWCTCY-ZDUSSCGKSA-N 2 2 237.347 0.341 40 0 BCABLP C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[NH2+]1 ZINC000079439505 388695691 /nfs/dbraw/zinc/69/56/91/388695691.db2.gz PSADSZVRLJWYRX-VIFPVBQESA-N 2 2 233.319 0.849 40 0 BCABLP CCN(CC)c1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000040434353 132347580 /nfs/dbraw/zinc/34/75/80/132347580.db2.gz GNYWDAVVUHZZPL-UHFFFAOYSA-N 2 2 235.335 0.732 40 0 BCABLP C[C@@H]([C@@H]1CCC[N@@H+]1CC[NH3+])n1cccn1 ZINC000022763100 176012197 /nfs/dbraw/zinc/01/21/97/176012197.db2.gz MPSQJZDDRRZRKC-QWRGUYRKSA-N 2 2 208.309 0.867 40 0 BCABLP C[C@@H]([C@@H]1CCC[N@H+]1CC[NH3+])n1cccn1 ZINC000022763100 176012198 /nfs/dbraw/zinc/01/21/98/176012198.db2.gz MPSQJZDDRRZRKC-QWRGUYRKSA-N 2 2 208.309 0.867 40 0 BCABLP Cc1c(C[NH2+]CCC[NH+](C)C)cnn1C ZINC000086551878 177590634 /nfs/dbraw/zinc/59/06/34/177590634.db2.gz DOJCGGYYGRIYDK-UHFFFAOYSA-N 2 2 210.325 0.770 40 0 BCABLP CC[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000074934101 631247379 /nfs/dbraw/zinc/24/73/79/631247379.db2.gz AKMBLTKZTVKROS-UHFFFAOYSA-N 2 2 221.308 0.509 40 0 BCABLP Cc1cc(N2CC[NH+](C)CC2)[nH+]cc1CCO ZINC000072223616 259321545 /nfs/dbraw/zinc/32/15/45/259321545.db2.gz JWTYIIJHSQJSAC-UHFFFAOYSA-N 2 2 235.331 0.677 40 0 BCABLP C[NH+](C)[C@H]1C[NH2+]CC[C@H]1C(=O)N1CCCC1 ZINC000217683919 398323119 /nfs/dbraw/zinc/32/31/19/398323119.db2.gz BMJMNEZCRSMWQM-MNOVXSKESA-N 2 2 225.336 0.149 40 0 BCABLP CC(=O)N(C)C[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416721 187263243 /nfs/dbraw/zinc/26/32/43/187263243.db2.gz NDWVVHXMBVBTDG-NSHDSACASA-N 2 2 213.325 0.135 40 0 BCABLP CC(=O)N(C)C[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416721 187263245 /nfs/dbraw/zinc/26/32/45/187263245.db2.gz NDWVVHXMBVBTDG-NSHDSACASA-N 2 2 213.325 0.135 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079416840 187263555 /nfs/dbraw/zinc/26/35/55/187263555.db2.gz YBFODSMBDPFQOW-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@H+]1CC[NH3+])C1CC1 ZINC000079416840 187263557 /nfs/dbraw/zinc/26/35/57/187263557.db2.gz YBFODSMBDPFQOW-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP COC(=O)C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000047219182 343559877 /nfs/dbraw/zinc/55/98/77/343559877.db2.gz MRWFKEWXZRIKRF-JTQLQIEISA-N 2 2 225.292 0.814 40 0 BCABLP C[NH+]1CCN(c2cc(N)[nH+]c(C3CC3)n2)CC1 ZINC000126860751 343786708 /nfs/dbraw/zinc/78/67/08/343786708.db2.gz DIHRFPOWDZHIBW-UHFFFAOYSA-N 2 2 233.319 0.688 40 0 BCABLP OCC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000409426449 343797926 /nfs/dbraw/zinc/79/79/26/343797926.db2.gz ICNMQKIIGMPYJN-UHFFFAOYSA-N 2 2 230.377 0.492 40 0 BCABLP COC[C@@H]1C[N@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409426644 343798584 /nfs/dbraw/zinc/79/85/84/343798584.db2.gz CTFQOCXLMBUNPP-JGVFFNPUSA-N 2 2 226.242 0.702 40 0 BCABLP COC[C@@H]1C[N@@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409426644 343798585 /nfs/dbraw/zinc/79/85/85/343798585.db2.gz CTFQOCXLMBUNPP-JGVFFNPUSA-N 2 2 226.242 0.702 40 0 BCABLP CN(C)c1cc(N2CCCC[C@@H]2C[NH3+])nc[nH+]1 ZINC000258768817 345786192 /nfs/dbraw/zinc/78/61/92/345786192.db2.gz QIMFQPMXAIOUQZ-SNVBAGLBSA-N 2 2 235.335 0.860 40 0 BCABLP CNc1cc(N2CCC[N@H+](C)CC2)nc[nH+]1 ZINC000087806492 345942320 /nfs/dbraw/zinc/94/23/20/345942320.db2.gz RJJZJOBTWCCCHU-UHFFFAOYSA-N 2 2 221.308 0.660 40 0 BCABLP CNc1cc(N2CCC[N@@H+](C)CC2)nc[nH+]1 ZINC000087806492 345942322 /nfs/dbraw/zinc/94/23/22/345942322.db2.gz RJJZJOBTWCCCHU-UHFFFAOYSA-N 2 2 221.308 0.660 40 0 BCABLP c1cncc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC000220009013 363142406 /nfs/dbraw/zinc/14/24/06/363142406.db2.gz PKYPTEIGVZSAIT-UHFFFAOYSA-N 2 2 203.289 0.877 40 0 BCABLP c1cncc(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC000220009013 363142410 /nfs/dbraw/zinc/14/24/10/363142410.db2.gz PKYPTEIGVZSAIT-UHFFFAOYSA-N 2 2 203.289 0.877 40 0 BCABLP CC(=O)N(C(C)C)C1CC[NH+](CC[NH3+])CC1 ZINC000079416817 187944048 /nfs/dbraw/zinc/94/40/48/187944048.db2.gz QIVMNBVIBVQOCN-UHFFFAOYSA-N 2 2 227.352 0.666 40 0 BCABLP c1nc(N2CC[NH2+]CC2)cc(NCC2CC2)[nH+]1 ZINC000117068299 359824010 /nfs/dbraw/zinc/82/40/10/359824010.db2.gz RIMPIHJVUNQMQN-UHFFFAOYSA-N 2 2 233.319 0.708 40 0 BCABLP [NH3+]C[C@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000257334307 181470876 /nfs/dbraw/zinc/47/08/76/181470876.db2.gz YFJRAGWEKLGIDV-CYBMUJFWSA-N 2 2 244.298 0.530 40 0 BCABLP CC(=O)N1CCCC[C@H]1C[N@H+](CC[NH3+])C1CC1 ZINC000079405761 384137206 /nfs/dbraw/zinc/13/72/06/384137206.db2.gz PGFNTCULYZECHC-ZDUSSCGKSA-N 2 2 239.363 0.811 40 0 BCABLP CC(=O)N1CCCC[C@H]1C[N@@H+](CC[NH3+])C1CC1 ZINC000079405761 384137212 /nfs/dbraw/zinc/13/72/12/384137212.db2.gz PGFNTCULYZECHC-ZDUSSCGKSA-N 2 2 239.363 0.811 40 0 BCABLP CC[N@H+](CC[NH3+])C[C@H]1CCCCN1C(C)=O ZINC000079405632 384132990 /nfs/dbraw/zinc/13/29/90/384132990.db2.gz PGVFCKMQKRDSAJ-GFCCVEGCSA-N 2 2 227.352 0.668 40 0 BCABLP CC[N@@H+](CC[NH3+])C[C@H]1CCCCN1C(C)=O ZINC000079405632 384132994 /nfs/dbraw/zinc/13/29/94/384132994.db2.gz PGVFCKMQKRDSAJ-GFCCVEGCSA-N 2 2 227.352 0.668 40 0 BCABLP CC(=O)N(C[C@@H]1CC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079416846 384139915 /nfs/dbraw/zinc/13/99/15/384139915.db2.gz ZHSJKXRQGMKCOP-LLVKDONJSA-N 2 2 225.336 0.278 40 0 BCABLP CC(=O)N(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079416846 384139918 /nfs/dbraw/zinc/13/99/18/384139918.db2.gz ZHSJKXRQGMKCOP-LLVKDONJSA-N 2 2 225.336 0.278 40 0 BCABLP COC[C@H]1C[NH2+]CC[N@H+](Cc2cccnc2)C1 ZINC000072354445 384210760 /nfs/dbraw/zinc/21/07/60/384210760.db2.gz YIIWYKYCMFFQFL-ZDUSSCGKSA-N 2 2 235.331 0.749 40 0 BCABLP COC[C@H]1C[NH2+]CC[N@@H+](Cc2cccnc2)C1 ZINC000072354445 384210761 /nfs/dbraw/zinc/21/07/61/384210761.db2.gz YIIWYKYCMFFQFL-ZDUSSCGKSA-N 2 2 235.331 0.749 40 0 BCABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000096523497 385268894 /nfs/dbraw/zinc/26/88/94/385268894.db2.gz PQXQHPYCMPOTST-NSHDSACASA-N 2 2 222.336 0.992 40 0 BCABLP Cc1n[nH]c(C)c1CCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000096523497 385268900 /nfs/dbraw/zinc/26/89/00/385268900.db2.gz PQXQHPYCMPOTST-NSHDSACASA-N 2 2 222.336 0.992 40 0 BCABLP Nc1c[nH+]ccc1OCC[NH+]1CCOCC1 ZINC000095098143 385486090 /nfs/dbraw/zinc/48/60/90/385486090.db2.gz SPCPKOTZKFXRMA-UHFFFAOYSA-N 2 2 223.276 0.375 40 0 BCABLP C[NH+](C)Cc1cnc([C@H]2C[NH2+]CCO2)[nH]1 ZINC000257257849 385759304 /nfs/dbraw/zinc/75/93/04/385759304.db2.gz KRHWIQRVMXERLF-SECBINFHSA-N 2 2 210.281 0.132 40 0 BCABLP C[NH+](C)Cc1c[nH]c([C@H]2C[NH2+]CCO2)n1 ZINC000257257849 385759309 /nfs/dbraw/zinc/75/93/09/385759309.db2.gz KRHWIQRVMXERLF-SECBINFHSA-N 2 2 210.281 0.132 40 0 BCABLP Cc1c[nH]c([C@H]2CCN(C(=O)CC[NH3+])C2)[nH+]1 ZINC000257286155 385761785 /nfs/dbraw/zinc/76/17/85/385761785.db2.gz PKNJWNVTLWZZQZ-VIFPVBQESA-N 2 2 222.292 0.383 40 0 BCABLP C(C[NH+]1CCOCC1)N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218840208 386186694 /nfs/dbraw/zinc/18/66/94/386186694.db2.gz ZDHPVWWAWRIVMT-QWHCGFSZSA-N 2 2 239.363 0.145 40 0 BCABLP c1cn([C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c[nH+]1 ZINC000096223750 387019687 /nfs/dbraw/zinc/01/96/87/387019687.db2.gz JTDLUVWCGALWFA-QWRGUYRKSA-N 2 2 207.277 0.967 40 0 BCABLP c1c(CNc2cccc[nH+]2)nc2n1CC[NH2+]C2 ZINC000096197515 387021984 /nfs/dbraw/zinc/02/19/84/387021984.db2.gz XEKDKOZIOFVGKD-UHFFFAOYSA-N 2 2 229.287 0.993 40 0 BCABLP Cn1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000036901234 387846953 /nfs/dbraw/zinc/84/69/53/387846953.db2.gz KSPWCVHSIGCPBK-UHFFFAOYSA-N 2 2 238.335 0.232 40 0 BCABLP [NH3+][C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439332 388696446 /nfs/dbraw/zinc/69/64/46/388696446.db2.gz AHHCFMHWJDZCDF-VIFPVBQESA-N 2 2 233.319 0.978 40 0 BCABLP C[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000011957955 132320945 /nfs/dbraw/zinc/32/09/45/132320945.db2.gz UZHXBSXJWIVPEW-JTQLQIEISA-N 2 2 234.303 0.077 40 0 BCABLP CN(C)C(=O)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC000096227983 172364096 /nfs/dbraw/zinc/36/40/96/172364096.db2.gz DNMZRLMNXNXHBL-UHFFFAOYSA-N 2 2 225.336 0.293 40 0 BCABLP C[N@@H+]1CCCC[C@@H]1c1nnc(CC[NH3+])o1 ZINC000095828877 173006391 /nfs/dbraw/zinc/00/63/91/173006391.db2.gz TYFPDPDTHUSSBE-MRVPVSSYSA-N 2 2 210.281 0.728 40 0 BCABLP C[N@H+]1CCCC[C@@H]1c1nnc(CC[NH3+])o1 ZINC000095828877 173006395 /nfs/dbraw/zinc/00/63/95/173006395.db2.gz TYFPDPDTHUSSBE-MRVPVSSYSA-N 2 2 210.281 0.728 40 0 BCABLP C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000257198257 173037578 /nfs/dbraw/zinc/03/75/78/173037578.db2.gz XKGMJJHCFRTVPE-MRVPVSSYSA-N 2 2 207.281 0.148 40 0 BCABLP C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000257198257 173037581 /nfs/dbraw/zinc/03/75/81/173037581.db2.gz XKGMJJHCFRTVPE-MRVPVSSYSA-N 2 2 207.281 0.148 40 0 BCABLP COc1cc[nH+]c(CN2CC[NH2+]CC2)c1OC ZINC000083129725 175359135 /nfs/dbraw/zinc/35/91/35/175359135.db2.gz JMSFPYIRNSEJSG-UHFFFAOYSA-N 2 2 237.303 0.504 40 0 BCABLP C[C@@H](c1cnccn1)[NH+]1CCC([NH3+])CC1 ZINC000070026251 176036164 /nfs/dbraw/zinc/03/61/64/176036164.db2.gz PWNCOMMDMWJVDS-VIFPVBQESA-N 2 2 206.293 0.961 40 0 BCABLP CC[NH+](CC)CCn1ncc2c1nc[nH+]c2N ZINC000001562363 342703181 /nfs/dbraw/zinc/70/31/81/342703181.db2.gz TXPDXDQEOLGUMM-UHFFFAOYSA-N 2 2 234.307 0.750 40 0 in-vitro BCABLP C[NH+](C)[C@@H]1C[NH2+]CC[C@@H]1C(=O)N1CCCC1 ZINC000217683675 398323139 /nfs/dbraw/zinc/32/31/39/398323139.db2.gz BMJMNEZCRSMWQM-WDEREUQCSA-N 2 2 225.336 0.149 40 0 BCABLP Cc1cc(N2CCC2)nc(N2CC[NH2+]CC2)[nH+]1 ZINC000026472233 343776929 /nfs/dbraw/zinc/77/69/29/343776929.db2.gz MEMDOSLQKDNIFA-UHFFFAOYSA-N 2 2 233.319 0.405 40 0 BCABLP Cc1nc(NCC[NH+]2CCOCC2)cc(N)[nH+]1 ZINC000128599698 343787435 /nfs/dbraw/zinc/78/74/35/343787435.db2.gz MWWMBCLQAJTWCL-UHFFFAOYSA-N 2 2 237.307 0.111 40 0 BCABLP CC(=O)N1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000300766311 343796542 /nfs/dbraw/zinc/79/65/42/343796542.db2.gz SLFOAQSFNHAYNE-NSHDSACASA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000300766311 343796545 /nfs/dbraw/zinc/79/65/45/343796545.db2.gz SLFOAQSFNHAYNE-NSHDSACASA-N 2 2 225.336 0.420 40 0 BCABLP Cc1cc(N(C)C)nc(N2CCC[NH2+]CC2)[nH+]1 ZINC000409426537 343798052 /nfs/dbraw/zinc/79/80/52/343798052.db2.gz FFQOEBFLPZBXMV-UHFFFAOYSA-N 2 2 235.335 0.651 40 0 BCABLP Cn1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000409431108 343809668 /nfs/dbraw/zinc/80/96/68/343809668.db2.gz RYRLKVHSHSSAFU-SNVBAGLBSA-N 2 2 208.309 0.558 40 0 BCABLP Cn1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000409431108 343809670 /nfs/dbraw/zinc/80/96/70/343809670.db2.gz RYRLKVHSHSSAFU-SNVBAGLBSA-N 2 2 208.309 0.558 40 0 BCABLP CO[C@H]1CCO[C@@]2(CCC[N@H+](CC[NH3+])C2)C1 ZINC000409435171 343832696 /nfs/dbraw/zinc/83/26/96/343832696.db2.gz SSDXOMXWCOYHEE-RYUDHWBXSA-N 2 2 228.336 0.605 40 0 BCABLP CO[C@H]1CCO[C@@]2(CCC[N@@H+](CC[NH3+])C2)C1 ZINC000409435171 343832698 /nfs/dbraw/zinc/83/26/98/343832698.db2.gz SSDXOMXWCOYHEE-RYUDHWBXSA-N 2 2 228.336 0.605 40 0 BCABLP CNc1cc(N2CCCC[C@H]2C[NH3+])nc[nH+]1 ZINC000258860934 345786260 /nfs/dbraw/zinc/78/62/60/345786260.db2.gz ZYDHHBMWPNLFRK-VIFPVBQESA-N 2 2 221.308 0.836 40 0 BCABLP CCCNc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000087831186 345939978 /nfs/dbraw/zinc/93/99/78/345939978.db2.gz XLDQIOKQWMSTKS-UHFFFAOYSA-N 2 2 221.308 0.708 40 0 BCABLP COc1ccc(OC)c(C[NH2+]CC[NH3+])c1 ZINC000037712556 323107868 /nfs/dbraw/zinc/10/78/68/323107868.db2.gz NZUHMVQFQBKCBP-UHFFFAOYSA-N 2 2 210.277 0.752 40 0 BCABLP Cc1nn(C)c(C)c1CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000096523904 180335896 /nfs/dbraw/zinc/33/58/96/180335896.db2.gz VBVYTUMNDYMFMW-SECBINFHSA-N 2 2 224.352 0.858 40 0 BCABLP Cc1nn(C)c(C)c1CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000096523904 180335898 /nfs/dbraw/zinc/33/58/98/180335898.db2.gz VBVYTUMNDYMFMW-SECBINFHSA-N 2 2 224.352 0.858 40 0 BCABLP CC(=O)N(C)C[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000079416709 188291450 /nfs/dbraw/zinc/29/14/50/188291450.db2.gz HTEYTKZXOBPTAU-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N(C)C[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000079416709 188291452 /nfs/dbraw/zinc/29/14/52/188291452.db2.gz HTEYTKZXOBPTAU-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP c1c(C[NH+]2CCCCC2)nc2n1CC[NH2+]C2 ZINC000096067975 183322116 /nfs/dbraw/zinc/32/21/16/183322116.db2.gz SESSYWWTROCVDE-UHFFFAOYSA-N 2 2 220.320 0.972 40 0 BCABLP CCC[N@@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000096228933 169204120 /nfs/dbraw/zinc/20/41/20/169204120.db2.gz VAVXHJDWXXNYET-NSHDSACASA-N 2 2 214.309 0.087 40 0 BCABLP CCC[N@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000096228933 169204121 /nfs/dbraw/zinc/20/41/21/169204121.db2.gz VAVXHJDWXXNYET-NSHDSACASA-N 2 2 214.309 0.087 40 0 BCABLP CCC[N@@H+]1CCc2nc(NN)[nH+]cc2C1 ZINC000049474159 169207866 /nfs/dbraw/zinc/20/78/66/169207866.db2.gz AKBBSLDAOUQQKT-UHFFFAOYSA-N 2 2 207.281 0.530 40 0 BCABLP CCC[N@H+]1CCc2nc(NN)[nH+]cc2C1 ZINC000049474159 169207868 /nfs/dbraw/zinc/20/78/68/169207868.db2.gz AKBBSLDAOUQQKT-UHFFFAOYSA-N 2 2 207.281 0.530 40 0 BCABLP CC[N@H+](CC[NH3+])C[C@@H]1CCCN1C(C)=O ZINC000079405596 384133228 /nfs/dbraw/zinc/13/32/28/384133228.db2.gz JWJQPEPCFLVXRT-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CC[N@@H+](CC[NH3+])C[C@@H]1CCCN1C(C)=O ZINC000079405596 384133232 /nfs/dbraw/zinc/13/32/32/384133232.db2.gz JWJQPEPCFLVXRT-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CC(C)(C)OC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000079408306 384137546 /nfs/dbraw/zinc/13/75/46/384137546.db2.gz OKJWSGAHIGPUIG-UHFFFAOYSA-N 2 2 243.351 0.934 40 0 BCABLP c1cn(C[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)c[nH+]1 ZINC000107257564 384389659 /nfs/dbraw/zinc/38/96/59/384389659.db2.gz AIMYDOCETLBOBD-AXFHLTTASA-N 2 2 207.277 0.650 40 0 BCABLP CCOC(=O)[C@H](C[NH3+])C(C)(C)[NH+]1CCOCC1 ZINC000072210413 385068865 /nfs/dbraw/zinc/06/88/65/385068865.db2.gz ONHMOHSIGMNEJT-JTQLQIEISA-N 2 2 244.335 0.235 40 0 BCABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000096523498 385266323 /nfs/dbraw/zinc/26/63/23/385266323.db2.gz PQXQHPYCMPOTST-LLVKDONJSA-N 2 2 222.336 0.992 40 0 BCABLP Cc1n[nH]c(C)c1CCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000096523498 385266332 /nfs/dbraw/zinc/26/63/32/385266332.db2.gz PQXQHPYCMPOTST-LLVKDONJSA-N 2 2 222.336 0.992 40 0 BCABLP CNc1cc([C@@H]2CCCN(C(=O)C[NH3+])C2)cc[nH+]1 ZINC000257241259 385754783 /nfs/dbraw/zinc/75/47/83/385754783.db2.gz HXIVXYWLXOTCCN-LLVKDONJSA-N 2 2 248.330 0.788 40 0 BCABLP C[NH2+][C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257236137 385755494 /nfs/dbraw/zinc/75/54/94/385755494.db2.gz HAYFRNRJZRYQLO-WYUUTHIRSA-N 2 2 222.288 0.114 40 0 BCABLP Cc1c[nH]c([C@@H]2CCN(C(=O)CC[NH3+])C2)[nH+]1 ZINC000257286154 385760190 /nfs/dbraw/zinc/76/01/90/385760190.db2.gz PKNJWNVTLWZZQZ-SECBINFHSA-N 2 2 222.292 0.383 40 0 BCABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[NH2+]CC1 ZINC000257310071 385761817 /nfs/dbraw/zinc/76/18/17/385761817.db2.gz UDOGHXOTCUVMEJ-LLVKDONJSA-N 2 2 235.291 0.088 40 0 BCABLP Nc1nc2c(c(N)[nH+]1)C[C@]1(CCC[NH2+]CC1)O2 ZINC000257310071 385761822 /nfs/dbraw/zinc/76/18/22/385761822.db2.gz UDOGHXOTCUVMEJ-LLVKDONJSA-N 2 2 235.291 0.088 40 0 BCABLP c1cn([C@H]2CO[C@]3(C2)CCC[NH2+]C3)c[nH+]1 ZINC000096223748 387020221 /nfs/dbraw/zinc/02/02/21/387020221.db2.gz JTDLUVWCGALWFA-MNOVXSKESA-N 2 2 207.277 0.967 40 0 BCABLP c1cn(C[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)c[nH+]1 ZINC000096250342 387026848 /nfs/dbraw/zinc/02/68/48/387026848.db2.gz AIMYDOCETLBOBD-HBNTYKKESA-N 2 2 207.277 0.650 40 0 BCABLP c1cn(Cc2noc3c2C[NH2+]CC3)c[nH+]1 ZINC000306128499 388629571 /nfs/dbraw/zinc/62/95/71/388629571.db2.gz HCGOIOQQUOWMAH-UHFFFAOYSA-N 2 2 204.233 0.565 40 0 BCABLP c1nc(N2CC[NH2+]CC2)cc(NC2CC2)[nH+]1 ZINC000044029875 132353718 /nfs/dbraw/zinc/35/37/18/132353718.db2.gz BJPJYXXTOUXYMK-UHFFFAOYSA-N 2 2 219.292 0.461 40 0 BCABLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000261547988 135240846 /nfs/dbraw/zinc/24/08/46/135240846.db2.gz MYSXFRVBINURCD-UHFFFAOYSA-N 2 2 208.309 0.822 40 0 BCABLP Cc1n[nH]c(C)c1C[N@H+]1CCC[NH2+]CC1 ZINC000261547988 135240847 /nfs/dbraw/zinc/24/08/47/135240847.db2.gz MYSXFRVBINURCD-UHFFFAOYSA-N 2 2 208.309 0.822 40 0 BCABLP CC[N@@H+]1CCc2[nH+]c(NN)nc(C)c2C1 ZINC000049474131 170024904 /nfs/dbraw/zinc/02/49/04/170024904.db2.gz NWYCOOCNURMCLV-UHFFFAOYSA-N 2 2 207.281 0.449 40 0 BCABLP CC[N@H+]1CCc2[nH+]c(NN)nc(C)c2C1 ZINC000049474131 170024905 /nfs/dbraw/zinc/02/49/05/170024905.db2.gz NWYCOOCNURMCLV-UHFFFAOYSA-N 2 2 207.281 0.449 40 0 BCABLP C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096218198 173104665 /nfs/dbraw/zinc/10/46/65/173104665.db2.gz LRILETPHWFKTTC-GXTWGEPZSA-N 2 2 247.342 0.844 40 0 BCABLP C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096218198 173104666 /nfs/dbraw/zinc/10/46/66/173104666.db2.gz LRILETPHWFKTTC-GXTWGEPZSA-N 2 2 247.342 0.844 40 0 BCABLP C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096218198 173104667 /nfs/dbraw/zinc/10/46/67/173104667.db2.gz LRILETPHWFKTTC-GXTWGEPZSA-N 2 2 247.342 0.844 40 0 BCABLP C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096218198 173104668 /nfs/dbraw/zinc/10/46/68/173104668.db2.gz LRILETPHWFKTTC-GXTWGEPZSA-N 2 2 247.342 0.844 40 0 BCABLP C[NH+]1CCCC[C@@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072374027 173176904 /nfs/dbraw/zinc/17/69/04/173176904.db2.gz RRKZRJNFAYRMEE-SNVBAGLBSA-N 2 2 235.335 0.880 40 0 BCABLP C[NH+]1CCCC[C@@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072374027 173176907 /nfs/dbraw/zinc/17/69/07/173176907.db2.gz RRKZRJNFAYRMEE-SNVBAGLBSA-N 2 2 235.335 0.880 40 0 BCABLP C[NH+]1CCn2c(nnc2[C@H]2CCCC[N@@H+]2C)C1 ZINC000072374027 173176908 /nfs/dbraw/zinc/17/69/08/173176908.db2.gz RRKZRJNFAYRMEE-SNVBAGLBSA-N 2 2 235.335 0.880 40 0 BCABLP C[NH+]1CCn2c(nnc2[C@H]2CCCC[N@H+]2C)C1 ZINC000072374027 173176909 /nfs/dbraw/zinc/17/69/09/173176909.db2.gz RRKZRJNFAYRMEE-SNVBAGLBSA-N 2 2 235.335 0.880 40 0 BCABLP COc1ccc(C[NH2+]CC[NH3+])cc1OC ZINC000038973125 175106823 /nfs/dbraw/zinc/10/68/23/175106823.db2.gz JXCJJECRFFGXJC-UHFFFAOYSA-N 2 2 210.277 0.752 40 0 BCABLP C[C@H]([C@H]1CCC[N@@H+]1CC[NH3+])n1cccn1 ZINC000022763112 177032049 /nfs/dbraw/zinc/03/20/49/177032049.db2.gz MPSQJZDDRRZRKC-GHMZBOCLSA-N 2 2 208.309 0.867 40 0 BCABLP C[C@H]([C@H]1CCC[N@H+]1CC[NH3+])n1cccn1 ZINC000022763112 177032051 /nfs/dbraw/zinc/03/20/51/177032051.db2.gz MPSQJZDDRRZRKC-GHMZBOCLSA-N 2 2 208.309 0.867 40 0 BCABLP C[C@H]1CCCCN1C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754732 177072244 /nfs/dbraw/zinc/07/22/44/177072244.db2.gz WWFSDNIBBFHJFW-NSHDSACASA-N 2 2 239.363 0.811 40 0 BCABLP COc1cccc(C[NH2+]CC[NH3+])c1OC ZINC000037712553 323107919 /nfs/dbraw/zinc/10/79/19/323107919.db2.gz MYYDJXSDECXQEK-UHFFFAOYSA-N 2 2 210.277 0.752 40 0 BCABLP CCc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000045950757 536146500 /nfs/dbraw/zinc/14/65/00/536146500.db2.gz JFSNZVXJPPURTL-UHFFFAOYSA-N 2 2 206.293 0.757 40 0 BCABLP Cc1[nH+]c(N2CC[NH+](C)CC2)ccc1CCO ZINC000072224661 259321728 /nfs/dbraw/zinc/32/17/28/259321728.db2.gz OILHMODKKIZDAP-UHFFFAOYSA-N 2 2 235.331 0.677 40 0 BCABLP CC(C)(C)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000020181733 342974550 /nfs/dbraw/zinc/97/45/50/342974550.db2.gz SBRZUURBTOSXPW-UHFFFAOYSA-N 2 2 227.352 0.526 40 0 BCABLP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000022015303 343035516 /nfs/dbraw/zinc/03/55/16/343035516.db2.gz YODDABYWEYCPEK-NXEZZACHSA-N 2 2 212.293 0.233 40 0 BCABLP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000022015303 343035517 /nfs/dbraw/zinc/03/55/17/343035517.db2.gz YODDABYWEYCPEK-NXEZZACHSA-N 2 2 212.293 0.233 40 0 BCABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccn1C ZINC000022076177 136277928 /nfs/dbraw/zinc/27/79/28/136277928.db2.gz SVAAVAORWHIWNH-JTQLQIEISA-N 2 2 211.309 0.085 40 0 BCABLP CCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049280631 343782195 /nfs/dbraw/zinc/78/21/95/343782195.db2.gz ITOCXBYCDXOCSL-LLVKDONJSA-N 2 2 227.352 0.573 40 0 BCABLP CCCCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049280631 343782198 /nfs/dbraw/zinc/78/21/98/343782198.db2.gz ITOCXBYCDXOCSL-LLVKDONJSA-N 2 2 227.352 0.573 40 0 BCABLP [NH3+][C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000107195152 343785644 /nfs/dbraw/zinc/78/56/44/343785644.db2.gz IFPWAJQWWZVHBL-VIFPVBQESA-N 2 2 204.277 0.891 40 0 BCABLP C[NH+]1C[C@H]2CN(c3cc(N)nc[nH+]3)C[C@@H]2C1 ZINC000409432032 343825105 /nfs/dbraw/zinc/82/51/05/343825105.db2.gz SQSGUNWPRZUINH-IUCAKERBSA-N 2 2 219.292 0.057 40 0 BCABLP COCc1cc2n(n1)C[C@@H](C)[N@H+](CCC[NH3+])C2 ZINC000409430010 343806988 /nfs/dbraw/zinc/80/69/88/343806988.db2.gz IDEQWIBOGSGYJN-SNVBAGLBSA-N 2 2 238.335 0.582 40 0 BCABLP COCc1cc2n(n1)C[C@@H](C)[N@@H+](CCC[NH3+])C2 ZINC000409430010 343806991 /nfs/dbraw/zinc/80/69/91/343806991.db2.gz IDEQWIBOGSGYJN-SNVBAGLBSA-N 2 2 238.335 0.582 40 0 BCABLP CO[C@@H]1CCO[C@@]2(CCC[N@H+](CC[NH3+])C2)C1 ZINC000409435169 343832754 /nfs/dbraw/zinc/83/27/54/343832754.db2.gz SSDXOMXWCOYHEE-NEPJUHHUSA-N 2 2 228.336 0.605 40 0 BCABLP CO[C@@H]1CCO[C@@]2(CCC[N@@H+](CC[NH3+])C2)C1 ZINC000409435169 343832757 /nfs/dbraw/zinc/83/27/57/343832757.db2.gz SSDXOMXWCOYHEE-NEPJUHHUSA-N 2 2 228.336 0.605 40 0 BCABLP CO[C@@H]1CCO[C@@]2(CC[N@H+](CC[NH3+])C2)C1 ZINC000409436123 343837521 /nfs/dbraw/zinc/83/75/21/343837521.db2.gz YGUKYQSWIUCBHE-MNOVXSKESA-N 2 2 214.309 0.215 40 0 BCABLP CO[C@@H]1CCO[C@@]2(CC[N@@H+](CC[NH3+])C2)C1 ZINC000409436123 343837523 /nfs/dbraw/zinc/83/75/23/343837523.db2.gz YGUKYQSWIUCBHE-MNOVXSKESA-N 2 2 214.309 0.215 40 0 BCABLP [NH3+]C1CN(Cc2cn3ccccc3[nH+]2)C1 ZINC000082595439 345909965 /nfs/dbraw/zinc/90/99/65/345909965.db2.gz NVLGSPYCOMXJSH-UHFFFAOYSA-N 2 2 202.261 0.477 40 0 BCABLP Cc1cc(NC2CC2)nc(N2CC[NH2+]CC2)[nH+]1 ZINC000084518707 345923519 /nfs/dbraw/zinc/92/35/19/345923519.db2.gz LAJOANJLJQEGMW-UHFFFAOYSA-N 2 2 233.319 0.769 40 0 BCABLP CC[NH+]1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000020521640 348714764 /nfs/dbraw/zinc/71/47/64/348714764.db2.gz HTCBIPYCILROFH-UHFFFAOYSA-N 3 2 211.353 0.894 40 0 BCABLP C[NH+](C)CCO[C@@H]1OC[N@H+](C)CC1(C)C ZINC000001568624 188273829 /nfs/dbraw/zinc/27/38/29/188273829.db2.gz BGECJYXYCYDGBG-SNVBAGLBSA-N 2 2 216.325 0.836 40 0 BCABLP C[NH+](C)CCO[C@@H]1OC[N@@H+](C)CC1(C)C ZINC000001568624 188273830 /nfs/dbraw/zinc/27/38/30/188273830.db2.gz BGECJYXYCYDGBG-SNVBAGLBSA-N 2 2 216.325 0.836 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@@H+]1CC[NH3+])C(C)C ZINC000079416796 188291552 /nfs/dbraw/zinc/29/15/52/188291552.db2.gz OJSKIRAJHBVJPV-GFCCVEGCSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@H+]1CC[NH3+])C(C)C ZINC000079416796 188291553 /nfs/dbraw/zinc/29/15/53/188291553.db2.gz OJSKIRAJHBVJPV-GFCCVEGCSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(C)C ZINC000079416830 188292396 /nfs/dbraw/zinc/29/23/96/188292396.db2.gz HBNKUBYHKIAKJG-ZDUSSCGKSA-N 2 2 241.379 0.914 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(C)C ZINC000079416830 188292399 /nfs/dbraw/zinc/29/23/99/188292399.db2.gz HBNKUBYHKIAKJG-ZDUSSCGKSA-N 2 2 241.379 0.914 40 0 BCABLP CN(C)c1cn[nH+]c(NCC[NH3+])c1Cl ZINC000217513891 188355713 /nfs/dbraw/zinc/35/57/13/188355713.db2.gz DAESOAQTYONDHS-UHFFFAOYSA-N 2 2 215.688 0.567 40 0 BCABLP COCC[N@H+](CC[NH3+])C1CCOCC1 ZINC000124336013 358515982 /nfs/dbraw/zinc/51/59/82/358515982.db2.gz BNTQERIYSAVXET-UHFFFAOYSA-N 2 2 202.298 0.073 40 0 BCABLP COCC[N@@H+](CC[NH3+])C1CCOCC1 ZINC000124336013 358515987 /nfs/dbraw/zinc/51/59/87/358515987.db2.gz BNTQERIYSAVXET-UHFFFAOYSA-N 2 2 202.298 0.073 40 0 BCABLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000020181741 181381172 /nfs/dbraw/zinc/38/11/72/181381172.db2.gz HGVVYPHEMWGVRH-UHFFFAOYSA-N 2 2 247.342 0.793 40 0 BCABLP [NH3+][C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000096517266 181590132 /nfs/dbraw/zinc/59/01/32/181590132.db2.gz GFOVDEYRGDPZGG-SECBINFHSA-N 2 2 230.275 0.200 40 0 BCABLP Oc1ccc[n+](CCC[n+]2cccc(O)c2)c1 ZINC000005427769 183285554 /nfs/dbraw/zinc/28/55/54/183285554.db2.gz KHLFBOPCMJZWHX-UHFFFAOYSA-P 2 2 232.283 0.763 40 0 BCABLP Cc1c[nH+]c(NCC[NH+]2CCOCC2)c(N)c1 ZINC000036226366 383886456 /nfs/dbraw/zinc/88/64/56/383886456.db2.gz LAMUSHXNMOKWMP-UHFFFAOYSA-N 2 2 236.319 0.716 40 0 BCABLP CCN(C(C)=O)C1CC[NH+](CC[NH3+])CC1 ZINC000079416751 384139714 /nfs/dbraw/zinc/13/97/14/384139714.db2.gz BJPKASATQDLLAB-UHFFFAOYSA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079416870 384140193 /nfs/dbraw/zinc/14/01/93/384140193.db2.gz ADSYAWPLZYSARL-ZDUSSCGKSA-N 2 2 239.363 0.811 40 0 BCABLP CC(=O)N(C[C@@H]1CCCC[N@H+]1CC[NH3+])C1CC1 ZINC000079416870 384140195 /nfs/dbraw/zinc/14/01/95/384140195.db2.gz ADSYAWPLZYSARL-ZDUSSCGKSA-N 2 2 239.363 0.811 40 0 BCABLP [NH3+]C[C@H]([NH3+])c1ccc2c(c1)OC(F)(F)O2 ZINC000044470341 384333460 /nfs/dbraw/zinc/33/34/60/384333460.db2.gz YSUUJFAMBVQLEW-LURJTMIESA-N 2 2 216.187 0.967 40 0 BCABLP C[NH+](C)CC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218962 384447664 /nfs/dbraw/zinc/44/76/64/384447664.db2.gz QNISDLUYBBZBGK-UHFFFAOYSA-N 2 2 216.325 0.869 40 0 BCABLP CC[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000082426425 384682970 /nfs/dbraw/zinc/68/29/70/384682970.db2.gz RZGYXSKXOHTUSD-UHFFFAOYSA-N 2 2 207.281 0.201 40 0 BCABLP C[C@@H]([NH3+])CN1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000096523919 385272745 /nfs/dbraw/zinc/27/27/45/385272745.db2.gz QUBCEUKYJHEVMY-GFCCVEGCSA-N 3 2 240.395 0.045 40 0 BCABLP Nc1cc(-c2c[nH]nc2[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000257322466 385765192 /nfs/dbraw/zinc/76/51/92/385765192.db2.gz WGBZYOUEJZSXRD-SNVBAGLBSA-N 2 2 245.286 0.715 40 0 BCABLP Cc1nc(-n2cc[nH+]c2)cc(N2CC[NH2+]CC2)n1 ZINC000217506170 388375033 /nfs/dbraw/zinc/37/50/33/388375033.db2.gz CFIPNCBGJHKLRO-UHFFFAOYSA-N 2 2 244.302 0.380 40 0 BCABLP CNc1ncc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000062717477 388655974 /nfs/dbraw/zinc/65/59/74/388655974.db2.gz IKIRMVTXHKMGKP-UHFFFAOYSA-N 2 2 246.318 0.895 40 0 BCABLP C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000257233383 173037055 /nfs/dbraw/zinc/03/70/55/173037055.db2.gz GPBSDZCLMMNNPK-SECBINFHSA-N 2 2 221.308 0.191 40 0 BCABLP C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000257233383 173037057 /nfs/dbraw/zinc/03/70/57/173037057.db2.gz GPBSDZCLMMNNPK-SECBINFHSA-N 2 2 221.308 0.191 40 0 BCABLP C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000257233384 173059801 /nfs/dbraw/zinc/05/98/01/173059801.db2.gz GPBSDZCLMMNNPK-VIFPVBQESA-N 2 2 221.308 0.191 40 0 BCABLP C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000257233384 173059803 /nfs/dbraw/zinc/05/98/03/173059803.db2.gz GPBSDZCLMMNNPK-VIFPVBQESA-N 2 2 221.308 0.191 40 0 BCABLP C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC000096084851 173174468 /nfs/dbraw/zinc/17/44/68/173174468.db2.gz IXLAEQWWFHESSA-UHFFFAOYSA-N 2 2 218.260 0.907 40 0 BCABLP C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC000096084851 173174470 /nfs/dbraw/zinc/17/44/70/173174470.db2.gz IXLAEQWWFHESSA-UHFFFAOYSA-N 2 2 218.260 0.907 40 0 BCABLP CNc1cc(C2CC2)[nH+]c(NCC[NH+](C)C)n1 ZINC000329018011 173209952 /nfs/dbraw/zinc/20/99/52/173209952.db2.gz NOUYCFPBBKRPFE-UHFFFAOYSA-N 2 2 235.335 0.213 40 0 BCABLP CNC(=O)[C@@H]1C[N@@H+](C2CCCC2)Cc2c[nH+]cn21 ZINC000247936147 173299793 /nfs/dbraw/zinc/29/97/93/173299793.db2.gz HDLGBQOSXOXKKA-LBPRGKRZSA-N 2 2 248.330 0.928 40 0 BCABLP CNC(=O)[C@@H]1C[N@H+](C2CCCC2)Cc2c[nH+]cn21 ZINC000247936147 173299794 /nfs/dbraw/zinc/29/97/94/173299794.db2.gz HDLGBQOSXOXKKA-LBPRGKRZSA-N 2 2 248.330 0.928 40 0 BCABLP C[NH2+]CC(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257310249 173326868 /nfs/dbraw/zinc/32/68/68/173326868.db2.gz UEJLOSOSKMLOHX-SNVBAGLBSA-N 2 2 236.319 0.644 40 0 BCABLP C[C@@H]([C@H]1CCC[N@@H+]1CC[NH3+])n1cccn1 ZINC000022763108 176012225 /nfs/dbraw/zinc/01/22/25/176012225.db2.gz MPSQJZDDRRZRKC-WDEREUQCSA-N 2 2 208.309 0.867 40 0 BCABLP C[C@@H]([C@H]1CCC[N@H+]1CC[NH3+])n1cccn1 ZINC000022763108 176012226 /nfs/dbraw/zinc/01/22/26/176012226.db2.gz MPSQJZDDRRZRKC-WDEREUQCSA-N 2 2 208.309 0.867 40 0 BCABLP CC(C)(C)OC(=O)[C@H]1CC2(C[NH2+]C2)CC[NH2+]1 ZINC000228904829 518854878 /nfs/dbraw/zinc/85/48/78/518854878.db2.gz WKMPVXUOBMGBDF-SECBINFHSA-N 2 2 226.320 0.670 40 0 BCABLP Cc1cc(C[NH2+]CCC[NH+](C)C)n(C)n1 ZINC000084243712 178021392 /nfs/dbraw/zinc/02/13/92/178021392.db2.gz FJUQUCRJFKBYEB-UHFFFAOYSA-N 2 2 210.325 0.770 40 0 BCABLP Cc1cc(CCO)c[nH+]c1N1CC[NH+](C)CC1 ZINC000072222574 259320814 /nfs/dbraw/zinc/32/08/14/259320814.db2.gz KMZJDZJRRKESDV-UHFFFAOYSA-N 2 2 235.331 0.677 40 0 BCABLP CN(C)c1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC000259050977 342838355 /nfs/dbraw/zinc/83/83/55/342838355.db2.gz VRBGJEVDPVQYLR-UHFFFAOYSA-N 2 2 221.308 0.470 40 0 BCABLP CN(C)c1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC000259050977 342838356 /nfs/dbraw/zinc/83/83/56/342838356.db2.gz VRBGJEVDPVQYLR-UHFFFAOYSA-N 2 2 221.308 0.470 40 0 BCABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccn1C ZINC000022076175 136278136 /nfs/dbraw/zinc/27/81/36/136278136.db2.gz SVAAVAORWHIWNH-SNVBAGLBSA-N 2 2 211.309 0.085 40 0 BCABLP COC(=O)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000047219183 343559812 /nfs/dbraw/zinc/55/98/12/343559812.db2.gz MRWFKEWXZRIKRF-SNVBAGLBSA-N 2 2 225.292 0.814 40 0 BCABLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000037826975 343783488 /nfs/dbraw/zinc/78/34/88/343783488.db2.gz NMPPFZFJHGTMRP-GFCCVEGCSA-N 2 2 237.347 0.435 40 0 BCABLP [NH3+][C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000107195156 343785667 /nfs/dbraw/zinc/78/56/67/343785667.db2.gz IFPWAJQWWZVHBL-SECBINFHSA-N 2 2 204.277 0.891 40 0 BCABLP [NH3+]CC[N@@H+]1C[C@@H](CO)[C@@H](c2ccccc2)C1 ZINC000409429007 343804567 /nfs/dbraw/zinc/80/45/67/343804567.db2.gz HFUJPHAOIQSVIL-QWHCGFSZSA-N 2 2 220.316 0.653 40 0 BCABLP [NH3+]CC[N@H+]1C[C@@H](CO)[C@@H](c2ccccc2)C1 ZINC000409429007 343804569 /nfs/dbraw/zinc/80/45/69/343804569.db2.gz HFUJPHAOIQSVIL-QWHCGFSZSA-N 2 2 220.316 0.653 40 0 BCABLP CO[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1n1cc[nH+]c1 ZINC000409433472 343832469 /nfs/dbraw/zinc/83/24/69/343832469.db2.gz MVRDCEBVQZDTRX-GHMZBOCLSA-N 3 2 224.308 0.104 40 0 BCABLP CO[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1n1cc[nH+]c1 ZINC000409433472 343832470 /nfs/dbraw/zinc/83/24/70/343832470.db2.gz MVRDCEBVQZDTRX-GHMZBOCLSA-N 3 2 224.308 0.104 40 0 BCABLP CC(C)C[C@@H]1C[N@H+](CC[NH3+])CC[C@@H]1O ZINC000409436051 343836686 /nfs/dbraw/zinc/83/66/86/343836686.db2.gz XVWTZXVRMHWTGH-MNOVXSKESA-N 2 2 200.326 0.674 40 0 BCABLP CC(C)C[C@@H]1C[N@@H+](CC[NH3+])CC[C@@H]1O ZINC000409436051 343836689 /nfs/dbraw/zinc/83/66/89/343836689.db2.gz XVWTZXVRMHWTGH-MNOVXSKESA-N 2 2 200.326 0.674 40 0 BCABLP CO[C@H]1CCO[C@]2(CC[N@H+](CC[NH3+])C2)C1 ZINC000409436125 343837635 /nfs/dbraw/zinc/83/76/35/343837635.db2.gz YGUKYQSWIUCBHE-WDEREUQCSA-N 2 2 214.309 0.215 40 0 BCABLP CO[C@H]1CCO[C@]2(CC[N@@H+](CC[NH3+])C2)C1 ZINC000409436125 343837638 /nfs/dbraw/zinc/83/76/38/343837638.db2.gz YGUKYQSWIUCBHE-WDEREUQCSA-N 2 2 214.309 0.215 40 0 BCABLP C[NH2+][C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585263545 344379620 /nfs/dbraw/zinc/37/96/20/344379620.db2.gz CJQFOTHRJNLLDV-IJLUTSLNSA-N 2 2 228.336 0.210 40 0 BCABLP CNc1cc(N2CCCC[C@@H]2C[NH3+])nc[nH+]1 ZINC000258860930 345785821 /nfs/dbraw/zinc/78/58/21/345785821.db2.gz ZYDHHBMWPNLFRK-SECBINFHSA-N 2 2 221.308 0.836 40 0 BCABLP CNc1cc(N2CC[NH+](C)CC2)nc[nH+]1 ZINC000087805918 345940611 /nfs/dbraw/zinc/94/06/11/345940611.db2.gz MNUAEZKCEKMCLP-UHFFFAOYSA-N 2 2 207.281 0.270 40 0 BCABLP C[NH+](C)CCC[NH2+]CC(=O)NCc1ccco1 ZINC000026439542 350274619 /nfs/dbraw/zinc/27/46/19/350274619.db2.gz APIGSVIEJOVXJP-UHFFFAOYSA-N 2 2 239.319 0.437 40 0 BCABLP Cc1cc(C[NH+]2CCC([NH3+])CC2)n(C)n1 ZINC000012398818 357338506 /nfs/dbraw/zinc/33/85/06/357338506.db2.gz DEDFXIWJPQXOMV-UHFFFAOYSA-N 2 2 208.309 0.652 40 0 BCABLP CCN(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(C)=O ZINC000079416735 384138686 /nfs/dbraw/zinc/13/86/86/384138686.db2.gz BQUJXICIWXAKFF-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CCN(C[C@@H]1CCC[N@H+]1CC[NH3+])C(C)=O ZINC000079416735 384138692 /nfs/dbraw/zinc/13/86/92/384138692.db2.gz BQUJXICIWXAKFF-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CCN(C[C@H]1CC[N@H+](CC[NH3+])C1)C(C)=O ZINC000079416743 384139764 /nfs/dbraw/zinc/13/97/64/384139764.db2.gz HBGSYWWQKOPEQL-NSHDSACASA-N 2 2 213.325 0.135 40 0 BCABLP CCN(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(C)=O ZINC000079416743 384139766 /nfs/dbraw/zinc/13/97/66/384139766.db2.gz HBGSYWWQKOPEQL-NSHDSACASA-N 2 2 213.325 0.135 40 0 BCABLP CC(=O)N(C[C@H]1CCCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079416875 384140000 /nfs/dbraw/zinc/14/00/00/384140000.db2.gz ADSYAWPLZYSARL-CYBMUJFWSA-N 2 2 239.363 0.811 40 0 BCABLP CC(=O)N(C[C@H]1CCCC[N@H+]1CC[NH3+])C1CC1 ZINC000079416875 384140003 /nfs/dbraw/zinc/14/00/03/384140003.db2.gz ADSYAWPLZYSARL-CYBMUJFWSA-N 2 2 239.363 0.811 40 0 BCABLP CCN(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(C)=O ZINC000079416768 384140402 /nfs/dbraw/zinc/14/04/02/384140402.db2.gz YRIYKRMMITZJDZ-LBPRGKRZSA-N 2 2 227.352 0.526 40 0 BCABLP CCN(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(C)=O ZINC000079416768 384140405 /nfs/dbraw/zinc/14/04/05/384140405.db2.gz YRIYKRMMITZJDZ-LBPRGKRZSA-N 2 2 227.352 0.526 40 0 BCABLP c1cn(Cc2ncn3c2C[NH2+]CCC3)c[nH+]1 ZINC000096259475 384446723 /nfs/dbraw/zinc/44/67/23/384446723.db2.gz MGMDIRSNPBLHBI-UHFFFAOYSA-N 2 2 217.276 0.621 40 0 BCABLP c1cnn(Cc2c[nH+]c3n2CC[NH2+]CC3)c1 ZINC000101146256 384667379 /nfs/dbraw/zinc/66/73/79/384667379.db2.gz QWDUCBKPNUDVFZ-UHFFFAOYSA-N 2 2 217.276 0.274 40 0 BCABLP CCNc1cc(C)[nH+]c(N2CC[NH2+]CC2)n1 ZINC000084495436 384761205 /nfs/dbraw/zinc/76/12/05/384761205.db2.gz NRYGOAKVZCGSKK-UHFFFAOYSA-N 2 2 221.308 0.626 40 0 BCABLP C[C@@H]([NH3+])C(=O)N1CCc2c([nH+]cn2C2CC2)C1 ZINC000096511402 385252911 /nfs/dbraw/zinc/25/29/11/385252911.db2.gz AXPLMHOEJDVGTM-MRVPVSSYSA-N 2 2 234.303 0.450 40 0 BCABLP CNc1cc([C@H]2CCCN(C(=O)C[NH3+])C2)cc[nH+]1 ZINC000257241260 385755117 /nfs/dbraw/zinc/75/51/17/385755117.db2.gz HXIVXYWLXOTCCN-NSHDSACASA-N 2 2 248.330 0.788 40 0 BCABLP C[NH+](C)Cc1cnc([C@@H]2C[NH2+]CCO2)[nH]1 ZINC000257257850 385759003 /nfs/dbraw/zinc/75/90/03/385759003.db2.gz KRHWIQRVMXERLF-VIFPVBQESA-N 2 2 210.281 0.132 40 0 BCABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[NH2+]CCO2)n1 ZINC000257257850 385759004 /nfs/dbraw/zinc/75/90/04/385759004.db2.gz KRHWIQRVMXERLF-VIFPVBQESA-N 2 2 210.281 0.132 40 0 BCABLP Nc1cc(-c2c[nH]nc2[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000257322465 385764949 /nfs/dbraw/zinc/76/49/49/385764949.db2.gz WGBZYOUEJZSXRD-JTQLQIEISA-N 2 2 245.286 0.715 40 0 BCABLP c1coc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000306134631 385991768 /nfs/dbraw/zinc/99/17/68/385991768.db2.gz NTTQDWUPFVBLQE-ZYHUDNBSSA-N 2 2 222.288 0.700 40 0 BCABLP c1coc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000306134631 385991775 /nfs/dbraw/zinc/99/17/75/385991775.db2.gz NTTQDWUPFVBLQE-ZYHUDNBSSA-N 2 2 222.288 0.700 40 0 BCABLP [NH3+][C@H]1CCCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000218853026 388392954 /nfs/dbraw/zinc/39/29/54/388392954.db2.gz DNQYXFJIJSDDGA-STQMWFEESA-N 2 2 241.379 0.568 40 0 BCABLP Cc1cc(N(C)C)nc(N2CC[NH2+]CC2)[nH+]1 ZINC000040538838 132296246 /nfs/dbraw/zinc/29/62/46/132296246.db2.gz BNVHGCFEEONQBB-UHFFFAOYSA-N 2 2 221.308 0.261 40 0 BCABLP CSc1nc(N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000020286691 132331162 /nfs/dbraw/zinc/33/11/62/132331162.db2.gz GKPDUYQDKLGIDT-UHFFFAOYSA-N 2 2 224.333 0.917 40 0 BCABLP Cc1cc(N2CCCC2)nc(NCC[NH3+])[nH+]1 ZINC000217507452 178112139 /nfs/dbraw/zinc/11/21/39/178112139.db2.gz LDSRQYHOWQCDCX-UHFFFAOYSA-N 2 2 221.308 0.756 40 0 BCABLP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000035976039 343306108 /nfs/dbraw/zinc/30/61/08/343306108.db2.gz XQFREXXPLPDFGA-QMMMGPOBSA-N 2 2 211.265 0.621 40 0 BCABLP CC(C)CCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049284424 343595560 /nfs/dbraw/zinc/59/55/60/343595560.db2.gz MGQWABYVDMPKQA-GFCCVEGCSA-N 2 2 241.379 0.819 40 0 BCABLP CC(C)CCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049284424 343595561 /nfs/dbraw/zinc/59/55/61/343595561.db2.gz MGQWABYVDMPKQA-GFCCVEGCSA-N 2 2 241.379 0.819 40 0 BCABLP [NH3+]CCC[N@@H+]1CCn2c(Cl)cnc2C1 ZINC000409431999 343824751 /nfs/dbraw/zinc/82/47/51/343824751.db2.gz KLABOFHKBCZRDB-UHFFFAOYSA-N 2 2 214.700 0.701 40 0 BCABLP [NH3+]CCC[N@H+]1CCn2c(Cl)cnc2C1 ZINC000409431999 343824753 /nfs/dbraw/zinc/82/47/53/343824753.db2.gz KLABOFHKBCZRDB-UHFFFAOYSA-N 2 2 214.700 0.701 40 0 BCABLP CO[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000409433485 343832481 /nfs/dbraw/zinc/83/24/81/343832481.db2.gz MVRDCEBVQZDTRX-QWRGUYRKSA-N 3 2 224.308 0.104 40 0 BCABLP CO[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000409433485 343832484 /nfs/dbraw/zinc/83/24/84/343832484.db2.gz MVRDCEBVQZDTRX-QWRGUYRKSA-N 3 2 224.308 0.104 40 0 BCABLP CN(C)c1cc(N2CCCC[C@H]2C[NH3+])nc[nH+]1 ZINC000258768813 345786316 /nfs/dbraw/zinc/78/63/16/345786316.db2.gz QIMFQPMXAIOUQZ-JTQLQIEISA-N 2 2 235.335 0.860 40 0 BCABLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000075134378 345843315 /nfs/dbraw/zinc/84/33/15/345843315.db2.gz UYGPZUYIEBHOSC-SNVBAGLBSA-N 2 2 208.309 0.950 40 0 BCABLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000075134378 345843318 /nfs/dbraw/zinc/84/33/18/345843318.db2.gz UYGPZUYIEBHOSC-SNVBAGLBSA-N 2 2 208.309 0.950 40 0 BCABLP CC(=O)N(C)C[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000079416719 188312325 /nfs/dbraw/zinc/31/23/25/188312325.db2.gz HTEYTKZXOBPTAU-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N(C)C[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000079416719 188312327 /nfs/dbraw/zinc/31/23/27/188312327.db2.gz HTEYTKZXOBPTAU-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP [NH3+]C[C@H]1CCCCN1CCn1cc[nH+]c1 ZINC000044559158 491114275 /nfs/dbraw/zinc/11/42/75/491114275.db2.gz MWIKHXUGUWGYQG-LLVKDONJSA-N 2 2 208.309 0.696 40 0 BCABLP [NH3+]C[C@H]1CCCC[N@@H+]1CCn1ccnc1 ZINC000044559158 491114276 /nfs/dbraw/zinc/11/42/76/491114276.db2.gz MWIKHXUGUWGYQG-LLVKDONJSA-N 2 2 208.309 0.696 40 0 BCABLP [NH3+]C[C@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000044559158 491114277 /nfs/dbraw/zinc/11/42/77/491114277.db2.gz MWIKHXUGUWGYQG-LLVKDONJSA-N 2 2 208.309 0.696 40 0 BCABLP [NH3+]C1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000019816750 181343159 /nfs/dbraw/zinc/34/31/59/181343159.db2.gz XYZKBSWCGJVSTK-UHFFFAOYSA-N 2 2 239.363 0.812 40 0 BCABLP CCC[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096228932 169205563 /nfs/dbraw/zinc/20/55/63/169205563.db2.gz VAVXHJDWXXNYET-LLVKDONJSA-N 2 2 214.309 0.087 40 0 BCABLP CCC[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096228932 169205565 /nfs/dbraw/zinc/20/55/65/169205565.db2.gz VAVXHJDWXXNYET-LLVKDONJSA-N 2 2 214.309 0.087 40 0 BCABLP Cc1noc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287670 383892052 /nfs/dbraw/zinc/89/20/52/383892052.db2.gz UNBNMHQFDAVMGH-PHIMTYICSA-N 2 2 221.304 0.943 40 0 BCABLP Cc1noc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287670 383892055 /nfs/dbraw/zinc/89/20/55/383892055.db2.gz UNBNMHQFDAVMGH-PHIMTYICSA-N 2 2 221.304 0.943 40 0 BCABLP CC(=O)N1CCC[C@H]1C[N@H+](CC[NH3+])C1CC1 ZINC000079405721 384136072 /nfs/dbraw/zinc/13/60/72/384136072.db2.gz MIXYAWTXSYBGIJ-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N1CCC[C@H]1C[N@@H+](CC[NH3+])C1CC1 ZINC000079405721 384136077 /nfs/dbraw/zinc/13/60/77/384136077.db2.gz MIXYAWTXSYBGIJ-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N(C(C)C)[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000079416781 384139534 /nfs/dbraw/zinc/13/95/34/384139534.db2.gz HGEHQELYOKEUQG-NSHDSACASA-N 2 2 213.325 0.276 40 0 BCABLP CC(=O)N(C(C)C)[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000079416781 384139536 /nfs/dbraw/zinc/13/95/36/384139536.db2.gz HGEHQELYOKEUQG-NSHDSACASA-N 2 2 213.325 0.276 40 0 BCABLP CCN(C[C@H]1CCC[N@@H+]1CC[NH3+])C(C)=O ZINC000079416738 384139607 /nfs/dbraw/zinc/13/96/07/384139607.db2.gz BQUJXICIWXAKFF-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CCN(C[C@H]1CCC[N@H+]1CC[NH3+])C(C)=O ZINC000079416738 384139609 /nfs/dbraw/zinc/13/96/09/384139609.db2.gz BQUJXICIWXAKFF-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CC(C)[N@@H+]1CCCn2c(C[NH+](C)C)nnc2C1 ZINC000096084748 384434805 /nfs/dbraw/zinc/43/48/05/384434805.db2.gz GZUVONXEPPAVHQ-UHFFFAOYSA-N 2 2 237.351 0.954 40 0 BCABLP CC(C)[N@H+]1CCCn2c(C[NH+](C)C)nnc2C1 ZINC000096084748 384434808 /nfs/dbraw/zinc/43/48/08/384434808.db2.gz GZUVONXEPPAVHQ-UHFFFAOYSA-N 2 2 237.351 0.954 40 0 BCABLP Nc1cc(OCC[NH+]2CCOCC2)cc[nH+]1 ZINC000098175309 384595721 /nfs/dbraw/zinc/59/57/21/384595721.db2.gz RWGVAUJAGXRGRF-UHFFFAOYSA-N 2 2 223.276 0.375 40 0 BCABLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000096523586 385268266 /nfs/dbraw/zinc/26/82/66/385268266.db2.gz ZJOXBCFRRUIQKQ-ZDUSSCGKSA-N 2 2 241.379 0.522 40 0 BCABLP [NH3+]C[C@@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000096523586 385268273 /nfs/dbraw/zinc/26/82/73/385268273.db2.gz ZJOXBCFRRUIQKQ-ZDUSSCGKSA-N 2 2 241.379 0.522 40 0 BCABLP CCN(CC)c1[nH+]cnc2c1cnn2CC[NH3+] ZINC000096524249 385275283 /nfs/dbraw/zinc/27/52/83/385275283.db2.gz XCBGEGFGPQGCRL-UHFFFAOYSA-N 2 2 234.307 0.631 40 0 BCABLP CCNc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000062718424 385727032 /nfs/dbraw/zinc/72/70/32/385727032.db2.gz FERGXGXDVCANIF-UHFFFAOYSA-N 2 2 237.351 0.950 40 0 BCABLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000218870288 386352163 /nfs/dbraw/zinc/35/21/63/386352163.db2.gz CIMOVVGNJOIJEJ-NEPJUHHUSA-N 2 2 227.352 0.178 40 0 BCABLP [NH3+][C@@H]1CCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000218870288 386352175 /nfs/dbraw/zinc/35/21/75/386352175.db2.gz CIMOVVGNJOIJEJ-NEPJUHHUSA-N 2 2 227.352 0.178 40 0 BCABLP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218870449 386353323 /nfs/dbraw/zinc/35/33/23/386353323.db2.gz CIMOVVGNJOIJEJ-NWDGAFQWSA-N 2 2 227.352 0.178 40 0 BCABLP [NH3+][C@H]1CCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000218870449 386353329 /nfs/dbraw/zinc/35/33/29/386353329.db2.gz CIMOVVGNJOIJEJ-NWDGAFQWSA-N 2 2 227.352 0.178 40 0 BCABLP [NH3+][C@@H]1CCCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000218853113 388393113 /nfs/dbraw/zinc/39/31/13/388393113.db2.gz DNQYXFJIJSDDGA-CHWSQXEVSA-N 2 2 241.379 0.568 40 0 BCABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH2+]CC1 ZINC000306125361 388629604 /nfs/dbraw/zinc/62/96/04/388629604.db2.gz CNKMACZLZVHPAU-UHFFFAOYSA-N 2 2 220.320 0.716 40 0 BCABLP CC(C)(C)OC(=O)N[C@H]([NH3+])C(C)(C)C[NH3+] ZINC000064033593 388664698 /nfs/dbraw/zinc/66/46/98/388664698.db2.gz HXVYTJHVDCUEED-ZETCQYMHSA-N 2 2 217.313 0.781 40 0 BCABLP [NH3+]C[C@@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000257334308 388698376 /nfs/dbraw/zinc/69/83/76/388698376.db2.gz YFJRAGWEKLGIDV-ZDUSSCGKSA-N 2 2 244.298 0.530 40 0 BCABLP CCNc1cc(C2CC2)[nH+]c(NCC[NH+](C)C)n1 ZINC000329067595 170041793 /nfs/dbraw/zinc/04/17/93/170041793.db2.gz YJAQCQVNLKIYQL-UHFFFAOYSA-N 2 2 249.362 0.603 40 0 BCABLP CCn1nccc1C[NH2+]CCC[NH+](C)C ZINC000096033638 172271592 /nfs/dbraw/zinc/27/15/92/172271592.db2.gz SGVQQBMKRWHUPW-UHFFFAOYSA-N 2 2 210.325 0.944 40 0 BCABLP COCC[N@H+](CC[NH3+])CCc1ccncc1 ZINC000096523732 174292291 /nfs/dbraw/zinc/29/22/91/174292291.db2.gz GVCSCHZEEOMMFR-UHFFFAOYSA-N 2 2 223.320 0.531 40 0 BCABLP COCC[N@@H+](CC[NH3+])CCc1ccncc1 ZINC000096523732 174292293 /nfs/dbraw/zinc/29/22/93/174292293.db2.gz GVCSCHZEEOMMFR-UHFFFAOYSA-N 2 2 223.320 0.531 40 0 BCABLP CC(C)(C)OC(=O)[C@@H]1CC2(C[NH2+]C2)CC[NH2+]1 ZINC000228904821 518844282 /nfs/dbraw/zinc/84/42/82/518844282.db2.gz WKMPVXUOBMGBDF-VIFPVBQESA-N 2 2 226.320 0.670 40 0 BCABLP COC(=O)[C@H](C)C[NH2+]CCCn1cc[nH+]c1 ZINC000047219181 343559852 /nfs/dbraw/zinc/55/98/52/343559852.db2.gz YMFYIOWJZXPKPG-SNVBAGLBSA-N 2 2 225.292 0.672 40 0 BCABLP CC(=O)N1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000300766310 343796568 /nfs/dbraw/zinc/79/65/68/343796568.db2.gz SLFOAQSFNHAYNE-LLVKDONJSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000300766310 343796571 /nfs/dbraw/zinc/79/65/71/343796571.db2.gz SLFOAQSFNHAYNE-LLVKDONJSA-N 2 2 225.336 0.420 40 0 BCABLP O[C@@]1(C(F)(F)F)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000304647367 343797408 /nfs/dbraw/zinc/79/74/08/343797408.db2.gz XVUQKBVDIYTABL-VIFPVBQESA-N 2 2 238.253 0.738 40 0 BCABLP O[C@@]1(C(F)(F)F)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000304647367 343797411 /nfs/dbraw/zinc/79/74/11/343797411.db2.gz XVUQKBVDIYTABL-VIFPVBQESA-N 2 2 238.253 0.738 40 0 BCABLP CO[C@@H]1CCOC2(CC[NH+](CC[NH3+])CC2)C1 ZINC000409431567 343824176 /nfs/dbraw/zinc/82/41/76/343824176.db2.gz SPMQPIPHQMMXKH-LLVKDONJSA-N 2 2 228.336 0.605 40 0 BCABLP COC[C@H]1C[N@H+](CC(=[NH2+])NO)C[C@H]1C ZINC000409429184 343804592 /nfs/dbraw/zinc/80/45/92/343804592.db2.gz OBZHUIZZQIPULA-HTQZYQBOSA-N 2 2 201.270 0.157 40 0 BCABLP COC[C@H]1C[N@@H+](CC(=[NH2+])NO)C[C@H]1C ZINC000409429184 343804593 /nfs/dbraw/zinc/80/45/93/343804593.db2.gz OBZHUIZZQIPULA-HTQZYQBOSA-N 2 2 201.270 0.157 40 0 BCABLP CO[C@@H]1CCO[C@]2(CCC[N@H+](CC[NH3+])C2)C1 ZINC000409435172 343832551 /nfs/dbraw/zinc/83/25/51/343832551.db2.gz SSDXOMXWCOYHEE-VXGBXAGGSA-N 2 2 228.336 0.605 40 0 BCABLP CO[C@@H]1CCO[C@]2(CCC[N@@H+](CC[NH3+])C2)C1 ZINC000409435172 343832552 /nfs/dbraw/zinc/83/25/52/343832552.db2.gz SSDXOMXWCOYHEE-VXGBXAGGSA-N 2 2 228.336 0.605 40 0 BCABLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH2+]C2 ZINC000096259709 187288988 /nfs/dbraw/zinc/28/89/88/187288988.db2.gz IWVDIACLEGUVSN-UHFFFAOYSA-N 2 2 223.324 0.612 40 0 BCABLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH2+]C2 ZINC000096259709 187288989 /nfs/dbraw/zinc/28/89/89/187288989.db2.gz IWVDIACLEGUVSN-UHFFFAOYSA-N 2 2 223.324 0.612 40 0 BCABLP Cc1[nH+]cn(-c2cc(NCC[NH3+])nc(C)n2)c1C ZINC000217511436 180017053 /nfs/dbraw/zinc/01/70/53/180017053.db2.gz PYKTZSDHSHQLNO-UHFFFAOYSA-N 2 2 246.318 0.958 40 0 BCABLP CC(=O)N(C(C)C)[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000079416775 188291397 /nfs/dbraw/zinc/29/13/97/188291397.db2.gz HGEHQELYOKEUQG-LLVKDONJSA-N 2 2 213.325 0.276 40 0 BCABLP CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000079416775 188291398 /nfs/dbraw/zinc/29/13/98/188291398.db2.gz HGEHQELYOKEUQG-LLVKDONJSA-N 2 2 213.325 0.276 40 0 BCABLP CC(=O)N1CCCC[C@@H]1C[N@H+](CC[NH3+])C1CC1 ZINC000079405757 188291659 /nfs/dbraw/zinc/29/16/59/188291659.db2.gz PGFNTCULYZECHC-CYBMUJFWSA-N 2 2 239.363 0.811 40 0 BCABLP CC(=O)N1CCCC[C@@H]1C[N@@H+](CC[NH3+])C1CC1 ZINC000079405757 188291661 /nfs/dbraw/zinc/29/16/61/188291661.db2.gz PGFNTCULYZECHC-CYBMUJFWSA-N 2 2 239.363 0.811 40 0 BCABLP [NH3+]CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000217511983 181396549 /nfs/dbraw/zinc/39/65/49/181396549.db2.gz IZGRIYNDSPGQHW-UHFFFAOYSA-N 2 2 207.281 0.447 40 0 BCABLP [NH3+][C@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000050243802 181651947 /nfs/dbraw/zinc/65/19/47/181651947.db2.gz KYBNUZNHFKVFGW-JTQLQIEISA-N 2 2 216.288 0.867 40 0 BCABLP c1cn([C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c[nH+]1 ZINC000096223742 183472357 /nfs/dbraw/zinc/47/23/57/183472357.db2.gz JTDLUVWCGALWFA-GHMZBOCLSA-N 2 2 207.277 0.967 40 0 BCABLP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000079408290 384135019 /nfs/dbraw/zinc/13/50/19/384135019.db2.gz ANLXAXZNFOXVLV-SNVBAGLBSA-N 2 2 243.351 0.792 40 0 BCABLP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000079408290 384135026 /nfs/dbraw/zinc/13/50/26/384135026.db2.gz ANLXAXZNFOXVLV-SNVBAGLBSA-N 2 2 243.351 0.792 40 0 BCABLP CC[N@H+](CC[NH3+])C[C@@H]1CCCCN1C(C)=O ZINC000079405630 384132626 /nfs/dbraw/zinc/13/26/26/384132626.db2.gz PGVFCKMQKRDSAJ-LBPRGKRZSA-N 2 2 227.352 0.668 40 0 BCABLP CC[N@@H+](CC[NH3+])C[C@@H]1CCCCN1C(C)=O ZINC000079405630 384132632 /nfs/dbraw/zinc/13/26/32/384132632.db2.gz PGVFCKMQKRDSAJ-LBPRGKRZSA-N 2 2 227.352 0.668 40 0 BCABLP CC(=O)N(C1CC1)[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000079416839 384138657 /nfs/dbraw/zinc/13/86/57/384138657.db2.gz NOGHGZZAYOOCPL-NSHDSACASA-N 2 2 211.309 0.030 40 0 BCABLP CC(=O)N(C1CC1)[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000079416839 384138663 /nfs/dbraw/zinc/13/86/63/384138663.db2.gz NOGHGZZAYOOCPL-NSHDSACASA-N 2 2 211.309 0.030 40 0 BCABLP CNc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000062718399 385726810 /nfs/dbraw/zinc/72/68/10/385726810.db2.gz UAERDCXFVJCTJN-UHFFFAOYSA-N 2 2 223.324 0.560 40 0 BCABLP c1cn(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c[nH+]1 ZINC000096240693 387024208 /nfs/dbraw/zinc/02/42/08/387024208.db2.gz DLQBTNVICVZLOG-RYUDHWBXSA-N 2 2 237.303 0.278 40 0 BCABLP CN(C)C(=O)C1CC[NH+](C(C)(C)C[NH3+])CC1 ZINC000252481724 388653306 /nfs/dbraw/zinc/65/33/06/388653306.db2.gz CQYPFWQKBQACAB-UHFFFAOYSA-N 2 2 227.352 0.524 40 0 BCABLP c1cn(Cc2nnn3c2C[NH2+]CCC3)c[nH+]1 ZINC000306127985 411509021 /nfs/dbraw/zinc/50/90/21/411509021.db2.gz GNAXOOMLRLEGCI-UHFFFAOYSA-N 2 2 218.264 0.016 40 0 BCABLP C[NH+]1CCC2(CC1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1S2 ZINC000001585581 173003170 /nfs/dbraw/zinc/00/31/70/173003170.db2.gz WUJYVICVAOOGLA-MNOVXSKESA-N 3 2 241.404 0.817 40 0 BCABLP C[NH+]1CCC2(CC1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1S2 ZINC000001585581 173003173 /nfs/dbraw/zinc/00/31/73/173003173.db2.gz WUJYVICVAOOGLA-MNOVXSKESA-N 3 2 241.404 0.817 40 0 BCABLP COCCOc1ccccc1C[NH2+]CC[NH3+] ZINC000072226464 174369654 /nfs/dbraw/zinc/36/96/54/174369654.db2.gz XHILSBORKZXZGC-UHFFFAOYSA-N 2 2 224.304 0.760 40 0 BCABLP CNc1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC000259095518 491101933 /nfs/dbraw/zinc/10/19/33/491101933.db2.gz ZMIYKPVPSGRMCS-UHFFFAOYSA-N 2 2 207.281 0.446 40 0 BCABLP CNc1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC000259095518 491101934 /nfs/dbraw/zinc/10/19/34/491101934.db2.gz ZMIYKPVPSGRMCS-UHFFFAOYSA-N 2 2 207.281 0.446 40 0 BCABLP CC[NH+](CC)CC[NH2+]C[C@@H](C)C(=O)OC ZINC000035133479 343285580 /nfs/dbraw/zinc/28/55/80/343285580.db2.gz NSCREFNJUPCRIA-SNVBAGLBSA-N 2 2 216.325 0.727 40 0 BCABLP CC(=O)N(CC1CC[NH+](CC[NH3+])CC1)C1CC1 ZINC000079416885 187262787 /nfs/dbraw/zinc/26/27/87/187262787.db2.gz FOTMCNHKFUYTCM-UHFFFAOYSA-N 2 2 239.363 0.668 40 0 BCABLP CC(=O)N(C)C[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416724 187262879 /nfs/dbraw/zinc/26/28/79/187262879.db2.gz NDWVVHXMBVBTDG-LLVKDONJSA-N 2 2 213.325 0.135 40 0 BCABLP CC(=O)N(C)C[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416724 187262880 /nfs/dbraw/zinc/26/28/80/187262880.db2.gz NDWVVHXMBVBTDG-LLVKDONJSA-N 2 2 213.325 0.135 40 0 BCABLP CC(=O)N(C[C@H]1CC[N@H+](CC[NH3+])C1)C(C)C ZINC000079416805 187263145 /nfs/dbraw/zinc/26/31/45/187263145.db2.gz ZWOYTWYZOOQALI-LBPRGKRZSA-N 2 2 227.352 0.524 40 0 BCABLP CC(=O)N(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(C)C ZINC000079416805 187263147 /nfs/dbraw/zinc/26/31/47/187263147.db2.gz ZWOYTWYZOOQALI-LBPRGKRZSA-N 2 2 227.352 0.524 40 0 BCABLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000037826974 343783426 /nfs/dbraw/zinc/78/34/26/343783426.db2.gz NMPPFZFJHGTMRP-LBPRGKRZSA-N 2 2 237.347 0.435 40 0 BCABLP O[C@]1(C(F)(F)F)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000304647356 343797279 /nfs/dbraw/zinc/79/72/79/343797279.db2.gz XVUQKBVDIYTABL-SECBINFHSA-N 2 2 238.253 0.738 40 0 BCABLP O[C@]1(C(F)(F)F)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000304647356 343797281 /nfs/dbraw/zinc/79/72/81/343797281.db2.gz XVUQKBVDIYTABL-SECBINFHSA-N 2 2 238.253 0.738 40 0 BCABLP COC[C@]1(C(F)(F)F)CC[N@H+](CC[NH3+])C1 ZINC000409432003 343824686 /nfs/dbraw/zinc/82/46/86/343824686.db2.gz KLDYCNUBQDRTPO-QMMMGPOBSA-N 2 2 226.242 0.846 40 0 BCABLP COC[C@]1(C(F)(F)F)CC[N@@H+](CC[NH3+])C1 ZINC000409432003 343824688 /nfs/dbraw/zinc/82/46/88/343824688.db2.gz KLDYCNUBQDRTPO-QMMMGPOBSA-N 2 2 226.242 0.846 40 0 BCABLP CCCCN(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000086206134 345935276 /nfs/dbraw/zinc/93/52/76/345935276.db2.gz CRBNMGHYAKCGIV-UHFFFAOYSA-N 2 2 227.352 0.668 40 0 BCABLP CC[NH+]1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000087805600 345941212 /nfs/dbraw/zinc/94/12/12/345941212.db2.gz PFJCBIDANMUDLU-UHFFFAOYSA-N 2 2 221.308 0.660 40 0 BCABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000038086907 180337978 /nfs/dbraw/zinc/33/79/78/180337978.db2.gz BMOFIMHLDREPKB-UHFFFAOYSA-N 2 2 222.336 0.832 40 0 BCABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[NH2+]CC1 ZINC000038086907 180337981 /nfs/dbraw/zinc/33/79/81/180337981.db2.gz BMOFIMHLDREPKB-UHFFFAOYSA-N 2 2 222.336 0.832 40 0 BCABLP CC(=O)N(C[C@H]1CC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079416853 188292317 /nfs/dbraw/zinc/29/23/17/188292317.db2.gz ZHSJKXRQGMKCOP-NSHDSACASA-N 2 2 225.336 0.278 40 0 BCABLP CC(=O)N(C[C@H]1CC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079416853 188292319 /nfs/dbraw/zinc/29/23/19/188292319.db2.gz ZHSJKXRQGMKCOP-NSHDSACASA-N 2 2 225.336 0.278 40 0 BCABLP C[N@H+](Cc1cnccn1)C1CC[NH2+]CC1 ZINC000036300935 360871118 /nfs/dbraw/zinc/87/11/18/360871118.db2.gz MVDWRLWIDMMWQY-UHFFFAOYSA-N 2 2 206.293 0.660 40 0 BCABLP C[N@@H+](Cc1cnccn1)C1CC[NH2+]CC1 ZINC000036300935 360871122 /nfs/dbraw/zinc/87/11/22/360871122.db2.gz MVDWRLWIDMMWQY-UHFFFAOYSA-N 2 2 206.293 0.660 40 0 BCABLP c1c(C[NH+]2CCCC2)nc2n1CC[NH2+]C2 ZINC000107488074 183321713 /nfs/dbraw/zinc/32/17/13/183321713.db2.gz WBPRIDIUOCWFHH-UHFFFAOYSA-N 2 2 206.293 0.582 40 0 BCABLP CC(=O)N(C1CC1)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416860 384140103 /nfs/dbraw/zinc/14/01/03/384140103.db2.gz TTXFNAAJCMVLLX-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N(C1CC1)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416860 384140106 /nfs/dbraw/zinc/14/01/06/384140106.db2.gz TTXFNAAJCMVLLX-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CCN(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(C)=O ZINC000079416740 384140297 /nfs/dbraw/zinc/14/02/97/384140297.db2.gz HBGSYWWQKOPEQL-LLVKDONJSA-N 2 2 213.325 0.135 40 0 BCABLP CCN(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(C)=O ZINC000079416740 384140305 /nfs/dbraw/zinc/14/03/05/384140305.db2.gz HBGSYWWQKOPEQL-LLVKDONJSA-N 2 2 213.325 0.135 40 0 BCABLP CC(=O)N(C(C)C)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416811 384495625 /nfs/dbraw/zinc/49/56/25/384495625.db2.gz GPMVSXCFDHSJSY-LBPRGKRZSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C(C)C)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416811 384495632 /nfs/dbraw/zinc/49/56/32/384495632.db2.gz GPMVSXCFDHSJSY-LBPRGKRZSA-N 2 2 227.352 0.666 40 0 BCABLP CSCC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CO ZINC000096523462 385268086 /nfs/dbraw/zinc/26/80/86/385268086.db2.gz MQFYDCIFDYLMIN-NXEZZACHSA-N 2 2 218.366 0.524 40 0 BCABLP CSCC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CO ZINC000096523462 385268092 /nfs/dbraw/zinc/26/80/92/385268092.db2.gz MQFYDCIFDYLMIN-NXEZZACHSA-N 2 2 218.366 0.524 40 0 BCABLP [NH3+]C[C@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000096523587 385269670 /nfs/dbraw/zinc/26/96/70/385269670.db2.gz ZJOXBCFRRUIQKQ-CYBMUJFWSA-N 2 2 241.379 0.522 40 0 BCABLP [NH3+]C[C@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000096523587 385269676 /nfs/dbraw/zinc/26/96/76/385269676.db2.gz ZJOXBCFRRUIQKQ-CYBMUJFWSA-N 2 2 241.379 0.522 40 0 BCABLP c1nc(N2CCC[NH2+]CC2)cc(N2CCC2)[nH+]1 ZINC000409430959 385328635 /nfs/dbraw/zinc/32/86/35/385328635.db2.gz XQCKAPDQLRWRBX-UHFFFAOYSA-N 2 2 233.319 0.486 40 0 BCABLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000096249186 385917480 /nfs/dbraw/zinc/91/74/80/385917480.db2.gz KSGQHELSDCSWGZ-NEPJUHHUSA-N 2 2 220.320 0.461 40 0 BCABLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000096249186 385917486 /nfs/dbraw/zinc/91/74/86/385917486.db2.gz KSGQHELSDCSWGZ-NEPJUHHUSA-N 2 2 220.320 0.461 40 0 BCABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c[nH+]1 ZINC000096223745 387020933 /nfs/dbraw/zinc/02/09/33/387020933.db2.gz JTDLUVWCGALWFA-WDEREUQCSA-N 2 2 207.277 0.967 40 0 BCABLP [NH3+][C@@H]1CCCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000218852956 388392869 /nfs/dbraw/zinc/39/28/69/388392869.db2.gz DNQYXFJIJSDDGA-OLZOCXBDSA-N 2 2 241.379 0.568 40 0 BCABLP C(C[NH+]1CCOCC1)N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218840133 256852401 /nfs/dbraw/zinc/85/24/01/256852401.db2.gz ZDHPVWWAWRIVMT-CHWSQXEVSA-N 2 2 239.363 0.145 40 0 BCABLP C(C[NH+]1CCOCC1)N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225715250 388840896 /nfs/dbraw/zinc/84/08/96/388840896.db2.gz ZDHPVWWAWRIVMT-STQMWFEESA-N 2 2 239.363 0.145 40 0 BCABLP C[NH+]1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000074693549 135390722 /nfs/dbraw/zinc/39/07/22/135390722.db2.gz WTRFOKVBFWTENW-UHFFFAOYSA-N 2 2 225.336 0.246 40 0 BCABLP CCn1cc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000050539431 172170763 /nfs/dbraw/zinc/17/07/63/172170763.db2.gz AHXPSBKIAGTFPW-UHFFFAOYSA-N 2 2 210.325 0.944 40 0 BCABLP C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000257198258 173060558 /nfs/dbraw/zinc/06/05/58/173060558.db2.gz XKGMJJHCFRTVPE-QMMMGPOBSA-N 2 2 207.281 0.148 40 0 BCABLP C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000257198258 173060560 /nfs/dbraw/zinc/06/05/60/173060560.db2.gz XKGMJJHCFRTVPE-QMMMGPOBSA-N 2 2 207.281 0.148 40 0 BCABLP CNC(=O)[C@H]1C[N@@H+](C2CCCC2)Cc2c[nH+]cn21 ZINC000247936144 173308325 /nfs/dbraw/zinc/30/83/25/173308325.db2.gz HDLGBQOSXOXKKA-GFCCVEGCSA-N 2 2 248.330 0.928 40 0 BCABLP CNC(=O)[C@H]1C[N@H+](C2CCCC2)Cc2c[nH+]cn21 ZINC000247936144 173308326 /nfs/dbraw/zinc/30/83/26/173308326.db2.gz HDLGBQOSXOXKKA-GFCCVEGCSA-N 2 2 248.330 0.928 40 0 BCABLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754730 176066532 /nfs/dbraw/zinc/06/65/32/176066532.db2.gz WWFSDNIBBFHJFW-LLVKDONJSA-N 2 2 239.363 0.811 40 0 BCABLP CCNc1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000258944749 342802160 /nfs/dbraw/zinc/80/21/60/342802160.db2.gz LAAJGYQGVAHKRT-UHFFFAOYSA-N 2 2 221.308 0.708 40 0 BCABLP [NH3+][C@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218853174 398328911 /nfs/dbraw/zinc/32/89/11/398328911.db2.gz DNQYXFJIJSDDGA-QWHCGFSZSA-N 2 2 241.379 0.568 40 0 BCABLP [NH3+][C@H]1CCCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000218853174 398328912 /nfs/dbraw/zinc/32/89/12/398328912.db2.gz DNQYXFJIJSDDGA-QWHCGFSZSA-N 2 2 241.379 0.568 40 0 BCABLP COc1cccc(C[NH2+]CC[NH2+]C[C@H](C)O)c1 ZINC000022075974 136278058 /nfs/dbraw/zinc/27/80/58/136278058.db2.gz IHCGNMPHWXIIIU-NSHDSACASA-N 2 2 238.331 0.755 40 0 BCABLP COc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1 ZINC000022076132 536891047 /nfs/dbraw/zinc/89/10/47/536891047.db2.gz FWRWQAGATRJDOT-NSHDSACASA-N 2 2 238.331 0.755 40 0 BCABLP COC(=O)[C@H](C)C[NH2+]CC[NH+]1CCCCC1 ZINC000047219165 343559643 /nfs/dbraw/zinc/55/96/43/343559643.db2.gz ONPAOCJDMSHNKS-LLVKDONJSA-N 2 2 228.336 0.871 40 0 BCABLP [NH2+]=C(C[N@@H+]1CC[C@@]2(C1)CCCCO2)NO ZINC000409428352 343803227 /nfs/dbraw/zinc/80/32/27/343803227.db2.gz MFZSNOGBEDKPSH-SNVBAGLBSA-N 2 2 213.281 0.587 40 0 BCABLP [NH2+]=C(C[N@H+]1CC[C@@]2(C1)CCCCO2)NO ZINC000409428352 343803229 /nfs/dbraw/zinc/80/32/29/343803229.db2.gz MFZSNOGBEDKPSH-SNVBAGLBSA-N 2 2 213.281 0.587 40 0 BCABLP Cn1ccc(C2CC[NH+](CC[NH3+])CC2)n1 ZINC000409423735 343815879 /nfs/dbraw/zinc/81/58/79/343815879.db2.gz AIKZBHCDSQUTGM-UHFFFAOYSA-N 2 2 208.309 0.558 40 0 BCABLP [NH3+]C[C@@H]([NH3+])c1ccc2c(c1)OC(F)(F)O2 ZINC000044470338 181419322 /nfs/dbraw/zinc/41/93/22/181419322.db2.gz YSUUJFAMBVQLEW-ZCFIWIBFSA-N 2 2 216.187 0.967 40 0 BCABLP CC(=O)N1CCC[C@H]([N@H+](CC[NH3+])C2CC2)C1 ZINC000079405739 384135951 /nfs/dbraw/zinc/13/59/51/384135951.db2.gz JDFIVDFDWGCQPW-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N1CCC[C@H]([N@@H+](CC[NH3+])C2CC2)C1 ZINC000079405739 384135954 /nfs/dbraw/zinc/13/59/54/384135954.db2.gz JDFIVDFDWGCQPW-LBPRGKRZSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(C)C ZINC000079416827 384139584 /nfs/dbraw/zinc/13/95/84/384139584.db2.gz HBNKUBYHKIAKJG-CYBMUJFWSA-N 2 2 241.379 0.914 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(C)C ZINC000079416827 384139587 /nfs/dbraw/zinc/13/95/87/384139587.db2.gz HBNKUBYHKIAKJG-CYBMUJFWSA-N 2 2 241.379 0.914 40 0 BCABLP COC[C@@H]1C[NH2+]CC[N@H+](Cc2cccnc2)C1 ZINC000072354444 384211524 /nfs/dbraw/zinc/21/15/24/384211524.db2.gz YIIWYKYCMFFQFL-CYBMUJFWSA-N 2 2 235.331 0.749 40 0 BCABLP COC[C@@H]1C[NH2+]CC[N@@H+](Cc2cccnc2)C1 ZINC000072354444 384211529 /nfs/dbraw/zinc/21/15/29/384211529.db2.gz YIIWYKYCMFFQFL-CYBMUJFWSA-N 2 2 235.331 0.749 40 0 BCABLP CSCC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CO ZINC000096523461 385268117 /nfs/dbraw/zinc/26/81/17/385268117.db2.gz MQFYDCIFDYLMIN-VHSXEESVSA-N 2 2 218.366 0.524 40 0 BCABLP CSCC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CO ZINC000096523461 385268122 /nfs/dbraw/zinc/26/81/22/385268122.db2.gz MQFYDCIFDYLMIN-VHSXEESVSA-N 2 2 218.366 0.524 40 0 BCABLP O=C(C1CC1)N1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000019677881 385296505 /nfs/dbraw/zinc/29/65/05/385296505.db2.gz KKAGJYBURYMNOC-UHFFFAOYSA-N 2 2 237.347 0.293 40 0 BCABLP Cc1cc(NC2CCCC2)nc(NCC[NH3+])[nH+]1 ZINC000409428837 385326851 /nfs/dbraw/zinc/32/68/51/385326851.db2.gz PBSQQKCUFJOJLF-UHFFFAOYSA-N 2 2 235.335 0.354 40 0 BCABLP Cc1c[nH]c([C@H]2CCCN(C(=O)C[NH3+])C2)[nH+]1 ZINC000257304599 385760382 /nfs/dbraw/zinc/76/03/82/385760382.db2.gz SMIZREMUKJDQKA-VIFPVBQESA-N 2 2 222.292 0.383 40 0 BCABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[NH2+]CC1 ZINC000257310072 385762250 /nfs/dbraw/zinc/76/22/50/385762250.db2.gz UDOGHXOTCUVMEJ-NSHDSACASA-N 2 2 235.291 0.088 40 0 BCABLP Nc1nc2c(c(N)[nH+]1)C[C@@]1(CCC[NH2+]CC1)O2 ZINC000257310072 385762254 /nfs/dbraw/zinc/76/22/54/385762254.db2.gz UDOGHXOTCUVMEJ-NSHDSACASA-N 2 2 235.291 0.088 40 0 BCABLP CC[NH+](CC)CCC[NH2+]Cc1cnc(N)nc1 ZINC000062718381 385726301 /nfs/dbraw/zinc/72/63/01/385726301.db2.gz PUZCVNMLZDOEPF-UHFFFAOYSA-N 2 2 237.351 0.880 40 0 BCABLP Cc1nn(C)cc1C[NH2+]CCC[NH+](C)C ZINC000125919859 387852029 /nfs/dbraw/zinc/85/20/29/387852029.db2.gz KUSXFWCXTBLPNA-UHFFFAOYSA-N 2 2 210.325 0.770 40 0 BCABLP [NH3+]C1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000044029873 132353642 /nfs/dbraw/zinc/35/36/42/132353642.db2.gz FQGAOBNIEDSLMW-UHFFFAOYSA-N 2 2 233.319 0.978 40 0 BCABLP [NH3+]C1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000044029873 132353645 /nfs/dbraw/zinc/35/36/45/132353645.db2.gz FQGAOBNIEDSLMW-UHFFFAOYSA-N 2 2 233.319 0.978 40 0 BCABLP COCC[N@H+](CCCC[NH3+])C1CC[NH+](C)CC1 ZINC000096523767 174291132 /nfs/dbraw/zinc/29/11/32/174291132.db2.gz YEYJIEAPMBCLRO-UHFFFAOYSA-N 3 2 243.395 0.768 40 0 BCABLP COCC[N@@H+](CCCC[NH3+])C1CC[NH+](C)CC1 ZINC000096523767 174291133 /nfs/dbraw/zinc/29/11/33/174291133.db2.gz YEYJIEAPMBCLRO-UHFFFAOYSA-N 3 2 243.395 0.768 40 0 BCABLP COC(=O)[C@@H](C)C[NH2+]CCC[NH+]1CCOCC1 ZINC000035133530 343286177 /nfs/dbraw/zinc/28/61/77/343286177.db2.gz PKFICPSRCUWLEB-NSHDSACASA-N 2 2 244.335 0.107 40 0 BCABLP CCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049280633 343782092 /nfs/dbraw/zinc/78/20/92/343782092.db2.gz ITOCXBYCDXOCSL-NSHDSACASA-N 2 2 227.352 0.573 40 0 BCABLP CCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049280633 343782093 /nfs/dbraw/zinc/78/20/93/343782093.db2.gz ITOCXBYCDXOCSL-NSHDSACASA-N 2 2 227.352 0.573 40 0 BCABLP CO[C@@H]1CCO[C@]2(CC[N@H+](CC[NH3+])C2)C1 ZINC000409436122 343837561 /nfs/dbraw/zinc/83/75/61/343837561.db2.gz YGUKYQSWIUCBHE-GHMZBOCLSA-N 2 2 214.309 0.215 40 0 BCABLP CO[C@@H]1CCO[C@]2(CC[N@@H+](CC[NH3+])C2)C1 ZINC000409436122 343837563 /nfs/dbraw/zinc/83/75/63/343837563.db2.gz YGUKYQSWIUCBHE-GHMZBOCLSA-N 2 2 214.309 0.215 40 0 BCABLP CN(c1cc(N)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000087805619 344236783 /nfs/dbraw/zinc/23/67/83/344236783.db2.gz JSAUPHWOZVDQFU-UHFFFAOYSA-N 2 2 221.308 0.589 40 0 BCABLP CN(c1cc(N)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000087805619 344236785 /nfs/dbraw/zinc/23/67/85/344236785.db2.gz JSAUPHWOZVDQFU-UHFFFAOYSA-N 2 2 221.308 0.589 40 0 BCABLP CSCC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CO ZINC000242554635 345155384 /nfs/dbraw/zinc/15/53/84/345155384.db2.gz MQFYDCIFDYLMIN-ZJUUUORDSA-N 2 2 218.366 0.524 40 0 BCABLP CSCC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CO ZINC000242554635 345155386 /nfs/dbraw/zinc/15/53/86/345155386.db2.gz MQFYDCIFDYLMIN-ZJUUUORDSA-N 2 2 218.366 0.524 40 0 BCABLP Cc1nc(N2CC[C@@H]([NH3+])C2)c2c([nH+]1)CCC2 ZINC000096516908 180067782 /nfs/dbraw/zinc/06/77/82/180067782.db2.gz GDLOVUCFCNMELP-SECBINFHSA-N 2 2 218.304 0.811 40 0 BCABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000041027503 180337087 /nfs/dbraw/zinc/33/70/87/180337087.db2.gz PQEHYBDDXZAOHF-LLVKDONJSA-N 2 2 222.336 0.960 40 0 BCABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000041027503 180337089 /nfs/dbraw/zinc/33/70/89/180337089.db2.gz PQEHYBDDXZAOHF-LLVKDONJSA-N 2 2 222.336 0.960 40 0 BCABLP CC(C)[N@H+](C)Cc1[nH]nc2c1CC[NH2+]C2 ZINC000306140171 188218480 /nfs/dbraw/zinc/21/84/80/188218480.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 2 2 208.309 0.896 40 0 BCABLP CC(C)[N@@H+](C)Cc1[nH]nc2c1CC[NH2+]C2 ZINC000306140171 188218481 /nfs/dbraw/zinc/21/84/81/188218481.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 2 2 208.309 0.896 40 0 BCABLP FCCN1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000113542597 368894985 /nfs/dbraw/zinc/89/49/85/368894985.db2.gz MIOIJMGCLCNPFK-UHFFFAOYSA-N 2 2 215.316 0.326 40 0 BCABLP FCC[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000113542597 368894993 /nfs/dbraw/zinc/89/49/93/368894993.db2.gz MIOIJMGCLCNPFK-UHFFFAOYSA-N 2 2 215.316 0.326 40 0 BCABLP CCC[N@@H+]1CCc2nc(NN)[nH+]c(C)c2C1 ZINC000049474132 169209351 /nfs/dbraw/zinc/20/93/51/169209351.db2.gz ZEYGPPKGQJMJII-UHFFFAOYSA-N 2 2 221.308 0.839 40 0 BCABLP CCC[N@H+]1CCc2nc(NN)[nH+]c(C)c2C1 ZINC000049474132 169209353 /nfs/dbraw/zinc/20/93/53/169209353.db2.gz ZEYGPPKGQJMJII-UHFFFAOYSA-N 2 2 221.308 0.839 40 0 BCABLP CCC[N@@H+]1CCc2[nH+]c(NN)nc(C)c2C1 ZINC000049474132 169209354 /nfs/dbraw/zinc/20/93/54/169209354.db2.gz ZEYGPPKGQJMJII-UHFFFAOYSA-N 2 2 221.308 0.839 40 0 BCABLP CCC[N@H+]1CCc2[nH+]c(NN)nc(C)c2C1 ZINC000049474132 169209356 /nfs/dbraw/zinc/20/93/56/169209356.db2.gz ZEYGPPKGQJMJII-UHFFFAOYSA-N 2 2 221.308 0.839 40 0 BCABLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000079408278 384137360 /nfs/dbraw/zinc/13/73/60/384137360.db2.gz ZYFLJFTUVYURQF-SNVBAGLBSA-N 2 2 243.351 0.934 40 0 BCABLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CC[NH3+] ZINC000079408278 384137365 /nfs/dbraw/zinc/13/73/65/384137365.db2.gz ZYFLJFTUVYURQF-SNVBAGLBSA-N 2 2 243.351 0.934 40 0 BCABLP CC(=O)N(C1CC1)C1CC[NH+](CC[NH3+])CC1 ZINC000079416863 384139163 /nfs/dbraw/zinc/13/91/63/384139163.db2.gz KKWXJIGAHOBQFU-UHFFFAOYSA-N 2 2 225.336 0.420 40 0 BCABLP CC(C)[N@H+](C)CC1CC[NH+](CC[NH3+])CC1 ZINC000079419027 384144121 /nfs/dbraw/zinc/14/41/21/384144121.db2.gz COQRSQXIPOVMEM-UHFFFAOYSA-N 3 2 213.369 0.997 40 0 BCABLP CC(C)[N@@H+](C)CC1CC[NH+](CC[NH3+])CC1 ZINC000079419027 384144125 /nfs/dbraw/zinc/14/41/25/384144125.db2.gz COQRSQXIPOVMEM-UHFFFAOYSA-N 3 2 213.369 0.997 40 0 BCABLP C1CC([N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)C1 ZINC000096049054 384429670 /nfs/dbraw/zinc/42/96/70/384429670.db2.gz RRYHLNJEIXCAQR-GFCCVEGCSA-N 2 2 210.321 0.993 40 0 BCABLP C1CC([N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)C1 ZINC000096049054 384429677 /nfs/dbraw/zinc/42/96/77/384429677.db2.gz RRYHLNJEIXCAQR-GFCCVEGCSA-N 2 2 210.321 0.993 40 0 BCABLP COCC[N@H+](CCc1ccncc1)C[C@@H](C)[NH3+] ZINC000096523929 385270831 /nfs/dbraw/zinc/27/08/31/385270831.db2.gz PWWMAYRKSWEPKW-GFCCVEGCSA-N 2 2 237.347 0.920 40 0 BCABLP COCC[N@@H+](CCc1ccncc1)C[C@@H](C)[NH3+] ZINC000096523929 385270838 /nfs/dbraw/zinc/27/08/38/385270838.db2.gz PWWMAYRKSWEPKW-GFCCVEGCSA-N 2 2 237.347 0.920 40 0 BCABLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261576989 388628294 /nfs/dbraw/zinc/62/82/94/388628294.db2.gz KSGQHELSDCSWGZ-VXGBXAGGSA-N 2 2 220.320 0.461 40 0 BCABLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261576989 388628300 /nfs/dbraw/zinc/62/83/00/388628300.db2.gz KSGQHELSDCSWGZ-VXGBXAGGSA-N 2 2 220.320 0.461 40 0 BCABLP Cc1cc(N)nc(N2CC[NH+](C)CC2)[nH+]1 ZINC000050845172 132359605 /nfs/dbraw/zinc/35/96/05/132359605.db2.gz DJOBNETYAZXHOH-UHFFFAOYSA-N 2 2 207.281 0.119 40 0 BCABLP [NH3+]C[C@@H]1CCCCN1CCn1cc[nH+]c1 ZINC000044559159 398081911 /nfs/dbraw/zinc/08/19/11/398081911.db2.gz MWIKHXUGUWGYQG-NSHDSACASA-N 2 2 208.309 0.696 40 0 BCABLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCn1ccnc1 ZINC000044559159 398081912 /nfs/dbraw/zinc/08/19/12/398081912.db2.gz MWIKHXUGUWGYQG-NSHDSACASA-N 2 2 208.309 0.696 40 0 BCABLP [NH3+]C[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000044559159 398081914 /nfs/dbraw/zinc/08/19/14/398081914.db2.gz MWIKHXUGUWGYQG-NSHDSACASA-N 2 2 208.309 0.696 40 0 BCABLP CCOC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037814 170240380 /nfs/dbraw/zinc/24/03/80/170240380.db2.gz SQCPREVEQCOKSE-UHFFFAOYSA-N 2 2 215.297 0.109 40 0 BCABLP CCNc1cc(C)[nH+]c(N2CCC[NH2+]CC2)n1 ZINC000409429879 411650101 /nfs/dbraw/zinc/65/01/01/411650101.db2.gz UELMFDBHWHCPJR-UHFFFAOYSA-N 2 2 235.335 1.017 40 0 BCABLP C[NH+]1CCC(c2c[nH+]cn2CCO)CC1 ZINC000072381212 173001398 /nfs/dbraw/zinc/00/13/98/173001398.db2.gz RMDNZYQIZMGURJ-UHFFFAOYSA-N 2 2 209.293 0.685 40 0 BCABLP C[NH+]1CCCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072374026 173175891 /nfs/dbraw/zinc/17/58/91/173175891.db2.gz RRKZRJNFAYRMEE-JTQLQIEISA-N 2 2 235.335 0.880 40 0 BCABLP C[NH+]1CCCC[C@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072374026 173175894 /nfs/dbraw/zinc/17/58/94/173175894.db2.gz RRKZRJNFAYRMEE-JTQLQIEISA-N 2 2 235.335 0.880 40 0 BCABLP C[NH+]1CCn2c(nnc2[C@@H]2CCCC[N@@H+]2C)C1 ZINC000072374026 173175896 /nfs/dbraw/zinc/17/58/96/173175896.db2.gz RRKZRJNFAYRMEE-JTQLQIEISA-N 2 2 235.335 0.880 40 0 BCABLP C[NH+]1CCn2c(nnc2[C@@H]2CCCC[N@H+]2C)C1 ZINC000072374026 173175898 /nfs/dbraw/zinc/17/58/98/173175898.db2.gz RRKZRJNFAYRMEE-JTQLQIEISA-N 2 2 235.335 0.880 40 0 BCABLP CC[NH+]1CCN(c2nc(NC)cc(C)[nH+]2)CC1 ZINC000074934135 490309710 /nfs/dbraw/zinc/30/97/10/490309710.db2.gz LRKVQWVJJDQQPX-UHFFFAOYSA-N 2 2 235.335 0.969 40 0 BCABLP C[NH+](C)[C@@H]1C[NH2+]CC[C@H]1C(=O)N1CCCC1 ZINC000217683825 398323564 /nfs/dbraw/zinc/32/35/64/398323564.db2.gz BMJMNEZCRSMWQM-GHMZBOCLSA-N 2 2 225.336 0.149 40 0 BCABLP C[NH+](C)[C@H]1C[NH2+]CC[C@@H]1C(=O)N1CCCC1 ZINC000217683747 398323609 /nfs/dbraw/zinc/32/36/09/398323609.db2.gz BMJMNEZCRSMWQM-QWRGUYRKSA-N 2 2 225.336 0.149 40 0 BCABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccncc1 ZINC000022074987 136277809 /nfs/dbraw/zinc/27/78/09/136277809.db2.gz ACMBNIYXLBUBAT-SNVBAGLBSA-N 2 2 209.293 0.142 40 0 BCABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccnc1 ZINC000022074995 136277870 /nfs/dbraw/zinc/27/78/70/136277870.db2.gz UDQPLXOTTUBTDU-JTQLQIEISA-N 2 2 209.293 0.142 40 0 BCABLP COc1cccc(C[NH2+]CC[NH2+]C[C@@H](C)O)c1 ZINC000022075972 136278016 /nfs/dbraw/zinc/27/80/16/136278016.db2.gz IHCGNMPHWXIIIU-LLVKDONJSA-N 2 2 238.331 0.755 40 0 BCABLP COC(=O)C[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000047219162 343559746 /nfs/dbraw/zinc/55/97/46/343559746.db2.gz NBHLIWJPVRUEJC-JTQLQIEISA-N 2 2 214.309 0.623 40 0 BCABLP Nc1cc(NCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000112749969 343786079 /nfs/dbraw/zinc/78/60/79/343786079.db2.gz LLFLGSXERBZSQA-UHFFFAOYSA-N 2 2 237.307 0.193 40 0 BCABLP COC[C@H]1C[N@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409426646 343798501 /nfs/dbraw/zinc/79/85/01/343798501.db2.gz CTFQOCXLMBUNPP-SFYZADRCSA-N 2 2 226.242 0.702 40 0 BCABLP COC[C@H]1C[N@@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409426646 343798503 /nfs/dbraw/zinc/79/85/03/343798503.db2.gz CTFQOCXLMBUNPP-SFYZADRCSA-N 2 2 226.242 0.702 40 0 BCABLP [NH3+]CC[N@H+]1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000409429008 343804535 /nfs/dbraw/zinc/80/45/35/343804535.db2.gz HFUJPHAOIQSVIL-STQMWFEESA-N 2 2 220.316 0.653 40 0 BCABLP [NH3+]CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000409429008 343804537 /nfs/dbraw/zinc/80/45/37/343804537.db2.gz HFUJPHAOIQSVIL-STQMWFEESA-N 2 2 220.316 0.653 40 0 BCABLP COC[C@H]1C[N@H+](CC(=[NH2+])NO)C[C@@H]1C ZINC000409429186 343805118 /nfs/dbraw/zinc/80/51/18/343805118.db2.gz OBZHUIZZQIPULA-JGVFFNPUSA-N 2 2 201.270 0.157 40 0 BCABLP COC[C@H]1C[N@@H+](CC(=[NH2+])NO)C[C@@H]1C ZINC000409429186 343805120 /nfs/dbraw/zinc/80/51/20/343805120.db2.gz OBZHUIZZQIPULA-JGVFFNPUSA-N 2 2 201.270 0.157 40 0 BCABLP CO[C@@H]1CCO[C@@]2(CC[N@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434363 343831633 /nfs/dbraw/zinc/83/16/33/343831633.db2.gz OVJDXKKYNXZBCP-KOLCDFICSA-N 2 2 243.307 0.212 40 0 BCABLP CO[C@@H]1CCO[C@@]2(CC[N@@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434363 343831634 /nfs/dbraw/zinc/83/16/34/343831634.db2.gz OVJDXKKYNXZBCP-KOLCDFICSA-N 2 2 243.307 0.212 40 0 BCABLP CN1C[C@]2(CCC[N@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099372 344131881 /nfs/dbraw/zinc/13/18/81/344131881.db2.gz HQKNYTJASOLAHW-ZDUSSCGKSA-N 2 2 248.330 0.474 40 0 BCABLP CN1C[C@]2(CCC[N@@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099372 344131884 /nfs/dbraw/zinc/13/18/84/344131884.db2.gz HQKNYTJASOLAHW-ZDUSSCGKSA-N 2 2 248.330 0.474 40 0 BCABLP C[NH+]1CCC(Nc2cc(N)nc[nH+]2)CC1 ZINC000087810400 345941829 /nfs/dbraw/zinc/94/18/29/345941829.db2.gz CCPCBZDAJQIRIY-UHFFFAOYSA-N 2 2 207.281 0.565 40 0 BCABLP Cc1nn(C)c(C)c1CC[N@H+](C)CC[NH3+] ZINC000096523726 180335590 /nfs/dbraw/zinc/33/55/90/180335590.db2.gz DKJUJUZEKHXVKA-UHFFFAOYSA-N 2 2 210.325 0.470 40 0 BCABLP Cc1nn(C)c(C)c1CC[N@@H+](C)CC[NH3+] ZINC000096523726 180335591 /nfs/dbraw/zinc/33/55/91/180335591.db2.gz DKJUJUZEKHXVKA-UHFFFAOYSA-N 2 2 210.325 0.470 40 0 BCABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000031993149 180338733 /nfs/dbraw/zinc/33/87/33/180338733.db2.gz PQEHYBDDXZAOHF-NSHDSACASA-N 2 2 222.336 0.960 40 0 BCABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000031993149 180338737 /nfs/dbraw/zinc/33/87/37/180338737.db2.gz PQEHYBDDXZAOHF-NSHDSACASA-N 2 2 222.336 0.960 40 0 BCABLP NC(=[NH2+])c1c(F)c(F)c(C(N)=[NH2+])c(F)c1F ZINC000001444966 181192498 /nfs/dbraw/zinc/19/24/98/181192498.db2.gz KMUBDCOLCJILAB-UHFFFAOYSA-N 2 2 234.156 0.811 40 0 BCABLP CCN(CC1CC[NH+](CC[NH3+])CC1)C(C)=O ZINC000079416771 384139370 /nfs/dbraw/zinc/13/93/70/384139370.db2.gz ZPGAHDQLLKZNAL-UHFFFAOYSA-N 2 2 227.352 0.526 40 0 BCABLP CCN(C(C)=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416750 384139457 /nfs/dbraw/zinc/13/94/57/384139457.db2.gz OBLJFUQFJLVJRD-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CCN(C(C)=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416750 384139461 /nfs/dbraw/zinc/13/94/61/384139461.db2.gz OBLJFUQFJLVJRD-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N(C1CC1)[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000079416836 384139476 /nfs/dbraw/zinc/13/94/76/384139476.db2.gz NOGHGZZAYOOCPL-LLVKDONJSA-N 2 2 211.309 0.030 40 0 BCABLP CC(=O)N(C1CC1)[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000079416836 384139478 /nfs/dbraw/zinc/13/94/78/384139478.db2.gz NOGHGZZAYOOCPL-LLVKDONJSA-N 2 2 211.309 0.030 40 0 BCABLP CCN(C(C)=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416746 384139923 /nfs/dbraw/zinc/13/99/23/384139923.db2.gz OBLJFUQFJLVJRD-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CCN(C(C)=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416746 384139925 /nfs/dbraw/zinc/13/99/25/384139925.db2.gz OBLJFUQFJLVJRD-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP C(c1nnc2n1CCC[NH2+]C2)[NH+]1CCCCC1 ZINC000096259720 384447170 /nfs/dbraw/zinc/44/71/70/384447170.db2.gz RJOIIPLGLGQFCY-UHFFFAOYSA-N 2 2 235.335 0.757 40 0 BCABLP CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[NH3+] ZINC000079405588 384493741 /nfs/dbraw/zinc/49/37/41/384493741.db2.gz ITSZHSZFIOHRKQ-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[NH3+] ZINC000079405588 384493742 /nfs/dbraw/zinc/49/37/42/384493742.db2.gz ITSZHSZFIOHRKQ-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP [NH3+][C@@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000050243803 384608606 /nfs/dbraw/zinc/60/86/06/384608606.db2.gz KYBNUZNHFKVFGW-SNVBAGLBSA-N 2 2 216.288 0.867 40 0 BCABLP [NH3+]CCn1ncc2c1nc[nH+]c2N1CCCC1 ZINC000026421571 384873152 /nfs/dbraw/zinc/87/31/52/384873152.db2.gz SLJRHPHHHYZCHG-UHFFFAOYSA-N 2 2 232.291 0.385 40 0 BCABLP c1[nH+]c2ccccn2c1CN1CC[NH2+]CC1 ZINC000031933436 385112121 /nfs/dbraw/zinc/11/21/21/385112121.db2.gz XYCIUQFYKAYGNM-UHFFFAOYSA-N 2 2 216.288 0.740 40 0 BCABLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000019843143 385296767 /nfs/dbraw/zinc/29/67/67/385296767.db2.gz GOWPLMKBVLQQDD-NSHDSACASA-N 2 2 239.363 0.716 40 0 BCABLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000019843143 385296772 /nfs/dbraw/zinc/29/67/72/385296772.db2.gz GOWPLMKBVLQQDD-NSHDSACASA-N 2 2 239.363 0.716 40 0 BCABLP c1cn(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c[nH+]1 ZINC000096240694 387024061 /nfs/dbraw/zinc/02/40/61/387024061.db2.gz DLQBTNVICVZLOG-NEPJUHHUSA-N 2 2 237.303 0.278 40 0 BCABLP Nc1ncc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000062717397 388655866 /nfs/dbraw/zinc/65/58/66/388655866.db2.gz VHEOPBYDDPKRRQ-UHFFFAOYSA-N 2 2 232.291 0.435 40 0 BCABLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)CC12COC2 ZINC000095913229 388788690 /nfs/dbraw/zinc/78/86/90/388788690.db2.gz LLMKHEIMRUSUMD-GFCCVEGCSA-N 2 2 218.300 0.846 40 0 BCABLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)CC12COC2 ZINC000095913229 388788694 /nfs/dbraw/zinc/78/86/94/388788694.db2.gz LLMKHEIMRUSUMD-GFCCVEGCSA-N 2 2 218.300 0.846 40 0 BCABLP CC1CCN(C(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC000036754712 168172346 /nfs/dbraw/zinc/17/23/46/168172346.db2.gz GPZMTARPSIOJCI-UHFFFAOYSA-N 2 2 239.363 0.668 40 0 BCABLP CC1CCN(C(=O)C[NH2+]CCC[NH+](C)C)CC1 ZINC000026439539 168172379 /nfs/dbraw/zinc/17/23/79/168172379.db2.gz YJMNDHWVRUBFOF-UHFFFAOYSA-N 2 2 241.379 0.786 40 0 BCABLP CCOC(=O)CC[NH2+]CC[NH+]1CCCC1 ZINC000044289487 170209688 /nfs/dbraw/zinc/20/96/88/170209688.db2.gz FCNSACLGZAQMRS-UHFFFAOYSA-N 2 2 214.309 0.625 40 0 BCABLP C[NH+](C)CCC[NH2+]CC(=O)N1CCCCC1 ZINC000020054196 172439359 /nfs/dbraw/zinc/43/93/59/172439359.db2.gz FXCPAERJKKDIJD-UHFFFAOYSA-N 2 2 227.352 0.540 40 0 BCABLP C[NH2+]CC(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257310248 173326619 /nfs/dbraw/zinc/32/66/19/173326619.db2.gz UEJLOSOSKMLOHX-JTQLQIEISA-N 2 2 236.319 0.644 40 0 BCABLP C[C@@H]1CCCCN1C(=O)C[NH2+]CCC[NH+](C)C ZINC000026439522 176066278 /nfs/dbraw/zinc/06/62/78/176066278.db2.gz QWOPQOICJRKEKY-GFCCVEGCSA-N 2 2 241.379 0.929 40 0 BCABLP [NH3+]Cc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000050224549 343782491 /nfs/dbraw/zinc/78/24/91/343782491.db2.gz PQZPHYCTUHJIRF-UHFFFAOYSA-N 2 2 228.259 0.433 40 0 BCABLP [NH2+]=C(C[N@@H+]1CC[C@]2(C1)CCCCO2)NO ZINC000409428345 343803124 /nfs/dbraw/zinc/80/31/24/343803124.db2.gz MFZSNOGBEDKPSH-JTQLQIEISA-N 2 2 213.281 0.587 40 0 BCABLP COC[C@@H]1C[N@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409426648 343798594 /nfs/dbraw/zinc/79/85/94/343798594.db2.gz CTFQOCXLMBUNPP-YUMQZZPRSA-N 2 2 226.242 0.702 40 0 BCABLP COC[C@@H]1C[N@@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409426648 343798595 /nfs/dbraw/zinc/79/85/95/343798595.db2.gz CTFQOCXLMBUNPP-YUMQZZPRSA-N 2 2 226.242 0.702 40 0 BCABLP [NH2+]=C(C[N@H+]1CC[C@]2(C1)CCCCO2)NO ZINC000409428345 343803126 /nfs/dbraw/zinc/80/31/26/343803126.db2.gz MFZSNOGBEDKPSH-JTQLQIEISA-N 2 2 213.281 0.587 40 0 BCABLP CO[C@@H]1CCO[C@]2(CC[N@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434364 343831571 /nfs/dbraw/zinc/83/15/71/343831571.db2.gz OVJDXKKYNXZBCP-MWLCHTKSSA-N 2 2 243.307 0.212 40 0 BCABLP CO[C@@H]1CCO[C@]2(CC[N@@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434364 343831572 /nfs/dbraw/zinc/83/15/72/343831572.db2.gz OVJDXKKYNXZBCP-MWLCHTKSSA-N 2 2 243.307 0.212 40 0 BCABLP CO[C@H]1CCO[C@@]2(CC[N@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434365 343831615 /nfs/dbraw/zinc/83/16/15/343831615.db2.gz OVJDXKKYNXZBCP-ONGXEEELSA-N 2 2 243.307 0.212 40 0 BCABLP CO[C@H]1CCO[C@@]2(CC[N@@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434365 343831616 /nfs/dbraw/zinc/83/16/16/343831616.db2.gz OVJDXKKYNXZBCP-ONGXEEELSA-N 2 2 243.307 0.212 40 0 BCABLP CO[C@H]1C[N@H+](CCC[NH3+])C[C@H]1n1cc[nH+]c1 ZINC000409433483 343832714 /nfs/dbraw/zinc/83/27/14/343832714.db2.gz MVRDCEBVQZDTRX-MNOVXSKESA-N 3 2 224.308 0.104 40 0 BCABLP CO[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1n1cc[nH+]c1 ZINC000409433483 343832717 /nfs/dbraw/zinc/83/27/17/343832717.db2.gz MVRDCEBVQZDTRX-MNOVXSKESA-N 3 2 224.308 0.104 40 0 BCABLP C[N@@H+]1CCCN(c2cc(N)[nH+]cn2)CC1 ZINC000082427515 345909484 /nfs/dbraw/zinc/90/94/84/345909484.db2.gz GHFIXCAPXQJYGC-UHFFFAOYSA-N 2 2 207.281 0.201 40 0 BCABLP C[N@H+]1CCCN(c2cc(N)[nH+]cn2)CC1 ZINC000082427515 345909486 /nfs/dbraw/zinc/90/94/86/345909486.db2.gz GHFIXCAPXQJYGC-UHFFFAOYSA-N 2 2 207.281 0.201 40 0 BCABLP CC(=O)N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000200724567 346451849 /nfs/dbraw/zinc/45/18/49/346451849.db2.gz HJCJYDHOVTZMKU-SNVBAGLBSA-N 2 2 211.309 0.030 40 0 BCABLP CC(=O)N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000200724567 346451852 /nfs/dbraw/zinc/45/18/52/346451852.db2.gz HJCJYDHOVTZMKU-SNVBAGLBSA-N 2 2 211.309 0.030 40 0 BCABLP Cc1nn(C)c(C)c1CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000096523905 180336192 /nfs/dbraw/zinc/33/61/92/180336192.db2.gz VBVYTUMNDYMFMW-VIFPVBQESA-N 2 2 224.352 0.858 40 0 BCABLP Cc1nn(C)c(C)c1CC[N@H+](C)C[C@H](C)[NH3+] ZINC000096523905 180336193 /nfs/dbraw/zinc/33/61/93/180336193.db2.gz VBVYTUMNDYMFMW-VIFPVBQESA-N 2 2 224.352 0.858 40 0 BCABLP CC(C)[C@H]([NH3+])CC[N@@H+]1CCCN(C)CC1 ZINC000096523794 188147871 /nfs/dbraw/zinc/14/78/71/188147871.db2.gz WVWCPSJSOSQZFK-GFCCVEGCSA-N 2 2 213.369 0.997 40 0 BCABLP CC(C)[C@H]([NH3+])CC[N@H+]1CCCN(C)CC1 ZINC000096523794 188147873 /nfs/dbraw/zinc/14/78/73/188147873.db2.gz WVWCPSJSOSQZFK-GFCCVEGCSA-N 2 2 213.369 0.997 40 0 BCABLP CC[N@H+](CC[NH3+])C[C@H]1CCCN1C(C)=O ZINC000079405604 384134010 /nfs/dbraw/zinc/13/40/10/384134010.db2.gz JWJQPEPCFLVXRT-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CC[N@@H+](CC[NH3+])C[C@H]1CCCN1C(C)=O ZINC000079405604 384134016 /nfs/dbraw/zinc/13/40/16/384134016.db2.gz JWJQPEPCFLVXRT-LLVKDONJSA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N1CCC[C@@H]1C[N@H+](CC[NH3+])C1CC1 ZINC000079405715 384136870 /nfs/dbraw/zinc/13/68/70/384136870.db2.gz MIXYAWTXSYBGIJ-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N1CCC[C@@H]1C[N@@H+](CC[NH3+])C1CC1 ZINC000079405715 384136875 /nfs/dbraw/zinc/13/68/75/384136875.db2.gz MIXYAWTXSYBGIJ-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP CCN(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(C)=O ZINC000079416755 384139929 /nfs/dbraw/zinc/13/99/29/384139929.db2.gz ZOJGWMMJAISDMA-LBPRGKRZSA-N 2 2 227.352 0.668 40 0 BCABLP CCN(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(C)=O ZINC000079416755 384139932 /nfs/dbraw/zinc/13/99/32/384139932.db2.gz ZOJGWMMJAISDMA-LBPRGKRZSA-N 2 2 227.352 0.668 40 0 BCABLP C1CC([N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)C1 ZINC000096049053 384428730 /nfs/dbraw/zinc/42/87/30/384428730.db2.gz RRYHLNJEIXCAQR-LBPRGKRZSA-N 2 2 210.321 0.993 40 0 BCABLP C1CC([N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)C1 ZINC000096049053 384428735 /nfs/dbraw/zinc/42/87/35/384428735.db2.gz RRYHLNJEIXCAQR-LBPRGKRZSA-N 2 2 210.321 0.993 40 0 BCABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[NH2+]CC2 ZINC000096197046 384443450 /nfs/dbraw/zinc/44/34/50/384443450.db2.gz USAYSDZFUXVKAI-UHFFFAOYSA-N 2 2 248.330 0.445 40 0 BCABLP CC(=O)N1CC[C@H]([N@H+](CC[NH3+])C2CC2)C1 ZINC000079405707 384493795 /nfs/dbraw/zinc/49/37/95/384493795.db2.gz MVHUJJUHDDLCOZ-NSHDSACASA-N 2 2 211.309 0.030 40 0 BCABLP CC(=O)N1CC[C@H]([N@@H+](CC[NH3+])C2CC2)C1 ZINC000079405707 384493798 /nfs/dbraw/zinc/49/37/98/384493798.db2.gz MVHUJJUHDDLCOZ-NSHDSACASA-N 2 2 211.309 0.030 40 0 BCABLP C[NH+]1CCC(N2CC[NH+](CCC[NH3+])CC2)CC1 ZINC000096523790 385266919 /nfs/dbraw/zinc/26/69/19/385266919.db2.gz PJWSALLNBUTHOT-UHFFFAOYSA-N 3 2 240.395 0.047 40 0 BCABLP C[NH+]1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC000096523790 385266925 /nfs/dbraw/zinc/26/69/25/385266925.db2.gz PJWSALLNBUTHOT-UHFFFAOYSA-N 3 2 240.395 0.047 40 0 BCABLP [NH3+]CCn1ncc2c1nc[nH+]c2NC1CC1 ZINC000096524252 385273885 /nfs/dbraw/zinc/27/38/85/385273885.db2.gz UGJFLEJMWTXEGS-UHFFFAOYSA-N 2 2 218.264 0.359 40 0 BCABLP Oc1c[nH+]c(C2CC2)nc1N1CC[NH2+]CC1 ZINC000396175017 385330309 /nfs/dbraw/zinc/33/03/09/385330309.db2.gz MZKIZBSHPCFJJG-UHFFFAOYSA-N 2 2 220.276 0.469 40 0 BCABLP [NH3+]C1CCN(c2cc(N3CCC3)[nH+]cn2)CC1 ZINC000409431339 385326805 /nfs/dbraw/zinc/32/68/05/385326805.db2.gz OWNJVLHMPHNMES-UHFFFAOYSA-N 2 2 233.319 0.614 40 0 BCABLP [NH3+]C1CCN(c2cc(N3CCC3)nc[nH+]2)CC1 ZINC000409431339 385326809 /nfs/dbraw/zinc/32/68/09/385326809.db2.gz OWNJVLHMPHNMES-UHFFFAOYSA-N 2 2 233.319 0.614 40 0 BCABLP C[NH2+][C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257263505 385758541 /nfs/dbraw/zinc/75/85/41/385758541.db2.gz LQFGFFRDSHVNOU-GMTAPVOTSA-N 2 2 209.293 0.947 40 0 BCABLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000218870394 386352584 /nfs/dbraw/zinc/35/25/84/386352584.db2.gz CIMOVVGNJOIJEJ-VXGBXAGGSA-N 2 2 227.352 0.178 40 0 BCABLP [NH3+][C@@H]1CCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000218870394 386352592 /nfs/dbraw/zinc/35/25/92/386352592.db2.gz CIMOVVGNJOIJEJ-VXGBXAGGSA-N 2 2 227.352 0.178 40 0 BCABLP CC[NH+](CC)C[C@@H]1CNCc2c[nH+]cn21 ZINC000248270522 386753005 /nfs/dbraw/zinc/75/30/05/386753005.db2.gz VOMSQNQHRMESJA-NSHDSACASA-N 2 2 208.309 0.869 40 0 BCABLP c1n[nH+]c(N2CC[NH2+]CC2)cc1N1CCCC1 ZINC000217514228 388375210 /nfs/dbraw/zinc/37/52/10/388375210.db2.gz DVONPRCMDXFYNB-UHFFFAOYSA-N 2 2 233.319 0.486 40 0 BCABLP [NH3+][C@H]1C[N@H+](Cc2ccccc2)CC12COC2 ZINC000095913228 388790334 /nfs/dbraw/zinc/79/03/34/388790334.db2.gz LLMKHEIMRUSUMD-LBPRGKRZSA-N 2 2 218.300 0.846 40 0 BCABLP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)CC12COC2 ZINC000095913228 388790337 /nfs/dbraw/zinc/79/03/37/388790337.db2.gz LLMKHEIMRUSUMD-LBPRGKRZSA-N 2 2 218.300 0.846 40 0 BCABLP CCn1nccc1C[NH+]1CCC([NH3+])CC1 ZINC000012398819 172266370 /nfs/dbraw/zinc/26/63/70/172266370.db2.gz NTXCWXBRMQDBTL-UHFFFAOYSA-N 2 2 208.309 0.826 40 0 BCABLP CN1CC[NH+](CCOc2cc[nH+]c(N)c2)CC1 ZINC000098175311 173082298 /nfs/dbraw/zinc/08/22/98/173082298.db2.gz WVXIDSOQIAHIMJ-UHFFFAOYSA-N 2 2 236.319 0.290 40 0 BCABLP COc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1 ZINC000022076130 536891308 /nfs/dbraw/zinc/89/13/08/536891308.db2.gz FWRWQAGATRJDOT-LLVKDONJSA-N 2 2 238.331 0.755 40 0 BCABLP CNc1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000259051152 342838341 /nfs/dbraw/zinc/83/83/41/342838341.db2.gz VTRGTUJPAFVDEC-UHFFFAOYSA-N 2 2 207.281 0.318 40 0 BCABLP COC(=O)[C@H](C)C[NH2+]CCC[NH+]1CCOCC1 ZINC000035133531 343286239 /nfs/dbraw/zinc/28/62/39/343286239.db2.gz PKFICPSRCUWLEB-LLVKDONJSA-N 2 2 244.335 0.107 40 0 BCABLP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000037729904 343352949 /nfs/dbraw/zinc/35/29/49/343352949.db2.gz XQFREXXPLPDFGA-MRVPVSSYSA-N 2 2 211.265 0.621 40 0 BCABLP COC(=O)[C@H](C)C[NH2+]CC[NH+]1CCCC1 ZINC000047219161 343559770 /nfs/dbraw/zinc/55/97/70/343559770.db2.gz CGLHPTMGLYTFRV-SNVBAGLBSA-N 2 2 214.309 0.481 40 0 BCABLP CC(C)CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049284427 343781803 /nfs/dbraw/zinc/78/18/03/343781803.db2.gz MGQWABYVDMPKQA-LBPRGKRZSA-N 2 2 241.379 0.819 40 0 BCABLP CC(C)CCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049284427 343781806 /nfs/dbraw/zinc/78/18/06/343781806.db2.gz MGQWABYVDMPKQA-LBPRGKRZSA-N 2 2 241.379 0.819 40 0 BCABLP [NH3+]CCC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000409426091 343821420 /nfs/dbraw/zinc/82/14/20/343821420.db2.gz HMBQKDOJFAXTRV-UHFFFAOYSA-N 3 2 243.420 0.848 40 0 BCABLP CCO[C@@H]1C[NH+](CC[NH3+])C[C@H]1OCC ZINC000409432100 343824880 /nfs/dbraw/zinc/82/48/80/343824880.db2.gz KVQJBSRVOCUECK-NXEZZACHSA-N 2 2 202.298 0.071 40 0 BCABLP CNc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc[nH+]1 ZINC000409432592 343827024 /nfs/dbraw/zinc/82/70/24/343827024.db2.gz WIAJSBFWWOOXQS-UWVGGRQHSA-N 2 2 233.319 0.516 40 0 BCABLP CNc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)[nH+]cn1 ZINC000409432592 343827026 /nfs/dbraw/zinc/82/70/26/343827026.db2.gz WIAJSBFWWOOXQS-UWVGGRQHSA-N 2 2 233.319 0.516 40 0 BCABLP Cn1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000409431106 343809723 /nfs/dbraw/zinc/80/97/23/343809723.db2.gz RYRLKVHSHSSAFU-JTQLQIEISA-N 2 2 208.309 0.558 40 0 BCABLP Cn1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000409431106 343809724 /nfs/dbraw/zinc/80/97/24/343809724.db2.gz RYRLKVHSHSSAFU-JTQLQIEISA-N 2 2 208.309 0.558 40 0 BCABLP Cc1nn(C)c(F)c1C[NH2+]CCC[NH+](C)C ZINC000256051042 180350552 /nfs/dbraw/zinc/35/05/52/180350552.db2.gz HMJVYUMTUYSEQP-UHFFFAOYSA-N 2 2 228.315 0.909 40 0 BCABLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH2+]CC1 ZINC000071606875 181327080 /nfs/dbraw/zinc/32/70/80/181327080.db2.gz LVLHNILVZVAAOK-UHFFFAOYSA-N 2 2 233.315 0.384 40 0 BCABLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000079408275 384138014 /nfs/dbraw/zinc/13/80/14/384138014.db2.gz ZYFLJFTUVYURQF-JTQLQIEISA-N 2 2 243.351 0.934 40 0 BCABLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000079408275 384138019 /nfs/dbraw/zinc/13/80/19/384138019.db2.gz ZYFLJFTUVYURQF-JTQLQIEISA-N 2 2 243.351 0.934 40 0 BCABLP CC(=O)N1CCC[C@@H]([N@H+](CC[NH3+])C2CC2)C1 ZINC000079405745 384135655 /nfs/dbraw/zinc/13/56/55/384135655.db2.gz JDFIVDFDWGCQPW-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N1CCC[C@@H]([N@@H+](CC[NH3+])C2CC2)C1 ZINC000079405745 384135658 /nfs/dbraw/zinc/13/56/58/384135658.db2.gz JDFIVDFDWGCQPW-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP CCN(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(C)=O ZINC000079416759 384138535 /nfs/dbraw/zinc/13/85/35/384138535.db2.gz ZOJGWMMJAISDMA-GFCCVEGCSA-N 2 2 227.352 0.668 40 0 BCABLP CCN(C[C@H]1CCCC[N@H+]1CC[NH3+])C(C)=O ZINC000079416759 384138543 /nfs/dbraw/zinc/13/85/43/384138543.db2.gz ZOJGWMMJAISDMA-GFCCVEGCSA-N 2 2 227.352 0.668 40 0 BCABLP Cc1c[nH+]c(N2CC[NH+](C)CC2)c(N)c1 ZINC000082532697 384235229 /nfs/dbraw/zinc/23/52/29/384235229.db2.gz PCDZOACRIDAPSV-UHFFFAOYSA-N 2 2 206.293 0.724 40 0 BCABLP c1cn2c(n1)C[NH2+]C[C@H](C[NH+]1CCCC1)C2 ZINC000096066954 384432037 /nfs/dbraw/zinc/43/20/37/384432037.db2.gz IWOPLAJLHFLLBG-LLVKDONJSA-N 2 2 220.320 0.698 40 0 BCABLP C[N@H+](CC1CC[NH+](CC[NH3+])CC1)C1CC1 ZINC000079419082 384496251 /nfs/dbraw/zinc/49/62/51/384496251.db2.gz ZBJPHRVHQQFVEP-UHFFFAOYSA-N 3 2 211.353 0.751 40 0 BCABLP C[N@@H+](CC1CC[NH+](CC[NH3+])CC1)C1CC1 ZINC000079419082 384496255 /nfs/dbraw/zinc/49/62/55/384496255.db2.gz ZBJPHRVHQQFVEP-UHFFFAOYSA-N 3 2 211.353 0.751 40 0 BCABLP Nc1ccc[nH+]c1NCCC[NH+]1CCOCC1 ZINC000020278621 384609930 /nfs/dbraw/zinc/60/99/30/384609930.db2.gz NOTNCCSZEAPCHP-UHFFFAOYSA-N 2 2 236.319 0.798 40 0 BCABLP CCOC(=O)[C@@H](C[NH3+])C(C)(C)[NH+]1CCOCC1 ZINC000072210412 385068618 /nfs/dbraw/zinc/06/86/18/385068618.db2.gz ONHMOHSIGMNEJT-SNVBAGLBSA-N 2 2 244.335 0.235 40 0 BCABLP [NH3+]C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000096517264 385255157 /nfs/dbraw/zinc/25/51/57/385255157.db2.gz IFXQAOUHDQQWBJ-UHFFFAOYSA-N 2 2 244.302 0.590 40 0 BCABLP [NH3+][C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000096517265 385255884 /nfs/dbraw/zinc/25/58/84/385255884.db2.gz GFOVDEYRGDPZGG-VIFPVBQESA-N 2 2 230.275 0.200 40 0 BCABLP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)n[nH]1 ZINC000096523643 385269391 /nfs/dbraw/zinc/26/93/91/385269391.db2.gz BBYORTUGIRCDGV-UHFFFAOYSA-N 2 2 208.309 0.889 40 0 BCABLP COCC[N@H+](CCc1ccncc1)C[C@H](C)[NH3+] ZINC000096523928 385272298 /nfs/dbraw/zinc/27/22/98/385272298.db2.gz PWWMAYRKSWEPKW-LBPRGKRZSA-N 2 2 237.347 0.920 40 0 BCABLP COCC[N@@H+](CCc1ccncc1)C[C@H](C)[NH3+] ZINC000096523928 385272303 /nfs/dbraw/zinc/27/23/03/385272303.db2.gz PWWMAYRKSWEPKW-LBPRGKRZSA-N 2 2 237.347 0.920 40 0 BCABLP C[C@H]([NH3+])CN1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000096523918 385272773 /nfs/dbraw/zinc/27/27/73/385272773.db2.gz QUBCEUKYJHEVMY-LBPRGKRZSA-N 3 2 240.395 0.045 40 0 BCABLP CSCC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CO ZINC000242554634 387223991 /nfs/dbraw/zinc/22/39/91/387223991.db2.gz MQFYDCIFDYLMIN-UWVGGRQHSA-N 2 2 218.366 0.524 40 0 BCABLP CSCC[C@H]([NH3+])C[N@H+]1CCC[C@H]1CO ZINC000242554634 387223993 /nfs/dbraw/zinc/22/39/93/387223993.db2.gz MQFYDCIFDYLMIN-UWVGGRQHSA-N 2 2 218.366 0.524 40 0 BCABLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000031993139 387515544 /nfs/dbraw/zinc/51/55/44/387515544.db2.gz UYGPZUYIEBHOSC-JTQLQIEISA-N 2 2 208.309 0.950 40 0 BCABLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000031993139 387515548 /nfs/dbraw/zinc/51/55/48/387515548.db2.gz UYGPZUYIEBHOSC-JTQLQIEISA-N 2 2 208.309 0.950 40 0 BCABLP [NH3+]CCOc1cccc(C[NH+]2CCOCC2)c1 ZINC000041270948 387799012 /nfs/dbraw/zinc/79/90/12/387799012.db2.gz OBJYDURAXVCDEK-UHFFFAOYSA-N 2 2 236.315 0.856 40 0 BCABLP Cc1cnn(C)c1C[NH2+]CCC[NH+](C)C ZINC000256053791 387863488 /nfs/dbraw/zinc/86/34/88/387863488.db2.gz SWJYEXBRBMAOMW-UHFFFAOYSA-N 2 2 210.325 0.770 40 0 BCABLP CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000123797664 168177764 /nfs/dbraw/zinc/17/77/64/168177764.db2.gz PGAIBNQYIRKFMY-UHFFFAOYSA-N 2 2 239.363 0.492 40 0 BCABLP CCOC(=O)CC[NH2+]CCC[NH+]1CCOCC1 ZINC000036667758 170209692 /nfs/dbraw/zinc/20/96/92/170209692.db2.gz SEBMOPXGIBQMCM-UHFFFAOYSA-N 2 2 244.335 0.252 40 0 BCABLP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC000255190649 173722346 /nfs/dbraw/zinc/72/23/46/173722346.db2.gz YODDABYWEYCPEK-ZJUUUORDSA-N 2 2 212.293 0.233 40 0 BCABLP COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC000255190649 173722348 /nfs/dbraw/zinc/72/23/48/173722348.db2.gz YODDABYWEYCPEK-ZJUUUORDSA-N 2 2 212.293 0.233 40 0 BCABLP C[C@H](c1cnccn1)[NH+]1CCC([NH3+])CC1 ZINC000070026252 177051256 /nfs/dbraw/zinc/05/12/56/177051256.db2.gz PWNCOMMDMWJVDS-SECBINFHSA-N 2 2 206.293 0.961 40 0 BCABLP C[C@H]1CCCCN1C(=O)C[NH2+]CCC[NH+](C)C ZINC000026439526 177072524 /nfs/dbraw/zinc/07/25/24/177072524.db2.gz QWOPQOICJRKEKY-LBPRGKRZSA-N 2 2 241.379 0.929 40 0 BCABLP CC(C)CNc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000258975946 342811519 /nfs/dbraw/zinc/81/15/19/342811519.db2.gz ODHBIDDCCUAJRV-UHFFFAOYSA-N 2 2 235.335 0.954 40 0 BCABLP CN(C)c1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000259031604 342824257 /nfs/dbraw/zinc/82/42/57/342824257.db2.gz TVMOOIKKQFOCBL-UHFFFAOYSA-N 2 2 221.308 0.342 40 0 BCABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(F)cc1 ZINC000022075000 136277951 /nfs/dbraw/zinc/27/79/51/136277951.db2.gz ROQCIGNOKGYAFP-JTQLQIEISA-N 2 2 226.295 0.886 40 0 BCABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(F)cc1 ZINC000022074998 136278030 /nfs/dbraw/zinc/27/80/30/136278030.db2.gz ROQCIGNOKGYAFP-SNVBAGLBSA-N 2 2 226.295 0.886 40 0 BCABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccncc1 ZINC000022074989 136278146 /nfs/dbraw/zinc/27/81/46/136278146.db2.gz ACMBNIYXLBUBAT-JTQLQIEISA-N 2 2 209.293 0.142 40 0 BCABLP COC(=O)[C@@H](C)C[NH2+]CC[NH+]1CCCCC1 ZINC000047219164 343559862 /nfs/dbraw/zinc/55/98/62/343559862.db2.gz ONPAOCJDMSHNKS-NSHDSACASA-N 2 2 228.336 0.871 40 0 BCABLP [NH3+]CC1CC[NH+](CC(=O)C(F)(F)F)CC1 ZINC000409422999 343814354 /nfs/dbraw/zinc/81/43/54/343814354.db2.gz KPWQIISMKPKUSV-UHFFFAOYSA-N 2 2 224.226 0.789 40 0 BCABLP CO[C@H]1CCOC2(CC[NH+](CC[NH3+])CC2)C1 ZINC000409431570 343824035 /nfs/dbraw/zinc/82/40/35/343824035.db2.gz SPMQPIPHQMMXKH-NSHDSACASA-N 2 2 228.336 0.605 40 0 BCABLP C[NH+]1C[C@@H]2CN(c3cc(N)nc[nH+]3)C[C@H]2C1 ZINC000409432034 343825144 /nfs/dbraw/zinc/82/51/44/343825144.db2.gz SQSGUNWPRZUINH-RKDXNWHRSA-N 2 2 219.292 0.057 40 0 BCABLP CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000409432590 343827048 /nfs/dbraw/zinc/82/70/48/343827048.db2.gz WIAJSBFWWOOXQS-AOOOYVTPSA-N 2 2 233.319 0.516 40 0 BCABLP CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000409432590 343827050 /nfs/dbraw/zinc/82/70/50/343827050.db2.gz WIAJSBFWWOOXQS-AOOOYVTPSA-N 2 2 233.319 0.516 40 0 BCABLP CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]cn1 ZINC000409432590 343827052 /nfs/dbraw/zinc/82/70/52/343827052.db2.gz WIAJSBFWWOOXQS-AOOOYVTPSA-N 2 2 233.319 0.516 40 0 BCABLP CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]cn1 ZINC000409432590 343827055 /nfs/dbraw/zinc/82/70/55/343827055.db2.gz WIAJSBFWWOOXQS-AOOOYVTPSA-N 2 2 233.319 0.516 40 0 BCABLP CNc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc[nH+]1 ZINC000409432591 343827160 /nfs/dbraw/zinc/82/71/60/343827160.db2.gz WIAJSBFWWOOXQS-NXEZZACHSA-N 2 2 233.319 0.516 40 0 BCABLP CNc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)[nH+]cn1 ZINC000409432591 343827164 /nfs/dbraw/zinc/82/71/64/343827164.db2.gz WIAJSBFWWOOXQS-NXEZZACHSA-N 2 2 233.319 0.516 40 0 BCABLP [NH3+]CC[N@@H+]1C[C@H](CO)[C@H](c2ccccc2)C1 ZINC000409429006 343804639 /nfs/dbraw/zinc/80/46/39/343804639.db2.gz HFUJPHAOIQSVIL-OLZOCXBDSA-N 2 2 220.316 0.653 40 0 BCABLP [NH3+]CC[N@H+]1C[C@H](CO)[C@H](c2ccccc2)C1 ZINC000409429006 343804641 /nfs/dbraw/zinc/80/46/41/343804641.db2.gz HFUJPHAOIQSVIL-OLZOCXBDSA-N 2 2 220.316 0.653 40 0 BCABLP COC[C@@H]1C[N@H+](CC(=[NH2+])NO)C[C@@H]1C ZINC000409429189 343805199 /nfs/dbraw/zinc/80/51/99/343805199.db2.gz OBZHUIZZQIPULA-YUMQZZPRSA-N 2 2 201.270 0.157 40 0 BCABLP COC[C@@H]1C[N@@H+](CC(=[NH2+])NO)C[C@@H]1C ZINC000409429189 343805200 /nfs/dbraw/zinc/80/52/00/343805200.db2.gz OBZHUIZZQIPULA-YUMQZZPRSA-N 2 2 201.270 0.157 40 0 BCABLP [NH2+]=C(C[N@H+](CC1CC1)C1CCOCC1)NO ZINC000409429963 343807009 /nfs/dbraw/zinc/80/70/09/343807009.db2.gz IATFKQHPDYAEAC-UHFFFAOYSA-N 2 2 227.308 0.833 40 0 BCABLP [NH2+]=C(C[N@@H+](CC1CC1)C1CCOCC1)NO ZINC000409429963 343807011 /nfs/dbraw/zinc/80/70/11/343807011.db2.gz IATFKQHPDYAEAC-UHFFFAOYSA-N 2 2 227.308 0.833 40 0 BCABLP CO[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000409433487 343829015 /nfs/dbraw/zinc/82/90/15/343829015.db2.gz MVRDCEBVQZDTRX-WDEREUQCSA-N 3 2 224.308 0.104 40 0 BCABLP CO[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000409433487 343829017 /nfs/dbraw/zinc/82/90/17/343829017.db2.gz MVRDCEBVQZDTRX-WDEREUQCSA-N 3 2 224.308 0.104 40 0 BCABLP CC(C)C[C@@H]1C[N@H+](CC[NH3+])CC[C@H]1O ZINC000409436050 343836570 /nfs/dbraw/zinc/83/65/70/343836570.db2.gz XVWTZXVRMHWTGH-GHMZBOCLSA-N 2 2 200.326 0.674 40 0 BCABLP CC(C)C[C@@H]1C[N@@H+](CC[NH3+])CC[C@H]1O ZINC000409436050 343836572 /nfs/dbraw/zinc/83/65/72/343836572.db2.gz XVWTZXVRMHWTGH-GHMZBOCLSA-N 2 2 200.326 0.674 40 0 BCABLP CC(C)C[C@H]1C[N@H+](CC[NH3+])CC[C@@H]1O ZINC000409436052 343837011 /nfs/dbraw/zinc/83/70/11/343837011.db2.gz XVWTZXVRMHWTGH-QWRGUYRKSA-N 2 2 200.326 0.674 40 0 BCABLP CC(C)C[C@H]1C[N@@H+](CC[NH3+])CC[C@@H]1O ZINC000409436052 343837013 /nfs/dbraw/zinc/83/70/13/343837013.db2.gz XVWTZXVRMHWTGH-QWRGUYRKSA-N 2 2 200.326 0.674 40 0 BCABLP [NH3+]CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000044514324 259413452 /nfs/dbraw/zinc/41/34/52/259413452.db2.gz WNTAKTMZHRNOFP-UHFFFAOYSA-N 3 2 208.309 0.554 40 0 BCABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000096217247 180644832 /nfs/dbraw/zinc/64/48/32/180644832.db2.gz ICYLAEFZVFSHTL-ZDUSSCGKSA-N 2 2 234.347 0.996 40 0 BCABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000096217247 180644835 /nfs/dbraw/zinc/64/48/35/180644835.db2.gz ICYLAEFZVFSHTL-ZDUSSCGKSA-N 2 2 234.347 0.996 40 0 BCABLP C(c1nnc2n1CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000306143876 352983426 /nfs/dbraw/zinc/98/34/26/352983426.db2.gz YPCZJTYILRDOSX-UHFFFAOYSA-N 2 2 235.335 0.410 40 0 BCABLP CC(=O)N1CCCC[C@H]1C[N@H+](C)CC[NH3+] ZINC000079405594 384132525 /nfs/dbraw/zinc/13/25/25/384132525.db2.gz ITSZHSZFIOHRKQ-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC[NH3+] ZINC000079405594 384132528 /nfs/dbraw/zinc/13/25/28/384132528.db2.gz ITSZHSZFIOHRKQ-NSHDSACASA-N 2 2 213.325 0.278 40 0 BCABLP CC(=O)N(C(C)C)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079416808 384138495 /nfs/dbraw/zinc/13/84/95/384138495.db2.gz GPMVSXCFDHSJSY-GFCCVEGCSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C(C)C)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079416808 384138501 /nfs/dbraw/zinc/13/85/01/384138501.db2.gz GPMVSXCFDHSJSY-GFCCVEGCSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079416877 384139559 /nfs/dbraw/zinc/13/95/59/384139559.db2.gz YIEFKINCNRFIIA-GFCCVEGCSA-N 2 2 239.363 0.668 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079416877 384139562 /nfs/dbraw/zinc/13/95/62/384139562.db2.gz YIEFKINCNRFIIA-GFCCVEGCSA-N 2 2 239.363 0.668 40 0 BCABLP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000082303945 384302508 /nfs/dbraw/zinc/30/25/08/384302508.db2.gz AYAKQPOECJQZHE-PHIMTYICSA-N 2 2 206.293 0.071 40 0 BCABLP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000082303945 384302517 /nfs/dbraw/zinc/30/25/17/384302517.db2.gz AYAKQPOECJQZHE-PHIMTYICSA-N 2 2 206.293 0.071 40 0 BCABLP C[C@H]([NH3+])C(=O)N1CCc2c([nH+]cn2C2CC2)C1 ZINC000096511401 385253100 /nfs/dbraw/zinc/25/31/00/385253100.db2.gz AXPLMHOEJDVGTM-QMMMGPOBSA-N 2 2 234.303 0.450 40 0 BCABLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000019843145 385296745 /nfs/dbraw/zinc/29/67/45/385296745.db2.gz GOWPLMKBVLQQDD-LLVKDONJSA-N 2 2 239.363 0.716 40 0 BCABLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000019843145 385296752 /nfs/dbraw/zinc/29/67/52/385296752.db2.gz GOWPLMKBVLQQDD-LLVKDONJSA-N 2 2 239.363 0.716 40 0 BCABLP [NH3+][C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439336 388695710 /nfs/dbraw/zinc/69/57/10/388695710.db2.gz AHHCFMHWJDZCDF-SECBINFHSA-N 2 2 233.319 0.978 40 0 BCABLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[NH2+]1 ZINC000079439498 388695987 /nfs/dbraw/zinc/69/59/87/388695987.db2.gz PSADSZVRLJWYRX-SECBINFHSA-N 2 2 233.319 0.849 40 0 BCABLP C(C[NH+]1CCOCC1)N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225715227 388841359 /nfs/dbraw/zinc/84/13/59/388841359.db2.gz ZDHPVWWAWRIVMT-OLZOCXBDSA-N 2 2 239.363 0.145 40 0 BCABLP COC(=O)C1CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000072233902 132303386 /nfs/dbraw/zinc/30/33/86/132303386.db2.gz SNMXFYAPYDUNHK-UHFFFAOYSA-N 2 2 249.314 0.930 40 0 BCABLP C[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000019517750 132325991 /nfs/dbraw/zinc/32/59/91/132325991.db2.gz UZHXBSXJWIVPEW-SNVBAGLBSA-N 2 2 234.303 0.077 40 0 BCABLP CNc1cc(C)[nH+]c(N2CCC[NH2+]CC2)n1 ZINC000409426732 412304691 /nfs/dbraw/zinc/30/46/91/412304691.db2.gz GBQIISCUZATHDF-UHFFFAOYSA-N 2 2 221.308 0.626 40 0 BCABLP CCn1ccc(C[NH2+]CCC[NH+](C)C)n1 ZINC000256052446 172201547 /nfs/dbraw/zinc/20/15/47/172201547.db2.gz NIZOKONTWPPDPI-UHFFFAOYSA-N 2 2 210.325 0.944 40 0 BCABLP C[NH+]1CCC(n2[nH]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000110752029 173000986 /nfs/dbraw/zinc/00/09/86/173000986.db2.gz VIRMVFXTOBJXAP-UHFFFAOYSA-N 2 2 236.319 0.501 40 0 BCABLP CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000062570175 173077042 /nfs/dbraw/zinc/07/70/42/173077042.db2.gz OKOYEHLBYYBZKI-FOSCPWQOSA-N 2 2 209.337 0.517 40 0 BCABLP O=N[N+](=O)[C@@H]1CCCCC1[NH+]1CCOCC1 ZINC000017196703 342921939 /nfs/dbraw/zinc/92/19/39/342921939.db2.gz HHUUFRZTQZFING-SNVBAGLBSA-N 2 2 229.280 0.085 40 0 BCABLP COC(=O)[C@@H](C)C[NH2+]CC[NH+]1CCCC1 ZINC000047219160 343559673 /nfs/dbraw/zinc/55/96/73/343559673.db2.gz CGLHPTMGLYTFRV-JTQLQIEISA-N 2 2 214.309 0.481 40 0 BCABLP COC(=O)[C@@H](C)C[NH2+]CCCn1cc[nH+]c1 ZINC000047219180 343559871 /nfs/dbraw/zinc/55/98/71/343559871.db2.gz YMFYIOWJZXPKPG-JTQLQIEISA-N 2 2 225.292 0.672 40 0 BCABLP C[NH+](C)CC(C[NH+](C)C)c1cnccn1 ZINC000204919603 343588805 /nfs/dbraw/zinc/58/88/05/343588805.db2.gz KLEATABEPNMWLX-UHFFFAOYSA-N 2 2 208.309 0.683 40 0 BCABLP C[NH2+][C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000050269856 259369972 /nfs/dbraw/zinc/36/99/72/259369972.db2.gz MPHMEMJPCGSJKD-VIFPVBQESA-N 2 2 210.277 0.923 40 0 BCABLP CCCCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000049279511 343781946 /nfs/dbraw/zinc/78/19/46/343781946.db2.gz FGTGUTVWLJAPIZ-UHFFFAOYSA-N 2 2 213.325 0.326 40 0 BCABLP [NH3+]CC[N@@H+]1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000409429005 343804722 /nfs/dbraw/zinc/80/47/22/343804722.db2.gz HFUJPHAOIQSVIL-CHWSQXEVSA-N 2 2 220.316 0.653 40 0 BCABLP [NH3+]CC[N@H+]1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000409429005 343804723 /nfs/dbraw/zinc/80/47/23/343804723.db2.gz HFUJPHAOIQSVIL-CHWSQXEVSA-N 2 2 220.316 0.653 40 0 BCABLP CO[C@H]1CCO[C@@]2(CC[N@H+](CC[NH3+])C2)C1 ZINC000409436124 343837363 /nfs/dbraw/zinc/83/73/63/343837363.db2.gz YGUKYQSWIUCBHE-QWRGUYRKSA-N 2 2 214.309 0.215 40 0 BCABLP CO[C@H]1CCO[C@@]2(CC[N@@H+](CC[NH3+])C2)C1 ZINC000409436124 343837365 /nfs/dbraw/zinc/83/73/65/343837365.db2.gz YGUKYQSWIUCBHE-QWRGUYRKSA-N 2 2 214.309 0.215 40 0 BCABLP CCNc1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC000258846036 345785786 /nfs/dbraw/zinc/78/57/86/345785786.db2.gz AYTOWMKVSKFGCZ-UHFFFAOYSA-N 2 2 221.308 0.836 40 0 BCABLP CCNc1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC000258846036 345785788 /nfs/dbraw/zinc/78/57/88/345785788.db2.gz AYTOWMKVSKFGCZ-UHFFFAOYSA-N 2 2 221.308 0.836 40 0 BCABLP CC(=O)N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000200724534 346451476 /nfs/dbraw/zinc/45/14/76/346451476.db2.gz HJCJYDHOVTZMKU-JTQLQIEISA-N 2 2 211.309 0.030 40 0 BCABLP CC(=O)N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000200724534 346451477 /nfs/dbraw/zinc/45/14/77/346451477.db2.gz HJCJYDHOVTZMKU-JTQLQIEISA-N 2 2 211.309 0.030 40 0 BCABLP C[NH+]1CC2C[NH+](C)CC(C1)C2(O)c1ccccc1 ZINC000001563749 368647852 /nfs/dbraw/zinc/64/78/52/368647852.db2.gz SIFOVEHUCPLZEK-UHFFFAOYSA-N 2 2 246.354 0.997 40 0 BCABLP CC(C)[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000079406044 384135390 /nfs/dbraw/zinc/13/53/90/384135390.db2.gz MXPDZVIWYDOATO-UHFFFAOYSA-N 2 2 200.326 0.783 40 0 BCABLP CC(C)[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000079406044 384135395 /nfs/dbraw/zinc/13/53/95/384135395.db2.gz MXPDZVIWYDOATO-UHFFFAOYSA-N 2 2 200.326 0.783 40 0 BCABLP CC(=O)N(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(C)C ZINC000079416798 384139314 /nfs/dbraw/zinc/13/93/14/384139314.db2.gz ZWOYTWYZOOQALI-GFCCVEGCSA-N 2 2 227.352 0.524 40 0 BCABLP CC(=O)N(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(C)C ZINC000079416798 384139321 /nfs/dbraw/zinc/13/93/21/384139321.db2.gz ZWOYTWYZOOQALI-GFCCVEGCSA-N 2 2 227.352 0.524 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(C)C ZINC000079416788 384139893 /nfs/dbraw/zinc/13/98/93/384139893.db2.gz OJSKIRAJHBVJPV-LBPRGKRZSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C[C@@H]1CCC[N@H+]1CC[NH3+])C(C)C ZINC000079416788 384139895 /nfs/dbraw/zinc/13/98/95/384139895.db2.gz OJSKIRAJHBVJPV-LBPRGKRZSA-N 2 2 227.352 0.666 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079416882 384140070 /nfs/dbraw/zinc/14/00/70/384140070.db2.gz YIEFKINCNRFIIA-LBPRGKRZSA-N 2 2 239.363 0.668 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079416882 384140074 /nfs/dbraw/zinc/14/00/74/384140074.db2.gz YIEFKINCNRFIIA-LBPRGKRZSA-N 2 2 239.363 0.668 40 0 BCABLP CC(C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000079418492 384145036 /nfs/dbraw/zinc/14/50/36/384145036.db2.gz UWDGJWVTAZMOIS-UHFFFAOYSA-N 2 2 200.326 0.783 40 0 BCABLP CC(C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000079418492 384145043 /nfs/dbraw/zinc/14/50/43/384145043.db2.gz UWDGJWVTAZMOIS-UHFFFAOYSA-N 2 2 200.326 0.783 40 0 BCABLP c1cn2c(n1)C[NH2+]C[C@@H](C[NH+]1CCCC1)C2 ZINC000096066955 384432276 /nfs/dbraw/zinc/43/22/76/384432276.db2.gz IWOPLAJLHFLLBG-NSHDSACASA-N 2 2 220.320 0.698 40 0 BCABLP c1cn(-c2cc(N3CC[NH2+]CC3)ncn2)c[nH+]1 ZINC000096517263 385314220 /nfs/dbraw/zinc/31/42/20/385314220.db2.gz UPGCRDLQSJWHNT-UHFFFAOYSA-N 2 2 230.275 0.072 40 0 BCABLP CC(C)[C@@H]([NH3+])CC[N@@H+]1CCCN(C)CC1 ZINC000096523795 385268683 /nfs/dbraw/zinc/26/86/83/385268683.db2.gz WVWCPSJSOSQZFK-LBPRGKRZSA-N 2 2 213.369 0.997 40 0 BCABLP CC(C)[C@@H]([NH3+])CC[N@H+]1CCCN(C)CC1 ZINC000096523795 385268687 /nfs/dbraw/zinc/26/86/87/385268687.db2.gz WVWCPSJSOSQZFK-LBPRGKRZSA-N 2 2 213.369 0.997 40 0 BCABLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000218870340 385625501 /nfs/dbraw/zinc/62/55/01/385625501.db2.gz CIMOVVGNJOIJEJ-RYUDHWBXSA-N 2 2 227.352 0.178 40 0 BCABLP [NH3+][C@H]1CCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000218870340 385625509 /nfs/dbraw/zinc/62/55/09/385625509.db2.gz CIMOVVGNJOIJEJ-RYUDHWBXSA-N 2 2 227.352 0.178 40 0 BCABLP O=C1CCC[C@]2(C[NH2+]CC[N@H+](CC3CC3)C2)N1 ZINC000096238341 387024995 /nfs/dbraw/zinc/02/49/95/387024995.db2.gz IEDRWUBZGWCTCY-CYBMUJFWSA-N 2 2 237.347 0.341 40 0 BCABLP O=C1CCC[C@]2(C[NH2+]CC[N@@H+](CC3CC3)C2)N1 ZINC000096238341 387024996 /nfs/dbraw/zinc/02/49/96/387024996.db2.gz IEDRWUBZGWCTCY-CYBMUJFWSA-N 2 2 237.347 0.341 40 0 BCABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000096217244 388616450 /nfs/dbraw/zinc/61/64/50/388616450.db2.gz ICYLAEFZVFSHTL-CYBMUJFWSA-N 2 2 234.347 0.996 40 0 BCABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000096217244 388616453 /nfs/dbraw/zinc/61/64/53/388616453.db2.gz ICYLAEFZVFSHTL-CYBMUJFWSA-N 2 2 234.347 0.996 40 0 BCABLP CNc1cc(C)[nH+]c(N2CC[NH+](C)CC2)n1 ZINC000050848600 132359425 /nfs/dbraw/zinc/35/94/25/132359425.db2.gz ITTQVZXMHCLXEC-UHFFFAOYSA-N 2 2 221.308 0.579 40 0 BCABLP CCn1cc(C[NH+]2CCC([NH3+])CC2)cn1 ZINC000050530784 172161599 /nfs/dbraw/zinc/16/15/99/172161599.db2.gz KIJJQYXPCCXUOQ-UHFFFAOYSA-N 2 2 208.309 0.826 40 0 BCABLP C[NH+]1CCC2(CC1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1S2 ZINC000031771903 173002972 /nfs/dbraw/zinc/00/29/72/173002972.db2.gz WUJYVICVAOOGLA-QWRGUYRKSA-N 3 2 241.404 0.817 40 0 BCABLP C[NH+]1CCC2(CC1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1S2 ZINC000031771903 173002974 /nfs/dbraw/zinc/00/29/74/173002974.db2.gz WUJYVICVAOOGLA-QWRGUYRKSA-N 3 2 241.404 0.817 40 0 BCABLP C[N@@H+]1CCCC[C@H]1c1nnc(CC[NH3+])o1 ZINC000095828879 173009702 /nfs/dbraw/zinc/00/97/02/173009702.db2.gz TYFPDPDTHUSSBE-QMMMGPOBSA-N 2 2 210.281 0.728 40 0 BCABLP C[N@H+]1CCCC[C@H]1c1nnc(CC[NH3+])o1 ZINC000095828879 173009708 /nfs/dbraw/zinc/00/97/08/173009708.db2.gz TYFPDPDTHUSSBE-QMMMGPOBSA-N 2 2 210.281 0.728 40 0 BCABLP C[NH2+]CC[N@H+](C)CCc1c(C)nn(C)c1C ZINC000096523946 173352702 /nfs/dbraw/zinc/35/27/02/173352702.db2.gz VSBLEMININQXCH-UHFFFAOYSA-N 2 2 224.352 0.731 40 0 BCABLP C[NH2+]CC[N@@H+](C)CCc1c(C)nn(C)c1C ZINC000096523946 173352703 /nfs/dbraw/zinc/35/27/03/173352703.db2.gz VSBLEMININQXCH-UHFFFAOYSA-N 2 2 224.352 0.731 40 0 BCABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccnc1 ZINC000022074993 136278183 /nfs/dbraw/zinc/27/81/83/136278183.db2.gz UDQPLXOTTUBTDU-SNVBAGLBSA-N 2 2 209.293 0.142 40 0 BCABLP Cc1c[nH]c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC000049474261 343599642 /nfs/dbraw/zinc/59/96/42/343599642.db2.gz ALGMAWLTZXXENF-UHFFFAOYSA-N 2 2 222.296 0.312 40 0 BCABLP c1nc(N2CC[NH2+]CC2)cc(N2CCC2)[nH+]1 ZINC000409428038 343802505 /nfs/dbraw/zinc/80/25/05/343802505.db2.gz LFDMAIDAQZTORS-UHFFFAOYSA-N 2 2 219.292 0.096 40 0 BCABLP COC[C@H]1C[N@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409426639 343798354 /nfs/dbraw/zinc/79/83/54/343798354.db2.gz CTFQOCXLMBUNPP-HTQZYQBOSA-N 2 2 226.242 0.702 40 0 BCABLP COC[C@H]1C[N@@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409426639 343798356 /nfs/dbraw/zinc/79/83/56/343798356.db2.gz CTFQOCXLMBUNPP-HTQZYQBOSA-N 2 2 226.242 0.702 40 0 BCABLP COC[C@@]1(C(F)(F)F)CC[N@H+](CC[NH3+])C1 ZINC000409432000 343824730 /nfs/dbraw/zinc/82/47/30/343824730.db2.gz KLDYCNUBQDRTPO-MRVPVSSYSA-N 2 2 226.242 0.846 40 0 BCABLP COC[C@@]1(C(F)(F)F)CC[N@@H+](CC[NH3+])C1 ZINC000409432000 343824732 /nfs/dbraw/zinc/82/47/32/343824732.db2.gz KLDYCNUBQDRTPO-MRVPVSSYSA-N 2 2 226.242 0.846 40 0 BCABLP CCO[C@H]1C[NH+](CC[NH3+])C[C@@H]1OCC ZINC000409432101 343824917 /nfs/dbraw/zinc/82/49/17/343824917.db2.gz KVQJBSRVOCUECK-UWVGGRQHSA-N 2 2 202.298 0.071 40 0 BCABLP C[N@H+]1C[C@H]2CN(c3cc(N)nc[nH+]3)C[C@H]2C1 ZINC000409432030 343824929 /nfs/dbraw/zinc/82/49/29/343824929.db2.gz SQSGUNWPRZUINH-DTORHVGOSA-N 2 2 219.292 0.057 40 0 BCABLP C[N@@H+]1C[C@H]2CN(c3cc(N)nc[nH+]3)C[C@H]2C1 ZINC000409432030 343824932 /nfs/dbraw/zinc/82/49/32/343824932.db2.gz SQSGUNWPRZUINH-DTORHVGOSA-N 2 2 219.292 0.057 40 0 BCABLP COCc1cc2n(n1)C[C@H](C)[N@H+](CCC[NH3+])C2 ZINC000409430007 343807273 /nfs/dbraw/zinc/80/72/73/343807273.db2.gz IDEQWIBOGSGYJN-JTQLQIEISA-N 2 2 238.335 0.582 40 0 BCABLP COCc1cc2n(n1)C[C@H](C)[N@@H+](CCC[NH3+])C2 ZINC000409430007 343807274 /nfs/dbraw/zinc/80/72/74/343807274.db2.gz IDEQWIBOGSGYJN-JTQLQIEISA-N 2 2 238.335 0.582 40 0 BCABLP CO[C@H]1CCO[C@]2(CC[N@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434362 343831543 /nfs/dbraw/zinc/83/15/43/343831543.db2.gz OVJDXKKYNXZBCP-GXSJLCMTSA-N 2 2 243.307 0.212 40 0 BCABLP CO[C@H]1CCO[C@]2(CC[N@@H+](CC(=[NH2+])NO)C2)C1 ZINC000409434362 343831544 /nfs/dbraw/zinc/83/15/44/343831544.db2.gz OVJDXKKYNXZBCP-GXSJLCMTSA-N 2 2 243.307 0.212 40 0 BCABLP CN1C[C@@]2(CCC[N@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099364 344131750 /nfs/dbraw/zinc/13/17/50/344131750.db2.gz HQKNYTJASOLAHW-CYBMUJFWSA-N 2 2 248.330 0.474 40 0 BCABLP CN1C[C@@]2(CCC[N@@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099364 344131755 /nfs/dbraw/zinc/13/17/55/344131755.db2.gz HQKNYTJASOLAHW-CYBMUJFWSA-N 2 2 248.330 0.474 40 0 BCABLP C[NH2+]CC(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000585181404 344278067 /nfs/dbraw/zinc/27/80/67/344278067.db2.gz BVBALXBXPKGYRG-SECBINFHSA-N 2 2 222.292 0.253 40 0 BCABLP CCNc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000087831182 345939840 /nfs/dbraw/zinc/93/98/40/345939840.db2.gz NFJSYGRONAUNLT-UHFFFAOYSA-N 2 2 207.281 0.318 40 0 BCABLP Cc1nc(N2CC[C@H]([NH3+])C2)c2c([nH+]1)CCC2 ZINC000096516907 180068460 /nfs/dbraw/zinc/06/84/60/180068460.db2.gz GDLOVUCFCNMELP-VIFPVBQESA-N 2 2 218.304 0.811 40 0 BCABLP [NH3+]C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000019688366 181343790 /nfs/dbraw/zinc/34/37/90/181343790.db2.gz RUBFCNOOLLPFOG-UHFFFAOYSA-N 2 2 239.363 0.858 40 0 BCABLP [NH3+]CC(=O)N1CCc2c([nH+]cn2C2CC2)C1 ZINC000096511399 181349541 /nfs/dbraw/zinc/34/95/41/181349541.db2.gz PTFGIBRVAGYONU-UHFFFAOYSA-N 2 2 220.276 0.061 40 0 BCABLP OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694287 183073034 /nfs/dbraw/zinc/07/30/34/183073034.db2.gz HPBJHXYFXYACJO-UHFFFAOYSA-N 2 2 212.337 0.929 40 0 BCABLP OCC[NH+]1C[C@H]1CCCCC[C@@H]1C[N@H+]1CCO ZINC000005049719 183077288 /nfs/dbraw/zinc/07/72/88/183077288.db2.gz AFWMKYYNHDRCRC-LMRVLLHPSA-N 2 2 242.363 0.290 40 0 BCABLP OCC[NH+]1C[C@H]1CCCCC[C@@H]1C[N@@H+]1CCO ZINC000005049719 183077292 /nfs/dbraw/zinc/07/72/92/183077292.db2.gz AFWMKYYNHDRCRC-LMRVLLHPSA-N 2 2 242.363 0.290 40 0 BCABLP C[N@H+](CC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000054417039 383843947 /nfs/dbraw/zinc/84/39/47/383843947.db2.gz ABETVKYOITZDCF-UHFFFAOYSA-N 2 2 222.288 0.848 40 0 BCABLP C[N@@H+](CC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000054417039 383843958 /nfs/dbraw/zinc/84/39/58/383843958.db2.gz ABETVKYOITZDCF-UHFFFAOYSA-N 2 2 222.288 0.848 40 0 BCABLP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000079408284 384136603 /nfs/dbraw/zinc/13/66/03/384136603.db2.gz ANLXAXZNFOXVLV-JTQLQIEISA-N 2 2 243.351 0.792 40 0 BCABLP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000079408284 384136611 /nfs/dbraw/zinc/13/66/11/384136611.db2.gz ANLXAXZNFOXVLV-JTQLQIEISA-N 2 2 243.351 0.792 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079416842 384139496 /nfs/dbraw/zinc/13/94/96/384139496.db2.gz YBFODSMBDPFQOW-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP CC(=O)N(C[C@H]1CCC[N@H+]1CC[NH3+])C1CC1 ZINC000079416842 384139500 /nfs/dbraw/zinc/13/95/00/384139500.db2.gz YBFODSMBDPFQOW-GFCCVEGCSA-N 2 2 225.336 0.420 40 0 BCABLP c1cc(N2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC000095757359 384391983 /nfs/dbraw/zinc/39/19/83/384391983.db2.gz NRKCRROKAPZYQG-UHFFFAOYSA-N 2 2 204.277 0.764 40 0 BCABLP C1C[C@@H]2C[NH2+]C[C@H](C1)C2[NH+]1CCOCC1 ZINC000019014497 384509279 /nfs/dbraw/zinc/50/92/79/384509279.db2.gz NPYPBCOYBJDVNG-FOSCPWQOSA-N 2 2 210.321 0.707 40 0 BCABLP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000022015308 384724003 /nfs/dbraw/zinc/72/40/03/384724003.db2.gz YODDABYWEYCPEK-VHSXEESVSA-N 2 2 212.293 0.233 40 0 BCABLP COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000022015308 384724011 /nfs/dbraw/zinc/72/40/11/384724011.db2.gz YODDABYWEYCPEK-VHSXEESVSA-N 2 2 212.293 0.233 40 0 BCABLP C=Cc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409430925 385328478 /nfs/dbraw/zinc/32/84/78/385328478.db2.gz ODWVBKSKNVHAPH-UHFFFAOYSA-N 2 2 204.277 0.838 40 0 BCABLP C[NH+](C)CCC[NH2+]Cc1cnc(N)nc1 ZINC000062718375 385727348 /nfs/dbraw/zinc/72/73/48/385727348.db2.gz KSVLBCDPRJTPPO-UHFFFAOYSA-N 2 2 209.297 0.100 40 0 BCABLP C[NH+](C)CCNC(=S)Nc1cc[nH+]cc1 ZINC000225404657 386190913 /nfs/dbraw/zinc/19/09/13/386190913.db2.gz BYMDOYDMUYVABY-UHFFFAOYSA-N 2 2 224.333 0.930 40 0 BCABLP CC[NH+](CC)C[C@H]1CNCc2c[nH+]cn21 ZINC000248270520 386753752 /nfs/dbraw/zinc/75/37/52/386753752.db2.gz VOMSQNQHRMESJA-LLVKDONJSA-N 2 2 208.309 0.869 40 0 BCABLP c1cn(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c[nH+]1 ZINC000096240695 387024472 /nfs/dbraw/zinc/02/44/72/387024472.db2.gz DLQBTNVICVZLOG-NWDGAFQWSA-N 2 2 237.303 0.278 40 0 BCABLP c1cn(C[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)c[nH+]1 ZINC000096250344 387026675 /nfs/dbraw/zinc/02/66/75/387026675.db2.gz AIMYDOCETLBOBD-GARJFASQSA-N 2 2 207.277 0.650 40 0 BCABLP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH3+])C1 ZINC000144038146 387853782 /nfs/dbraw/zinc/85/37/82/387853782.db2.gz UJLDFDMDAGJZSV-SFYZADRCSA-N 2 2 215.297 0.282 40 0 BCABLP c1nc(N[C@H]2CC[NH2+]C2)cc(NC2CC2)[nH+]1 ZINC000079439486 388695831 /nfs/dbraw/zinc/69/58/31/388695831.db2.gz TXEBHEORIRMUON-VIFPVBQESA-N 2 2 219.292 0.825 40 0 BCABLP [NH3+]CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000217512097 132290198 /nfs/dbraw/zinc/29/01/98/132290198.db2.gz ZPSSLXWZGKOWAM-UHFFFAOYSA-N 2 2 221.308 0.838 40 0 BCABLP [NH3+]CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000107213598 322862243 /nfs/dbraw/zinc/86/22/43/322862243.db2.gz BISWLDJALXWRQT-UHFFFAOYSA-N 3 2 211.353 0.895 40 0 BCABLP COCC[N@H+](CCC[NH3+])C1CC[NH+](C)CC1 ZINC000096523782 174290364 /nfs/dbraw/zinc/29/03/64/174290364.db2.gz FLFUDOFFRQJNPN-UHFFFAOYSA-N 3 2 229.368 0.378 40 0 BCABLP COCC[N@@H+](CCC[NH3+])C1CC[NH+](C)CC1 ZINC000096523782 174290366 /nfs/dbraw/zinc/29/03/66/174290366.db2.gz FLFUDOFFRQJNPN-UHFFFAOYSA-N 3 2 229.368 0.378 40 0 BCABLP C[C@H]([C@@H]1CCC[N@@H+]1CC[NH3+])n1cccn1 ZINC000022763104 177030866 /nfs/dbraw/zinc/03/08/66/177030866.db2.gz MPSQJZDDRRZRKC-MNOVXSKESA-N 2 2 208.309 0.867 40 0 BCABLP C[C@H]([C@@H]1CCC[N@H+]1CC[NH3+])n1cccn1 ZINC000022763104 177030868 /nfs/dbraw/zinc/03/08/68/177030868.db2.gz MPSQJZDDRRZRKC-MNOVXSKESA-N 2 2 208.309 0.867 40 0 BCABLP